USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.02 K(o=1.3,f=0.68) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.259 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.206 X(o=-0.12,f=0.052) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.0838 USER MOD Set 3.1: A 16 SER OG : rot 150:sc= 0.101 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0529 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.00029 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0505 USER MOD Single : A 27 SER OG : rot -23:sc= 0.0852 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -152:sc= 0.696 USER MOD Single : A 34 TYR OH : rot 179:sc= 0.0336 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 37 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.43) USER MOD Single : A 45 SER OG : rot 46:sc= 0.0245 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.16) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.00133 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 84 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.0759 X(o=0.076,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.621 -0.334 -0.607 1.00 0.00 N ATOM 2 CA ALA A 1 -2.237 -1.251 -1.718 1.00 0.00 C ATOM 3 C ALA A 1 -0.957 -2.042 -1.388 1.00 0.00 C ATOM 4 O ALA A 1 -0.187 -1.648 -0.510 1.00 0.00 O ATOM 5 CB ALA A 1 -2.092 -0.482 -3.050 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.522 -0.648 -0.193 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.882 -0.346 0.124 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.728 0.633 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.043 -1.975 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.811 -1.176 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.041 -0.008 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.321 0.282 -2.947 1.00 0.00 H new ATOM 13 N VAL A 2 -0.721 -3.158 -2.093 1.00 0.00 N ATOM 14 CA VAL A 2 0.473 -4.029 -1.960 1.00 0.00 C ATOM 15 C VAL A 2 1.084 -4.376 -3.327 1.00 0.00 C ATOM 16 O VAL A 2 0.421 -4.279 -4.362 1.00 0.00 O ATOM 17 CB VAL A 2 0.168 -5.319 -1.162 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.192 -5.010 0.296 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.954 -6.167 -1.775 1.00 0.00 C ATOM 0 H VAL A 2 -1.375 -3.498 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 2 1.208 -3.454 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 2 1.091 -5.898 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.400 -5.940 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.642 -4.498 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.075 -4.371 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.114 -7.055 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.873 -5.582 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.673 -6.467 -2.785 1.00 0.00 H new ATOM 29 N GLU A 3 2.351 -4.798 -3.329 1.00 0.00 N ATOM 30 CA GLU A 3 3.120 -5.209 -4.514 1.00 0.00 C ATOM 31 C GLU A 3 3.703 -6.631 -4.369 1.00 0.00 C ATOM 32 O GLU A 3 3.859 -7.141 -3.255 1.00 0.00 O ATOM 33 CB GLU A 3 4.209 -4.163 -4.806 1.00 0.00 C ATOM 34 CG GLU A 3 5.272 -4.029 -3.707 1.00 0.00 C ATOM 35 CD GLU A 3 6.264 -2.900 -4.043 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.063 -1.752 -3.578 1.00 0.00 O ATOM 37 OE2 GLU A 3 7.257 -3.155 -4.770 1.00 0.00 O ATOM 0 H GLU A 3 2.895 -4.867 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 3 2.443 -5.255 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.703 -4.423 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.734 -3.193 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.790 -3.824 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.809 -4.971 -3.597 1.00 0.00 H new ATOM 44 N VAL A 4 4.022 -7.278 -5.500 1.00 0.00 N ATOM 45 CA VAL A 4 4.522 -8.667 -5.570 1.00 0.00 C ATOM 46 C VAL A 4 5.707 -8.746 -6.545 1.00 0.00 C ATOM 47 O VAL A 4 5.764 -8.003 -7.524 1.00 0.00 O ATOM 48 CB VAL A 4 3.384 -9.640 -5.976 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.821 -11.113 -5.946 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.162 -9.528 -5.051 1.00 0.00 C ATOM 0 H VAL A 4 3.938 -6.841 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 4 4.872 -8.971 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 4 3.128 -9.342 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.984 -11.747 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.649 -11.261 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.141 -11.377 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.394 -10.229 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.457 -9.763 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.767 -8.513 -5.091 1.00 0.00 H new ATOM 60 N GLU A 5 6.640 -9.675 -6.308 1.00 0.00 N ATOM 61 CA GLU A 5 7.845 -9.941 -7.123 1.00 0.00 C ATOM 62 C GLU A 5 7.555 -10.634 -8.482 1.00 0.00 C ATOM 63 O GLU A 5 8.209 -11.603 -8.875 1.00 0.00 O ATOM 64 CB GLU A 5 8.895 -10.671 -6.257 1.00 0.00 C ATOM 65 CG GLU A 5 8.419 -12.009 -5.664 1.00 0.00 C ATOM 66 CD GLU A 5 9.543 -12.679 -4.849 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.659 -12.404 -3.629 1.00 0.00 O ATOM 68 OE2 GLU A 5 10.311 -13.495 -5.414 1.00 0.00 O ATOM 0 H GLU A 5 6.578 -10.297 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 5 8.262 -8.982 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.783 -10.853 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.194 -10.013 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.552 -11.841 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.100 -12.674 -6.466 1.00 0.00 H new ATOM 75 N VAL A 6 6.545 -10.138 -9.205 1.00 0.00 N ATOM 76 CA VAL A 6 6.070 -10.665 -10.498 1.00 0.00 C ATOM 77 C VAL A 6 7.108 -10.515 -11.632 1.00 0.00 C ATOM 78 O VAL A 6 7.416 -11.532 -12.264 1.00 0.00 O ATOM 79 CB VAL A 6 4.691 -10.058 -10.849 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.255 -10.317 -12.297 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.612 -10.648 -9.934 1.00 0.00 C ATOM 0 H VAL A 6 6.012 -9.325 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 6 5.939 -11.742 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 6 4.801 -8.982 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.280 -9.862 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.985 -9.882 -12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.191 -11.391 -12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.644 -10.216 -10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.573 -11.729 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.851 -10.419 -8.895 1.00 0.00 H new ATOM 91 N PRO A 7 7.672 -9.318 -11.923 1.00 0.00 N ATOM 92 CA PRO A 7 8.690 -9.162 -12.963 1.00 0.00 C ATOM 93 C PRO A 7 10.102 -9.553 -12.483 1.00 0.00 C ATOM 94 O PRO A 7 10.365 -9.723 -11.288 1.00 0.00 O ATOM 95 CB PRO A 7 8.629 -7.686 -13.363 1.00 0.00 C ATOM 96 CG PRO A 7 8.309 -7.016 -12.029 1.00 0.00 C ATOM 97 CD PRO A 7 7.339 -8.006 -11.376 1.00 0.00 C ATOM 0 HA PRO A 7 8.491 -9.829 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.573 -7.336 -13.781 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.859 -7.496 -14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.204 -6.869 -11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.854 -6.035 -12.168 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.445 -7.998 -10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.305 -7.742 -11.597 1.00 0.00 H new ATOM 105 N GLY A 8 11.026 -9.650 -13.442 1.00 0.00 N ATOM 106 CA GLY A 8 12.459 -9.904 -13.220 1.00 0.00 C ATOM 107 C GLY A 8 13.100 -10.777 -14.308 1.00 0.00 C ATOM 108 O GLY A 8 12.462 -11.695 -14.827 1.00 0.00 O ATOM 0 H GLY A 8 10.793 -9.551 -14.430 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.986 -8.951 -13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.589 -10.389 -12.252 1.00 0.00 H new ATOM 112 N LEU A 9 14.363 -10.489 -14.662 1.00 0.00 N ATOM 113 CA LEU A 9 15.153 -11.269 -15.636 1.00 0.00 C ATOM 114 C LEU A 9 16.655 -11.381 -15.282 1.00 0.00 C ATOM 115 O LEU A 9 17.508 -11.432 -16.169 1.00 0.00 O ATOM 116 CB LEU A 9 14.829 -10.829 -17.086 1.00 0.00 C ATOM 117 CG LEU A 9 14.989 -9.346 -17.478 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.436 -8.875 -17.605 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.322 -9.092 -18.829 1.00 0.00 C ATOM 0 H LEU A 9 14.874 -9.696 -14.275 1.00 0.00 H new ATOM 0 HA LEU A 9 14.834 -12.309 -15.569 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.460 -11.415 -17.755 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.797 -11.113 -17.292 1.00 0.00 H new ATOM 0 HG LEU A 9 14.524 -8.790 -16.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.453 -7.821 -17.883 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.946 -9.006 -16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.943 -9.461 -18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.438 -8.043 -19.101 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.790 -9.718 -19.589 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.261 -9.334 -18.762 1.00 0.00 H new ATOM 131 N LEU A 10 16.979 -11.454 -13.980 1.00 0.00 N ATOM 132 CA LEU A 10 18.343 -11.736 -13.514 1.00 0.00 C ATOM 133 C LEU A 10 18.791 -13.091 -14.071 1.00 0.00 C ATOM 134 O LEU A 10 18.150 -14.118 -13.823 1.00 0.00 O ATOM 135 CB LEU A 10 18.433 -11.739 -11.972 1.00 0.00 C ATOM 136 CG LEU A 10 18.463 -10.340 -11.327 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.875 -10.376 -9.916 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.889 -9.801 -11.198 1.00 0.00 C ATOM 0 H LEU A 10 16.305 -11.320 -13.226 1.00 0.00 H new ATOM 0 HA LEU A 10 19.001 -10.946 -13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.582 -12.290 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.331 -12.281 -11.675 1.00 0.00 H new ATOM 0 HG LEU A 10 17.876 -9.696 -11.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.908 -9.376 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.841 -10.718 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.456 -11.059 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.864 -8.813 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.478 -10.475 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.342 -9.730 -12.187 1.00 0.00 H new ATOM 150 N THR A 11 19.905 -13.073 -14.798 1.00 0.00 N ATOM 151 CA THR A 11 20.567 -14.268 -15.322 1.00 0.00 C ATOM 152 C THR A 11 22.028 -14.305 -14.886 1.00 0.00 C ATOM 153 O THR A 11 22.720 -13.285 -14.855 1.00 0.00 O ATOM 154 CB THR A 11 20.429 -14.362 -16.851 1.00 0.00 C ATOM 155 OG1 THR A 11 19.069 -14.569 -17.190 1.00 0.00 O ATOM 156 CG2 THR A 11 21.220 -15.524 -17.453 1.00 0.00 C ATOM 0 H THR A 11 20.385 -12.208 -15.046 1.00 0.00 H new ATOM 0 HA THR A 11 20.070 -15.143 -14.903 1.00 0.00 H new ATOM 0 HB THR A 11 20.820 -13.426 -17.251 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.980 -14.627 -18.164 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.082 -15.537 -18.534 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.278 -15.401 -17.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.864 -16.464 -17.031 1.00 0.00 H new ATOM 164 N ASP A 12 22.499 -15.502 -14.552 1.00 0.00 N ATOM 165 CA ASP A 12 23.887 -15.833 -14.241 1.00 0.00 C ATOM 166 C ASP A 12 24.773 -15.844 -15.505 1.00 0.00 C ATOM 167 O ASP A 12 25.393 -16.851 -15.855 1.00 0.00 O ATOM 168 CB ASP A 12 23.930 -17.148 -13.441 1.00 0.00 C ATOM 169 CG ASP A 12 23.381 -18.375 -14.201 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.220 -18.332 -14.683 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.078 -19.418 -14.263 1.00 0.00 O ATOM 0 H ASP A 12 21.887 -16.315 -14.487 1.00 0.00 H new ATOM 0 HA ASP A 12 24.315 -15.053 -13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.961 -17.348 -13.149 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.358 -17.019 -12.522 1.00 0.00 H new ATOM 176 N HIS A 13 24.864 -14.699 -16.196 1.00 0.00 N ATOM 177 CA HIS A 13 25.788 -14.466 -17.318 1.00 0.00 C ATOM 178 C HIS A 13 27.212 -14.188 -16.794 1.00 0.00 C ATOM 179 O HIS A 13 27.905 -13.267 -17.233 1.00 0.00 O ATOM 180 CB HIS A 13 25.235 -13.367 -18.251 1.00 0.00 C ATOM 181 CG HIS A 13 24.073 -13.779 -19.127 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.909 -13.028 -19.332 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.027 -14.886 -19.925 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.192 -13.702 -20.248 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.836 -14.823 -20.616 1.00 0.00 N ATOM 0 H HIS A 13 24.283 -13.888 -15.986 1.00 0.00 H new ATOM 0 HA HIS A 13 25.865 -15.366 -17.928 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.924 -12.519 -17.640 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.045 -13.018 -18.892 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.777 -15.660 -20.000 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.234 -13.387 -20.634 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.501 -15.510 -21.291 1.00 0.00 H new ATOM 193 N THR A 14 27.643 -14.978 -15.805 1.00 0.00 N ATOM 194 CA THR A 14 28.889 -14.804 -15.059 1.00 0.00 C ATOM 195 C THR A 14 29.672 -16.121 -14.931 1.00 0.00 C ATOM 196 O THR A 14 29.088 -17.171 -14.653 1.00 0.00 O ATOM 197 CB THR A 14 28.643 -14.156 -13.683 1.00 0.00 C ATOM 198 OG1 THR A 14 27.771 -14.933 -12.896 1.00 0.00 O ATOM 199 CG2 THR A 14 28.003 -12.768 -13.749 1.00 0.00 C ATOM 0 H THR A 14 27.110 -15.789 -15.491 1.00 0.00 H new ATOM 0 HA THR A 14 29.510 -14.118 -15.635 1.00 0.00 H new ATOM 0 HB THR A 14 29.642 -14.082 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.748 -14.576 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.864 -12.383 -12.739 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.652 -12.094 -14.308 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.036 -12.837 -14.247 1.00 0.00 H new ATOM 207 N VAL A 15 30.997 -16.087 -15.166 1.00 0.00 N ATOM 208 CA VAL A 15 31.865 -17.289 -15.298 1.00 0.00 C ATOM 209 C VAL A 15 33.193 -17.195 -14.517 1.00 0.00 C ATOM 210 O VAL A 15 34.224 -17.738 -14.921 1.00 0.00 O ATOM 211 CB VAL A 15 32.083 -17.688 -16.779 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.747 -18.083 -17.418 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.724 -16.608 -17.656 1.00 0.00 C ATOM 0 H VAL A 15 31.510 -15.212 -15.273 1.00 0.00 H new ATOM 0 HA VAL A 15 31.312 -18.097 -14.820 1.00 0.00 H new ATOM 0 HB VAL A 15 32.785 -18.521 -16.739 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.910 -18.362 -18.459 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.321 -18.929 -16.878 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.058 -17.239 -17.372 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.834 -16.984 -18.673 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.090 -15.721 -17.663 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.705 -16.349 -17.256 1.00 0.00 H new ATOM 223 N SER A 16 33.150 -16.527 -13.359 1.00 0.00 N ATOM 224 CA SER A 16 34.310 -16.241 -12.491 1.00 0.00 C ATOM 225 C SER A 16 34.089 -16.749 -11.063 1.00 0.00 C ATOM 226 O SER A 16 32.963 -16.730 -10.580 1.00 0.00 O ATOM 227 CB SER A 16 34.579 -14.731 -12.510 1.00 0.00 C ATOM 228 OG SER A 16 35.242 -14.309 -11.330 1.00 0.00 O ATOM 0 H SER A 16 32.278 -16.155 -12.982 1.00 0.00 H new ATOM 0 HA SER A 16 35.182 -16.771 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.185 -14.479 -13.380 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.636 -14.193 -12.612 1.00 0.00 H new ATOM 0 HG SER A 16 35.809 -13.535 -11.532 1.00 0.00 H new ATOM 234 N SER A 17 35.151 -17.126 -10.341 1.00 0.00 N ATOM 235 CA SER A 17 35.062 -17.577 -8.938 1.00 0.00 C ATOM 236 C SER A 17 34.429 -16.529 -8.004 1.00 0.00 C ATOM 237 O SER A 17 33.694 -16.887 -7.085 1.00 0.00 O ATOM 238 CB SER A 17 36.456 -17.945 -8.413 1.00 0.00 C ATOM 239 OG SER A 17 37.066 -18.917 -9.253 1.00 0.00 O ATOM 0 H SER A 17 36.102 -17.129 -10.710 1.00 0.00 H new ATOM 0 HA SER A 17 34.409 -18.450 -8.936 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.080 -17.053 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.378 -18.332 -7.397 1.00 0.00 H new ATOM 0 HG SER A 17 37.955 -19.139 -8.905 1.00 0.00 H new ATOM 245 N ILE A 18 34.665 -15.235 -8.271 1.00 0.00 N ATOM 246 CA ILE A 18 33.982 -14.101 -7.612 1.00 0.00 C ATOM 247 C ILE A 18 32.741 -13.640 -8.386 1.00 0.00 C ATOM 248 O ILE A 18 31.708 -13.389 -7.777 1.00 0.00 O ATOM 249 CB ILE A 18 34.939 -12.910 -7.341 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.050 -12.807 -8.406 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.521 -13.018 -5.923 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.801 -11.487 -8.477 1.00 0.00 C ATOM 0 H ILE A 18 35.350 -14.937 -8.965 1.00 0.00 H new ATOM 0 HA ILE A 18 33.646 -14.476 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 18 34.362 -11.988 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.773 -13.602 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.606 -13.000 -9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.192 -12.179 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.710 -13.000 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.074 -13.952 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.555 -11.539 -9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.101 -10.682 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.287 -11.293 -7.521 1.00 0.00 H new ATOM 264 N GLY A 19 32.782 -13.553 -9.720 1.00 0.00 N ATOM 265 CA GLY A 19 31.636 -13.046 -10.498 1.00 0.00 C ATOM 266 C GLY A 19 30.403 -13.963 -10.473 1.00 0.00 C ATOM 267 O GLY A 19 29.271 -13.482 -10.514 1.00 0.00 O ATOM 0 H GLY A 19 33.588 -13.824 -10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.354 -12.066 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.948 -12.903 -11.533 1.00 0.00 H new ATOM 271 N HIS A 20 30.599 -15.276 -10.321 1.00 0.00 N ATOM 272 CA HIS A 20 29.525 -16.247 -10.069 1.00 0.00 C ATOM 273 C HIS A 20 28.893 -16.039 -8.685 1.00 0.00 C ATOM 274 O HIS A 20 27.673 -16.112 -8.540 1.00 0.00 O ATOM 275 CB HIS A 20 30.071 -17.676 -10.194 1.00 0.00 C ATOM 276 CG HIS A 20 29.024 -18.744 -9.976 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.082 -19.166 -10.920 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.850 -19.460 -8.826 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.363 -20.128 -10.316 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.804 -20.326 -9.060 1.00 0.00 N ATOM 0 H HIS A 20 31.524 -15.703 -10.370 1.00 0.00 H new ATOM 0 HA HIS A 20 28.747 -16.092 -10.816 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.508 -17.804 -11.184 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.875 -17.814 -9.471 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.420 -19.366 -7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.546 -20.666 -10.774 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.428 -21.002 -8.395 1.00 0.00 H new ATOM 288 N ASP A 21 29.699 -15.704 -7.670 1.00 0.00 N ATOM 289 CA ASP A 21 29.200 -15.416 -6.326 1.00 0.00 C ATOM 290 C ASP A 21 28.490 -14.057 -6.276 1.00 0.00 C ATOM 291 O ASP A 21 27.473 -13.942 -5.591 1.00 0.00 O ATOM 292 CB ASP A 21 30.341 -15.494 -5.297 1.00 0.00 C ATOM 293 CG ASP A 21 30.767 -16.927 -4.908 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.660 -17.057 -4.035 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.197 -17.926 -5.412 1.00 0.00 O ATOM 0 H ASP A 21 30.712 -15.626 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 21 28.462 -16.175 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.208 -14.968 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.035 -14.964 -4.395 1.00 0.00 H new ATOM 300 N PHE A 22 28.951 -13.045 -7.031 1.00 0.00 N ATOM 301 CA PHE A 22 28.264 -11.750 -7.136 1.00 0.00 C ATOM 302 C PHE A 22 26.821 -11.926 -7.595 1.00 0.00 C ATOM 303 O PHE A 22 25.936 -11.319 -7.010 1.00 0.00 O ATOM 304 CB PHE A 22 28.998 -10.808 -8.102 1.00 0.00 C ATOM 305 CG PHE A 22 28.382 -9.418 -8.194 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.856 -8.351 -7.408 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.295 -9.199 -9.060 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.277 -7.074 -7.520 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.692 -7.934 -9.153 1.00 0.00 C ATOM 310 CZ PHE A 22 27.196 -6.866 -8.395 1.00 0.00 C ATOM 0 H PHE A 22 29.807 -13.103 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 22 28.265 -11.306 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.036 -10.714 -7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 22 29.008 -11.257 -9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.668 -8.514 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.920 -10.014 -9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.663 -6.253 -6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.844 -7.784 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.754 -5.885 -8.484 1.00 0.00 H new ATOM 320 N TYR A 23 26.571 -12.783 -8.593 1.00 0.00 N ATOM 321 CA TYR A 23 25.211 -13.075 -9.059 1.00 0.00 C ATOM 322 C TYR A 23 24.289 -13.498 -7.901 1.00 0.00 C ATOM 323 O TYR A 23 23.251 -12.873 -7.672 1.00 0.00 O ATOM 324 CB TYR A 23 25.242 -14.159 -10.147 1.00 0.00 C ATOM 325 CG TYR A 23 23.850 -14.567 -10.578 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.257 -15.730 -10.051 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.113 -13.723 -11.425 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.916 -16.038 -10.351 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.768 -14.012 -11.707 1.00 0.00 C ATOM 330 CZ TYR A 23 21.164 -15.172 -11.176 1.00 0.00 C ATOM 331 OH TYR A 23 19.864 -15.447 -11.470 1.00 0.00 O ATOM 0 H TYR A 23 27.300 -13.289 -9.096 1.00 0.00 H new ATOM 0 HA TYR A 23 24.802 -12.158 -9.483 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.796 -13.791 -11.011 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.777 -15.032 -9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.832 -16.387 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.581 -12.852 -11.859 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.464 -16.934 -9.952 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.194 -13.344 -12.332 1.00 0.00 H new ATOM 0 HH TYR A 23 19.589 -14.927 -12.254 1.00 0.00 H new ATOM 341 N ARG A 24 24.710 -14.519 -7.140 1.00 0.00 N ATOM 342 CA ARG A 24 23.923 -15.108 -6.044 1.00 0.00 C ATOM 343 C ARG A 24 23.761 -14.134 -4.874 1.00 0.00 C ATOM 344 O ARG A 24 22.662 -13.951 -4.355 1.00 0.00 O ATOM 345 CB ARG A 24 24.569 -16.423 -5.570 1.00 0.00 C ATOM 346 CG ARG A 24 24.754 -17.431 -6.717 1.00 0.00 C ATOM 347 CD ARG A 24 25.158 -18.829 -6.228 1.00 0.00 C ATOM 348 NE ARG A 24 24.093 -19.475 -5.430 1.00 0.00 N ATOM 349 CZ ARG A 24 23.043 -20.149 -5.870 1.00 0.00 C ATOM 350 NH1 ARG A 24 22.806 -20.329 -7.141 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.195 -20.664 -5.027 1.00 0.00 N ATOM 0 H ARG A 24 25.618 -14.965 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 24 22.926 -15.322 -6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.538 -16.207 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.949 -16.870 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.825 -17.504 -7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.515 -17.058 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.397 -19.457 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.064 -18.753 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 24 24.179 -19.390 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 24 23.443 -19.943 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.984 -20.855 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.339 -20.548 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.387 -21.183 -5.370 1.00 0.00 H new ATOM 365 N ALA A 25 24.851 -13.467 -4.495 1.00 0.00 N ATOM 366 CA ALA A 25 24.857 -12.488 -3.413 1.00 0.00 C ATOM 367 C ALA A 25 24.022 -11.244 -3.753 1.00 0.00 C ATOM 368 O ALA A 25 23.251 -10.785 -2.917 1.00 0.00 O ATOM 369 CB ALA A 25 26.312 -12.127 -3.100 1.00 0.00 C ATOM 0 H ALA A 25 25.762 -13.594 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 25 24.389 -12.924 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.340 -11.395 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.852 -13.024 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.781 -11.705 -3.989 1.00 0.00 H new ATOM 375 N PHE A 26 24.117 -10.719 -4.977 1.00 0.00 N ATOM 376 CA PHE A 26 23.305 -9.590 -5.426 1.00 0.00 C ATOM 377 C PHE A 26 21.817 -9.957 -5.391 1.00 0.00 C ATOM 378 O PHE A 26 21.033 -9.258 -4.755 1.00 0.00 O ATOM 379 CB PHE A 26 23.772 -9.142 -6.824 1.00 0.00 C ATOM 380 CG PHE A 26 22.988 -7.996 -7.451 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.693 -8.214 -7.962 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.564 -6.715 -7.561 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.971 -7.162 -8.546 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.850 -5.665 -8.172 1.00 0.00 C ATOM 385 CZ PHE A 26 21.549 -5.889 -8.657 1.00 0.00 C ATOM 0 H PHE A 26 24.762 -11.068 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 26 23.436 -8.745 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.819 -8.847 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.723 -10.000 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.253 -9.198 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.557 -6.537 -7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.969 -7.333 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.302 -4.689 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.996 -5.082 -9.114 1.00 0.00 H new ATOM 395 N SER A 27 21.423 -11.074 -6.012 1.00 0.00 N ATOM 396 CA SER A 27 20.011 -11.481 -6.100 1.00 0.00 C ATOM 397 C SER A 27 19.395 -11.816 -4.732 1.00 0.00 C ATOM 398 O SER A 27 18.202 -11.581 -4.525 1.00 0.00 O ATOM 399 CB SER A 27 19.829 -12.649 -7.077 1.00 0.00 C ATOM 400 OG SER A 27 20.395 -13.847 -6.576 1.00 0.00 O ATOM 0 H SER A 27 22.068 -11.720 -6.467 1.00 0.00 H new ATOM 0 HA SER A 27 19.470 -10.616 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.767 -12.801 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.292 -12.400 -8.032 1.00 0.00 H new ATOM 0 HG SER A 27 21.084 -13.631 -5.914 1.00 0.00 H new ATOM 406 N ASP A 28 20.199 -12.279 -3.767 1.00 0.00 N ATOM 407 CA ASP A 28 19.782 -12.525 -2.383 1.00 0.00 C ATOM 408 C ASP A 28 19.350 -11.245 -1.638 1.00 0.00 C ATOM 409 O ASP A 28 18.443 -11.318 -0.803 1.00 0.00 O ATOM 410 CB ASP A 28 20.924 -13.214 -1.610 1.00 0.00 C ATOM 411 CG ASP A 28 20.960 -14.752 -1.726 1.00 0.00 C ATOM 412 OD1 ASP A 28 22.022 -15.344 -1.413 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.922 -15.392 -2.031 1.00 0.00 O ATOM 0 H ASP A 28 21.181 -12.498 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 28 18.906 -13.172 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.874 -12.816 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.841 -12.947 -0.557 1.00 0.00 H new ATOM 418 N LYS A 29 19.962 -10.082 -1.932 1.00 0.00 N ATOM 419 CA LYS A 29 19.599 -8.774 -1.335 1.00 0.00 C ATOM 420 C LYS A 29 18.943 -7.768 -2.304 1.00 0.00 C ATOM 421 O LYS A 29 18.621 -6.649 -1.904 1.00 0.00 O ATOM 422 CB LYS A 29 20.738 -8.165 -0.477 1.00 0.00 C ATOM 423 CG LYS A 29 22.192 -8.578 -0.775 1.00 0.00 C ATOM 424 CD LYS A 29 22.665 -9.885 -0.106 1.00 0.00 C ATOM 425 CE LYS A 29 22.658 -9.803 1.432 1.00 0.00 C ATOM 426 NZ LYS A 29 23.181 -11.051 2.064 1.00 0.00 N ATOM 0 H LYS A 29 20.732 -10.019 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 29 18.793 -9.011 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.677 -7.081 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.533 -8.408 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.307 -8.681 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.852 -7.770 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.021 -10.705 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.673 -10.119 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.263 -8.954 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.642 -9.619 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.158 -10.952 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.589 -11.858 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.160 -11.213 1.753 1.00 0.00 H new ATOM 440 N TRP A 30 18.702 -8.154 -3.555 1.00 0.00 N ATOM 441 CA TRP A 30 18.091 -7.294 -4.575 1.00 0.00 C ATOM 442 C TRP A 30 16.634 -6.916 -4.254 1.00 0.00 C ATOM 443 O TRP A 30 15.771 -7.782 -4.096 1.00 0.00 O ATOM 444 CB TRP A 30 18.187 -7.950 -5.956 1.00 0.00 C ATOM 445 CG TRP A 30 17.544 -7.141 -7.038 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.485 -7.522 -7.788 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.849 -5.774 -7.445 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.119 -6.491 -8.631 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.922 -5.383 -8.455 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.808 -4.817 -7.046 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.953 -4.115 -9.049 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.834 -3.535 -7.621 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.918 -3.182 -8.628 1.00 0.00 C ATOM 0 H TRP A 30 18.928 -9.088 -3.897 1.00 0.00 H new ATOM 0 HA TRP A 30 18.657 -6.363 -4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.237 -8.108 -6.204 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.717 -8.933 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.000 -8.485 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.351 -6.542 -9.300 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.532 -5.074 -6.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.244 -3.856 -9.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.565 -2.814 -7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.955 -2.200 -9.076 1.00 0.00 H new ATOM 464 N GLU A 31 16.365 -5.607 -4.211 1.00 0.00 N ATOM 465 CA GLU A 31 15.053 -4.979 -4.077 1.00 0.00 C ATOM 466 C GLU A 31 15.092 -3.619 -4.798 1.00 0.00 C ATOM 467 O GLU A 31 16.070 -2.877 -4.660 1.00 0.00 O ATOM 468 CB GLU A 31 14.721 -4.733 -2.594 1.00 0.00 C ATOM 469 CG GLU A 31 14.372 -5.996 -1.798 1.00 0.00 C ATOM 470 CD GLU A 31 13.862 -5.631 -0.391 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.632 -5.452 -0.214 1.00 0.00 O ATOM 472 OE2 GLU A 31 14.681 -5.527 0.555 1.00 0.00 O ATOM 0 H GLU A 31 17.111 -4.914 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 31 14.296 -5.634 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.573 -4.246 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.883 -4.039 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.611 -6.567 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.251 -6.635 -1.717 1.00 0.00 H new ATOM 479 N SER A 32 14.037 -3.270 -5.543 1.00 0.00 N ATOM 480 CA SER A 32 13.898 -1.944 -6.170 1.00 0.00 C ATOM 481 C SER A 32 12.435 -1.532 -6.402 1.00 0.00 C ATOM 482 O SER A 32 11.525 -2.362 -6.343 1.00 0.00 O ATOM 483 CB SER A 32 14.679 -1.878 -7.474 1.00 0.00 C ATOM 484 OG SER A 32 15.003 -0.517 -7.710 1.00 0.00 O ATOM 0 H SER A 32 13.254 -3.896 -5.730 1.00 0.00 H new ATOM 0 HA SER A 32 14.316 -1.228 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.584 -2.482 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.086 -2.279 -8.296 1.00 0.00 H new ATOM 0 HG SER A 32 15.087 -0.363 -8.674 1.00 0.00 H new ATOM 490 N ASP A 33 12.205 -0.241 -6.668 1.00 0.00 N ATOM 491 CA ASP A 33 10.859 0.342 -6.833 1.00 0.00 C ATOM 492 C ASP A 33 10.286 0.195 -8.259 1.00 0.00 C ATOM 493 O ASP A 33 9.067 0.132 -8.441 1.00 0.00 O ATOM 494 CB ASP A 33 10.908 1.817 -6.419 1.00 0.00 C ATOM 495 CG ASP A 33 9.495 2.425 -6.336 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.768 2.126 -5.356 1.00 0.00 O ATOM 497 OD2 ASP A 33 9.116 3.221 -7.228 1.00 0.00 O ATOM 0 H ASP A 33 12.955 0.441 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 33 10.180 -0.218 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.403 1.909 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.506 2.378 -7.137 1.00 0.00 H new ATOM 502 N TYR A 34 11.162 0.121 -9.270 1.00 0.00 N ATOM 503 CA TYR A 34 10.810 -0.061 -10.685 1.00 0.00 C ATOM 504 C TYR A 34 10.561 -1.548 -11.047 1.00 0.00 C ATOM 505 O TYR A 34 10.483 -2.424 -10.182 1.00 0.00 O ATOM 506 CB TYR A 34 11.885 0.609 -11.570 1.00 0.00 C ATOM 507 CG TYR A 34 13.131 -0.228 -11.789 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.398 -0.812 -13.043 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.994 -0.475 -10.711 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.495 -1.680 -13.194 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.080 -1.354 -10.848 1.00 0.00 C ATOM 512 CZ TYR A 34 15.338 -1.960 -12.095 1.00 0.00 C ATOM 513 OH TYR A 34 16.390 -2.807 -12.240 1.00 0.00 O ATOM 0 H TYR A 34 12.169 0.188 -9.121 1.00 0.00 H new ATOM 0 HA TYR A 34 9.858 0.433 -10.878 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.445 0.843 -12.539 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.174 1.556 -11.114 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.761 -0.594 -13.888 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.821 0.017 -9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.694 -2.134 -14.154 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.716 -1.565 -10.001 1.00 0.00 H new ATOM 0 HH TYR A 34 16.875 -2.875 -11.391 1.00 0.00 H new ATOM 523 N THR A 35 10.445 -1.847 -12.346 1.00 0.00 N ATOM 524 CA THR A 35 10.047 -3.158 -12.903 1.00 0.00 C ATOM 525 C THR A 35 11.131 -4.245 -12.779 1.00 0.00 C ATOM 526 O THR A 35 10.875 -5.401 -13.090 1.00 0.00 O ATOM 527 CB THR A 35 9.602 -2.992 -14.375 1.00 0.00 C ATOM 528 OG1 THR A 35 9.026 -1.713 -14.590 1.00 0.00 O ATOM 529 CG2 THR A 35 8.544 -4.014 -14.799 1.00 0.00 C ATOM 0 H THR A 35 10.632 -1.157 -13.074 1.00 0.00 H new ATOM 0 HA THR A 35 9.210 -3.510 -12.299 1.00 0.00 H new ATOM 0 HB THR A 35 10.510 -3.134 -14.962 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.754 -1.630 -15.528 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.273 -3.846 -15.841 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.945 -5.021 -14.686 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.659 -3.904 -14.172 1.00 0.00 H new ATOM 537 N GLY A 36 12.350 -3.924 -12.324 1.00 0.00 N ATOM 538 CA GLY A 36 13.373 -4.930 -11.974 1.00 0.00 C ATOM 539 C GLY A 36 13.919 -5.758 -13.138 1.00 0.00 C ATOM 540 O GLY A 36 14.403 -6.870 -12.943 1.00 0.00 O ATOM 0 H GLY A 36 12.658 -2.961 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.208 -4.420 -11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.948 -5.611 -11.236 1.00 0.00 H new ATOM 544 N ASN A 37 13.853 -5.239 -14.365 1.00 0.00 N ATOM 545 CA ASN A 37 14.293 -5.953 -15.570 1.00 0.00 C ATOM 546 C ASN A 37 15.808 -5.812 -15.815 1.00 0.00 C ATOM 547 O ASN A 37 16.246 -5.185 -16.776 1.00 0.00 O ATOM 548 CB ASN A 37 13.450 -5.525 -16.778 1.00 0.00 C ATOM 549 CG ASN A 37 11.953 -5.731 -16.621 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.169 -4.803 -16.726 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.506 -6.945 -16.383 1.00 0.00 N ATOM 0 H ASN A 37 13.490 -4.305 -14.554 1.00 0.00 H new ATOM 0 HA ASN A 37 14.127 -7.019 -15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.638 -4.470 -16.977 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.788 -6.080 -17.653 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.504 -7.110 -16.286 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.161 -7.722 -16.295 1.00 0.00 H new ATOM 558 N LEU A 38 16.608 -6.398 -14.926 1.00 0.00 N ATOM 559 CA LEU A 38 18.081 -6.339 -14.945 1.00 0.00 C ATOM 560 C LEU A 38 18.771 -7.707 -15.004 1.00 0.00 C ATOM 561 O LEU A 38 18.245 -8.687 -14.487 1.00 0.00 O ATOM 562 CB LEU A 38 18.612 -5.504 -13.765 1.00 0.00 C ATOM 563 CG LEU A 38 18.719 -6.212 -12.393 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.256 -5.235 -11.361 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.394 -6.721 -11.836 1.00 0.00 C ATOM 0 H LEU A 38 16.245 -6.945 -14.146 1.00 0.00 H new ATOM 0 HA LEU A 38 18.339 -5.846 -15.882 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.601 -5.132 -14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.965 -4.634 -13.648 1.00 0.00 H new ATOM 0 HG LEU A 38 19.371 -7.067 -12.569 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.332 -5.732 -10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.242 -4.887 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.580 -4.384 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.565 -7.202 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.708 -5.884 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.960 -7.441 -12.530 1.00 0.00 H new ATOM 577 N THR A 39 19.979 -7.749 -15.567 1.00 0.00 N ATOM 578 CA THR A 39 20.859 -8.928 -15.583 1.00 0.00 C ATOM 579 C THR A 39 22.316 -8.557 -15.279 1.00 0.00 C ATOM 580 O THR A 39 22.703 -7.390 -15.356 1.00 0.00 O ATOM 581 CB THR A 39 20.720 -9.701 -16.899 1.00 0.00 C ATOM 582 OG1 THR A 39 21.282 -10.976 -16.688 1.00 0.00 O ATOM 583 CG2 THR A 39 21.399 -9.049 -18.096 1.00 0.00 C ATOM 0 H THR A 39 20.388 -6.943 -16.039 1.00 0.00 H new ATOM 0 HA THR A 39 20.537 -9.593 -14.781 1.00 0.00 H new ATOM 0 HB THR A 39 19.660 -9.733 -17.151 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.117 -11.054 -17.195 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.247 -9.667 -18.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.969 -8.062 -18.265 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.467 -8.952 -17.900 1.00 0.00 H new ATOM 591 N ILE A 40 23.124 -9.547 -14.896 1.00 0.00 N ATOM 592 CA ILE A 40 24.491 -9.384 -14.379 1.00 0.00 C ATOM 593 C ILE A 40 25.461 -10.102 -15.313 1.00 0.00 C ATOM 594 O ILE A 40 25.316 -11.293 -15.576 1.00 0.00 O ATOM 595 CB ILE A 40 24.593 -9.952 -12.949 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.656 -9.194 -11.981 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.038 -9.922 -12.406 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.403 -9.976 -10.693 1.00 0.00 C ATOM 0 H ILE A 40 22.836 -10.525 -14.938 1.00 0.00 H new ATOM 0 HA ILE A 40 24.745 -8.325 -14.339 1.00 0.00 H new ATOM 0 HB ILE A 40 24.280 -10.994 -13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.094 -8.226 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.706 -8.997 -12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.056 -10.332 -11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.682 -10.519 -13.052 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.398 -8.893 -12.386 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.740 -9.404 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.939 -10.933 -10.933 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.349 -10.150 -10.181 1.00 0.00 H new ATOM 610 N ASN A 41 26.484 -9.383 -15.764 1.00 0.00 N ATOM 611 CA ASN A 41 27.476 -9.846 -16.726 1.00 0.00 C ATOM 612 C ASN A 41 28.869 -9.687 -16.097 1.00 0.00 C ATOM 613 O ASN A 41 29.097 -8.704 -15.392 1.00 0.00 O ATOM 614 CB ASN A 41 27.337 -9.025 -18.029 1.00 0.00 C ATOM 615 CG ASN A 41 25.897 -8.820 -18.503 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.376 -9.563 -19.321 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.225 -7.795 -18.014 1.00 0.00 N ATOM 0 H ASN A 41 26.650 -8.425 -15.457 1.00 0.00 H new ATOM 0 HA ASN A 41 27.326 -10.896 -16.976 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.798 -8.049 -17.879 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.898 -9.524 -18.819 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.267 -7.621 -18.319 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.663 -7.177 -17.331 1.00 0.00 H new ATOM 624 N GLU A 42 29.814 -10.598 -16.343 1.00 0.00 N ATOM 625 CA GLU A 42 31.212 -10.400 -15.926 1.00 0.00 C ATOM 626 C GLU A 42 32.237 -10.705 -17.031 1.00 0.00 C ATOM 627 O GLU A 42 31.977 -11.526 -17.917 1.00 0.00 O ATOM 628 CB GLU A 42 31.501 -11.154 -14.615 1.00 0.00 C ATOM 629 CG GLU A 42 31.720 -12.656 -14.773 1.00 0.00 C ATOM 630 CD GLU A 42 33.154 -13.096 -15.088 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.117 -12.341 -14.834 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.274 -14.251 -15.549 1.00 0.00 O ATOM 0 H GLU A 42 29.641 -11.479 -16.827 1.00 0.00 H new ATOM 0 HA GLU A 42 31.335 -9.335 -15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.386 -10.719 -14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.669 -10.993 -13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.404 -13.148 -13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.067 -13.017 -15.568 1.00 0.00 H new ATOM 639 N ARG A 43 33.404 -10.050 -16.962 1.00 0.00 N ATOM 640 CA ARG A 43 34.572 -10.334 -17.809 1.00 0.00 C ATOM 641 C ARG A 43 35.762 -10.766 -16.939 1.00 0.00 C ATOM 642 O ARG A 43 36.288 -9.928 -16.197 1.00 0.00 O ATOM 643 CB ARG A 43 34.895 -9.123 -18.702 1.00 0.00 C ATOM 644 CG ARG A 43 35.961 -9.460 -19.758 1.00 0.00 C ATOM 645 CD ARG A 43 36.264 -8.240 -20.634 1.00 0.00 C ATOM 646 NE ARG A 43 37.295 -8.551 -21.646 1.00 0.00 N ATOM 647 CZ ARG A 43 37.801 -7.719 -22.541 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.422 -6.474 -22.623 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.711 -8.127 -23.380 1.00 0.00 N ATOM 0 H ARG A 43 33.566 -9.291 -16.301 1.00 0.00 H new ATOM 0 HA ARG A 43 34.346 -11.165 -18.477 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.986 -8.785 -19.199 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.245 -8.298 -18.082 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.874 -9.795 -19.266 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.614 -10.284 -20.382 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.351 -7.910 -21.130 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.603 -7.415 -20.008 1.00 0.00 H new ATOM 0 HE ARG A 43 37.653 -9.506 -21.655 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.713 -6.113 -21.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.834 -5.861 -23.326 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.037 -9.093 -23.349 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.097 -7.480 -24.068 1.00 0.00 H new ATOM 663 N PRO A 44 36.218 -12.026 -17.047 1.00 0.00 N ATOM 664 CA PRO A 44 37.289 -12.563 -16.216 1.00 0.00 C ATOM 665 C PRO A 44 38.662 -12.147 -16.767 1.00 0.00 C ATOM 666 O PRO A 44 38.911 -12.240 -17.973 1.00 0.00 O ATOM 667 CB PRO A 44 37.054 -14.077 -16.224 1.00 0.00 C ATOM 668 CG PRO A 44 36.430 -14.346 -17.591 1.00 0.00 C ATOM 669 CD PRO A 44 35.618 -13.083 -17.852 1.00 0.00 C ATOM 0 HA PRO A 44 37.283 -12.181 -15.195 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.987 -14.626 -16.096 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.390 -14.382 -15.415 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.189 -14.503 -18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.800 -15.235 -17.579 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.637 -12.822 -18.910 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.573 -13.231 -17.579 1.00 0.00 H new ATOM 677 N SER A 45 39.564 -11.685 -15.895 1.00 0.00 N ATOM 678 CA SER A 45 40.925 -11.272 -16.272 1.00 0.00 C ATOM 679 C SER A 45 41.943 -11.500 -15.143 1.00 0.00 C ATOM 680 O SER A 45 41.855 -10.930 -14.052 1.00 0.00 O ATOM 681 CB SER A 45 40.928 -9.818 -16.779 1.00 0.00 C ATOM 682 OG SER A 45 40.401 -8.904 -15.832 1.00 0.00 O ATOM 0 H SER A 45 39.371 -11.585 -14.898 1.00 0.00 H new ATOM 0 HA SER A 45 41.249 -11.912 -17.093 1.00 0.00 H new ATOM 0 HB2 SER A 45 41.948 -9.527 -17.028 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.346 -9.758 -17.698 1.00 0.00 H new ATOM 0 HG SER A 45 40.780 -9.094 -14.948 1.00 0.00 H new ATOM 688 N ALA A 46 42.967 -12.315 -15.422 1.00 0.00 N ATOM 689 CA ALA A 46 43.961 -12.760 -14.434 1.00 0.00 C ATOM 690 C ALA A 46 44.864 -11.633 -13.885 1.00 0.00 C ATOM 691 O ALA A 46 45.519 -11.807 -12.854 1.00 0.00 O ATOM 692 CB ALA A 46 44.779 -13.896 -15.059 1.00 0.00 C ATOM 0 H ALA A 46 43.132 -12.691 -16.356 1.00 0.00 H new ATOM 0 HA ALA A 46 43.424 -13.114 -13.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.525 -14.244 -14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 44.116 -14.720 -15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 45.279 -13.533 -15.957 1.00 0.00 H new ATOM 698 N ARG A 47 44.842 -10.455 -14.528 1.00 0.00 N ATOM 699 CA ARG A 47 45.431 -9.197 -14.035 1.00 0.00 C ATOM 700 C ARG A 47 44.991 -8.828 -12.608 1.00 0.00 C ATOM 701 O ARG A 47 45.794 -8.257 -11.868 1.00 0.00 O ATOM 702 CB ARG A 47 45.102 -8.062 -15.031 1.00 0.00 C ATOM 703 CG ARG A 47 43.602 -7.696 -15.073 1.00 0.00 C ATOM 704 CD ARG A 47 43.209 -6.840 -16.284 1.00 0.00 C ATOM 705 NE ARG A 47 43.792 -5.483 -16.224 1.00 0.00 N ATOM 706 CZ ARG A 47 43.591 -4.503 -17.091 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.832 -4.651 -18.141 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.155 -3.341 -16.917 1.00 0.00 N ATOM 0 H ARG A 47 44.397 -10.347 -15.440 1.00 0.00 H new ATOM 0 HA ARG A 47 46.510 -9.342 -13.973 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.677 -7.176 -14.763 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.423 -8.360 -16.029 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.013 -8.613 -15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.342 -7.159 -14.160 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.538 -7.334 -17.198 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.123 -6.765 -16.336 1.00 0.00 H new ATOM 0 HE ARG A 47 44.410 -5.282 -15.438 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.371 -5.544 -18.315 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.700 -3.874 -18.788 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.756 -3.182 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.995 -2.591 -17.589 1.00 0.00 H new ATOM 722 N ALA A 48 43.738 -9.128 -12.234 1.00 0.00 N ATOM 723 CA ALA A 48 43.159 -8.702 -10.953 1.00 0.00 C ATOM 724 C ALA A 48 41.911 -9.474 -10.462 1.00 0.00 C ATOM 725 O ALA A 48 41.667 -9.477 -9.254 1.00 0.00 O ATOM 726 CB ALA A 48 42.817 -7.209 -11.084 1.00 0.00 C ATOM 0 H ALA A 48 43.098 -9.673 -12.812 1.00 0.00 H new ATOM 0 HA ALA A 48 43.911 -8.918 -10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.383 -6.852 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.724 -6.646 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.101 -7.069 -11.894 1.00 0.00 H new ATOM 732 N GLY A 49 41.103 -10.098 -11.333 1.00 0.00 N ATOM 733 CA GLY A 49 39.827 -10.722 -10.941 1.00 0.00 C ATOM 734 C GLY A 49 38.770 -10.694 -12.050 1.00 0.00 C ATOM 735 O GLY A 49 38.924 -11.367 -13.071 1.00 0.00 O ATOM 0 H GLY A 49 41.314 -10.185 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.011 -11.756 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.435 -10.209 -10.063 1.00 0.00 H new ATOM 739 N SER A 50 37.689 -9.933 -11.851 1.00 0.00 N ATOM 740 CA SER A 50 36.603 -9.771 -12.830 1.00 0.00 C ATOM 741 C SER A 50 36.090 -8.331 -12.933 1.00 0.00 C ATOM 742 O SER A 50 35.955 -7.624 -11.934 1.00 0.00 O ATOM 743 CB SER A 50 35.423 -10.705 -12.529 1.00 0.00 C ATOM 744 OG SER A 50 34.980 -10.599 -11.187 1.00 0.00 O ATOM 0 H SER A 50 37.539 -9.403 -10.993 1.00 0.00 H new ATOM 0 HA SER A 50 37.045 -10.038 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.597 -10.471 -13.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.717 -11.735 -12.732 1.00 0.00 H new ATOM 0 HG SER A 50 34.227 -11.210 -11.042 1.00 0.00 H new ATOM 750 N TRP A 51 35.721 -7.912 -14.147 1.00 0.00 N ATOM 751 CA TRP A 51 34.813 -6.780 -14.333 1.00 0.00 C ATOM 752 C TRP A 51 33.387 -7.271 -14.129 1.00 0.00 C ATOM 753 O TRP A 51 33.024 -8.276 -14.723 1.00 0.00 O ATOM 754 CB TRP A 51 34.964 -6.184 -15.738 1.00 0.00 C ATOM 755 CG TRP A 51 35.822 -4.969 -15.827 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.084 -4.923 -16.306 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.483 -3.601 -15.444 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.556 -3.627 -16.240 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.605 -2.765 -15.731 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.339 -2.987 -14.889 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.590 -1.385 -15.481 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.318 -1.602 -14.633 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.434 -0.802 -14.932 1.00 0.00 C ATOM 0 H TRP A 51 36.039 -8.342 -15.016 1.00 0.00 H new ATOM 0 HA TRP A 51 35.053 -6.000 -13.611 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.376 -6.949 -16.396 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.973 -5.937 -16.118 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.639 -5.770 -16.683 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.491 -3.342 -16.531 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.470 -3.586 -14.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.454 -0.778 -15.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.436 -1.151 -14.203 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.404 0.260 -14.740 1.00 0.00 H new ATOM 774 N ILE A 52 32.573 -6.558 -13.352 1.00 0.00 N ATOM 775 CA ILE A 52 31.129 -6.779 -13.209 1.00 0.00 C ATOM 776 C ILE A 52 30.378 -5.637 -13.884 1.00 0.00 C ATOM 777 O ILE A 52 30.670 -4.472 -13.620 1.00 0.00 O ATOM 778 CB ILE A 52 30.728 -6.891 -11.721 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.529 -7.963 -10.957 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.221 -7.169 -11.579 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.439 -9.373 -11.551 1.00 0.00 C ATOM 0 H ILE A 52 32.910 -5.782 -12.783 1.00 0.00 H new ATOM 0 HA ILE A 52 30.865 -7.721 -13.690 1.00 0.00 H new ATOM 0 HB ILE A 52 30.968 -5.927 -11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.576 -7.662 -10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.177 -7.994 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.963 -7.244 -10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.656 -6.355 -12.034 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.975 -8.105 -12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.033 -10.060 -10.949 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.399 -9.700 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.821 -9.363 -12.572 1.00 0.00 H new ATOM 793 N THR A 53 29.382 -5.971 -14.701 1.00 0.00 N ATOM 794 CA THR A 53 28.585 -5.020 -15.487 1.00 0.00 C ATOM 795 C THR A 53 27.114 -5.417 -15.417 1.00 0.00 C ATOM 796 O THR A 53 26.728 -6.484 -15.897 1.00 0.00 O ATOM 797 CB THR A 53 29.081 -4.984 -16.945 1.00 0.00 C ATOM 798 OG1 THR A 53 30.455 -4.652 -16.972 1.00 0.00 O ATOM 799 CG2 THR A 53 28.370 -3.925 -17.785 1.00 0.00 C ATOM 0 H THR A 53 29.095 -6.940 -14.842 1.00 0.00 H new ATOM 0 HA THR A 53 28.698 -4.018 -15.073 1.00 0.00 H new ATOM 0 HB THR A 53 28.880 -5.973 -17.357 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.768 -4.631 -17.900 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.760 -3.946 -18.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.300 -4.132 -17.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.542 -2.940 -17.350 1.00 0.00 H new ATOM 807 N ILE A 54 26.275 -4.565 -14.830 1.00 0.00 N ATOM 808 CA ILE A 54 24.827 -4.783 -14.717 1.00 0.00 C ATOM 809 C ILE A 54 24.104 -3.982 -15.799 1.00 0.00 C ATOM 810 O ILE A 54 24.337 -2.783 -15.987 1.00 0.00 O ATOM 811 CB ILE A 54 24.333 -4.572 -13.265 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.805 -4.689 -13.057 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.868 -3.277 -12.642 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.953 -3.501 -13.531 1.00 0.00 C ATOM 0 H ILE A 54 26.584 -3.688 -14.411 1.00 0.00 H new ATOM 0 HA ILE A 54 24.577 -5.826 -14.914 1.00 0.00 H new ATOM 0 HB ILE A 54 24.762 -5.421 -12.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.458 -5.584 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.616 -4.841 -11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.490 -3.180 -11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.957 -3.305 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.537 -2.424 -13.235 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.901 -3.704 -13.330 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.257 -2.600 -12.998 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.096 -3.355 -14.602 1.00 0.00 H new ATOM 826 N THR A 55 23.217 -4.666 -16.519 1.00 0.00 N ATOM 827 CA THR A 55 22.443 -4.116 -17.634 1.00 0.00 C ATOM 828 C THR A 55 20.941 -4.207 -17.356 1.00 0.00 C ATOM 829 O THR A 55 20.461 -5.207 -16.826 1.00 0.00 O ATOM 830 CB THR A 55 22.816 -4.809 -18.958 1.00 0.00 C ATOM 831 OG1 THR A 55 22.772 -6.214 -18.813 1.00 0.00 O ATOM 832 CG2 THR A 55 24.244 -4.502 -19.407 1.00 0.00 C ATOM 0 H THR A 55 23.010 -5.648 -16.338 1.00 0.00 H new ATOM 0 HA THR A 55 22.695 -3.060 -17.734 1.00 0.00 H new ATOM 0 HB THR A 55 22.096 -4.435 -19.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.010 -6.638 -19.664 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.449 -5.018 -20.345 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.357 -3.428 -19.551 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.946 -4.842 -18.645 1.00 0.00 H new ATOM 840 N VAL A 56 20.184 -3.161 -17.704 1.00 0.00 N ATOM 841 CA VAL A 56 18.710 -3.121 -17.662 1.00 0.00 C ATOM 842 C VAL A 56 18.184 -3.340 -19.076 1.00 0.00 C ATOM 843 O VAL A 56 18.461 -2.549 -19.973 1.00 0.00 O ATOM 844 CB VAL A 56 18.199 -1.820 -16.999 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.713 -1.536 -17.245 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.383 -1.970 -15.488 1.00 0.00 C ATOM 0 H VAL A 56 20.591 -2.286 -18.035 1.00 0.00 H new ATOM 0 HA VAL A 56 18.323 -3.922 -17.032 1.00 0.00 H new ATOM 0 HB VAL A 56 18.766 -0.997 -17.434 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.433 -0.607 -16.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.533 -1.443 -18.316 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.115 -2.356 -16.847 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.032 -1.068 -14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.810 -2.827 -15.135 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.439 -2.122 -15.263 1.00 0.00 H new ATOM 856 N ASN A 57 17.463 -4.445 -19.272 1.00 0.00 N ATOM 857 CA ASN A 57 17.039 -5.035 -20.555 1.00 0.00 C ATOM 858 C ASN A 57 18.206 -5.315 -21.528 1.00 0.00 C ATOM 859 O ASN A 57 18.580 -6.468 -21.737 1.00 0.00 O ATOM 860 CB ASN A 57 15.907 -4.206 -21.196 1.00 0.00 C ATOM 861 CG ASN A 57 14.660 -4.140 -20.331 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.951 -5.117 -20.148 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.363 -2.991 -19.769 1.00 0.00 N ATOM 0 H ASN A 57 17.132 -4.997 -18.481 1.00 0.00 H new ATOM 0 HA ASN A 57 16.636 -6.022 -20.327 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.266 -3.194 -21.384 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.650 -4.638 -22.163 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.537 -2.912 -19.176 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.959 -2.178 -19.925 1.00 0.00 H new ATOM 870 N GLN A 58 18.774 -4.253 -22.106 1.00 0.00 N ATOM 871 CA GLN A 58 19.883 -4.270 -23.073 1.00 0.00 C ATOM 872 C GLN A 58 20.874 -3.094 -22.897 1.00 0.00 C ATOM 873 O GLN A 58 21.762 -2.904 -23.728 1.00 0.00 O ATOM 874 CB GLN A 58 19.296 -4.326 -24.497 1.00 0.00 C ATOM 875 CG GLN A 58 18.376 -3.139 -24.840 1.00 0.00 C ATOM 876 CD GLN A 58 17.958 -3.153 -26.309 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.878 -3.603 -26.674 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.791 -2.677 -27.213 1.00 0.00 N ATOM 0 H GLN A 58 18.458 -3.305 -21.903 1.00 0.00 H new ATOM 0 HA GLN A 58 20.482 -5.161 -22.887 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.115 -4.358 -25.216 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.735 -5.253 -24.612 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.488 -3.173 -24.209 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.890 -2.204 -24.617 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.694 -2.299 -26.926 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.533 -2.687 -28.200 1.00 0.00 H new ATOM 887 N ASP A 59 20.730 -2.295 -21.831 1.00 0.00 N ATOM 888 CA ASP A 59 21.482 -1.051 -21.600 1.00 0.00 C ATOM 889 C ASP A 59 22.307 -1.123 -20.311 1.00 0.00 C ATOM 890 O ASP A 59 21.782 -1.486 -19.261 1.00 0.00 O ATOM 891 CB ASP A 59 20.503 0.131 -21.534 1.00 0.00 C ATOM 892 CG ASP A 59 19.902 0.464 -22.909 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.684 0.248 -23.115 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.648 0.969 -23.784 1.00 0.00 O ATOM 0 H ASP A 59 20.068 -2.501 -21.083 1.00 0.00 H new ATOM 0 HA ASP A 59 22.176 -0.911 -22.428 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.700 -0.103 -20.835 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.020 1.007 -21.143 1.00 0.00 H new ATOM 899 N VAL A 60 23.593 -0.759 -20.352 1.00 0.00 N ATOM 900 CA VAL A 60 24.432 -0.686 -19.139 1.00 0.00 C ATOM 901 C VAL A 60 24.073 0.533 -18.287 1.00 0.00 C ATOM 902 O VAL A 60 23.856 1.628 -18.807 1.00 0.00 O ATOM 903 CB VAL A 60 25.941 -0.768 -19.468 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.450 0.368 -20.365 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.799 -0.799 -18.197 1.00 0.00 C ATOM 0 H VAL A 60 24.082 -0.509 -21.212 1.00 0.00 H new ATOM 0 HA VAL A 60 24.213 -1.566 -18.534 1.00 0.00 H new ATOM 0 HB VAL A 60 26.043 -1.702 -20.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.516 0.237 -20.548 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.914 0.350 -21.314 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.282 1.325 -19.871 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.853 -0.857 -18.471 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.624 0.107 -17.617 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.531 -1.670 -17.598 1.00 0.00 H new ATOM 915 N ILE A 61 24.033 0.334 -16.963 1.00 0.00 N ATOM 916 CA ILE A 61 23.769 1.402 -15.982 1.00 0.00 C ATOM 917 C ILE A 61 24.800 1.481 -14.851 1.00 0.00 C ATOM 918 O ILE A 61 25.007 2.563 -14.304 1.00 0.00 O ATOM 919 CB ILE A 61 22.353 1.275 -15.391 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.976 -0.154 -14.960 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.315 1.845 -16.368 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.842 -0.138 -13.936 1.00 0.00 C ATOM 0 H ILE A 61 24.184 -0.580 -16.536 1.00 0.00 H new ATOM 0 HA ILE A 61 23.852 2.332 -16.544 1.00 0.00 H new ATOM 0 HB ILE A 61 22.355 1.863 -14.473 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.674 -0.733 -15.833 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.848 -0.651 -14.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.318 1.749 -15.937 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.530 2.897 -16.554 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.359 1.294 -17.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.596 -1.160 -13.649 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.156 0.421 -13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.964 0.337 -14.373 1.00 0.00 H new ATOM 934 N PHE A 62 25.459 0.370 -14.506 1.00 0.00 N ATOM 935 CA PHE A 62 26.525 0.354 -13.505 1.00 0.00 C ATOM 936 C PHE A 62 27.536 -0.757 -13.803 1.00 0.00 C ATOM 937 O PHE A 62 27.181 -1.823 -14.309 1.00 0.00 O ATOM 938 CB PHE A 62 25.919 0.241 -12.092 1.00 0.00 C ATOM 939 CG PHE A 62 26.945 0.000 -10.994 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.082 -1.267 -10.390 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.829 1.036 -10.639 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.116 -1.504 -9.461 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.852 0.802 -9.704 1.00 0.00 C ATOM 944 CZ PHE A 62 28.995 -0.465 -9.118 1.00 0.00 C ATOM 0 H PHE A 62 25.266 -0.544 -14.915 1.00 0.00 H new ATOM 0 HA PHE A 62 27.076 1.294 -13.550 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.372 1.157 -11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.195 -0.573 -12.083 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.392 -2.059 -10.640 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.721 2.013 -11.086 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.231 -2.481 -9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.530 1.599 -9.436 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.783 -0.641 -8.401 1.00 0.00 H new ATOM 954 N GLN A 63 28.803 -0.497 -13.487 1.00 0.00 N ATOM 955 CA GLN A 63 29.890 -1.467 -13.605 1.00 0.00 C ATOM 956 C GLN A 63 31.048 -1.154 -12.645 1.00 0.00 C ATOM 957 O GLN A 63 31.334 0.009 -12.358 1.00 0.00 O ATOM 958 CB GLN A 63 30.353 -1.575 -15.071 1.00 0.00 C ATOM 959 CG GLN A 63 30.855 -0.268 -15.708 1.00 0.00 C ATOM 960 CD GLN A 63 31.168 -0.453 -17.193 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.558 0.152 -18.065 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.122 -1.292 -17.542 1.00 0.00 N ATOM 0 H GLN A 63 29.109 0.410 -13.135 1.00 0.00 H new ATOM 0 HA GLN A 63 29.510 -2.443 -13.304 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.151 -2.315 -15.128 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.524 -1.954 -15.668 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.101 0.510 -15.588 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.749 0.072 -15.186 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.639 -1.803 -16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.344 -1.430 -18.528 1.00 0.00 H new ATOM 971 N THR A 64 31.717 -2.197 -12.147 1.00 0.00 N ATOM 972 CA THR A 64 32.816 -2.107 -11.167 1.00 0.00 C ATOM 973 C THR A 64 33.750 -3.320 -11.242 1.00 0.00 C ATOM 974 O THR A 64 33.398 -4.345 -11.828 1.00 0.00 O ATOM 975 CB THR A 64 32.239 -1.939 -9.752 1.00 0.00 C ATOM 976 OG1 THR A 64 33.279 -1.650 -8.841 1.00 0.00 O ATOM 977 CG2 THR A 64 31.475 -3.169 -9.248 1.00 0.00 C ATOM 0 H THR A 64 31.507 -3.157 -12.419 1.00 0.00 H new ATOM 0 HA THR A 64 33.418 -1.232 -11.411 1.00 0.00 H new ATOM 0 HB THR A 64 31.526 -1.117 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.905 -1.542 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.097 -2.976 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.639 -3.377 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.144 -4.029 -9.225 1.00 0.00 H new ATOM 985 N PHE A 65 34.940 -3.229 -10.648 1.00 0.00 N ATOM 986 CA PHE A 65 35.913 -4.322 -10.597 1.00 0.00 C ATOM 987 C PHE A 65 35.800 -5.114 -9.280 1.00 0.00 C ATOM 988 O PHE A 65 35.758 -4.524 -8.197 1.00 0.00 O ATOM 989 CB PHE A 65 37.327 -3.761 -10.829 1.00 0.00 C ATOM 990 CG PHE A 65 38.208 -4.688 -11.639 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.500 -4.388 -12.983 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.700 -5.877 -11.071 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.262 -5.279 -13.757 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.430 -6.784 -11.856 1.00 0.00 C ATOM 995 CZ PHE A 65 39.710 -6.486 -13.202 1.00 0.00 C ATOM 0 H PHE A 65 35.261 -2.381 -10.181 1.00 0.00 H new ATOM 0 HA PHE A 65 35.697 -5.033 -11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.251 -2.802 -11.341 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.799 -3.571 -9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.137 -3.470 -13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.516 -6.093 -10.029 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.503 -5.034 -14.781 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.777 -7.712 -11.426 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.269 -7.185 -13.806 1.00 0.00 H new ATOM 1005 N LEU A 66 35.771 -6.447 -9.366 1.00 0.00 N ATOM 1006 CA LEU A 66 35.856 -7.370 -8.231 1.00 0.00 C ATOM 1007 C LEU A 66 37.236 -8.037 -8.119 1.00 0.00 C ATOM 1008 O LEU A 66 37.857 -8.401 -9.120 1.00 0.00 O ATOM 1009 CB LEU A 66 34.766 -8.448 -8.329 1.00 0.00 C ATOM 1010 CG LEU A 66 33.392 -8.090 -7.760 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.518 -9.334 -7.893 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.422 -7.745 -6.269 1.00 0.00 C ATOM 0 H LEU A 66 35.685 -6.930 -10.260 1.00 0.00 H new ATOM 0 HA LEU A 66 35.703 -6.775 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.641 -8.711 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.124 -9.341 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 66 33.027 -7.219 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.524 -9.124 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.439 -9.613 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.965 -10.155 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.415 -7.501 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.797 -8.599 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.076 -6.888 -6.107 1.00 0.00 H new ATOM 1024 N PHE A 67 37.662 -8.265 -6.873 1.00 0.00 N ATOM 1025 CA PHE A 67 38.967 -8.848 -6.523 1.00 0.00 C ATOM 1026 C PHE A 67 38.799 -10.071 -5.591 1.00 0.00 C ATOM 1027 O PHE A 67 38.082 -9.973 -4.594 1.00 0.00 O ATOM 1028 CB PHE A 67 39.842 -7.763 -5.868 1.00 0.00 C ATOM 1029 CG PHE A 67 39.932 -6.453 -6.634 1.00 0.00 C ATOM 1030 CD1 PHE A 67 40.920 -6.270 -7.619 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.023 -5.411 -6.358 1.00 0.00 C ATOM 1032 CE1 PHE A 67 40.996 -5.052 -8.325 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.092 -4.201 -7.072 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.081 -4.021 -8.054 1.00 0.00 C ATOM 0 H PHE A 67 37.095 -8.044 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 67 39.457 -9.204 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.451 -7.556 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.849 -8.160 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.621 -7.063 -7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.270 -5.543 -5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 67 41.759 -4.911 -9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.385 -3.411 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.138 -3.091 -8.600 1.00 0.00 H new ATOM 1044 N PRO A 68 39.442 -11.224 -5.882 1.00 0.00 N ATOM 1045 CA PRO A 68 39.247 -12.477 -5.138 1.00 0.00 C ATOM 1046 C PRO A 68 40.022 -12.545 -3.807 1.00 0.00 C ATOM 1047 O PRO A 68 39.557 -13.176 -2.857 1.00 0.00 O ATOM 1048 CB PRO A 68 39.699 -13.575 -6.108 1.00 0.00 C ATOM 1049 CG PRO A 68 40.789 -12.881 -6.924 1.00 0.00 C ATOM 1050 CD PRO A 68 40.247 -11.470 -7.069 1.00 0.00 C ATOM 0 HA PRO A 68 38.207 -12.580 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.083 -14.448 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.879 -13.919 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.750 -12.895 -6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.937 -13.360 -7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.059 -10.747 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.647 -11.374 -7.974 1.00 0.00 H new ATOM 1058 N LEU A 69 41.194 -11.896 -3.725 1.00 0.00 N ATOM 1059 CA LEU A 69 42.061 -11.897 -2.534 1.00 0.00 C ATOM 1060 C LEU A 69 41.621 -10.859 -1.480 1.00 0.00 C ATOM 1061 O LEU A 69 41.912 -11.007 -0.290 1.00 0.00 O ATOM 1062 CB LEU A 69 43.509 -11.668 -3.019 1.00 0.00 C ATOM 1063 CG LEU A 69 44.606 -11.751 -1.937 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.664 -13.124 -1.261 1.00 0.00 C ATOM 1065 CD2 LEU A 69 45.969 -11.480 -2.575 1.00 0.00 C ATOM 0 H LEU A 69 41.573 -11.347 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 69 41.986 -12.856 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.733 -12.403 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.563 -10.686 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 69 44.362 -11.006 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.453 -13.126 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 69 43.707 -13.335 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 69 44.873 -13.889 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.746 -11.538 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.163 -12.223 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 45.971 -10.485 -3.020 1.00 0.00 H new ATOM 1077 N LYS A 70 40.916 -9.808 -1.919 1.00 0.00 N ATOM 1078 CA LYS A 70 40.461 -8.672 -1.093 1.00 0.00 C ATOM 1079 C LYS A 70 39.110 -8.967 -0.412 1.00 0.00 C ATOM 1080 O LYS A 70 38.275 -9.689 -0.958 1.00 0.00 O ATOM 1081 CB LYS A 70 40.424 -7.420 -1.991 1.00 0.00 C ATOM 1082 CG LYS A 70 40.405 -6.088 -1.226 1.00 0.00 C ATOM 1083 CD LYS A 70 40.360 -4.918 -2.220 1.00 0.00 C ATOM 1084 CE LYS A 70 40.225 -3.575 -1.486 1.00 0.00 C ATOM 1085 NZ LYS A 70 39.675 -2.523 -2.386 1.00 0.00 N ATOM 0 H LYS A 70 40.634 -9.718 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 70 41.156 -8.498 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.293 -7.434 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.541 -7.471 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.539 -6.050 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.290 -6.008 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.266 -4.916 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 70 39.521 -5.049 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 70 39.573 -3.694 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 41.200 -3.263 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 39.690 -1.605 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 40.255 -2.465 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 38.696 -2.763 -2.643 1.00 0.00 H new ATOM 1099 N ARG A 71 38.871 -8.367 0.764 1.00 0.00 N ATOM 1100 CA ARG A 71 37.653 -8.576 1.588 1.00 0.00 C ATOM 1101 C ARG A 71 36.449 -7.684 1.240 1.00 0.00 C ATOM 1102 O ARG A 71 35.420 -7.749 1.910 1.00 0.00 O ATOM 1103 CB ARG A 71 38.017 -8.543 3.088 1.00 0.00 C ATOM 1104 CG ARG A 71 38.456 -7.158 3.606 1.00 0.00 C ATOM 1105 CD ARG A 71 38.649 -7.149 5.130 1.00 0.00 C ATOM 1106 NE ARG A 71 39.765 -8.017 5.563 1.00 0.00 N ATOM 1107 CZ ARG A 71 40.058 -8.364 6.806 1.00 0.00 C ATOM 1108 NH1 ARG A 71 39.365 -7.943 7.826 1.00 0.00 N ATOM 1109 NH2 ARG A 71 41.067 -9.151 7.051 1.00 0.00 N ATOM 0 H ARG A 71 39.527 -7.709 1.184 1.00 0.00 H new ATOM 0 HA ARG A 71 37.287 -9.570 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 71 37.156 -8.877 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 71 38.820 -9.257 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 39.388 -6.868 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 71 37.708 -6.414 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.836 -6.128 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 71 37.728 -7.478 5.612 1.00 0.00 H new ATOM 0 HE ARG A 71 40.370 -8.386 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 71 38.567 -7.325 7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 71 39.621 -8.232 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.637 -9.504 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 71 41.287 -9.414 8.012 1.00 0.00 H new ATOM 1123 N ASP A 72 36.556 -6.843 0.208 1.00 0.00 N ATOM 1124 CA ASP A 72 35.534 -5.838 -0.142 1.00 0.00 C ATOM 1125 C ASP A 72 34.363 -6.357 -0.997 1.00 0.00 C ATOM 1126 O ASP A 72 33.393 -5.623 -1.179 1.00 0.00 O ATOM 1127 CB ASP A 72 36.180 -4.573 -0.733 1.00 0.00 C ATOM 1128 CG ASP A 72 36.714 -4.691 -2.175 1.00 0.00 C ATOM 1129 OD1 ASP A 72 36.784 -5.811 -2.733 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.129 -3.640 -2.724 1.00 0.00 O ATOM 0 H ASP A 72 37.361 -6.836 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 72 35.060 -5.574 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.446 -3.768 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.005 -4.275 -0.086 1.00 0.00 H new ATOM 1135 N PHE A 73 34.388 -7.618 -1.454 1.00 0.00 N ATOM 1136 CA PHE A 73 33.332 -8.237 -2.276 1.00 0.00 C ATOM 1137 C PHE A 73 31.919 -8.016 -1.710 1.00 0.00 C ATOM 1138 O PHE A 73 31.027 -7.590 -2.441 1.00 0.00 O ATOM 1139 CB PHE A 73 33.649 -9.738 -2.446 1.00 0.00 C ATOM 1140 CG PHE A 73 32.506 -10.592 -2.975 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.436 -10.919 -4.343 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.507 -11.064 -2.097 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.355 -11.670 -4.840 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.421 -11.803 -2.593 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.341 -12.094 -3.963 1.00 0.00 C ATOM 0 H PHE A 73 35.162 -8.253 -1.258 1.00 0.00 H new ATOM 0 HA PHE A 73 33.329 -7.748 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.498 -9.838 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.962 -10.137 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.216 -10.592 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.578 -10.856 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.304 -11.919 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.649 -12.147 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.496 -12.647 -4.346 1.00 0.00 H new ATOM 1155 N GLU A 74 31.715 -8.229 -0.405 1.00 0.00 N ATOM 1156 CA GLU A 74 30.397 -8.077 0.234 1.00 0.00 C ATOM 1157 C GLU A 74 29.894 -6.630 0.147 1.00 0.00 C ATOM 1158 O GLU A 74 28.738 -6.368 -0.188 1.00 0.00 O ATOM 1159 CB GLU A 74 30.509 -8.512 1.701 1.00 0.00 C ATOM 1160 CG GLU A 74 29.139 -8.807 2.319 1.00 0.00 C ATOM 1161 CD GLU A 74 29.282 -9.216 3.798 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.225 -10.431 4.105 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.451 -8.322 4.664 1.00 0.00 O ATOM 0 H GLU A 74 32.454 -8.511 0.239 1.00 0.00 H new ATOM 0 HA GLU A 74 29.676 -8.704 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.136 -9.401 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 74 31.004 -7.728 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.502 -7.926 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.648 -9.605 1.762 1.00 0.00 H new ATOM 1170 N LYS A 75 30.803 -5.678 0.379 1.00 0.00 N ATOM 1171 CA LYS A 75 30.517 -4.242 0.322 1.00 0.00 C ATOM 1172 C LYS A 75 30.240 -3.803 -1.116 1.00 0.00 C ATOM 1173 O LYS A 75 29.250 -3.123 -1.356 1.00 0.00 O ATOM 1174 CB LYS A 75 31.650 -3.437 0.993 1.00 0.00 C ATOM 1175 CG LYS A 75 31.777 -3.743 2.496 1.00 0.00 C ATOM 1176 CD LYS A 75 32.852 -4.798 2.815 1.00 0.00 C ATOM 1177 CE LYS A 75 32.594 -5.491 4.160 1.00 0.00 C ATOM 1178 NZ LYS A 75 32.757 -4.574 5.327 1.00 0.00 N ATOM 0 H LYS A 75 31.773 -5.887 0.615 1.00 0.00 H new ATOM 0 HA LYS A 75 29.609 -4.034 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.595 -3.663 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.465 -2.372 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.013 -2.822 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.814 -4.090 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 75 32.875 -5.544 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.833 -4.323 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.584 -5.900 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.279 -6.332 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 32.571 -5.096 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 33.728 -4.203 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.086 -3.784 5.244 1.00 0.00 H new ATOM 1192 N THR A 76 31.014 -4.292 -2.085 1.00 0.00 N ATOM 1193 CA THR A 76 30.778 -4.087 -3.527 1.00 0.00 C ATOM 1194 C THR A 76 29.426 -4.650 -3.978 1.00 0.00 C ATOM 1195 O THR A 76 28.712 -3.973 -4.714 1.00 0.00 O ATOM 1196 CB THR A 76 31.936 -4.686 -4.345 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.114 -3.976 -4.021 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.745 -4.565 -5.860 1.00 0.00 C ATOM 0 H THR A 76 31.842 -4.855 -1.892 1.00 0.00 H new ATOM 0 HA THR A 76 30.742 -3.013 -3.709 1.00 0.00 H new ATOM 0 HB THR A 76 31.983 -5.746 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.451 -4.280 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.600 -5.008 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.835 -5.087 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.664 -3.513 -6.134 1.00 0.00 H new ATOM 1206 N VAL A 77 29.011 -5.826 -3.487 1.00 0.00 N ATOM 1207 CA VAL A 77 27.672 -6.393 -3.747 1.00 0.00 C ATOM 1208 C VAL A 77 26.585 -5.466 -3.206 1.00 0.00 C ATOM 1209 O VAL A 77 25.717 -5.054 -3.969 1.00 0.00 O ATOM 1210 CB VAL A 77 27.528 -7.818 -3.168 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.069 -8.296 -3.128 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.307 -8.832 -4.010 1.00 0.00 C ATOM 0 H VAL A 77 29.595 -6.417 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 77 27.551 -6.474 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 77 27.921 -7.760 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.027 -9.303 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.482 -7.621 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.661 -8.303 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.190 -9.827 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.924 -8.829 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.363 -8.563 -4.018 1.00 0.00 H new ATOM 1222 N VAL A 78 26.644 -5.082 -1.925 1.00 0.00 N ATOM 1223 CA VAL A 78 25.620 -4.224 -1.293 1.00 0.00 C ATOM 1224 C VAL A 78 25.563 -2.846 -1.959 1.00 0.00 C ATOM 1225 O VAL A 78 24.483 -2.314 -2.213 1.00 0.00 O ATOM 1226 CB VAL A 78 25.870 -4.105 0.225 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.938 -3.097 0.912 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.639 -5.461 0.905 1.00 0.00 C ATOM 0 H VAL A 78 27.398 -5.353 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 78 24.648 -4.695 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 78 26.900 -3.764 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.164 -3.060 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.085 -2.109 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.902 -3.405 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.818 -5.366 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.611 -5.782 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.323 -6.199 0.487 1.00 0.00 H new ATOM 1238 N ALA A 79 26.717 -2.293 -2.327 1.00 0.00 N ATOM 1239 CA ALA A 79 26.817 -0.991 -2.975 1.00 0.00 C ATOM 1240 C ALA A 79 26.291 -1.021 -4.417 1.00 0.00 C ATOM 1241 O ALA A 79 25.737 -0.030 -4.891 1.00 0.00 O ATOM 1242 CB ALA A 79 28.283 -0.562 -2.904 1.00 0.00 C ATOM 0 H ALA A 79 27.620 -2.744 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 79 26.188 -0.265 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.401 0.411 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.593 -0.496 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.902 -1.296 -3.420 1.00 0.00 H new ATOM 1248 N ALA A 80 26.422 -2.140 -5.134 1.00 0.00 N ATOM 1249 CA ALA A 80 25.860 -2.289 -6.476 1.00 0.00 C ATOM 1250 C ALA A 80 24.324 -2.249 -6.472 1.00 0.00 C ATOM 1251 O ALA A 80 23.735 -1.792 -7.446 1.00 0.00 O ATOM 1252 CB ALA A 80 26.378 -3.597 -7.081 1.00 0.00 C ATOM 0 H ALA A 80 26.920 -2.966 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 80 26.182 -1.445 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.967 -3.722 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.466 -3.567 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.070 -4.435 -6.455 1.00 0.00 H new ATOM 1258 N LEU A 81 23.672 -2.640 -5.371 1.00 0.00 N ATOM 1259 CA LEU A 81 22.204 -2.585 -5.241 1.00 0.00 C ATOM 1260 C LEU A 81 21.720 -1.126 -5.332 1.00 0.00 C ATOM 1261 O LEU A 81 20.845 -0.792 -6.129 1.00 0.00 O ATOM 1262 CB LEU A 81 21.745 -3.206 -3.901 1.00 0.00 C ATOM 1263 CG LEU A 81 22.324 -4.578 -3.523 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.928 -4.937 -2.095 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.870 -5.711 -4.438 1.00 0.00 C ATOM 0 H LEU A 81 24.143 -3.004 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 81 21.768 -3.162 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.991 -2.505 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.659 -3.294 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 81 23.404 -4.479 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.343 -5.911 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.316 -4.184 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.841 -4.973 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.320 -6.647 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.784 -5.797 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.181 -5.499 -5.461 1.00 0.00 H new ATOM 1277 N ILE A 82 22.370 -0.243 -4.563 1.00 0.00 N ATOM 1278 CA ILE A 82 22.083 1.199 -4.525 1.00 0.00 C ATOM 1279 C ILE A 82 22.472 1.849 -5.860 1.00 0.00 C ATOM 1280 O ILE A 82 21.678 2.565 -6.464 1.00 0.00 O ATOM 1281 CB ILE A 82 22.805 1.862 -3.323 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.377 1.207 -1.984 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.519 3.377 -3.296 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.174 1.685 -0.763 1.00 0.00 C ATOM 0 H ILE A 82 23.127 -0.516 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 82 21.013 1.351 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 82 23.877 1.709 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.320 1.411 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.483 0.126 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.032 3.829 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.877 3.831 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.446 3.543 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.810 1.177 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.230 1.456 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.048 2.761 -0.645 1.00 0.00 H new ATOM 1296 N GLN A 83 23.669 1.555 -6.373 1.00 0.00 N ATOM 1297 CA GLN A 83 24.176 2.170 -7.611 1.00 0.00 C ATOM 1298 C GLN A 83 23.387 1.739 -8.862 1.00 0.00 C ATOM 1299 O GLN A 83 23.293 2.501 -9.822 1.00 0.00 O ATOM 1300 CB GLN A 83 25.674 1.860 -7.755 1.00 0.00 C ATOM 1301 CG GLN A 83 26.489 2.600 -6.682 1.00 0.00 C ATOM 1302 CD GLN A 83 27.950 2.165 -6.651 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.225 0.980 -6.147 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.857 2.880 -7.056 1.00 0.00 N flip ATOM 0 H GLN A 83 24.314 0.889 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 83 24.034 3.248 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.838 0.786 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.017 2.154 -8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.437 3.673 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.040 2.423 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.647 3.798 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.823 2.558 -7.003 1.00 0.00 H new ATOM 1313 N THR A 84 22.753 0.561 -8.825 1.00 0.00 N ATOM 1314 CA THR A 84 21.804 0.116 -9.856 1.00 0.00 C ATOM 1315 C THR A 84 20.561 1.007 -9.885 1.00 0.00 C ATOM 1316 O THR A 84 20.181 1.479 -10.953 1.00 0.00 O ATOM 1317 CB THR A 84 21.401 -1.348 -9.633 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.531 -2.169 -9.810 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.376 -1.862 -10.628 1.00 0.00 C ATOM 0 H THR A 84 22.884 -0.116 -8.074 1.00 0.00 H new ATOM 0 HA THR A 84 22.305 0.196 -10.821 1.00 0.00 H new ATOM 0 HB THR A 84 20.978 -1.383 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.212 -1.935 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.143 -2.903 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.468 -1.263 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.781 -1.789 -11.638 1.00 0.00 H new ATOM 1327 N GLU A 85 19.939 1.302 -8.736 1.00 0.00 N ATOM 1328 CA GLU A 85 18.758 2.173 -8.736 1.00 0.00 C ATOM 1329 C GLU A 85 19.125 3.647 -8.942 1.00 0.00 C ATOM 1330 O GLU A 85 18.349 4.380 -9.541 1.00 0.00 O ATOM 1331 CB GLU A 85 17.873 1.964 -7.498 1.00 0.00 C ATOM 1332 CG GLU A 85 18.474 2.423 -6.164 1.00 0.00 C ATOM 1333 CD GLU A 85 17.369 2.636 -5.111 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.206 1.779 -4.208 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.669 3.678 -5.178 1.00 0.00 O ATOM 0 H GLU A 85 20.224 0.961 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 85 18.158 1.876 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.933 2.494 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.633 0.904 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.186 1.679 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.028 3.350 -6.309 1.00 0.00 H new ATOM 1342 N GLU A 86 20.303 4.108 -8.519 1.00 0.00 N ATOM 1343 CA GLU A 86 20.747 5.501 -8.701 1.00 0.00 C ATOM 1344 C GLU A 86 20.825 5.931 -10.173 1.00 0.00 C ATOM 1345 O GLU A 86 20.534 7.085 -10.487 1.00 0.00 O ATOM 1346 CB GLU A 86 22.104 5.703 -8.016 1.00 0.00 C ATOM 1347 CG GLU A 86 21.935 5.848 -6.502 1.00 0.00 C ATOM 1348 CD GLU A 86 21.587 7.304 -6.137 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.518 8.098 -5.849 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.388 7.676 -6.179 1.00 0.00 O ATOM 0 H GLU A 86 20.986 3.524 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 86 19.992 6.136 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.755 4.857 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.590 6.592 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.147 5.181 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.854 5.549 -5.997 1.00 0.00 H new ATOM 1357 N ALA A 87 21.115 4.996 -11.085 1.00 0.00 N ATOM 1358 CA ALA A 87 21.024 5.232 -12.525 1.00 0.00 C ATOM 1359 C ALA A 87 19.580 5.508 -12.973 1.00 0.00 C ATOM 1360 O ALA A 87 19.329 6.401 -13.776 1.00 0.00 O ATOM 1361 CB ALA A 87 21.572 3.998 -13.245 1.00 0.00 C ATOM 0 H ALA A 87 21.420 4.053 -10.842 1.00 0.00 H new ATOM 0 HA ALA A 87 21.608 6.118 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.515 4.150 -14.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.611 3.839 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.981 3.124 -12.970 1.00 0.00 H new ATOM 1367 N LEU A 88 18.616 4.747 -12.441 1.00 0.00 N ATOM 1368 CA LEU A 88 17.202 4.787 -12.833 1.00 0.00 C ATOM 1369 C LEU A 88 16.428 5.887 -12.097 1.00 0.00 C ATOM 1370 O LEU A 88 15.422 6.387 -12.600 1.00 0.00 O ATOM 1371 CB LEU A 88 16.581 3.396 -12.593 1.00 0.00 C ATOM 1372 CG LEU A 88 17.343 2.200 -13.194 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.545 0.937 -12.942 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.554 2.344 -14.697 1.00 0.00 C ATOM 0 H LEU A 88 18.804 4.067 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 88 17.137 5.036 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.492 3.241 -11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.570 3.397 -12.999 1.00 0.00 H new ATOM 0 HG LEU A 88 18.323 2.159 -12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.074 0.082 -13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.420 0.794 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.566 1.025 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.096 1.476 -15.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.587 2.412 -15.195 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.131 3.247 -14.899 1.00 0.00 H new ATOM 1386 N ASN A 89 16.937 6.321 -10.946 1.00 0.00 N ATOM 1387 CA ASN A 89 16.367 7.371 -10.098 1.00 0.00 C ATOM 1388 C ASN A 89 16.288 8.733 -10.800 1.00 0.00 C ATOM 1389 O ASN A 89 15.358 9.486 -10.535 1.00 0.00 O ATOM 1390 CB ASN A 89 17.162 7.429 -8.776 1.00 0.00 C ATOM 1391 CG ASN A 89 16.499 6.663 -7.646 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.496 7.073 -7.081 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.057 5.540 -7.293 1.00 0.00 N ATOM 0 H ASN A 89 17.798 5.934 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 89 15.330 7.117 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.161 7.026 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.284 8.470 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.657 4.988 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.894 5.213 -7.775 1.00 0.00 H new ATOM 1400 N ARG A 90 17.190 9.023 -11.747 1.00 0.00 N ATOM 1401 CA ARG A 90 17.169 10.248 -12.582 1.00 0.00 C ATOM 1402 C ARG A 90 16.554 10.036 -13.984 1.00 0.00 C ATOM 1403 O ARG A 90 16.315 11.001 -14.706 1.00 0.00 O ATOM 1404 CB ARG A 90 18.596 10.832 -12.596 1.00 0.00 C ATOM 1405 CG ARG A 90 18.640 12.324 -12.968 1.00 0.00 C ATOM 1406 CD ARG A 90 20.046 12.899 -12.762 1.00 0.00 C ATOM 1407 NE ARG A 90 20.072 14.357 -12.997 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.242 14.994 -14.144 1.00 0.00 C ATOM 1409 NH1 ARG A 90 20.411 14.366 -15.275 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.242 16.296 -14.175 1.00 0.00 N ATOM 0 H ARG A 90 17.973 8.406 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 90 16.492 10.979 -12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.046 10.697 -11.613 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.204 10.270 -13.305 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.339 12.452 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.924 12.876 -12.359 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.383 12.686 -11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.745 12.407 -13.439 1.00 0.00 H new ATOM 0 HE ARG A 90 19.943 14.945 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.415 13.346 -15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 90 20.539 14.895 -16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.111 16.827 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.373 16.785 -15.060 1.00 0.00 H new ATOM 1424 N ARG A 91 16.249 8.779 -14.346 1.00 0.00 N ATOM 1425 CA ARG A 91 15.585 8.387 -15.614 1.00 0.00 C ATOM 1426 C ARG A 91 14.060 8.400 -15.493 1.00 0.00 C ATOM 1427 O ARG A 91 13.375 9.006 -16.311 1.00 0.00 O ATOM 1428 CB ARG A 91 16.039 6.981 -16.052 1.00 0.00 C ATOM 1429 CG ARG A 91 17.505 6.883 -16.491 1.00 0.00 C ATOM 1430 CD ARG A 91 17.918 5.406 -16.656 1.00 0.00 C ATOM 1431 NE ARG A 91 18.360 5.113 -18.037 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.672 4.574 -19.031 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.435 4.183 -18.904 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.231 4.414 -20.195 1.00 0.00 N ATOM 0 H ARG A 91 16.461 7.978 -13.751 1.00 0.00 H new ATOM 0 HA ARG A 91 15.878 9.124 -16.362 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.875 6.289 -15.226 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.406 6.651 -16.875 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.646 7.414 -17.432 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.146 7.366 -15.753 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.723 5.173 -15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.077 4.762 -16.399 1.00 0.00 H new ATOM 0 HE ARG A 91 19.326 5.360 -18.252 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.957 4.287 -18.009 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.946 3.773 -19.699 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.198 4.704 -20.340 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.702 3.999 -20.962 1.00 0.00 H new ATOM 1448 N GLN A 92 13.550 7.681 -14.483 1.00 0.00 N ATOM 1449 CA GLN A 92 12.123 7.330 -14.371 1.00 0.00 C ATOM 1450 C GLN A 92 11.537 7.380 -12.956 1.00 0.00 C ATOM 1451 O GLN A 92 10.422 7.864 -12.778 1.00 0.00 O ATOM 1452 CB GLN A 92 11.884 5.951 -15.012 1.00 0.00 C ATOM 1453 CG GLN A 92 12.807 4.810 -14.531 1.00 0.00 C ATOM 1454 CD GLN A 92 12.342 3.455 -15.060 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.875 2.914 -16.018 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.322 2.867 -14.465 1.00 0.00 N ATOM 0 H GLN A 92 14.118 7.323 -13.715 1.00 0.00 H new ATOM 0 HA GLN A 92 11.585 8.111 -14.909 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.851 5.659 -14.823 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.995 6.050 -16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.827 5.001 -14.863 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.825 4.790 -13.441 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.872 3.312 -13.665 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.983 1.967 -14.805 1.00 0.00 H new ATOM 1465 N ILE A 93 12.282 6.936 -11.931 1.00 0.00 N ATOM 1466 CA ILE A 93 11.745 6.868 -10.549 1.00 0.00 C ATOM 1467 C ILE A 93 11.529 8.284 -9.975 1.00 0.00 C ATOM 1468 O ILE A 93 10.713 8.479 -9.083 1.00 0.00 O ATOM 1469 CB ILE A 93 12.596 5.959 -9.614 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.138 4.685 -10.320 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.745 5.552 -8.399 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.972 3.739 -9.441 1.00 0.00 C ATOM 0 H ILE A 93 13.248 6.621 -12.024 1.00 0.00 H new ATOM 0 HA ILE A 93 10.769 6.386 -10.601 1.00 0.00 H new ATOM 0 HB ILE A 93 13.466 6.539 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.292 4.127 -10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.748 4.994 -11.169 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.334 4.915 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.433 6.445 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.864 5.007 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.299 2.885 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.844 4.271 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.366 3.390 -8.605 1.00 0.00 H new ATOM 1484 N ASN A 94 12.178 9.301 -10.557 1.00 0.00 N ATOM 1485 CA ASN A 94 12.046 10.710 -10.167 1.00 0.00 C ATOM 1486 C ASN A 94 10.589 11.202 -10.229 1.00 0.00 C ATOM 1487 O ASN A 94 10.115 11.852 -9.302 1.00 0.00 O ATOM 1488 CB ASN A 94 12.950 11.575 -11.077 1.00 0.00 C ATOM 1489 CG ASN A 94 13.756 12.585 -10.277 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.371 13.731 -10.099 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.892 12.173 -9.762 1.00 0.00 N ATOM 0 H ASN A 94 12.826 9.162 -11.332 1.00 0.00 H new ATOM 0 HA ASN A 94 12.362 10.804 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.628 10.929 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.334 12.099 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.462 12.812 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.204 11.214 -9.917 1.00 0.00 H new ATOM 1498 N GLN A 95 9.854 10.835 -11.287 1.00 0.00 N ATOM 1499 CA GLN A 95 8.437 11.193 -11.439 1.00 0.00 C ATOM 1500 C GLN A 95 7.558 10.448 -10.426 1.00 0.00 C ATOM 1501 O GLN A 95 6.670 11.043 -9.819 1.00 0.00 O ATOM 1502 CB GLN A 95 7.969 10.920 -12.879 1.00 0.00 C ATOM 1503 CG GLN A 95 8.682 11.807 -13.913 1.00 0.00 C ATOM 1504 CD GLN A 95 8.093 11.632 -15.311 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.225 12.375 -15.755 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.530 10.638 -16.055 1.00 0.00 N ATOM 0 H GLN A 95 10.224 10.283 -12.061 1.00 0.00 H new ATOM 0 HA GLN A 95 8.334 12.259 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.146 9.872 -13.122 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.894 11.085 -12.945 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.602 12.852 -13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.744 11.561 -13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.252 10.012 -15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.147 10.493 -16.989 1.00 0.00 H new ATOM 1515 N ALA A 96 7.845 9.164 -10.183 1.00 0.00 N ATOM 1516 CA ALA A 96 7.102 8.338 -9.229 1.00 0.00 C ATOM 1517 C ALA A 96 7.270 8.842 -7.783 1.00 0.00 C ATOM 1518 O ALA A 96 6.275 9.049 -7.085 1.00 0.00 O ATOM 1519 CB ALA A 96 7.548 6.879 -9.388 1.00 0.00 C ATOM 0 H ALA A 96 8.605 8.667 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 96 6.036 8.408 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.002 6.253 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.343 6.544 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.617 6.802 -9.190 1.00 0.00 H new ATOM 1525 N LEU A 97 8.509 9.118 -7.350 1.00 0.00 N ATOM 1526 CA LEU A 97 8.781 9.606 -5.991 1.00 0.00 C ATOM 1527 C LEU A 97 8.283 11.044 -5.767 1.00 0.00 C ATOM 1528 O LEU A 97 7.776 11.360 -4.692 1.00 0.00 O ATOM 1529 CB LEU A 97 10.259 9.383 -5.626 1.00 0.00 C ATOM 1530 CG LEU A 97 11.305 10.275 -6.319 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.576 11.578 -5.562 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.645 9.543 -6.420 1.00 0.00 C ATOM 0 H LEU A 97 9.344 9.010 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 97 8.196 9.013 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.363 9.517 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.506 8.344 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 97 10.888 10.506 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.322 12.163 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.653 12.152 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.947 11.348 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.375 10.186 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.999 9.292 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.517 8.629 -7.000 1.00 0.00 H new ATOM 1544 N LEU A 98 8.341 11.888 -6.802 1.00 0.00 N ATOM 1545 CA LEU A 98 7.785 13.244 -6.776 1.00 0.00 C ATOM 1546 C LEU A 98 6.254 13.210 -6.653 1.00 0.00 C ATOM 1547 O LEU A 98 5.670 13.987 -5.895 1.00 0.00 O ATOM 1548 CB LEU A 98 8.226 13.995 -8.044 1.00 0.00 C ATOM 1549 CG LEU A 98 7.606 15.396 -8.198 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.050 16.359 -7.097 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.009 15.990 -9.547 1.00 0.00 C ATOM 0 H LEU A 98 8.780 11.646 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 98 8.165 13.771 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.312 14.090 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.964 13.396 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 98 6.525 15.273 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.583 17.331 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.750 15.965 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.134 16.468 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.569 16.982 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.095 16.067 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.651 15.346 -10.350 1.00 0.00 H new ATOM 1563 N SER A 99 5.603 12.298 -7.384 1.00 0.00 N ATOM 1564 CA SER A 99 4.147 12.152 -7.369 1.00 0.00 C ATOM 1565 C SER A 99 3.616 11.641 -6.018 1.00 0.00 C ATOM 1566 O SER A 99 2.509 11.999 -5.607 1.00 0.00 O ATOM 1567 CB SER A 99 3.719 11.221 -8.512 1.00 0.00 C ATOM 1568 OG SER A 99 2.304 11.180 -8.632 1.00 0.00 O ATOM 0 H SER A 99 6.075 11.639 -8.004 1.00 0.00 H new ATOM 0 HA SER A 99 3.710 13.140 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.157 11.564 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.101 10.217 -8.330 1.00 0.00 H new ATOM 0 HG SER A 99 2.055 10.582 -9.367 1.00 0.00 H new ATOM 1574 N THR A 100 4.408 10.829 -5.303 1.00 0.00 N ATOM 1575 CA THR A 100 4.073 10.240 -4.005 1.00 0.00 C ATOM 1576 C THR A 100 5.311 9.596 -3.367 1.00 0.00 C ATOM 1577 O THR A 100 5.821 8.553 -3.787 1.00 0.00 O ATOM 1578 CB THR A 100 2.889 9.247 -4.096 1.00 0.00 C ATOM 1579 OG1 THR A 100 2.654 8.675 -2.823 1.00 0.00 O ATOM 1580 CG2 THR A 100 3.023 8.114 -5.122 1.00 0.00 C ATOM 0 H THR A 100 5.335 10.556 -5.629 1.00 0.00 H new ATOM 0 HA THR A 100 3.741 11.049 -3.355 1.00 0.00 H new ATOM 0 HB THR A 100 2.056 9.855 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.903 8.047 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.132 7.487 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.133 8.538 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.900 7.511 -4.886 1.00 0.00 H new ATOM 1588 N GLY A 101 5.788 10.254 -2.315 1.00 0.00 N ATOM 1589 CA GLY A 101 6.804 9.740 -1.391 1.00 0.00 C ATOM 1590 C GLY A 101 8.229 10.161 -1.754 1.00 0.00 C ATOM 1591 O GLY A 101 9.061 9.323 -2.110 1.00 0.00 O ATOM 0 H GLY A 101 5.470 11.192 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.577 10.088 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.749 8.652 -1.372 1.00 0.00 H new ATOM 1595 N ASP A 102 8.515 11.463 -1.640 1.00 0.00 N ATOM 1596 CA ASP A 102 9.874 12.005 -1.793 1.00 0.00 C ATOM 1597 C ASP A 102 10.874 11.430 -0.768 1.00 0.00 C ATOM 1598 O ASP A 102 10.502 10.945 0.307 1.00 0.00 O ATOM 1599 CB ASP A 102 9.887 13.533 -1.665 1.00 0.00 C ATOM 1600 CG ASP A 102 9.086 14.243 -2.769 1.00 0.00 C ATOM 1601 OD1 ASP A 102 9.672 14.530 -3.840 1.00 0.00 O ATOM 1602 OD2 ASP A 102 7.893 14.563 -2.541 1.00 0.00 O ATOM 0 H ASP A 102 7.811 12.173 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 102 10.188 11.705 -2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.480 13.813 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.919 13.884 -1.691 1.00 0.00 H new ATOM 1607 N LEU A 103 12.166 11.533 -1.093 1.00 0.00 N ATOM 1608 CA LEU A 103 13.270 11.088 -0.237 1.00 0.00 C ATOM 1609 C LEU A 103 13.479 11.970 1.016 1.00 0.00 C ATOM 1610 O LEU A 103 13.095 13.141 1.046 1.00 0.00 O ATOM 1611 CB LEU A 103 14.546 10.940 -1.094 1.00 0.00 C ATOM 1612 CG LEU A 103 15.441 12.189 -1.231 1.00 0.00 C ATOM 1613 CD1 LEU A 103 16.698 11.828 -2.021 1.00 0.00 C ATOM 1614 CD2 LEU A 103 14.750 13.343 -1.957 1.00 0.00 C ATOM 0 H LEU A 103 12.480 11.936 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 103 13.009 10.113 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 103 15.148 10.136 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.249 10.624 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 103 15.676 12.515 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.332 12.709 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.245 11.044 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.415 11.472 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 103 15.431 14.192 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 103 14.470 13.025 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.856 13.636 -1.407 1.00 0.00 H new ATOM 1626 N ALA A 104 14.136 11.401 2.034 1.00 0.00 N ATOM 1627 CA ALA A 104 14.461 12.090 3.294 1.00 0.00 C ATOM 1628 C ALA A 104 15.732 11.560 4.004 1.00 0.00 C ATOM 1629 O ALA A 104 15.849 11.644 5.232 1.00 0.00 O ATOM 1630 CB ALA A 104 13.220 12.030 4.202 1.00 0.00 C ATOM 0 H ALA A 104 14.463 10.435 2.008 1.00 0.00 H new ATOM 0 HA ALA A 104 14.713 13.124 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.434 12.534 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.383 12.524 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.962 10.989 4.398 1.00 0.00 H new ATOM 1636 N HIS A 105 16.672 10.966 3.251 1.00 0.00 N ATOM 1637 CA HIS A 105 17.895 10.353 3.803 1.00 0.00 C ATOM 1638 C HIS A 105 19.098 10.449 2.853 1.00 0.00 C ATOM 1639 O HIS A 105 20.087 11.108 3.172 1.00 0.00 O ATOM 1640 CB HIS A 105 17.601 8.893 4.193 1.00 0.00 C ATOM 1641 CG HIS A 105 18.808 8.158 4.728 1.00 0.00 C ATOM 1642 ND1 HIS A 105 19.426 8.394 5.960 1.00 0.00 N ATOM 1643 CD2 HIS A 105 19.486 7.168 4.077 1.00 0.00 C ATOM 1644 CE1 HIS A 105 20.462 7.538 6.022 1.00 0.00 C ATOM 1645 NE2 HIS A 105 20.521 6.791 4.905 1.00 0.00 N ATOM 0 H HIS A 105 16.606 10.896 2.236 1.00 0.00 H new ATOM 0 HA HIS A 105 18.179 10.918 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.813 8.878 4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.219 8.362 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.256 6.760 3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.149 7.461 6.852 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.213 6.069 4.705 1.00 0.00 H new ATOM 1653 N ASP A 106 19.008 9.836 1.666 1.00 0.00 N ATOM 1654 CA ASP A 106 20.115 9.727 0.698 1.00 0.00 C ATOM 1655 C ASP A 106 20.216 10.963 -0.227 1.00 0.00 C ATOM 1656 O ASP A 106 20.296 10.863 -1.454 1.00 0.00 O ATOM 1657 CB ASP A 106 19.997 8.386 -0.044 1.00 0.00 C ATOM 1658 CG ASP A 106 21.248 8.042 -0.877 1.00 0.00 C ATOM 1659 OD1 ASP A 106 21.097 7.451 -1.973 1.00 0.00 O ATOM 1660 OD2 ASP A 106 22.387 8.293 -0.414 1.00 0.00 O ATOM 0 H ASP A 106 18.149 9.392 1.342 1.00 0.00 H new ATOM 0 HA ASP A 106 21.067 9.726 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 106 19.821 7.591 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 106 19.128 8.417 -0.701 1.00 0.00 H new ATOM 1665 N GLU A 107 20.135 12.153 0.374 1.00 0.00 N ATOM 1666 CA GLU A 107 19.987 13.442 -0.320 1.00 0.00 C ATOM 1667 C GLU A 107 21.283 13.974 -0.963 1.00 0.00 C ATOM 1668 O GLU A 107 21.215 14.699 -1.963 1.00 0.00 O ATOM 1669 CB GLU A 107 19.416 14.473 0.668 1.00 0.00 C ATOM 1670 CG GLU A 107 17.944 14.195 1.002 1.00 0.00 C ATOM 1671 CD GLU A 107 17.412 15.187 2.055 1.00 0.00 C ATOM 1672 OE1 GLU A 107 17.216 14.784 3.228 1.00 0.00 O ATOM 1673 OE2 GLU A 107 17.171 16.371 1.715 1.00 0.00 O ATOM 0 H GLU A 107 20.171 12.253 1.388 1.00 0.00 H new ATOM 0 HA GLU A 107 19.305 13.275 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.005 14.461 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.509 15.472 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.343 14.267 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.839 13.176 1.374 1.00 0.00 H new ATOM 1680 N PHE A 108 22.450 13.618 -0.411 1.00 0.00 N ATOM 1681 CA PHE A 108 23.787 14.022 -0.869 1.00 0.00 C ATOM 1682 C PHE A 108 24.878 12.976 -0.547 1.00 0.00 C ATOM 1683 O PHE A 108 24.737 12.206 0.435 1.00 0.00 O ATOM 1684 CB PHE A 108 24.134 15.400 -0.278 1.00 0.00 C ATOM 1685 CG PHE A 108 24.207 15.476 1.239 1.00 0.00 C ATOM 1686 CD1 PHE A 108 23.045 15.738 1.990 1.00 0.00 C ATOM 1687 CD2 PHE A 108 25.440 15.308 1.899 1.00 0.00 C ATOM 1688 CE1 PHE A 108 23.113 15.823 3.394 1.00 0.00 C ATOM 1689 CE2 PHE A 108 25.509 15.396 3.302 1.00 0.00 C ATOM 1690 CZ PHE A 108 24.345 15.653 4.049 1.00 0.00 C ATOM 0 H PHE A 108 22.490 13.011 0.407 1.00 0.00 H new ATOM 0 HA PHE A 108 23.761 14.090 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 108 25.095 15.716 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 108 23.390 16.119 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 108 22.099 15.874 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 108 26.335 15.111 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 108 22.219 16.019 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 108 26.456 15.266 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 108 24.398 15.720 5.126 1.00 0.00 H new TER 1700 PHE A 108