USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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 65 ASN : amide:sc= 0.296 K(o=0.44,f=-2.2!) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.142 K(o=0.44,f=-2.9) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= 0.343 F(o=0.19,f=0.85) USER MOD Set 3.2: A 67 ASN :FLIP amide:sc= 0.505 F(o=-1.3,f=0.85) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0.00107 USER MOD Set 4.2: A 6 THR OG1 : rot 97:sc=0.000917 USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0119 (180deg=0) USER MOD Single : A 8 SER OG : rot -71:sc= 0.00165 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 80:sc= -2.25! USER MOD Single : A 19 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 23 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc=-0.00293 (180deg=-0.0878) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 43 THR OG1 : rot -170:sc= -1.57 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc=-0.00021 (180deg=-0.907) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -43:sc= 0.396 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -120:sc= 1.38 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.458 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -90:sc= -0.702 USER MOD Single : A 89 ASN : amide:sc= -0.226 K(o=-0.23,f=-3) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.395 F(o=-0.39,f=0.4) USER MOD Single : A 92 THR OG1 : rot -62:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.622 -0.269 0.068 1.00 0.00 N ATOM 2 CA ALA A 1 1.525 -0.232 -1.076 1.00 0.00 C ATOM 3 C ALA A 1 1.178 -1.321 -2.085 1.00 0.00 C ATOM 4 O ALA A 1 0.781 -2.425 -1.710 1.00 0.00 O ATOM 5 CB ALA A 1 2.967 -0.378 -0.614 1.00 0.00 C ATOM 0 H1 ALA A 1 1.143 -0.010 0.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.156 0.404 -0.082 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.234 -1.228 0.173 1.00 0.00 H new ATOM 0 HA ALA A 1 1.408 0.733 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.631 -0.349 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.217 0.439 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.088 -1.329 -0.095 1.00 0.00 H new ATOM 11 N LEU A 2 1.329 -1.004 -3.366 1.00 0.00 N ATOM 12 CA LEU A 2 1.031 -1.956 -4.431 1.00 0.00 C ATOM 13 C LEU A 2 2.230 -2.857 -4.707 1.00 0.00 C ATOM 14 O LEU A 2 3.322 -2.377 -5.012 1.00 0.00 O ATOM 15 CB LEU A 2 0.630 -1.215 -5.707 1.00 0.00 C ATOM 16 CG LEU A 2 0.667 -2.033 -6.998 1.00 0.00 C ATOM 17 CD1 LEU A 2 -0.118 -3.325 -6.834 1.00 0.00 C ATOM 18 CD2 LEU A 2 0.120 -1.219 -8.162 1.00 0.00 C ATOM 0 H LEU A 2 1.656 -0.095 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 2 0.199 -2.580 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.380 -0.827 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.289 -0.355 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 2 1.705 -2.287 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.080 -3.894 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.318 -3.916 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.155 -3.092 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.154 -1.817 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.911 -0.934 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.725 -0.322 -8.295 1.00 0.00 H new ATOM 30 N SER A 3 2.018 -4.165 -4.601 1.00 0.00 N ATOM 31 CA SER A 3 3.082 -5.133 -4.838 1.00 0.00 C ATOM 32 C SER A 3 2.785 -5.974 -6.076 1.00 0.00 C ATOM 33 O SER A 3 1.631 -6.292 -6.363 1.00 0.00 O ATOM 34 CB SER A 3 3.255 -6.042 -3.619 1.00 0.00 C ATOM 35 OG SER A 3 2.000 -6.394 -3.064 1.00 0.00 O ATOM 0 H SER A 3 1.119 -4.578 -4.353 1.00 0.00 H new ATOM 0 HA SER A 3 4.008 -4.584 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.795 -6.944 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.860 -5.536 -2.867 1.00 0.00 H new ATOM 0 HG SER A 3 2.137 -6.976 -2.288 1.00 0.00 H new ATOM 41 N CYS A 4 3.836 -6.333 -6.806 1.00 0.00 N ATOM 42 CA CYS A 4 3.690 -7.137 -8.013 1.00 0.00 C ATOM 43 C CYS A 4 3.123 -8.515 -7.684 1.00 0.00 C ATOM 44 O CYS A 4 2.327 -9.067 -8.442 1.00 0.00 O ATOM 45 CB CYS A 4 5.040 -7.284 -8.719 1.00 0.00 C ATOM 46 SG CYS A 4 5.381 -5.984 -9.949 1.00 0.00 S ATOM 0 H CYS A 4 4.798 -6.079 -6.582 1.00 0.00 H new ATOM 0 HA CYS A 4 2.993 -6.626 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.832 -7.278 -7.970 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.076 -8.255 -9.213 1.00 0.00 H new ATOM 51 N GLY A 5 3.540 -9.064 -6.547 1.00 0.00 N ATOM 52 CA GLY A 5 3.064 -10.372 -6.138 1.00 0.00 C ATOM 53 C GLY A 5 1.553 -10.477 -6.176 1.00 0.00 C ATOM 54 O GLY A 5 1.002 -11.561 -6.377 1.00 0.00 O ATOM 0 H GLY A 5 4.198 -8.626 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.494 -11.132 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.414 -10.583 -5.128 1.00 0.00 H new ATOM 58 N THR A 6 0.877 -9.349 -5.981 1.00 0.00 N ATOM 59 CA THR A 6 -0.580 -9.319 -5.991 1.00 0.00 C ATOM 60 C THR A 6 -1.114 -9.047 -7.392 1.00 0.00 C ATOM 61 O THR A 6 -2.167 -9.556 -7.776 1.00 0.00 O ATOM 62 CB THR A 6 -1.126 -8.248 -5.028 1.00 0.00 C ATOM 63 OG1 THR A 6 -0.579 -8.441 -3.719 1.00 0.00 O ATOM 64 CG2 THR A 6 -2.645 -8.303 -4.962 1.00 0.00 C ATOM 0 H THR A 6 1.316 -8.444 -5.814 1.00 0.00 H new ATOM 0 HA THR A 6 -0.919 -10.301 -5.660 1.00 0.00 H new ATOM 0 HB THR A 6 -0.830 -7.269 -5.404 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.188 -7.844 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.007 -7.538 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.059 -8.126 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.958 -9.285 -4.608 1.00 0.00 H new ATOM 72 N VAL A 7 -0.381 -8.241 -8.154 1.00 0.00 N ATOM 73 CA VAL A 7 -0.781 -7.902 -9.515 1.00 0.00 C ATOM 74 C VAL A 7 -0.951 -9.156 -10.365 1.00 0.00 C ATOM 75 O VAL A 7 -1.922 -9.286 -11.111 1.00 0.00 O ATOM 76 CB VAL A 7 0.248 -6.974 -10.188 1.00 0.00 C ATOM 77 CG1 VAL A 7 -0.164 -6.671 -11.620 1.00 0.00 C ATOM 78 CG2 VAL A 7 0.410 -5.690 -9.388 1.00 0.00 C ATOM 0 H VAL A 7 0.493 -7.811 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.736 -7.382 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 7 1.211 -7.484 -10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.574 -6.014 -12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.225 -7.601 -12.186 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.137 -6.180 -11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.141 -5.046 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.548 -5.174 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.754 -5.929 -8.382 1.00 0.00 H new ATOM 88 N SER A 8 0.000 -10.077 -10.248 1.00 0.00 N ATOM 89 CA SER A 8 -0.043 -11.321 -11.009 1.00 0.00 C ATOM 90 C SER A 8 -1.335 -12.083 -10.732 1.00 0.00 C ATOM 91 O SER A 8 -1.879 -12.745 -11.616 1.00 0.00 O ATOM 92 CB SER A 8 1.163 -12.197 -10.662 1.00 0.00 C ATOM 93 OG SER A 8 1.013 -12.788 -9.383 1.00 0.00 O ATOM 0 H SER A 8 0.809 -9.986 -9.634 1.00 0.00 H new ATOM 0 HA SER A 8 -0.009 -11.071 -12.069 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.279 -12.977 -11.415 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.072 -11.595 -10.684 1.00 0.00 H new ATOM 0 HG SER A 8 1.114 -12.101 -8.691 1.00 0.00 H new ATOM 99 N ALA A 9 -1.822 -11.983 -9.500 1.00 0.00 N ATOM 100 CA ALA A 9 -3.051 -12.660 -9.106 1.00 0.00 C ATOM 101 C ALA A 9 -4.206 -12.279 -10.026 1.00 0.00 C ATOM 102 O ALA A 9 -5.120 -13.072 -10.252 1.00 0.00 O ATOM 103 CB ALA A 9 -3.394 -12.334 -7.661 1.00 0.00 C ATOM 0 H ALA A 9 -1.384 -11.439 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.889 -13.734 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.314 -12.847 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.583 -12.663 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.531 -11.258 -7.553 1.00 0.00 H new ATOM 109 N ASP A 10 -4.160 -11.060 -10.552 1.00 0.00 N ATOM 110 CA ASP A 10 -5.203 -10.573 -11.447 1.00 0.00 C ATOM 111 C ASP A 10 -4.999 -11.108 -12.861 1.00 0.00 C ATOM 112 O ASP A 10 -5.962 -11.384 -13.577 1.00 0.00 O ATOM 113 CB ASP A 10 -5.217 -9.044 -11.464 1.00 0.00 C ATOM 114 CG ASP A 10 -5.781 -8.456 -10.186 1.00 0.00 C ATOM 115 OD1 ASP A 10 -6.727 -9.050 -9.626 1.00 0.00 O ATOM 116 OD2 ASP A 10 -5.277 -7.402 -9.745 1.00 0.00 O ATOM 0 H ASP A 10 -3.411 -10.391 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.163 -10.933 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.202 -8.676 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.809 -8.698 -12.312 1.00 0.00 H new ATOM 121 N LEU A 11 -3.739 -11.251 -13.258 1.00 0.00 N ATOM 122 CA LEU A 11 -3.408 -11.753 -14.587 1.00 0.00 C ATOM 123 C LEU A 11 -3.612 -13.262 -14.666 1.00 0.00 C ATOM 124 O LEU A 11 -3.783 -13.819 -15.750 1.00 0.00 O ATOM 125 CB LEU A 11 -1.961 -11.403 -14.939 1.00 0.00 C ATOM 126 CG LEU A 11 -1.725 -9.995 -15.487 1.00 0.00 C ATOM 127 CD1 LEU A 11 -0.241 -9.660 -15.478 1.00 0.00 C ATOM 128 CD2 LEU A 11 -2.294 -9.867 -16.892 1.00 0.00 C ATOM 0 H LEU A 11 -2.930 -11.026 -12.679 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.076 -11.277 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.350 -11.531 -14.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.603 -12.123 -15.675 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.241 -9.284 -14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.093 -8.654 -15.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.137 -9.710 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.297 -10.376 -16.099 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.117 -8.859 -17.266 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.807 -10.588 -17.549 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.366 -10.062 -16.870 1.00 0.00 H new ATOM 140 N ALA A 12 -3.595 -13.918 -13.510 1.00 0.00 N ATOM 141 CA ALA A 12 -3.782 -15.362 -13.449 1.00 0.00 C ATOM 142 C ALA A 12 -5.018 -15.789 -14.233 1.00 0.00 C ATOM 143 O ALA A 12 -4.941 -16.563 -15.187 1.00 0.00 O ATOM 144 CB ALA A 12 -3.889 -15.819 -12.001 1.00 0.00 C ATOM 0 H ALA A 12 -3.454 -13.472 -12.604 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.913 -15.836 -13.905 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.028 -16.900 -11.970 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.976 -15.556 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.740 -15.330 -11.527 1.00 0.00 H new ATOM 150 N PRO A 13 -6.187 -15.276 -13.822 1.00 0.00 N ATOM 151 CA PRO A 13 -7.462 -15.591 -14.473 1.00 0.00 C ATOM 152 C PRO A 13 -7.570 -14.977 -15.865 1.00 0.00 C ATOM 153 O PRO A 13 -8.506 -15.266 -16.611 1.00 0.00 O ATOM 154 CB PRO A 13 -8.502 -14.972 -13.534 1.00 0.00 C ATOM 155 CG PRO A 13 -7.775 -13.877 -12.833 1.00 0.00 C ATOM 156 CD PRO A 13 -6.354 -14.347 -12.691 1.00 0.00 C ATOM 0 HA PRO A 13 -7.588 -16.663 -14.625 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.357 -14.587 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.886 -15.708 -12.828 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.824 -12.949 -13.403 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.219 -13.676 -11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.649 -13.517 -12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.189 -14.844 -11.735 1.00 0.00 H new ATOM 164 N CYS A 14 -6.606 -14.130 -16.209 1.00 0.00 N ATOM 165 CA CYS A 14 -6.592 -13.475 -17.511 1.00 0.00 C ATOM 166 C CYS A 14 -5.696 -14.229 -18.489 1.00 0.00 C ATOM 167 O CYS A 14 -5.761 -14.016 -19.700 1.00 0.00 O ATOM 168 CB CYS A 14 -6.112 -12.029 -17.374 1.00 0.00 C ATOM 169 SG CYS A 14 -7.210 -10.973 -16.375 1.00 0.00 S ATOM 0 H CYS A 14 -5.824 -13.881 -15.604 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.610 -13.477 -17.901 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.118 -12.028 -16.926 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.014 -11.594 -18.369 1.00 0.00 H new ATOM 174 N VAL A 15 -4.859 -15.113 -17.955 1.00 0.00 N ATOM 175 CA VAL A 15 -3.950 -15.900 -18.780 1.00 0.00 C ATOM 176 C VAL A 15 -4.719 -16.843 -19.699 1.00 0.00 C ATOM 177 O VAL A 15 -4.362 -17.020 -20.865 1.00 0.00 O ATOM 178 CB VAL A 15 -2.978 -16.724 -17.915 1.00 0.00 C ATOM 179 CG1 VAL A 15 -2.099 -17.605 -18.790 1.00 0.00 C ATOM 180 CG2 VAL A 15 -2.130 -15.807 -17.046 1.00 0.00 C ATOM 0 H VAL A 15 -4.792 -15.302 -16.955 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.379 -15.194 -19.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.562 -17.371 -17.260 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.419 -18.179 -18.161 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.725 -18.287 -19.365 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.522 -16.980 -19.472 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.449 -16.406 -16.441 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.555 -15.134 -17.681 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.778 -15.224 -16.392 1.00 0.00 H new ATOM 190 N THR A 16 -5.777 -17.447 -19.167 1.00 0.00 N ATOM 191 CA THR A 16 -6.596 -18.373 -19.939 1.00 0.00 C ATOM 192 C THR A 16 -7.030 -17.751 -21.262 1.00 0.00 C ATOM 193 O THR A 16 -6.947 -18.386 -22.314 1.00 0.00 O ATOM 194 CB THR A 16 -7.849 -18.804 -19.153 1.00 0.00 C ATOM 195 OG1 THR A 16 -8.712 -19.577 -19.993 1.00 0.00 O ATOM 196 CG2 THR A 16 -8.600 -17.591 -18.624 1.00 0.00 C ATOM 0 H THR A 16 -6.087 -17.311 -18.205 1.00 0.00 H new ATOM 0 HA THR A 16 -5.980 -19.250 -20.137 1.00 0.00 H new ATOM 0 HB THR A 16 -7.529 -19.411 -18.306 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.505 -19.848 -19.486 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.481 -17.920 -18.073 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.949 -17.021 -17.961 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.909 -16.962 -19.459 1.00 0.00 H new ATOM 204 N TYR A 17 -7.492 -16.508 -21.203 1.00 0.00 N ATOM 205 CA TYR A 17 -7.941 -15.801 -22.397 1.00 0.00 C ATOM 206 C TYR A 17 -6.753 -15.355 -23.244 1.00 0.00 C ATOM 207 O TYR A 17 -6.853 -15.248 -24.467 1.00 0.00 O ATOM 208 CB TYR A 17 -8.789 -14.589 -22.009 1.00 0.00 C ATOM 209 CG TYR A 17 -9.076 -13.656 -23.164 1.00 0.00 C ATOM 210 CD1 TYR A 17 -9.844 -14.072 -24.244 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.580 -12.358 -23.174 1.00 0.00 C ATOM 212 CE1 TYR A 17 -10.108 -13.224 -25.302 1.00 0.00 C ATOM 213 CE2 TYR A 17 -8.841 -11.502 -24.227 1.00 0.00 C ATOM 214 CZ TYR A 17 -9.605 -11.940 -25.289 1.00 0.00 C ATOM 215 OH TYR A 17 -9.867 -11.091 -26.340 1.00 0.00 O ATOM 0 H TYR A 17 -7.566 -15.968 -20.341 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.549 -16.486 -22.988 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.733 -14.936 -21.590 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.276 -14.034 -21.223 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.242 -15.076 -24.257 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.980 -12.012 -22.345 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.705 -13.565 -26.135 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.449 -10.496 -24.219 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.767 -10.715 -26.240 1.00 0.00 H new ATOM 225 N LEU A 18 -5.629 -15.095 -22.585 1.00 0.00 N ATOM 226 CA LEU A 18 -4.420 -14.661 -23.276 1.00 0.00 C ATOM 227 C LEU A 18 -3.891 -15.760 -24.192 1.00 0.00 C ATOM 228 O LEU A 18 -3.157 -15.490 -25.141 1.00 0.00 O ATOM 229 CB LEU A 18 -3.345 -14.264 -22.263 1.00 0.00 C ATOM 230 CG LEU A 18 -3.490 -12.875 -21.640 1.00 0.00 C ATOM 231 CD1 LEU A 18 -2.532 -12.712 -20.470 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.247 -11.794 -22.684 1.00 0.00 C ATOM 0 H LEU A 18 -5.530 -15.177 -21.573 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.672 -13.795 -23.888 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.340 -15.002 -21.460 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.373 -14.321 -22.754 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.509 -12.770 -21.267 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.649 -11.718 -20.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.752 -13.464 -19.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.507 -12.838 -20.819 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.354 -10.812 -22.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.240 -11.897 -23.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.973 -11.897 -23.491 1.00 0.00 H new ATOM 244 N GLN A 19 -4.271 -17.000 -23.900 1.00 0.00 N ATOM 245 CA GLN A 19 -3.836 -18.140 -24.698 1.00 0.00 C ATOM 246 C GLN A 19 -4.959 -18.627 -25.609 1.00 0.00 C ATOM 247 O GLN A 19 -4.751 -19.496 -26.455 1.00 0.00 O ATOM 248 CB GLN A 19 -3.371 -19.278 -23.789 1.00 0.00 C ATOM 249 CG GLN A 19 -4.422 -19.723 -22.785 1.00 0.00 C ATOM 250 CD GLN A 19 -3.929 -20.833 -21.877 1.00 0.00 C ATOM 251 OE1 GLN A 19 -4.360 -21.980 -21.989 1.00 0.00 O ATOM 252 NE2 GLN A 19 -3.020 -20.495 -20.970 1.00 0.00 N ATOM 0 H GLN A 19 -4.879 -17.240 -23.117 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.001 -17.818 -25.321 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.085 -20.130 -24.405 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.478 -18.960 -23.251 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.724 -18.869 -22.178 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.309 -20.063 -23.320 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.691 -19.531 -20.913 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.651 -21.199 -20.331 1.00 0.00 H new ATOM 261 N ALA A 20 -6.148 -18.061 -25.428 1.00 0.00 N ATOM 262 CA ALA A 20 -7.302 -18.437 -26.235 1.00 0.00 C ATOM 263 C ALA A 20 -7.335 -17.656 -27.544 1.00 0.00 C ATOM 264 O ALA A 20 -6.681 -16.624 -27.696 1.00 0.00 O ATOM 265 CB ALA A 20 -8.588 -18.213 -25.452 1.00 0.00 C ATOM 0 H ALA A 20 -6.337 -17.341 -24.730 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.216 -19.496 -26.477 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.442 -18.498 -26.066 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.573 -18.820 -24.547 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.671 -17.160 -25.181 1.00 0.00 H new ATOM 271 N PRO A 21 -8.113 -18.158 -28.514 1.00 0.00 N ATOM 272 CA PRO A 21 -8.249 -17.523 -29.828 1.00 0.00 C ATOM 273 C PRO A 21 -9.017 -16.207 -29.759 1.00 0.00 C ATOM 274 O PRO A 21 -9.617 -15.881 -28.737 1.00 0.00 O ATOM 275 CB PRO A 21 -9.032 -18.556 -30.643 1.00 0.00 C ATOM 276 CG PRO A 21 -9.790 -19.342 -29.629 1.00 0.00 C ATOM 277 CD PRO A 21 -8.920 -19.385 -28.403 1.00 0.00 C ATOM 0 HA PRO A 21 -7.281 -17.266 -30.258 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.704 -18.074 -31.353 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.363 -19.195 -31.220 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.750 -18.874 -29.410 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.001 -20.347 -29.993 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.514 -19.394 -27.489 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.294 -20.277 -28.385 1.00 0.00 H new ATOM 285 N ASN A 22 -8.992 -15.455 -30.855 1.00 0.00 N ATOM 286 CA ASN A 22 -9.687 -14.174 -30.918 1.00 0.00 C ATOM 287 C ASN A 22 -11.196 -14.367 -30.815 1.00 0.00 C ATOM 288 O ASN A 22 -11.939 -13.417 -30.573 1.00 0.00 O ATOM 289 CB ASN A 22 -9.342 -13.447 -32.220 1.00 0.00 C ATOM 290 CG ASN A 22 -8.125 -12.554 -32.080 1.00 0.00 C ATOM 291 OD1 ASN A 22 -7.151 -12.739 -32.963 1.00 0.00 O flip ATOM 292 ND2 ASN A 22 -8.062 -11.708 -31.188 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.499 -15.710 -31.711 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.358 -13.569 -30.073 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.162 -14.181 -33.006 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.195 -12.846 -32.534 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.835 -11.601 -30.531 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.237 -11.114 -31.106 1.00 0.00 H new ATOM 299 N ASN A 23 -11.643 -15.606 -30.999 1.00 0.00 N ATOM 300 CA ASN A 23 -13.064 -15.925 -30.926 1.00 0.00 C ATOM 301 C ASN A 23 -13.489 -16.191 -29.485 1.00 0.00 C ATOM 302 O ASN A 23 -14.679 -16.266 -29.181 1.00 0.00 O ATOM 303 CB ASN A 23 -13.380 -17.143 -31.795 1.00 0.00 C ATOM 304 CG ASN A 23 -12.667 -18.394 -31.318 1.00 0.00 C ATOM 305 OD1 ASN A 23 -12.886 -18.858 -30.199 1.00 0.00 O ATOM 306 ND2 ASN A 23 -11.809 -18.946 -32.168 1.00 0.00 N ATOM 0 H ASN A 23 -11.041 -16.405 -31.200 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.623 -15.066 -31.298 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.456 -17.318 -31.793 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.093 -16.935 -32.826 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.300 -19.789 -31.903 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.659 -18.527 -33.086 1.00 0.00 H new ATOM 313 N ALA A 24 -12.506 -16.332 -28.601 1.00 0.00 N ATOM 314 CA ALA A 24 -12.778 -16.586 -27.191 1.00 0.00 C ATOM 315 C ALA A 24 -13.139 -15.298 -26.460 1.00 0.00 C ATOM 316 O ALA A 24 -12.779 -14.204 -26.895 1.00 0.00 O ATOM 317 CB ALA A 24 -11.576 -17.249 -26.534 1.00 0.00 C ATOM 0 H ALA A 24 -11.515 -16.275 -28.836 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.632 -17.260 -27.127 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.792 -17.433 -25.482 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.365 -18.195 -27.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.709 -16.594 -26.617 1.00 0.00 H new ATOM 323 N SER A 25 -13.855 -15.434 -25.348 1.00 0.00 N ATOM 324 CA SER A 25 -14.269 -14.280 -24.559 1.00 0.00 C ATOM 325 C SER A 25 -13.516 -14.230 -23.233 1.00 0.00 C ATOM 326 O SER A 25 -12.951 -15.223 -22.773 1.00 0.00 O ATOM 327 CB SER A 25 -15.776 -14.327 -24.302 1.00 0.00 C ATOM 328 OG SER A 25 -16.490 -13.659 -25.328 1.00 0.00 O ATOM 0 H SER A 25 -14.160 -16.332 -24.973 1.00 0.00 H new ATOM 0 HA SER A 25 -14.032 -13.379 -25.125 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.105 -15.364 -24.242 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.999 -13.865 -23.340 1.00 0.00 H new ATOM 0 HG SER A 25 -17.451 -13.705 -25.141 1.00 0.00 H new ATOM 334 N PRO A 26 -13.509 -13.047 -22.602 1.00 0.00 N ATOM 335 CA PRO A 26 -12.830 -12.838 -21.320 1.00 0.00 C ATOM 336 C PRO A 26 -13.659 -13.332 -20.138 1.00 0.00 C ATOM 337 O PRO A 26 -14.889 -13.361 -20.181 1.00 0.00 O ATOM 338 CB PRO A 26 -12.658 -11.318 -21.253 1.00 0.00 C ATOM 339 CG PRO A 26 -13.761 -10.774 -22.093 1.00 0.00 C ATOM 340 CD PRO A 26 -14.163 -11.822 -23.092 1.00 0.00 C ATOM 0 HA PRO A 26 -11.892 -13.390 -21.261 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.727 -10.957 -20.227 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.683 -11.013 -21.634 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.612 -10.500 -21.469 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.436 -9.868 -22.605 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.246 -11.937 -23.136 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.829 -11.565 -24.097 1.00 0.00 H new ATOM 348 N PRO A 27 -12.971 -13.729 -19.057 1.00 0.00 N ATOM 349 CA PRO A 27 -13.624 -14.228 -17.843 1.00 0.00 C ATOM 350 C PRO A 27 -14.077 -13.099 -16.923 1.00 0.00 C ATOM 351 O PRO A 27 -13.362 -12.122 -16.701 1.00 0.00 O ATOM 352 CB PRO A 27 -12.530 -15.060 -17.169 1.00 0.00 C ATOM 353 CG PRO A 27 -11.297 -14.772 -17.954 1.00 0.00 C ATOM 354 CD PRO A 27 -11.503 -13.721 -18.937 1.00 0.00 C ATOM 0 HA PRO A 27 -14.529 -14.791 -18.069 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.408 -14.780 -16.123 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.772 -16.123 -17.188 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.496 -14.479 -17.275 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.970 -15.681 -18.460 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.123 -12.758 -18.596 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.011 -13.941 -19.884 1.00 0.00 H new ATOM 362 N PRO A 28 -15.293 -13.235 -16.375 1.00 0.00 N ATOM 363 CA PRO A 28 -15.869 -12.236 -15.469 1.00 0.00 C ATOM 364 C PRO A 28 -14.906 -11.841 -14.354 1.00 0.00 C ATOM 365 O PRO A 28 -14.727 -10.663 -14.044 1.00 0.00 O ATOM 366 CB PRO A 28 -17.095 -12.947 -14.890 1.00 0.00 C ATOM 367 CG PRO A 28 -17.411 -14.019 -15.875 1.00 0.00 C ATOM 368 CD PRO A 28 -16.201 -14.373 -16.596 1.00 0.00 C ATOM 0 HA PRO A 28 -16.103 -11.305 -15.985 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.883 -13.364 -13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.932 -12.259 -14.771 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -17.813 -14.893 -15.363 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.177 -13.677 -16.571 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.772 -15.302 -16.220 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.400 -14.521 -17.657 1.00 0.00 H new ATOM 376 N PRO A 29 -14.271 -12.848 -13.736 1.00 0.00 N ATOM 377 CA PRO A 29 -13.315 -12.630 -12.647 1.00 0.00 C ATOM 378 C PRO A 29 -12.071 -11.878 -13.108 1.00 0.00 C ATOM 379 O PRO A 29 -11.439 -11.165 -12.329 1.00 0.00 O ATOM 380 CB PRO A 29 -12.948 -14.050 -12.207 1.00 0.00 C ATOM 381 CG PRO A 29 -14.020 -14.912 -12.780 1.00 0.00 C ATOM 382 CD PRO A 29 -14.436 -14.276 -14.054 1.00 0.00 C ATOM 0 HA PRO A 29 -13.738 -12.018 -11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.966 -14.339 -12.580 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.913 -14.131 -11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.653 -15.924 -12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.862 -14.992 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.809 -14.585 -14.891 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.465 -14.521 -14.318 1.00 0.00 H new ATOM 390 N CYS A 30 -11.725 -12.041 -14.381 1.00 0.00 N ATOM 391 CA CYS A 30 -10.557 -11.378 -14.947 1.00 0.00 C ATOM 392 C CYS A 30 -10.816 -9.885 -15.134 1.00 0.00 C ATOM 393 O CYS A 30 -10.021 -9.048 -14.706 1.00 0.00 O ATOM 394 CB CYS A 30 -10.184 -12.013 -16.288 1.00 0.00 C ATOM 395 SG CYS A 30 -8.957 -11.065 -17.244 1.00 0.00 S ATOM 0 H CYS A 30 -12.238 -12.627 -15.040 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.728 -11.501 -14.251 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.793 -13.014 -16.107 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.087 -12.127 -16.888 1.00 0.00 H new ATOM 400 N CYS A 31 -11.933 -9.560 -15.775 1.00 0.00 N ATOM 401 CA CYS A 31 -12.298 -8.170 -16.018 1.00 0.00 C ATOM 402 C CYS A 31 -12.285 -7.368 -14.720 1.00 0.00 C ATOM 403 O CYS A 31 -11.748 -6.262 -14.666 1.00 0.00 O ATOM 404 CB CYS A 31 -13.682 -8.090 -16.666 1.00 0.00 C ATOM 405 SG CYS A 31 -13.800 -8.936 -18.275 1.00 0.00 S ATOM 0 H CYS A 31 -12.601 -10.241 -16.136 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.561 -7.741 -16.696 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.415 -8.523 -15.986 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.949 -7.042 -16.798 1.00 0.00 H new ATOM 410 N ALA A 32 -12.880 -7.935 -13.675 1.00 0.00 N ATOM 411 CA ALA A 32 -12.936 -7.275 -12.377 1.00 0.00 C ATOM 412 C ALA A 32 -11.552 -6.803 -11.942 1.00 0.00 C ATOM 413 O ALA A 32 -11.393 -5.687 -11.448 1.00 0.00 O ATOM 414 CB ALA A 32 -13.528 -8.211 -11.334 1.00 0.00 C ATOM 0 H ALA A 32 -13.330 -8.850 -13.703 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.578 -6.399 -12.469 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.564 -7.705 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.537 -8.496 -11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.908 -9.104 -11.253 1.00 0.00 H new ATOM 420 N GLY A 33 -10.553 -7.660 -12.129 1.00 0.00 N ATOM 421 CA GLY A 33 -9.197 -7.312 -11.749 1.00 0.00 C ATOM 422 C GLY A 33 -8.773 -5.959 -12.284 1.00 0.00 C ATOM 423 O GLY A 33 -8.219 -5.139 -11.552 1.00 0.00 O ATOM 0 H GLY A 33 -10.659 -8.589 -12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.117 -7.311 -10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.512 -8.076 -12.118 1.00 0.00 H new ATOM 427 N VAL A 34 -9.033 -5.724 -13.567 1.00 0.00 N ATOM 428 CA VAL A 34 -8.675 -4.461 -14.200 1.00 0.00 C ATOM 429 C VAL A 34 -9.188 -3.275 -13.391 1.00 0.00 C ATOM 430 O VAL A 34 -8.459 -2.313 -13.148 1.00 0.00 O ATOM 431 CB VAL A 34 -9.236 -4.372 -15.632 1.00 0.00 C ATOM 432 CG1 VAL A 34 -9.034 -2.975 -16.199 1.00 0.00 C ATOM 433 CG2 VAL A 34 -8.585 -5.418 -16.525 1.00 0.00 C ATOM 0 H VAL A 34 -9.490 -6.392 -14.187 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.586 -4.425 -14.241 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.307 -4.573 -15.597 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.436 -2.931 -17.211 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.551 -2.249 -15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.969 -2.742 -16.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.993 -5.341 -17.533 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.508 -5.251 -16.556 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.787 -6.413 -16.127 1.00 0.00 H new ATOM 443 N LYS A 35 -10.447 -3.351 -12.975 1.00 0.00 N ATOM 444 CA LYS A 35 -11.059 -2.285 -12.190 1.00 0.00 C ATOM 445 C LYS A 35 -10.456 -2.225 -10.790 1.00 0.00 C ATOM 446 O LYS A 35 -10.401 -1.162 -10.172 1.00 0.00 O ATOM 447 CB LYS A 35 -12.572 -2.497 -12.097 1.00 0.00 C ATOM 448 CG LYS A 35 -13.256 -2.605 -13.449 1.00 0.00 C ATOM 449 CD LYS A 35 -14.473 -3.511 -13.387 1.00 0.00 C ATOM 450 CE LYS A 35 -15.732 -2.732 -13.038 1.00 0.00 C ATOM 451 NZ LYS A 35 -16.210 -1.909 -14.183 1.00 0.00 N ATOM 0 H LYS A 35 -11.064 -4.140 -13.168 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.861 -1.338 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.769 -3.405 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.013 -1.669 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.557 -1.613 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.551 -2.991 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.607 -4.009 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.309 -4.291 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.517 -3.426 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.534 -2.085 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.192 -1.613 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.607 -1.068 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.165 -2.471 -15.057 1.00 0.00 H new ATOM 465 N LYS A 36 -10.004 -3.373 -10.296 1.00 0.00 N ATOM 466 CA LYS A 36 -9.403 -3.451 -8.970 1.00 0.00 C ATOM 467 C LYS A 36 -8.211 -2.505 -8.857 1.00 0.00 C ATOM 468 O LYS A 36 -7.826 -2.105 -7.757 1.00 0.00 O ATOM 469 CB LYS A 36 -8.958 -4.885 -8.673 1.00 0.00 C ATOM 470 CG LYS A 36 -9.062 -5.262 -7.206 1.00 0.00 C ATOM 471 CD LYS A 36 -10.414 -5.875 -6.881 1.00 0.00 C ATOM 472 CE LYS A 36 -10.319 -6.854 -5.722 1.00 0.00 C ATOM 473 NZ LYS A 36 -10.206 -6.154 -4.412 1.00 0.00 N ATOM 0 H LYS A 36 -10.043 -4.262 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.154 -3.151 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.565 -5.574 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.926 -5.011 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.271 -5.969 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.906 -4.376 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.123 -5.085 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.803 -6.388 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.200 -7.496 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.454 -7.501 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.144 -6.856 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.352 -5.561 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.044 -5.556 -4.265 1.00 0.00 H new ATOM 487 N LEU A 37 -7.633 -2.150 -9.998 1.00 0.00 N ATOM 488 CA LEU A 37 -6.486 -1.248 -10.027 1.00 0.00 C ATOM 489 C LEU A 37 -6.751 -0.003 -9.187 1.00 0.00 C ATOM 490 O LEU A 37 -5.842 0.539 -8.558 1.00 0.00 O ATOM 491 CB LEU A 37 -6.164 -0.847 -11.468 1.00 0.00 C ATOM 492 CG LEU A 37 -5.173 -1.745 -12.209 1.00 0.00 C ATOM 493 CD1 LEU A 37 -3.768 -1.560 -11.655 1.00 0.00 C ATOM 494 CD2 LEU A 37 -5.599 -3.202 -12.113 1.00 0.00 C ATOM 0 H LEU A 37 -7.939 -2.472 -10.916 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.630 -1.774 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.095 -0.823 -12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.769 0.169 -11.462 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.167 -1.458 -13.260 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.076 -2.207 -12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.463 -0.521 -11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.757 -1.820 -10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.882 -3.827 -12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.634 -3.503 -11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.587 -3.322 -12.558 1.00 0.00 H new ATOM 506 N LEU A 38 -8.002 0.444 -9.180 1.00 0.00 N ATOM 507 CA LEU A 38 -8.388 1.625 -8.415 1.00 0.00 C ATOM 508 C LEU A 38 -7.921 1.512 -6.967 1.00 0.00 C ATOM 509 O LEU A 38 -7.244 2.402 -6.452 1.00 0.00 O ATOM 510 CB LEU A 38 -9.905 1.813 -8.460 1.00 0.00 C ATOM 511 CG LEU A 38 -10.445 2.638 -9.628 1.00 0.00 C ATOM 512 CD1 LEU A 38 -9.930 2.092 -10.951 1.00 0.00 C ATOM 513 CD2 LEU A 38 -11.967 2.654 -9.612 1.00 0.00 C ATOM 0 H LEU A 38 -8.766 0.007 -9.695 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.907 2.493 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.372 0.829 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.220 2.287 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.090 3.663 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.325 2.692 -11.771 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.841 2.134 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.255 1.058 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.333 3.246 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.342 1.634 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.316 3.093 -8.678 1.00 0.00 H new ATOM 525 N ALA A 39 -8.285 0.412 -6.317 1.00 0.00 N ATOM 526 CA ALA A 39 -7.900 0.181 -4.930 1.00 0.00 C ATOM 527 C ALA A 39 -6.518 -0.459 -4.844 1.00 0.00 C ATOM 528 O ALA A 39 -5.928 -0.540 -3.767 1.00 0.00 O ATOM 529 CB ALA A 39 -8.933 -0.692 -4.234 1.00 0.00 C ATOM 0 H ALA A 39 -8.846 -0.334 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.857 1.146 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.633 -0.856 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.903 -0.195 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.005 -1.651 -4.748 1.00 0.00 H new ATOM 535 N ALA A 40 -6.009 -0.913 -5.984 1.00 0.00 N ATOM 536 CA ALA A 40 -4.697 -1.545 -6.037 1.00 0.00 C ATOM 537 C ALA A 40 -3.584 -0.512 -5.892 1.00 0.00 C ATOM 538 O ALA A 40 -2.644 -0.703 -5.120 1.00 0.00 O ATOM 539 CB ALA A 40 -4.535 -2.319 -7.336 1.00 0.00 C ATOM 0 H ALA A 40 -6.486 -0.855 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.623 -2.241 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.550 -2.785 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.303 -3.090 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.635 -1.637 -8.181 1.00 0.00 H new ATOM 545 N ALA A 41 -3.697 0.581 -6.639 1.00 0.00 N ATOM 546 CA ALA A 41 -2.701 1.644 -6.593 1.00 0.00 C ATOM 547 C ALA A 41 -2.833 2.465 -5.315 1.00 0.00 C ATOM 548 O ALA A 41 -3.930 2.625 -4.778 1.00 0.00 O ATOM 549 CB ALA A 41 -2.829 2.541 -7.815 1.00 0.00 C ATOM 0 H ALA A 41 -4.469 0.754 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.713 1.183 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.079 3.330 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.676 1.950 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.824 2.986 -7.837 1.00 0.00 H new ATOM 555 N THR A 42 -1.709 2.984 -4.831 1.00 0.00 N ATOM 556 CA THR A 42 -1.699 3.787 -3.614 1.00 0.00 C ATOM 557 C THR A 42 -1.787 5.274 -3.937 1.00 0.00 C ATOM 558 O THR A 42 -2.644 5.985 -3.410 1.00 0.00 O ATOM 559 CB THR A 42 -0.431 3.528 -2.780 1.00 0.00 C ATOM 560 OG1 THR A 42 0.688 3.306 -3.646 1.00 0.00 O ATOM 561 CG2 THR A 42 -0.619 2.325 -1.868 1.00 0.00 C ATOM 0 H THR A 42 -0.793 2.863 -5.263 1.00 0.00 H new ATOM 0 HA THR A 42 -2.573 3.492 -3.033 1.00 0.00 H new ATOM 0 HB THR A 42 -0.244 4.406 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.491 3.144 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.290 2.162 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.453 2.509 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.829 1.441 -2.470 1.00 0.00 H new ATOM 569 N THR A 43 -0.897 5.740 -4.807 1.00 0.00 N ATOM 570 CA THR A 43 -0.874 7.143 -5.199 1.00 0.00 C ATOM 571 C THR A 43 -1.411 7.328 -6.614 1.00 0.00 C ATOM 572 O THR A 43 -1.797 6.362 -7.274 1.00 0.00 O ATOM 573 CB THR A 43 0.551 7.724 -5.124 1.00 0.00 C ATOM 574 OG1 THR A 43 1.290 7.363 -6.296 1.00 0.00 O ATOM 575 CG2 THR A 43 1.276 7.220 -3.885 1.00 0.00 C ATOM 0 H THR A 43 -0.182 5.166 -5.254 1.00 0.00 H new ATOM 0 HA THR A 43 -1.514 7.677 -4.497 1.00 0.00 H new ATOM 0 HB THR A 43 0.474 8.810 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.234 7.597 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.280 7.643 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.726 7.522 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.342 6.133 -3.919 1.00 0.00 H new ATOM 583 N THR A 44 -1.433 8.574 -7.076 1.00 0.00 N ATOM 584 CA THR A 44 -1.924 8.885 -8.413 1.00 0.00 C ATOM 585 C THR A 44 -0.983 8.345 -9.483 1.00 0.00 C ATOM 586 O THR A 44 -1.371 7.556 -10.345 1.00 0.00 O ATOM 587 CB THR A 44 -2.091 10.403 -8.611 1.00 0.00 C ATOM 588 OG1 THR A 44 -3.405 10.808 -8.211 1.00 0.00 O ATOM 589 CG2 THR A 44 -1.856 10.789 -10.064 1.00 0.00 C ATOM 0 H THR A 44 -1.116 9.385 -6.544 1.00 0.00 H new ATOM 0 HA THR A 44 -2.897 8.404 -8.512 1.00 0.00 H new ATOM 0 HB THR A 44 -1.351 10.911 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.502 11.775 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.980 11.866 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.845 10.506 -10.357 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.575 10.272 -10.699 1.00 0.00 H new ATOM 597 N PRO A 45 0.286 8.777 -9.430 1.00 0.00 N ATOM 598 CA PRO A 45 1.310 8.348 -10.388 1.00 0.00 C ATOM 599 C PRO A 45 1.697 6.885 -10.205 1.00 0.00 C ATOM 600 O PRO A 45 2.242 6.259 -11.115 1.00 0.00 O ATOM 601 CB PRO A 45 2.497 9.260 -10.070 1.00 0.00 C ATOM 602 CG PRO A 45 2.306 9.648 -8.644 1.00 0.00 C ATOM 603 CD PRO A 45 0.819 9.718 -8.430 1.00 0.00 C ATOM 0 HA PRO A 45 0.962 8.423 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.445 8.741 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.509 10.135 -10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.762 8.917 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.776 10.609 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.545 9.425 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.438 10.727 -8.585 1.00 0.00 H new ATOM 611 N ASP A 46 1.413 6.345 -9.025 1.00 0.00 N ATOM 612 CA ASP A 46 1.731 4.954 -8.724 1.00 0.00 C ATOM 613 C ASP A 46 0.942 4.009 -9.625 1.00 0.00 C ATOM 614 O ASP A 46 1.356 2.875 -9.865 1.00 0.00 O ATOM 615 CB ASP A 46 1.433 4.647 -7.255 1.00 0.00 C ATOM 616 CG ASP A 46 2.624 4.910 -6.355 1.00 0.00 C ATOM 617 OD1 ASP A 46 3.430 5.806 -6.683 1.00 0.00 O ATOM 618 OD2 ASP A 46 2.750 4.220 -5.322 1.00 0.00 O ATOM 0 H ASP A 46 0.963 6.849 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 46 2.794 4.801 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.590 5.254 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.132 3.604 -7.159 1.00 0.00 H new ATOM 623 N ARG A 47 -0.196 4.484 -10.119 1.00 0.00 N ATOM 624 CA ARG A 47 -1.044 3.681 -10.992 1.00 0.00 C ATOM 625 C ARG A 47 -0.255 3.164 -12.191 1.00 0.00 C ATOM 626 O ARG A 47 -0.496 2.057 -12.673 1.00 0.00 O ATOM 627 CB ARG A 47 -2.242 4.502 -11.471 1.00 0.00 C ATOM 628 CG ARG A 47 -1.902 5.483 -12.582 1.00 0.00 C ATOM 629 CD ARG A 47 -3.149 6.169 -13.120 1.00 0.00 C ATOM 630 NE ARG A 47 -3.479 7.375 -12.365 1.00 0.00 N ATOM 631 CZ ARG A 47 -4.265 7.379 -11.294 1.00 0.00 C ATOM 632 NH1 ARG A 47 -4.798 6.248 -10.855 1.00 0.00 N ATOM 633 NH2 ARG A 47 -4.519 8.517 -10.661 1.00 0.00 N ATOM 0 H ARG A 47 -0.552 5.421 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.404 2.826 -10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.020 3.824 -11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.656 5.052 -10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.206 6.233 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.397 4.957 -13.392 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.997 6.428 -14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.989 5.476 -13.081 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.085 8.262 -12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.605 5.371 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.401 6.254 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.111 9.389 -10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.123 8.519 -9.839 1.00 0.00 H new ATOM 647 N GLN A 48 0.687 3.972 -12.666 1.00 0.00 N ATOM 648 CA GLN A 48 1.510 3.596 -13.810 1.00 0.00 C ATOM 649 C GLN A 48 2.326 2.345 -13.505 1.00 0.00 C ATOM 650 O GLN A 48 2.423 1.438 -14.332 1.00 0.00 O ATOM 651 CB GLN A 48 2.442 4.747 -14.194 1.00 0.00 C ATOM 652 CG GLN A 48 1.844 5.700 -15.216 1.00 0.00 C ATOM 653 CD GLN A 48 2.899 6.398 -16.051 1.00 0.00 C ATOM 654 OE1 GLN A 48 4.015 5.900 -16.205 1.00 0.00 O ATOM 655 NE2 GLN A 48 2.551 7.557 -16.596 1.00 0.00 N ATOM 0 H GLN A 48 0.899 4.891 -12.277 1.00 0.00 H new ATOM 0 HA GLN A 48 0.847 3.380 -14.648 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.702 5.307 -13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.369 4.335 -14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.173 5.147 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.241 6.448 -14.701 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.615 7.932 -16.442 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.219 8.072 -17.169 1.00 0.00 H new ATOM 664 N ALA A 49 2.911 2.302 -12.313 1.00 0.00 N ATOM 665 CA ALA A 49 3.718 1.161 -11.899 1.00 0.00 C ATOM 666 C ALA A 49 2.979 -0.151 -12.140 1.00 0.00 C ATOM 667 O ALA A 49 3.591 -1.171 -12.453 1.00 0.00 O ATOM 668 CB ALA A 49 4.101 1.290 -10.432 1.00 0.00 C ATOM 0 H ALA A 49 2.841 3.044 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 49 4.626 1.153 -12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.703 0.431 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.676 2.204 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.198 1.327 -9.822 1.00 0.00 H new ATOM 674 N ALA A 50 1.658 -0.116 -11.993 1.00 0.00 N ATOM 675 CA ALA A 50 0.836 -1.302 -12.197 1.00 0.00 C ATOM 676 C ALA A 50 0.928 -1.794 -13.637 1.00 0.00 C ATOM 677 O ALA A 50 1.182 -2.972 -13.887 1.00 0.00 O ATOM 678 CB ALA A 50 -0.612 -1.010 -11.829 1.00 0.00 C ATOM 0 H ALA A 50 1.135 0.720 -11.734 1.00 0.00 H new ATOM 0 HA ALA A 50 1.214 -2.091 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.215 -1.904 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.669 -0.714 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.991 -0.202 -12.455 1.00 0.00 H new ATOM 684 N CYS A 51 0.720 -0.883 -14.583 1.00 0.00 N ATOM 685 CA CYS A 51 0.779 -1.223 -15.999 1.00 0.00 C ATOM 686 C CYS A 51 2.173 -1.711 -16.384 1.00 0.00 C ATOM 687 O CYS A 51 2.356 -2.334 -17.429 1.00 0.00 O ATOM 688 CB CYS A 51 0.397 -0.012 -16.852 1.00 0.00 C ATOM 689 SG CYS A 51 0.309 -0.359 -18.639 1.00 0.00 S ATOM 0 H CYS A 51 0.509 0.097 -14.393 1.00 0.00 H new ATOM 0 HA CYS A 51 0.068 -2.028 -16.184 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.570 0.364 -16.518 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.124 0.782 -16.682 1.00 0.00 H new ATOM 694 N ASN A 52 3.151 -1.423 -15.532 1.00 0.00 N ATOM 695 CA ASN A 52 4.528 -1.832 -15.782 1.00 0.00 C ATOM 696 C ASN A 52 4.751 -3.281 -15.359 1.00 0.00 C ATOM 697 O ASN A 52 5.473 -4.028 -16.020 1.00 0.00 O ATOM 698 CB ASN A 52 5.498 -0.916 -15.034 1.00 0.00 C ATOM 699 CG ASN A 52 5.852 0.325 -15.830 1.00 0.00 C ATOM 700 OD1 ASN A 52 6.272 0.238 -16.984 1.00 0.00 O ATOM 701 ND2 ASN A 52 5.682 1.490 -15.215 1.00 0.00 N ATOM 0 H ASN A 52 3.015 -0.908 -14.662 1.00 0.00 H new ATOM 0 HA ASN A 52 4.715 -1.752 -16.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.054 -0.620 -14.083 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.409 -1.468 -14.802 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.902 2.360 -15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.331 1.515 -14.258 1.00 0.00 H new ATOM 708 N CYS A 53 4.124 -3.672 -14.255 1.00 0.00 N ATOM 709 CA CYS A 53 4.253 -5.031 -13.742 1.00 0.00 C ATOM 710 C CYS A 53 3.601 -6.034 -14.690 1.00 0.00 C ATOM 711 O CYS A 53 4.100 -7.144 -14.876 1.00 0.00 O ATOM 712 CB CYS A 53 3.618 -5.138 -12.354 1.00 0.00 C ATOM 713 SG CYS A 53 4.054 -6.659 -11.452 1.00 0.00 S ATOM 0 H CYS A 53 3.521 -3.067 -13.698 1.00 0.00 H new ATOM 0 HA CYS A 53 5.315 -5.265 -13.667 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.922 -4.276 -11.760 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.534 -5.088 -12.457 1.00 0.00 H new ATOM 718 N LEU A 54 2.483 -5.634 -15.287 1.00 0.00 N ATOM 719 CA LEU A 54 1.762 -6.497 -16.217 1.00 0.00 C ATOM 720 C LEU A 54 2.602 -6.784 -17.457 1.00 0.00 C ATOM 721 O LEU A 54 2.385 -7.777 -18.151 1.00 0.00 O ATOM 722 CB LEU A 54 0.438 -5.847 -16.623 1.00 0.00 C ATOM 723 CG LEU A 54 -0.510 -5.483 -15.479 1.00 0.00 C ATOM 724 CD1 LEU A 54 -1.385 -4.302 -15.867 1.00 0.00 C ATOM 725 CD2 LEU A 54 -1.366 -6.680 -15.094 1.00 0.00 C ATOM 0 H LEU A 54 2.057 -4.719 -15.144 1.00 0.00 H new ATOM 0 HA LEU A 54 1.557 -7.442 -15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.659 -4.941 -17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.084 -6.524 -17.299 1.00 0.00 H new ATOM 0 HG LEU A 54 0.088 -5.197 -14.614 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.053 -4.057 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.755 -3.441 -16.092 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.975 -4.560 -16.747 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.034 -6.402 -14.279 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.955 -6.997 -15.954 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.723 -7.499 -14.773 1.00 0.00 H new ATOM 737 N LYS A 55 3.564 -5.909 -17.729 1.00 0.00 N ATOM 738 CA LYS A 55 4.440 -6.069 -18.883 1.00 0.00 C ATOM 739 C LYS A 55 5.480 -7.156 -18.630 1.00 0.00 C ATOM 740 O LYS A 55 5.913 -7.842 -19.556 1.00 0.00 O ATOM 741 CB LYS A 55 5.138 -4.746 -19.207 1.00 0.00 C ATOM 742 CG LYS A 55 4.363 -3.871 -20.177 1.00 0.00 C ATOM 743 CD LYS A 55 5.004 -2.501 -20.326 1.00 0.00 C ATOM 744 CE LYS A 55 6.108 -2.513 -21.372 1.00 0.00 C ATOM 745 NZ LYS A 55 7.424 -2.890 -20.785 1.00 0.00 N ATOM 0 H LYS A 55 3.757 -5.081 -17.165 1.00 0.00 H new ATOM 0 HA LYS A 55 3.828 -6.367 -19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.299 -4.193 -18.281 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.121 -4.957 -19.627 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.315 -4.359 -21.150 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.337 -3.758 -19.826 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.244 -1.771 -20.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.413 -2.183 -19.367 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.850 -3.215 -22.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.184 -1.527 -21.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.178 -2.337 -21.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.418 -2.693 -19.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.596 -3.904 -20.941 1.00 0.00 H new ATOM 759 N SER A 56 5.876 -7.308 -17.371 1.00 0.00 N ATOM 760 CA SER A 56 6.867 -8.311 -16.997 1.00 0.00 C ATOM 761 C SER A 56 6.253 -9.707 -16.995 1.00 0.00 C ATOM 762 O SER A 56 6.665 -10.579 -17.760 1.00 0.00 O ATOM 763 CB SER A 56 7.447 -7.995 -15.617 1.00 0.00 C ATOM 764 OG SER A 56 8.050 -9.142 -15.042 1.00 0.00 O ATOM 0 H SER A 56 5.526 -6.750 -16.592 1.00 0.00 H new ATOM 0 HA SER A 56 7.669 -8.287 -17.735 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.185 -7.197 -15.703 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.656 -7.629 -14.962 1.00 0.00 H new ATOM 0 HG SER A 56 8.414 -8.913 -14.161 1.00 0.00 H new ATOM 770 N ALA A 57 5.265 -9.912 -16.130 1.00 0.00 N ATOM 771 CA ALA A 57 4.592 -11.201 -16.030 1.00 0.00 C ATOM 772 C ALA A 57 3.984 -11.609 -17.367 1.00 0.00 C ATOM 773 O ALA A 57 3.739 -12.789 -17.615 1.00 0.00 O ATOM 774 CB ALA A 57 3.519 -11.153 -14.952 1.00 0.00 C ATOM 0 H ALA A 57 4.913 -9.202 -15.488 1.00 0.00 H new ATOM 0 HA ALA A 57 5.334 -11.950 -15.756 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.024 -12.122 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.978 -10.916 -13.992 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.785 -10.387 -15.203 1.00 0.00 H new ATOM 780 N ALA A 58 3.742 -10.624 -18.227 1.00 0.00 N ATOM 781 CA ALA A 58 3.164 -10.881 -19.540 1.00 0.00 C ATOM 782 C ALA A 58 4.004 -11.884 -20.323 1.00 0.00 C ATOM 783 O ALA A 58 3.471 -12.727 -21.043 1.00 0.00 O ATOM 784 CB ALA A 58 3.026 -9.582 -20.320 1.00 0.00 C ATOM 0 H ALA A 58 3.938 -9.641 -18.037 1.00 0.00 H new ATOM 0 HA ALA A 58 2.173 -11.312 -19.395 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.593 -9.789 -21.299 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.377 -8.897 -19.774 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.009 -9.128 -20.447 1.00 0.00 H new ATOM 790 N GLY A 59 5.322 -11.786 -20.178 1.00 0.00 N ATOM 791 CA GLY A 59 6.215 -12.690 -20.879 1.00 0.00 C ATOM 792 C GLY A 59 6.353 -14.027 -20.178 1.00 0.00 C ATOM 793 O GLY A 59 7.240 -14.817 -20.503 1.00 0.00 O ATOM 0 H GLY A 59 5.787 -11.097 -19.588 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.844 -12.850 -21.891 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.198 -12.227 -20.970 1.00 0.00 H new ATOM 797 N SER A 60 5.475 -14.281 -19.213 1.00 0.00 N ATOM 798 CA SER A 60 5.506 -15.530 -18.461 1.00 0.00 C ATOM 799 C SER A 60 4.285 -16.387 -18.779 1.00 0.00 C ATOM 800 O SER A 60 4.009 -17.372 -18.093 1.00 0.00 O ATOM 801 CB SER A 60 5.566 -15.244 -16.959 1.00 0.00 C ATOM 802 OG SER A 60 5.895 -16.413 -16.229 1.00 0.00 O ATOM 0 H SER A 60 4.734 -13.639 -18.934 1.00 0.00 H new ATOM 0 HA SER A 60 6.400 -16.080 -18.755 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.307 -14.469 -16.763 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.604 -14.859 -16.620 1.00 0.00 H new ATOM 0 HG SER A 60 5.384 -17.172 -16.580 1.00 0.00 H new ATOM 808 N ILE A 61 3.557 -16.004 -19.823 1.00 0.00 N ATOM 809 CA ILE A 61 2.366 -16.737 -20.233 1.00 0.00 C ATOM 810 C ILE A 61 2.663 -17.648 -21.420 1.00 0.00 C ATOM 811 O ILE A 61 3.223 -17.228 -22.432 1.00 0.00 O ATOM 812 CB ILE A 61 1.218 -15.781 -20.608 1.00 0.00 C ATOM 813 CG1 ILE A 61 0.727 -15.029 -19.370 1.00 0.00 C ATOM 814 CG2 ILE A 61 0.077 -16.552 -21.254 1.00 0.00 C ATOM 815 CD1 ILE A 61 1.451 -13.723 -19.129 1.00 0.00 C ATOM 0 H ILE A 61 3.771 -15.191 -20.400 1.00 0.00 H new ATOM 0 HA ILE A 61 2.059 -17.343 -19.381 1.00 0.00 H new ATOM 0 HB ILE A 61 1.591 -15.052 -21.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.339 -14.830 -19.475 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.847 -15.668 -18.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.727 -15.863 -21.513 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.437 -17.046 -22.157 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.298 -17.300 -20.556 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.051 -13.245 -18.235 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.515 -13.917 -18.991 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.310 -13.065 -19.987 1.00 0.00 H new ATOM 827 N PRO A 62 2.277 -18.927 -21.295 1.00 0.00 N ATOM 828 CA PRO A 62 2.489 -19.924 -22.348 1.00 0.00 C ATOM 829 C PRO A 62 1.608 -19.675 -23.568 1.00 0.00 C ATOM 830 O PRO A 62 0.380 -19.699 -23.475 1.00 0.00 O ATOM 831 CB PRO A 62 2.104 -21.242 -21.671 1.00 0.00 C ATOM 832 CG PRO A 62 1.155 -20.851 -20.592 1.00 0.00 C ATOM 833 CD PRO A 62 1.604 -19.497 -20.116 1.00 0.00 C ATOM 0 HA PRO A 62 3.511 -19.906 -22.727 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.638 -21.929 -22.378 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.979 -21.748 -21.264 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.132 -20.813 -20.967 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.170 -21.576 -19.778 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.761 -18.883 -19.798 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.281 -19.574 -19.265 1.00 0.00 H new ATOM 841 N LYS A 63 2.242 -19.436 -24.711 1.00 0.00 N ATOM 842 CA LYS A 63 1.517 -19.184 -25.950 1.00 0.00 C ATOM 843 C LYS A 63 0.756 -17.864 -25.877 1.00 0.00 C ATOM 844 O LYS A 63 -0.305 -17.712 -26.485 1.00 0.00 O ATOM 845 CB LYS A 63 0.544 -20.330 -26.238 1.00 0.00 C ATOM 846 CG LYS A 63 1.143 -21.708 -26.011 1.00 0.00 C ATOM 847 CD LYS A 63 0.180 -22.809 -26.421 1.00 0.00 C ATOM 848 CE LYS A 63 0.552 -24.140 -25.786 1.00 0.00 C ATOM 849 NZ LYS A 63 1.764 -24.735 -26.415 1.00 0.00 N ATOM 0 H LYS A 63 3.257 -19.412 -24.805 1.00 0.00 H new ATOM 0 HA LYS A 63 2.244 -19.120 -26.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.336 -20.217 -25.604 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.204 -20.256 -27.271 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.068 -21.802 -26.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.403 -21.824 -24.959 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.833 -22.535 -26.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.181 -22.909 -27.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.729 -23.997 -24.720 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.284 -24.833 -25.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.985 -25.641 -25.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.587 -24.895 -27.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.568 -24.085 -26.303 1.00 0.00 H new ATOM 863 N LEU A 64 1.303 -16.912 -25.130 1.00 0.00 N ATOM 864 CA LEU A 64 0.677 -15.603 -24.978 1.00 0.00 C ATOM 865 C LEU A 64 0.215 -15.061 -26.327 1.00 0.00 C ATOM 866 O LEU A 64 0.888 -15.239 -27.342 1.00 0.00 O ATOM 867 CB LEU A 64 1.652 -14.621 -24.328 1.00 0.00 C ATOM 868 CG LEU A 64 1.491 -13.153 -24.723 1.00 0.00 C ATOM 869 CD1 LEU A 64 1.904 -12.243 -23.577 1.00 0.00 C ATOM 870 CD2 LEU A 64 2.304 -12.845 -25.972 1.00 0.00 C ATOM 0 H LEU A 64 2.179 -17.022 -24.620 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.195 -15.718 -24.335 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.547 -14.699 -23.246 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.667 -14.933 -24.573 1.00 0.00 H new ATOM 0 HG LEU A 64 0.440 -12.969 -24.944 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.783 -11.202 -23.877 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.278 -12.446 -22.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.948 -12.428 -23.323 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.178 -11.796 -26.239 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.358 -13.046 -25.779 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.960 -13.472 -26.794 1.00 0.00 H new ATOM 882 N ASN A 65 -0.936 -14.396 -26.330 1.00 0.00 N ATOM 883 CA ASN A 65 -1.486 -13.826 -27.554 1.00 0.00 C ATOM 884 C ASN A 65 -1.710 -12.324 -27.402 1.00 0.00 C ATOM 885 O ASN A 65 -2.794 -11.882 -27.020 1.00 0.00 O ATOM 886 CB ASN A 65 -2.803 -14.515 -27.915 1.00 0.00 C ATOM 887 CG ASN A 65 -3.060 -14.525 -29.410 1.00 0.00 C ATOM 888 OD1 ASN A 65 -2.127 -14.471 -30.211 1.00 0.00 O ATOM 889 ND2 ASN A 65 -4.330 -14.595 -29.791 1.00 0.00 N ATOM 0 H ASN A 65 -1.505 -14.239 -25.499 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.766 -13.989 -28.356 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.787 -15.540 -27.545 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.625 -14.007 -27.411 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.565 -14.606 -30.784 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.071 -14.638 -29.091 1.00 0.00 H new ATOM 896 N THR A 66 -0.677 -11.544 -27.704 1.00 0.00 N ATOM 897 CA THR A 66 -0.760 -10.092 -27.600 1.00 0.00 C ATOM 898 C THR A 66 -2.008 -9.562 -28.296 1.00 0.00 C ATOM 899 O THR A 66 -2.577 -8.552 -27.885 1.00 0.00 O ATOM 900 CB THR A 66 0.481 -9.414 -28.210 1.00 0.00 C ATOM 901 OG1 THR A 66 0.967 -10.184 -29.316 1.00 0.00 O ATOM 902 CG2 THR A 66 1.581 -9.262 -27.170 1.00 0.00 C ATOM 0 H THR A 66 0.227 -11.893 -28.023 1.00 0.00 H new ATOM 0 HA THR A 66 -0.810 -9.853 -26.538 1.00 0.00 H new ATOM 0 HB THR A 66 0.191 -8.422 -28.558 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.755 -9.745 -29.699 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.447 -8.781 -27.624 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.218 -8.651 -26.343 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.867 -10.245 -26.796 1.00 0.00 H new ATOM 910 N ASN A 67 -2.430 -10.251 -29.352 1.00 0.00 N ATOM 911 CA ASN A 67 -3.612 -9.848 -30.105 1.00 0.00 C ATOM 912 C ASN A 67 -4.856 -9.881 -29.222 1.00 0.00 C ATOM 913 O ASN A 67 -5.701 -8.989 -29.290 1.00 0.00 O ATOM 914 CB ASN A 67 -3.807 -10.763 -31.315 1.00 0.00 C ATOM 915 CG ASN A 67 -4.634 -10.111 -32.406 1.00 0.00 C ATOM 916 OD1 ASN A 67 -5.948 -10.081 -32.215 1.00 0.00 O flip ATOM 917 ND2 ASN A 67 -4.098 -9.639 -33.409 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.971 -11.091 -29.705 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.461 -8.826 -30.452 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.833 -11.040 -31.718 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.294 -11.684 -30.996 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.084 -9.684 -33.515 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.668 -9.203 -34.134 1.00 0.00 H new ATOM 924 N ASN A 68 -4.961 -10.916 -28.395 1.00 0.00 N ATOM 925 CA ASN A 68 -6.102 -11.066 -27.499 1.00 0.00 C ATOM 926 C ASN A 68 -6.080 -9.999 -26.408 1.00 0.00 C ATOM 927 O ASN A 68 -7.123 -9.614 -25.881 1.00 0.00 O ATOM 928 CB ASN A 68 -6.100 -12.459 -26.866 1.00 0.00 C ATOM 929 CG ASN A 68 -6.890 -13.465 -27.681 1.00 0.00 C ATOM 930 OD1 ASN A 68 -6.726 -13.560 -28.898 1.00 0.00 O ATOM 931 ND2 ASN A 68 -7.752 -14.222 -27.013 1.00 0.00 N ATOM 0 H ASN A 68 -4.270 -11.663 -28.327 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.012 -10.942 -28.086 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.072 -12.807 -26.762 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.519 -12.399 -25.862 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.311 -14.917 -27.508 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.855 -14.109 -26.005 1.00 0.00 H new ATOM 938 N ALA A 69 -4.884 -9.526 -26.074 1.00 0.00 N ATOM 939 CA ALA A 69 -4.726 -8.503 -25.048 1.00 0.00 C ATOM 940 C ALA A 69 -5.438 -7.214 -25.444 1.00 0.00 C ATOM 941 O ALA A 69 -5.806 -6.409 -24.589 1.00 0.00 O ATOM 942 CB ALA A 69 -3.250 -8.236 -24.792 1.00 0.00 C ATOM 0 H ALA A 69 -4.010 -9.835 -26.499 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.182 -8.871 -24.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.147 -7.470 -24.024 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.767 -9.154 -24.457 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.777 -7.893 -25.712 1.00 0.00 H new ATOM 948 N ALA A 70 -5.629 -7.025 -26.746 1.00 0.00 N ATOM 949 CA ALA A 70 -6.298 -5.834 -27.254 1.00 0.00 C ATOM 950 C ALA A 70 -7.806 -5.917 -27.038 1.00 0.00 C ATOM 951 O ALA A 70 -8.460 -4.910 -26.772 1.00 0.00 O ATOM 952 CB ALA A 70 -5.985 -5.643 -28.731 1.00 0.00 C ATOM 0 H ALA A 70 -5.330 -7.681 -27.467 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.924 -4.973 -26.700 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.491 -4.750 -29.098 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.909 -5.531 -28.863 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.331 -6.512 -29.291 1.00 0.00 H new ATOM 958 N ALA A 71 -8.350 -7.124 -27.155 1.00 0.00 N ATOM 959 CA ALA A 71 -9.780 -7.338 -26.971 1.00 0.00 C ATOM 960 C ALA A 71 -10.116 -7.565 -25.501 1.00 0.00 C ATOM 961 O ALA A 71 -11.285 -7.560 -25.114 1.00 0.00 O ATOM 962 CB ALA A 71 -10.249 -8.517 -27.810 1.00 0.00 C ATOM 0 H ALA A 71 -7.822 -7.968 -27.376 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.303 -6.440 -27.302 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.319 -8.666 -27.663 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.052 -8.316 -28.863 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.713 -9.416 -27.506 1.00 0.00 H new ATOM 968 N LEU A 72 -9.086 -7.764 -24.688 1.00 0.00 N ATOM 969 CA LEU A 72 -9.272 -7.994 -23.259 1.00 0.00 C ATOM 970 C LEU A 72 -10.170 -6.924 -22.648 1.00 0.00 C ATOM 971 O LEU A 72 -11.218 -7.214 -22.070 1.00 0.00 O ATOM 972 CB LEU A 72 -7.920 -8.010 -22.544 1.00 0.00 C ATOM 973 CG LEU A 72 -7.921 -7.523 -21.095 1.00 0.00 C ATOM 974 CD1 LEU A 72 -8.867 -8.361 -20.250 1.00 0.00 C ATOM 975 CD2 LEU A 72 -6.513 -7.560 -20.519 1.00 0.00 C ATOM 0 H LEU A 72 -8.113 -7.771 -24.993 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.754 -8.963 -23.132 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.533 -9.029 -22.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.224 -7.394 -23.113 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.271 -6.491 -21.079 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.854 -7.999 -19.222 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.878 -8.282 -20.650 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.548 -9.403 -20.272 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.533 -7.210 -19.487 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.135 -8.582 -20.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.862 -6.915 -21.108 1.00 0.00 H new ATOM 987 N PRO A 73 -9.754 -5.656 -22.779 1.00 0.00 N ATOM 988 CA PRO A 73 -10.508 -4.516 -22.249 1.00 0.00 C ATOM 989 C PRO A 73 -11.804 -4.272 -23.013 1.00 0.00 C ATOM 990 O PRO A 73 -12.873 -4.142 -22.417 1.00 0.00 O ATOM 991 CB PRO A 73 -9.548 -3.338 -22.435 1.00 0.00 C ATOM 992 CG PRO A 73 -8.664 -3.744 -23.563 1.00 0.00 C ATOM 993 CD PRO A 73 -8.515 -5.237 -23.456 1.00 0.00 C ATOM 0 HA PRO A 73 -10.814 -4.676 -21.215 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.088 -2.420 -22.666 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.972 -3.150 -21.529 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.101 -3.463 -24.521 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.695 -3.249 -23.497 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.416 -5.702 -24.437 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.630 -5.512 -22.882 1.00 0.00 H new ATOM 1001 N GLY A 74 -11.703 -4.211 -24.338 1.00 0.00 N ATOM 1002 CA GLY A 74 -12.876 -3.984 -25.162 1.00 0.00 C ATOM 1003 C GLY A 74 -14.003 -4.945 -24.843 1.00 0.00 C ATOM 1004 O GLY A 74 -15.144 -4.530 -24.636 1.00 0.00 O ATOM 0 H GLY A 74 -10.830 -4.315 -24.855 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.224 -2.961 -25.020 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.603 -4.085 -26.213 1.00 0.00 H new ATOM 1008 N LYS A 75 -13.686 -6.235 -24.806 1.00 0.00 N ATOM 1009 CA LYS A 75 -14.681 -7.260 -24.512 1.00 0.00 C ATOM 1010 C LYS A 75 -15.132 -7.178 -23.057 1.00 0.00 C ATOM 1011 O LYS A 75 -16.257 -7.551 -22.723 1.00 0.00 O ATOM 1012 CB LYS A 75 -14.112 -8.650 -24.803 1.00 0.00 C ATOM 1013 CG LYS A 75 -13.979 -8.954 -26.285 1.00 0.00 C ATOM 1014 CD LYS A 75 -15.329 -9.245 -26.918 1.00 0.00 C ATOM 1015 CE LYS A 75 -15.768 -10.679 -26.662 1.00 0.00 C ATOM 1016 NZ LYS A 75 -15.121 -11.633 -27.605 1.00 0.00 N ATOM 0 H LYS A 75 -12.747 -6.596 -24.976 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.546 -7.087 -25.153 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.132 -8.738 -24.333 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.755 -9.400 -24.343 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.514 -8.108 -26.791 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.319 -9.810 -26.424 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.075 -8.558 -26.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.274 -9.066 -27.992 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.521 -10.957 -25.637 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.851 -10.750 -26.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.446 -12.599 -27.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.377 -11.383 -28.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.088 -11.584 -27.494 1.00 0.00 H new ATOM 1030 N CYS A 76 -14.248 -6.686 -22.195 1.00 0.00 N ATOM 1031 CA CYS A 76 -14.555 -6.555 -20.776 1.00 0.00 C ATOM 1032 C CYS A 76 -15.488 -5.373 -20.529 1.00 0.00 C ATOM 1033 O CYS A 76 -16.117 -5.275 -19.476 1.00 0.00 O ATOM 1034 CB CYS A 76 -13.267 -6.379 -19.968 1.00 0.00 C ATOM 1035 SG CYS A 76 -12.530 -7.943 -19.396 1.00 0.00 S ATOM 0 H CYS A 76 -13.313 -6.371 -22.455 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.057 -7.467 -20.453 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.537 -5.848 -20.579 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -13.477 -5.750 -19.103 1.00 0.00 H new ATOM 1040 N GLY A 77 -15.572 -4.477 -21.508 1.00 0.00 N ATOM 1041 CA GLY A 77 -16.430 -3.314 -21.378 1.00 0.00 C ATOM 1042 C GLY A 77 -15.705 -2.122 -20.786 1.00 0.00 C ATOM 1043 O GLY A 77 -16.295 -1.058 -20.598 1.00 0.00 O ATOM 0 H GLY A 77 -15.061 -4.536 -22.389 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.824 -3.046 -22.358 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.284 -3.565 -20.749 1.00 0.00 H new ATOM 1047 N VAL A 78 -14.421 -2.299 -20.490 1.00 0.00 N ATOM 1048 CA VAL A 78 -13.614 -1.229 -19.915 1.00 0.00 C ATOM 1049 C VAL A 78 -12.892 -0.441 -21.002 1.00 0.00 C ATOM 1050 O VAL A 78 -12.359 -1.017 -21.951 1.00 0.00 O ATOM 1051 CB VAL A 78 -12.575 -1.782 -18.921 1.00 0.00 C ATOM 1052 CG1 VAL A 78 -13.266 -2.385 -17.707 1.00 0.00 C ATOM 1053 CG2 VAL A 78 -11.682 -2.808 -19.601 1.00 0.00 C ATOM 0 H VAL A 78 -13.917 -3.173 -20.639 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.298 -0.567 -19.384 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.948 -0.958 -18.580 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.516 -2.771 -17.016 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.859 -1.619 -17.208 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.918 -3.198 -18.026 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.954 -3.188 -18.885 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.291 -3.632 -19.971 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.160 -2.340 -20.435 1.00 0.00 H new ATOM 1063 N SER A 79 -12.878 0.880 -20.857 1.00 0.00 N ATOM 1064 CA SER A 79 -12.224 1.749 -21.829 1.00 0.00 C ATOM 1065 C SER A 79 -11.027 2.459 -21.203 1.00 0.00 C ATOM 1066 O SER A 79 -11.133 3.044 -20.125 1.00 0.00 O ATOM 1067 CB SER A 79 -13.215 2.779 -22.373 1.00 0.00 C ATOM 1068 OG SER A 79 -12.542 3.922 -22.870 1.00 0.00 O ATOM 0 H SER A 79 -13.312 1.372 -20.076 1.00 0.00 H new ATOM 0 HA SER A 79 -11.868 1.129 -22.652 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.811 2.330 -23.168 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.906 3.075 -21.584 1.00 0.00 H new ATOM 0 HG SER A 79 -13.198 4.564 -23.213 1.00 0.00 H new ATOM 1074 N ILE A 80 -9.890 2.404 -21.888 1.00 0.00 N ATOM 1075 CA ILE A 80 -8.673 3.042 -21.401 1.00 0.00 C ATOM 1076 C ILE A 80 -8.165 4.084 -22.391 1.00 0.00 C ATOM 1077 O ILE A 80 -8.451 4.032 -23.588 1.00 0.00 O ATOM 1078 CB ILE A 80 -7.560 2.009 -21.144 1.00 0.00 C ATOM 1079 CG1 ILE A 80 -7.482 1.012 -22.301 1.00 0.00 C ATOM 1080 CG2 ILE A 80 -7.804 1.285 -19.828 1.00 0.00 C ATOM 1081 CD1 ILE A 80 -8.375 -0.195 -22.120 1.00 0.00 C ATOM 0 H ILE A 80 -9.786 1.924 -22.782 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.928 3.531 -20.461 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.606 2.533 -21.077 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.754 1.520 -23.226 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.451 0.677 -22.413 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.009 0.558 -19.660 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.814 2.007 -19.012 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.764 0.770 -19.868 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.268 -0.859 -22.978 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.089 -0.726 -21.212 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.413 0.129 -22.039 1.00 0.00 H new ATOM 1093 N PRO A 81 -7.391 5.055 -21.884 1.00 0.00 N ATOM 1094 CA PRO A 81 -6.824 6.127 -22.707 1.00 0.00 C ATOM 1095 C PRO A 81 -5.739 5.621 -23.651 1.00 0.00 C ATOM 1096 O PRO A 81 -5.314 6.333 -24.561 1.00 0.00 O ATOM 1097 CB PRO A 81 -6.230 7.090 -21.675 1.00 0.00 C ATOM 1098 CG PRO A 81 -5.943 6.240 -20.486 1.00 0.00 C ATOM 1099 CD PRO A 81 -7.010 5.180 -20.467 1.00 0.00 C ATOM 0 HA PRO A 81 -7.573 6.583 -23.354 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.323 7.564 -22.051 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.929 7.889 -21.431 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.951 5.794 -20.556 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.963 6.831 -19.570 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.634 4.238 -20.067 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.857 5.474 -19.847 1.00 0.00 H new ATOM 1107 N TYR A 82 -5.295 4.389 -23.428 1.00 0.00 N ATOM 1108 CA TYR A 82 -4.258 3.789 -24.258 1.00 0.00 C ATOM 1109 C TYR A 82 -4.650 2.377 -24.684 1.00 0.00 C ATOM 1110 O TYR A 82 -5.778 1.938 -24.460 1.00 0.00 O ATOM 1111 CB TYR A 82 -2.928 3.756 -23.504 1.00 0.00 C ATOM 1112 CG TYR A 82 -2.882 2.723 -22.401 1.00 0.00 C ATOM 1113 CD1 TYR A 82 -3.649 2.871 -21.252 1.00 0.00 C ATOM 1114 CD2 TYR A 82 -2.072 1.599 -22.508 1.00 0.00 C ATOM 1115 CE1 TYR A 82 -3.611 1.930 -20.241 1.00 0.00 C ATOM 1116 CE2 TYR A 82 -2.029 0.652 -21.502 1.00 0.00 C ATOM 1117 CZ TYR A 82 -2.799 0.822 -20.371 1.00 0.00 C ATOM 1118 OH TYR A 82 -2.758 -0.118 -19.367 1.00 0.00 O ATOM 0 H TYR A 82 -5.637 3.787 -22.679 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.145 4.401 -25.153 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.124 3.555 -24.212 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.738 4.740 -23.076 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.286 3.737 -21.147 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.466 1.463 -23.392 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.213 2.061 -19.354 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.395 -0.217 -21.601 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.842 -0.194 -19.028 1.00 0.00 H new ATOM 1128 N LYS A 83 -3.709 1.669 -25.299 1.00 0.00 N ATOM 1129 CA LYS A 83 -3.952 0.305 -25.755 1.00 0.00 C ATOM 1130 C LYS A 83 -3.153 -0.696 -24.927 1.00 0.00 C ATOM 1131 O LYS A 83 -2.003 -0.442 -24.569 1.00 0.00 O ATOM 1132 CB LYS A 83 -3.585 0.168 -27.234 1.00 0.00 C ATOM 1133 CG LYS A 83 -3.162 -1.237 -27.628 1.00 0.00 C ATOM 1134 CD LYS A 83 -2.917 -1.347 -29.123 1.00 0.00 C ATOM 1135 CE LYS A 83 -4.183 -1.739 -29.869 1.00 0.00 C ATOM 1136 NZ LYS A 83 -4.200 -1.198 -31.256 1.00 0.00 N ATOM 0 H LYS A 83 -2.770 2.017 -25.493 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.013 0.089 -25.628 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.440 0.465 -27.841 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.775 0.860 -27.464 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.255 -1.509 -27.089 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.934 -1.947 -27.332 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.550 -0.394 -29.503 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.139 -2.087 -29.312 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.263 -2.826 -29.902 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.053 -1.372 -29.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.079 -1.487 -31.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.149 -0.160 -31.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.384 -1.569 -31.783 1.00 0.00 H new ATOM 1150 N ILE A 84 -3.770 -1.834 -24.627 1.00 0.00 N ATOM 1151 CA ILE A 84 -3.115 -2.874 -23.843 1.00 0.00 C ATOM 1152 C ILE A 84 -2.301 -3.804 -24.736 1.00 0.00 C ATOM 1153 O ILE A 84 -2.788 -4.849 -25.168 1.00 0.00 O ATOM 1154 CB ILE A 84 -4.136 -3.707 -23.048 1.00 0.00 C ATOM 1155 CG1 ILE A 84 -4.952 -2.805 -22.119 1.00 0.00 C ATOM 1156 CG2 ILE A 84 -3.429 -4.794 -22.252 1.00 0.00 C ATOM 1157 CD1 ILE A 84 -6.057 -3.532 -21.386 1.00 0.00 C ATOM 0 H ILE A 84 -4.722 -2.059 -24.915 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.448 -2.370 -23.144 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.818 -4.184 -23.752 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.283 -2.348 -21.390 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.387 -1.994 -22.703 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.165 -5.374 -21.695 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.889 -5.451 -22.934 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.726 -4.336 -21.556 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.593 -2.830 -20.747 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.749 -3.966 -22.108 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.627 -4.325 -20.774 1.00 0.00 H new ATOM 1169 N SER A 85 -1.058 -3.419 -25.007 1.00 0.00 N ATOM 1170 CA SER A 85 -0.176 -4.217 -25.850 1.00 0.00 C ATOM 1171 C SER A 85 1.282 -4.027 -25.444 1.00 0.00 C ATOM 1172 O SER A 85 1.650 -3.003 -24.867 1.00 0.00 O ATOM 1173 CB SER A 85 -0.362 -3.840 -27.320 1.00 0.00 C ATOM 1174 OG SER A 85 0.839 -4.023 -28.050 1.00 0.00 O ATOM 0 H SER A 85 -0.639 -2.558 -24.655 1.00 0.00 H new ATOM 0 HA SER A 85 -0.438 -5.267 -25.716 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.153 -4.449 -27.757 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.682 -2.801 -27.394 1.00 0.00 H new ATOM 0 HG SER A 85 0.693 -3.777 -28.987 1.00 0.00 H new ATOM 1180 N THR A 86 2.110 -5.020 -25.752 1.00 0.00 N ATOM 1181 CA THR A 86 3.528 -4.964 -25.420 1.00 0.00 C ATOM 1182 C THR A 86 4.236 -3.871 -26.212 1.00 0.00 C ATOM 1183 O THR A 86 5.283 -3.372 -25.801 1.00 0.00 O ATOM 1184 CB THR A 86 4.223 -6.312 -25.693 1.00 0.00 C ATOM 1185 OG1 THR A 86 3.889 -6.778 -27.005 1.00 0.00 O ATOM 1186 CG2 THR A 86 3.813 -7.351 -24.660 1.00 0.00 C ATOM 0 H THR A 86 1.823 -5.873 -26.231 1.00 0.00 H new ATOM 0 HA THR A 86 3.594 -4.738 -24.356 1.00 0.00 H new ATOM 0 HB THR A 86 5.300 -6.161 -25.625 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.336 -7.634 -27.172 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.316 -8.294 -24.873 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.095 -7.006 -23.665 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.734 -7.498 -24.701 1.00 0.00 H new ATOM 1194 N SER A 87 3.656 -3.502 -27.350 1.00 0.00 N ATOM 1195 CA SER A 87 4.234 -2.469 -28.202 1.00 0.00 C ATOM 1196 C SER A 87 3.765 -1.083 -27.769 1.00 0.00 C ATOM 1197 O SER A 87 4.393 -0.073 -28.089 1.00 0.00 O ATOM 1198 CB SER A 87 3.856 -2.714 -29.664 1.00 0.00 C ATOM 1199 OG SER A 87 3.695 -4.097 -29.924 1.00 0.00 O ATOM 0 H SER A 87 2.787 -3.903 -27.703 1.00 0.00 H new ATOM 0 HA SER A 87 5.318 -2.514 -28.102 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.931 -2.187 -29.897 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.628 -2.306 -30.316 1.00 0.00 H new ATOM 0 HG SER A 87 3.452 -4.227 -30.864 1.00 0.00 H new ATOM 1205 N THR A 88 2.655 -1.042 -27.039 1.00 0.00 N ATOM 1206 CA THR A 88 2.100 0.219 -26.562 1.00 0.00 C ATOM 1207 C THR A 88 2.968 0.822 -25.464 1.00 0.00 C ATOM 1208 O THR A 88 3.423 0.118 -24.563 1.00 0.00 O ATOM 1209 CB THR A 88 0.667 0.034 -26.026 1.00 0.00 C ATOM 1210 OG1 THR A 88 -0.192 -0.431 -27.072 1.00 0.00 O ATOM 1211 CG2 THR A 88 0.128 1.341 -25.463 1.00 0.00 C ATOM 0 H THR A 88 2.122 -1.868 -26.765 1.00 0.00 H new ATOM 0 HA THR A 88 2.077 0.897 -27.415 1.00 0.00 H new ATOM 0 HB THR A 88 0.695 -0.705 -25.225 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.587 0.336 -27.536 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.885 1.187 -25.090 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.768 1.677 -24.647 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.114 2.097 -26.248 1.00 0.00 H new ATOM 1219 N ASN A 89 3.193 2.129 -25.545 1.00 0.00 N ATOM 1220 CA ASN A 89 4.008 2.827 -24.557 1.00 0.00 C ATOM 1221 C ASN A 89 3.146 3.340 -23.407 1.00 0.00 C ATOM 1222 O ASN A 89 2.710 4.491 -23.409 1.00 0.00 O ATOM 1223 CB ASN A 89 4.752 3.993 -25.210 1.00 0.00 C ATOM 1224 CG ASN A 89 6.027 4.351 -24.472 1.00 0.00 C ATOM 1225 OD1 ASN A 89 6.163 4.083 -23.278 1.00 0.00 O ATOM 1226 ND2 ASN A 89 6.970 4.961 -25.181 1.00 0.00 N ATOM 0 H ASN A 89 2.823 2.726 -26.284 1.00 0.00 H new ATOM 0 HA ASN A 89 4.735 2.120 -24.157 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.993 3.735 -26.241 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.098 4.864 -25.244 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.850 5.227 -24.738 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.815 5.164 -26.169 1.00 0.00 H new ATOM 1233 N CYS A 90 2.906 2.478 -22.424 1.00 0.00 N ATOM 1234 CA CYS A 90 2.098 2.842 -21.267 1.00 0.00 C ATOM 1235 C CYS A 90 2.696 4.043 -20.542 1.00 0.00 C ATOM 1236 O CYS A 90 2.004 4.746 -19.807 1.00 0.00 O ATOM 1237 CB CYS A 90 1.982 1.657 -20.306 1.00 0.00 C ATOM 1238 SG CYS A 90 0.427 1.617 -19.358 1.00 0.00 S ATOM 0 H CYS A 90 3.260 1.522 -22.406 1.00 0.00 H new ATOM 0 HA CYS A 90 1.103 3.112 -21.621 1.00 0.00 H new ATOM 0 HB2 CYS A 90 2.072 0.732 -20.875 1.00 0.00 H new ATOM 0 HB3 CYS A 90 2.819 1.685 -19.609 1.00 0.00 H new ATOM 1243 N ASN A 91 3.988 4.272 -20.754 1.00 0.00 N ATOM 1244 CA ASN A 91 4.681 5.388 -20.121 1.00 0.00 C ATOM 1245 C ASN A 91 4.129 6.722 -20.615 1.00 0.00 C ATOM 1246 O ASN A 91 4.303 7.757 -19.969 1.00 0.00 O ATOM 1247 CB ASN A 91 6.183 5.309 -20.402 1.00 0.00 C ATOM 1248 CG ASN A 91 7.003 6.078 -19.384 1.00 0.00 C ATOM 1249 OD1 ASN A 91 8.050 5.445 -18.868 1.00 0.00 O flip ATOM 1250 ND2 ASN A 91 6.699 7.228 -19.066 1.00 0.00 N flip ATOM 0 H ASN A 91 4.576 3.699 -21.359 1.00 0.00 H new ATOM 0 HA ASN A 91 4.516 5.323 -19.046 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.495 4.265 -20.402 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.385 5.702 -21.398 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.886 7.676 -19.488 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.261 7.733 -18.380 1.00 0.00 H new ATOM 1257 N THR A 92 3.462 6.691 -21.764 1.00 0.00 N ATOM 1258 CA THR A 92 2.885 7.897 -22.345 1.00 0.00 C ATOM 1259 C THR A 92 1.427 8.063 -21.932 1.00 0.00 C ATOM 1260 O THR A 92 0.673 8.804 -22.563 1.00 0.00 O ATOM 1261 CB THR A 92 2.971 7.876 -23.883 1.00 0.00 C ATOM 1262 OG1 THR A 92 2.155 6.822 -24.405 1.00 0.00 O ATOM 1263 CG2 THR A 92 4.409 7.685 -24.342 1.00 0.00 C ATOM 0 H THR A 92 3.308 5.844 -22.311 1.00 0.00 H new ATOM 0 HA THR A 92 3.465 8.739 -21.967 1.00 0.00 H new ATOM 0 HB THR A 92 2.610 8.834 -24.258 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.486 5.960 -24.078 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.445 7.673 -25.431 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.022 8.505 -23.968 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.792 6.740 -23.956 1.00 0.00 H new ATOM 1271 N VAL A 93 1.036 7.369 -20.868 1.00 0.00 N ATOM 1272 CA VAL A 93 -0.333 7.441 -20.369 1.00 0.00 C ATOM 1273 C VAL A 93 -0.469 8.511 -19.292 1.00 0.00 C ATOM 1274 O VAL A 93 0.455 8.742 -18.512 1.00 0.00 O ATOM 1275 CB VAL A 93 -0.792 6.088 -19.794 1.00 0.00 C ATOM 1276 CG1 VAL A 93 -2.215 6.189 -19.265 1.00 0.00 C ATOM 1277 CG2 VAL A 93 -0.683 4.997 -20.848 1.00 0.00 C ATOM 0 H VAL A 93 1.647 6.751 -20.335 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.966 7.701 -21.217 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.138 5.825 -18.963 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.523 5.224 -18.863 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.258 6.941 -18.477 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.885 6.474 -20.076 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.011 4.048 -20.424 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.312 5.251 -21.701 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.353 4.909 -21.175 1.00 0.00 H new ATOM 1287 N ARG A 94 -1.627 9.162 -19.255 1.00 0.00 N ATOM 1288 CA ARG A 94 -1.885 10.209 -18.274 1.00 0.00 C ATOM 1289 C ARG A 94 -2.137 9.610 -16.893 1.00 0.00 C ATOM 1290 O ARG A 94 -2.092 8.392 -16.716 1.00 0.00 O ATOM 1291 CB ARG A 94 -3.085 11.055 -18.702 1.00 0.00 C ATOM 1292 CG ARG A 94 -2.804 11.951 -19.897 1.00 0.00 C ATOM 1293 CD ARG A 94 -4.082 12.568 -20.444 1.00 0.00 C ATOM 1294 NE ARG A 94 -4.911 11.585 -21.137 1.00 0.00 N ATOM 1295 CZ ARG A 94 -6.067 11.880 -21.720 1.00 0.00 C ATOM 1296 NH1 ARG A 94 -6.528 13.123 -21.696 1.00 0.00 N ATOM 1297 NH2 ARG A 94 -6.765 10.930 -22.331 1.00 0.00 N ATOM 0 H ARG A 94 -2.402 8.983 -19.894 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.002 10.846 -18.219 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.918 10.394 -18.942 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.401 11.673 -17.862 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.113 12.742 -19.606 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.314 11.372 -20.680 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.651 13.009 -19.626 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.830 13.377 -21.129 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.584 10.620 -21.175 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.994 13.856 -21.229 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.416 13.346 -22.145 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.413 9.973 -22.353 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.653 11.157 -22.779 1.00 0.00 H new ATOM 1311 N PHE A 95 -2.403 10.474 -15.919 1.00 0.00 N ATOM 1312 CA PHE A 95 -2.661 10.030 -14.554 1.00 0.00 C ATOM 1313 C PHE A 95 -4.140 9.711 -14.356 1.00 0.00 C ATOM 1314 O PHE A 95 -4.615 9.730 -13.222 1.00 0.00 O ATOM 1315 CB PHE A 95 -2.222 11.103 -13.555 1.00 0.00 C ATOM 1316 CG PHE A 95 -0.733 11.285 -13.488 1.00 0.00 C ATOM 1317 CD1 PHE A 95 0.099 10.210 -13.218 1.00 0.00 C ATOM 1318 CD2 PHE A 95 -0.164 12.532 -13.694 1.00 0.00 C ATOM 1319 CE1 PHE A 95 1.470 10.375 -13.155 1.00 0.00 C ATOM 1320 CE2 PHE A 95 1.206 12.702 -13.633 1.00 0.00 C ATOM 1321 CZ PHE A 95 2.024 11.623 -13.362 1.00 0.00 C ATOM 0 H PHE A 95 -2.446 11.485 -16.049 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.085 9.122 -14.379 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.684 12.052 -13.827 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.593 10.840 -12.564 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.329 9.232 -13.055 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.798 13.380 -13.905 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.107 9.529 -12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.637 13.679 -13.797 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.095 11.755 -13.312 1.00 0.00 H new TER 1331 PHE A 95