USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 37 TYR OH : rot -13:sc= -1.34 USER MOD Single : A 38 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.1!) USER MOD Single : A 39 HIS : no HD1:sc= -0.476 K(o=-0.48,f=0.028) USER MOD Single : A 42 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.4) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= -0.622 (180deg=-2.94!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.99) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 78:sc= -0.632 USER MOD Single : A 66 THR OG1 : rot 73:sc= 0.136 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.28) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00862 K(o=-0.0086,f=-1.4) USER MOD Single : B 122 GLN : amide:sc= -0.719 K(o=-0.72,f=-0.089) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.020 -8.345 2.738 1.00 60.40 N ATOM 2 CA ASN A 10 -10.670 -7.792 2.690 1.00 43.10 C ATOM 3 C ASN A 10 -10.237 -7.529 1.252 1.00 74.10 C ATOM 4 O ASN A 10 -9.617 -6.514 0.951 1.00 35.10 O ATOM 5 CB ASN A 10 -9.682 -8.745 3.364 1.00 11.20 C ATOM 6 CG ASN A 10 -10.162 -9.212 4.724 1.00 44.20 C ATOM 7 OD1 ASN A 10 -10.625 -8.418 5.539 1.00 63.50 O ATOM 8 ND2 ASN A 10 -10.066 -10.515 4.969 1.00 51.30 N ATOM 0 HA ASN A 10 -10.676 -6.843 3.227 1.00 43.10 H new ATOM 0 HB2 ASN A 10 -9.522 -9.611 2.722 1.00 11.20 H new ATOM 0 HB3 ASN A 10 -8.719 -8.247 3.474 1.00 11.20 H new ATOM 0 HD21 ASN A 10 -10.384 -10.891 5.863 1.00 51.30 H new ATOM 0 HD22 ASN A 10 -9.675 -11.139 4.263 1.00 51.30 H new ATOM 15 N LEU A 11 -10.580 -8.458 0.360 1.00 52.20 N ATOM 16 CA LEU A 11 -10.231 -8.329 -1.050 1.00 20.10 C ATOM 17 C LEU A 11 -10.918 -7.117 -1.671 1.00 61.30 C ATOM 18 O LEU A 11 -10.309 -6.360 -2.425 1.00 45.40 O ATOM 19 CB LEU A 11 -10.615 -9.600 -1.811 1.00 15.10 C ATOM 20 CG LEU A 11 -9.685 -9.962 -2.970 1.00 60.20 C ATOM 21 CD1 LEU A 11 -9.631 -11.470 -3.156 1.00 44.40 C ATOM 22 CD2 LEU A 11 -10.145 -9.282 -4.252 1.00 24.30 C ATOM 0 H LEU A 11 -11.098 -9.306 0.591 1.00 52.20 H new ATOM 0 HA LEU A 11 -9.153 -8.186 -1.122 1.00 20.10 H new ATOM 0 HB2 LEU A 11 -10.638 -10.433 -1.109 1.00 15.10 H new ATOM 0 HB3 LEU A 11 -11.627 -9.482 -2.199 1.00 15.10 H new ATOM 0 HG LEU A 11 -8.682 -9.608 -2.733 1.00 60.20 H new ATOM 0 HD11 LEU A 11 -8.965 -11.711 -3.985 1.00 44.40 H new ATOM 0 HD12 LEU A 11 -9.258 -11.936 -2.244 1.00 44.40 H new ATOM 0 HD13 LEU A 11 -10.631 -11.846 -3.373 1.00 44.40 H new ATOM 0 HD21 LEU A 11 -9.473 -9.550 -5.067 1.00 24.30 H new ATOM 0 HD22 LEU A 11 -11.157 -9.608 -4.494 1.00 24.30 H new ATOM 0 HD23 LEU A 11 -10.135 -8.201 -4.114 1.00 24.30 H new ATOM 34 N GLN A 12 -12.203 -6.949 -1.356 1.00 51.00 N ATOM 35 CA GLN A 12 -12.973 -5.829 -1.881 1.00 4.03 C ATOM 36 C GLN A 12 -12.423 -4.499 -1.381 1.00 33.40 C ATOM 37 O GLN A 12 -12.346 -3.529 -2.135 1.00 73.20 O ATOM 38 CB GLN A 12 -14.450 -5.972 -1.486 1.00 31.40 C ATOM 39 CG GLN A 12 -15.411 -5.410 -2.515 1.00 73.00 C ATOM 40 CD GLN A 12 -16.770 -5.090 -1.926 1.00 54.30 C ATOM 41 OE1 GLN A 12 -17.550 -5.990 -1.613 1.00 24.30 O ATOM 42 NE2 GLN A 12 -17.065 -3.806 -1.776 1.00 30.20 N ATOM 0 H GLN A 12 -12.727 -7.573 -0.743 1.00 51.00 H new ATOM 0 HA GLN A 12 -12.890 -5.842 -2.968 1.00 4.03 H new ATOM 0 HB2 GLN A 12 -14.675 -7.027 -1.329 1.00 31.40 H new ATOM 0 HB3 GLN A 12 -14.613 -5.466 -0.534 1.00 31.40 H new ATOM 0 HG2 GLN A 12 -14.985 -4.506 -2.950 1.00 73.00 H new ATOM 0 HG3 GLN A 12 -15.530 -6.128 -3.326 1.00 73.00 H new ATOM 0 HE21 GLN A 12 -16.389 -3.092 -2.048 1.00 30.20 H new ATOM 0 HE22 GLN A 12 -17.968 -3.532 -1.388 1.00 30.20 H new ATOM 51 N LYS A 13 -12.047 -4.465 -0.110 1.00 1.04 N ATOM 52 CA LYS A 13 -11.501 -3.252 0.492 1.00 55.30 C ATOM 53 C LYS A 13 -10.090 -2.987 -0.011 1.00 10.50 C ATOM 54 O LYS A 13 -9.669 -1.835 -0.126 1.00 72.20 O ATOM 55 CB LYS A 13 -11.504 -3.373 2.015 1.00 33.20 C ATOM 56 CG LYS A 13 -12.782 -2.878 2.667 1.00 54.20 C ATOM 57 CD LYS A 13 -13.805 -3.992 2.792 1.00 44.10 C ATOM 58 CE LYS A 13 -15.133 -3.475 3.325 1.00 2.40 C ATOM 59 NZ LYS A 13 -15.143 -3.407 4.813 1.00 31.20 N ATOM 0 H LYS A 13 -12.109 -5.261 0.525 1.00 1.04 H new ATOM 0 HA LYS A 13 -12.131 -2.411 0.202 1.00 55.30 H new ATOM 0 HB2 LYS A 13 -11.349 -4.417 2.287 1.00 33.20 H new ATOM 0 HB3 LYS A 13 -10.661 -2.810 2.416 1.00 33.20 H new ATOM 0 HG2 LYS A 13 -12.557 -2.476 3.655 1.00 54.20 H new ATOM 0 HG3 LYS A 13 -13.200 -2.062 2.078 1.00 54.20 H new ATOM 0 HD2 LYS A 13 -13.959 -4.456 1.818 1.00 44.10 H new ATOM 0 HD3 LYS A 13 -13.422 -4.766 3.457 1.00 44.10 H new ATOM 0 HE2 LYS A 13 -15.329 -2.484 2.915 1.00 2.40 H new ATOM 0 HE3 LYS A 13 -15.939 -4.125 2.985 1.00 2.40 H new ATOM 0 HZ1 LYS A 13 -16.064 -3.050 5.138 1.00 31.20 H new ATOM 0 HZ2 LYS A 13 -14.982 -4.357 5.205 1.00 31.20 H new ATOM 0 HZ3 LYS A 13 -14.390 -2.766 5.136 1.00 31.20 H new ATOM 73 N ALA A 14 -9.361 -4.056 -0.311 1.00 50.10 N ATOM 74 CA ALA A 14 -7.993 -3.937 -0.800 1.00 61.10 C ATOM 75 C ALA A 14 -7.944 -3.142 -2.100 1.00 15.10 C ATOM 76 O ALA A 14 -7.081 -2.282 -2.282 1.00 73.00 O ATOM 77 CB ALA A 14 -7.381 -5.315 -0.999 1.00 51.40 C ATOM 0 H ALA A 14 -9.695 -5.016 -0.224 1.00 50.10 H new ATOM 0 HA ALA A 14 -7.411 -3.399 -0.052 1.00 61.10 H new ATOM 0 HB1 ALA A 14 -6.359 -5.210 -1.364 1.00 51.40 H new ATOM 0 HB2 ALA A 14 -7.374 -5.850 -0.050 1.00 51.40 H new ATOM 0 HB3 ALA A 14 -7.971 -5.874 -1.726 1.00 51.40 H new ATOM 83 N ILE A 15 -8.874 -3.435 -3.003 1.00 33.40 N ATOM 84 CA ILE A 15 -8.937 -2.748 -4.287 1.00 13.10 C ATOM 85 C ILE A 15 -9.497 -1.339 -4.129 1.00 14.50 C ATOM 86 O ILE A 15 -8.945 -0.377 -4.663 1.00 41.10 O ATOM 87 CB ILE A 15 -9.799 -3.520 -5.296 1.00 11.30 C ATOM 88 CG1 ILE A 15 -9.391 -4.993 -5.328 1.00 12.50 C ATOM 89 CG2 ILE A 15 -9.680 -2.901 -6.680 1.00 33.30 C ATOM 90 CD1 ILE A 15 -7.939 -5.210 -5.701 1.00 42.40 C ATOM 0 H ILE A 15 -9.595 -4.144 -2.869 1.00 33.40 H new ATOM 0 HA ILE A 15 -7.916 -2.691 -4.664 1.00 13.10 H new ATOM 0 HB ILE A 15 -10.841 -3.458 -4.981 1.00 11.30 H new ATOM 0 HG12 ILE A 15 -9.576 -5.434 -4.349 1.00 12.50 H new ATOM 0 HG13 ILE A 15 -10.024 -5.522 -6.041 1.00 12.50 H new ATOM 0 HG21 ILE A 15 -10.297 -3.460 -7.383 1.00 33.30 H new ATOM 0 HG22 ILE A 15 -10.017 -1.865 -6.645 1.00 33.30 H new ATOM 0 HG23 ILE A 15 -8.640 -2.933 -7.005 1.00 33.30 H new ATOM 0 HD11 ILE A 15 -7.720 -6.278 -5.704 1.00 42.40 H new ATOM 0 HD12 ILE A 15 -7.753 -4.799 -6.693 1.00 42.40 H new ATOM 0 HD13 ILE A 15 -7.298 -4.710 -4.975 1.00 42.40 H new ATOM 102 N ASP A 16 -10.598 -1.225 -3.393 1.00 54.30 N ATOM 103 CA ASP A 16 -11.235 0.068 -3.165 1.00 40.40 C ATOM 104 C ASP A 16 -10.292 1.016 -2.430 1.00 25.20 C ATOM 105 O ASP A 16 -10.152 2.180 -2.804 1.00 40.00 O ATOM 106 CB ASP A 16 -12.521 -0.108 -2.361 1.00 5.22 C ATOM 107 CG ASP A 16 -13.611 -0.789 -3.164 1.00 40.20 C ATOM 108 OD1 ASP A 16 -13.276 -1.591 -4.061 1.00 71.40 O ATOM 109 OD2 ASP A 16 -14.804 -0.521 -2.899 1.00 10.00 O ATOM 0 H ASP A 16 -11.068 -2.012 -2.944 1.00 54.30 H new ATOM 0 HA ASP A 16 -11.477 0.501 -4.136 1.00 40.40 H new ATOM 0 HB2 ASP A 16 -12.311 -0.695 -1.467 1.00 5.22 H new ATOM 0 HB3 ASP A 16 -12.874 0.867 -2.026 1.00 5.22 H new ATOM 114 N LEU A 17 -9.648 0.509 -1.384 1.00 75.30 N ATOM 115 CA LEU A 17 -8.719 1.312 -0.596 1.00 12.40 C ATOM 116 C LEU A 17 -7.568 1.816 -1.461 1.00 43.30 C ATOM 117 O LEU A 17 -7.249 3.004 -1.456 1.00 33.50 O ATOM 118 CB LEU A 17 -8.173 0.494 0.575 1.00 21.40 C ATOM 119 CG LEU A 17 -9.137 0.319 1.750 1.00 4.11 C ATOM 120 CD1 LEU A 17 -8.479 -0.472 2.869 1.00 22.10 C ATOM 121 CD2 LEU A 17 -9.607 1.674 2.257 1.00 10.20 C ATOM 0 H LEU A 17 -9.752 -0.453 -1.062 1.00 75.30 H new ATOM 0 HA LEU A 17 -9.261 2.174 -0.206 1.00 12.40 H new ATOM 0 HB2 LEU A 17 -7.889 -0.492 0.208 1.00 21.40 H new ATOM 0 HB3 LEU A 17 -7.264 0.972 0.939 1.00 21.40 H new ATOM 0 HG LEU A 17 -10.006 -0.240 1.403 1.00 4.11 H new ATOM 0 HD11 LEU A 17 -9.181 -0.586 3.695 1.00 22.10 H new ATOM 0 HD12 LEU A 17 -8.192 -1.456 2.499 1.00 22.10 H new ATOM 0 HD13 LEU A 17 -7.592 0.058 3.216 1.00 22.10 H new ATOM 0 HD21 LEU A 17 -10.292 1.532 3.093 1.00 10.20 H new ATOM 0 HD22 LEU A 17 -8.747 2.257 2.587 1.00 10.20 H new ATOM 0 HD23 LEU A 17 -10.119 2.205 1.455 1.00 10.20 H new ATOM 133 N ALA A 18 -6.948 0.903 -2.202 1.00 51.10 N ATOM 134 CA ALA A 18 -5.832 1.255 -3.071 1.00 73.30 C ATOM 135 C ALA A 18 -6.259 2.261 -4.133 1.00 74.30 C ATOM 136 O ALA A 18 -5.476 3.119 -4.541 1.00 22.20 O ATOM 137 CB ALA A 18 -5.259 0.006 -3.725 1.00 74.20 C ATOM 0 H ALA A 18 -7.200 -0.085 -2.218 1.00 51.10 H new ATOM 0 HA ALA A 18 -5.059 1.719 -2.458 1.00 73.30 H new ATOM 0 HB1 ALA A 18 -4.426 0.283 -4.371 1.00 74.20 H new ATOM 0 HB2 ALA A 18 -4.907 -0.680 -2.954 1.00 74.20 H new ATOM 0 HB3 ALA A 18 -6.032 -0.481 -4.319 1.00 74.20 H new ATOM 143 N SER A 19 -7.507 2.153 -4.577 1.00 4.14 N ATOM 144 CA SER A 19 -8.039 3.055 -5.592 1.00 43.00 C ATOM 145 C SER A 19 -8.323 4.431 -5.001 1.00 44.40 C ATOM 146 O SER A 19 -8.062 5.455 -5.632 1.00 72.10 O ATOM 147 CB SER A 19 -9.317 2.474 -6.201 1.00 62.00 C ATOM 148 OG SER A 19 -10.015 3.453 -6.951 1.00 24.00 O ATOM 0 H SER A 19 -8.169 1.449 -4.250 1.00 4.14 H new ATOM 0 HA SER A 19 -7.289 3.164 -6.375 1.00 43.00 H new ATOM 0 HB2 SER A 19 -9.066 1.630 -6.843 1.00 62.00 H new ATOM 0 HB3 SER A 19 -9.960 2.092 -5.408 1.00 62.00 H new ATOM 0 HG SER A 19 -10.827 3.057 -7.331 1.00 24.00 H new ATOM 154 N LYS A 20 -8.860 4.449 -3.785 1.00 30.50 N ATOM 155 CA LYS A 20 -9.181 5.700 -3.109 1.00 53.10 C ATOM 156 C LYS A 20 -7.911 6.423 -2.671 1.00 11.10 C ATOM 157 O LYS A 20 -7.837 7.651 -2.713 1.00 74.50 O ATOM 158 CB LYS A 20 -10.075 5.434 -1.896 1.00 22.20 C ATOM 159 CG LYS A 20 -10.655 6.696 -1.279 1.00 51.30 C ATOM 160 CD LYS A 20 -11.974 6.417 -0.579 1.00 72.10 C ATOM 161 CE LYS A 20 -12.151 7.299 0.648 1.00 1.42 C ATOM 162 NZ LYS A 20 -13.358 6.923 1.433 1.00 11.20 N ATOM 0 H LYS A 20 -9.082 3.611 -3.248 1.00 30.50 H new ATOM 0 HA LYS A 20 -9.716 6.338 -3.813 1.00 53.10 H new ATOM 0 HB2 LYS A 20 -10.892 4.777 -2.194 1.00 22.20 H new ATOM 0 HB3 LYS A 20 -9.498 4.902 -1.140 1.00 22.20 H new ATOM 0 HG2 LYS A 20 -9.944 7.113 -0.566 1.00 51.30 H new ATOM 0 HG3 LYS A 20 -10.805 7.446 -2.055 1.00 51.30 H new ATOM 0 HD2 LYS A 20 -12.798 6.586 -1.272 1.00 72.10 H new ATOM 0 HD3 LYS A 20 -12.016 5.369 -0.284 1.00 72.10 H new ATOM 0 HE2 LYS A 20 -11.267 7.221 1.281 1.00 1.42 H new ATOM 0 HE3 LYS A 20 -12.230 8.341 0.338 1.00 1.42 H new ATOM 0 HZ1 LYS A 20 -13.443 7.548 2.260 1.00 11.20 H new ATOM 0 HZ2 LYS A 20 -14.204 7.022 0.837 1.00 11.20 H new ATOM 0 HZ3 LYS A 20 -13.272 5.937 1.751 1.00 11.20 H new ATOM 176 N ALA A 21 -6.914 5.652 -2.249 1.00 32.40 N ATOM 177 CA ALA A 21 -5.646 6.218 -1.803 1.00 52.30 C ATOM 178 C ALA A 21 -4.983 7.022 -2.916 1.00 74.50 C ATOM 179 O ALA A 21 -4.641 8.191 -2.733 1.00 15.20 O ATOM 180 CB ALA A 21 -4.717 5.116 -1.319 1.00 73.00 C ATOM 0 H ALA A 21 -6.960 4.634 -2.207 1.00 32.40 H new ATOM 0 HA ALA A 21 -5.850 6.895 -0.973 1.00 52.30 H new ATOM 0 HB1 ALA A 21 -3.775 5.553 -0.989 1.00 73.00 H new ATOM 0 HB2 ALA A 21 -5.182 4.587 -0.487 1.00 73.00 H new ATOM 0 HB3 ALA A 21 -4.527 4.416 -2.133 1.00 73.00 H new ATOM 186 N ALA A 22 -4.802 6.389 -4.070 1.00 71.10 N ATOM 187 CA ALA A 22 -4.178 7.045 -5.212 1.00 73.40 C ATOM 188 C ALA A 22 -5.001 8.243 -5.674 1.00 33.30 C ATOM 189 O ALA A 22 -4.456 9.225 -6.178 1.00 10.40 O ATOM 190 CB ALA A 22 -3.998 6.056 -6.354 1.00 23.40 C ATOM 0 H ALA A 22 -5.079 5.422 -4.239 1.00 71.10 H new ATOM 0 HA ALA A 22 -3.198 7.408 -4.901 1.00 73.40 H new ATOM 0 HB1 ALA A 22 -3.531 6.559 -7.201 1.00 23.40 H new ATOM 0 HB2 ALA A 22 -3.363 5.233 -6.026 1.00 23.40 H new ATOM 0 HB3 ALA A 22 -4.971 5.667 -6.655 1.00 23.40 H new ATOM 196 N GLN A 23 -6.315 8.156 -5.495 1.00 30.00 N ATOM 197 CA GLN A 23 -7.213 9.233 -5.894 1.00 45.20 C ATOM 198 C GLN A 23 -6.942 10.495 -5.080 1.00 12.30 C ATOM 199 O GLN A 23 -7.112 11.611 -5.572 1.00 63.40 O ATOM 200 CB GLN A 23 -8.671 8.803 -5.717 1.00 1.14 C ATOM 201 CG GLN A 23 -9.664 9.727 -6.400 1.00 35.30 C ATOM 202 CD GLN A 23 -10.906 9.969 -5.563 1.00 15.30 C ATOM 203 OE1 GLN A 23 -11.921 9.292 -5.726 1.00 11.00 O ATOM 204 NE2 GLN A 23 -10.831 10.939 -4.659 1.00 10.20 N ATOM 0 H GLN A 23 -6.781 7.351 -5.076 1.00 30.00 H new ATOM 0 HA GLN A 23 -7.032 9.453 -6.946 1.00 45.20 H new ATOM 0 HB2 GLN A 23 -8.794 7.795 -6.112 1.00 1.14 H new ATOM 0 HB3 GLN A 23 -8.901 8.759 -4.653 1.00 1.14 H new ATOM 0 HG2 GLN A 23 -9.181 10.681 -6.611 1.00 35.30 H new ATOM 0 HG3 GLN A 23 -9.954 9.297 -7.359 1.00 35.30 H new ATOM 0 HE21 GLN A 23 -9.970 11.476 -4.557 1.00 10.20 H new ATOM 0 HE22 GLN A 23 -11.635 11.147 -4.066 1.00 10.20 H new ATOM 213 N GLU A 24 -6.520 10.310 -3.834 1.00 33.20 N ATOM 214 CA GLU A 24 -6.226 11.435 -2.952 1.00 13.30 C ATOM 215 C GLU A 24 -4.878 12.059 -3.298 1.00 2.32 C ATOM 216 O GLU A 24 -4.692 13.269 -3.168 1.00 52.20 O ATOM 217 CB GLU A 24 -6.231 10.979 -1.492 1.00 42.20 C ATOM 218 CG GLU A 24 -7.615 10.961 -0.865 1.00 20.00 C ATOM 219 CD GLU A 24 -8.611 10.154 -1.674 1.00 13.40 C ATOM 220 OE1 GLU A 24 -8.899 10.547 -2.823 1.00 74.00 O ATOM 221 OE2 GLU A 24 -9.104 9.129 -1.157 1.00 44.40 O ATOM 0 H GLU A 24 -6.374 9.393 -3.412 1.00 33.20 H new ATOM 0 HA GLU A 24 -7.001 12.188 -3.093 1.00 13.30 H new ATOM 0 HB2 GLU A 24 -5.801 9.979 -1.431 1.00 42.20 H new ATOM 0 HB3 GLU A 24 -5.587 11.640 -0.912 1.00 42.20 H new ATOM 0 HG2 GLU A 24 -7.549 10.546 0.141 1.00 20.00 H new ATOM 0 HG3 GLU A 24 -7.978 11.984 -0.765 1.00 20.00 H new ATOM 228 N ASP A 25 -3.942 11.226 -3.740 1.00 52.40 N ATOM 229 CA ASP A 25 -2.610 11.697 -4.105 1.00 71.40 C ATOM 230 C ASP A 25 -2.688 12.733 -5.222 1.00 13.30 C ATOM 231 O ASP A 25 -2.059 13.788 -5.149 1.00 74.10 O ATOM 232 CB ASP A 25 -1.733 10.523 -4.543 1.00 63.10 C ATOM 233 CG ASP A 25 -0.308 10.945 -4.842 1.00 4.32 C ATOM 234 OD1 ASP A 25 -0.068 11.492 -5.939 1.00 63.20 O ATOM 235 OD2 ASP A 25 0.568 10.728 -3.979 1.00 4.32 O ATOM 0 H ASP A 25 -4.080 10.222 -3.854 1.00 52.40 H new ATOM 0 HA ASP A 25 -2.164 12.166 -3.228 1.00 71.40 H new ATOM 0 HB2 ASP A 25 -1.728 9.765 -3.760 1.00 63.10 H new ATOM 0 HB3 ASP A 25 -2.166 10.061 -5.430 1.00 63.10 H new ATOM 240 N LYS A 26 -3.466 12.424 -6.255 1.00 62.40 N ATOM 241 CA LYS A 26 -3.627 13.329 -7.387 1.00 22.30 C ATOM 242 C LYS A 26 -4.646 14.419 -7.069 1.00 75.50 C ATOM 243 O LYS A 26 -4.545 15.541 -7.567 1.00 42.10 O ATOM 244 CB LYS A 26 -4.067 12.551 -8.629 1.00 33.10 C ATOM 245 CG LYS A 26 -3.886 13.322 -9.920 1.00 72.30 C ATOM 246 CD LYS A 26 -4.767 12.769 -11.030 1.00 24.20 C ATOM 247 CE LYS A 26 -4.245 11.439 -11.547 1.00 74.20 C ATOM 248 NZ LYS A 26 -4.429 11.303 -13.017 1.00 21.20 N ATOM 0 H LYS A 26 -3.994 11.555 -6.331 1.00 62.40 H new ATOM 0 HA LYS A 26 -2.665 13.801 -7.584 1.00 22.30 H new ATOM 0 HB2 LYS A 26 -3.499 11.623 -8.687 1.00 33.10 H new ATOM 0 HB3 LYS A 26 -5.116 12.276 -8.523 1.00 33.10 H new ATOM 0 HG2 LYS A 26 -4.125 14.372 -9.754 1.00 72.30 H new ATOM 0 HG3 LYS A 26 -2.841 13.278 -10.228 1.00 72.30 H new ATOM 0 HD2 LYS A 26 -5.784 12.642 -10.659 1.00 24.20 H new ATOM 0 HD3 LYS A 26 -4.814 13.486 -11.850 1.00 24.20 H new ATOM 0 HE2 LYS A 26 -3.187 11.345 -11.304 1.00 74.20 H new ATOM 0 HE3 LYS A 26 -4.762 10.624 -11.040 1.00 74.20 H new ATOM 0 HZ1 LYS A 26 -4.060 10.382 -13.329 1.00 21.20 H new ATOM 0 HZ2 LYS A 26 -5.441 11.367 -13.248 1.00 21.20 H new ATOM 0 HZ3 LYS A 26 -3.915 12.065 -13.503 1.00 21.20 H new ATOM 262 N ALA A 27 -5.626 14.082 -6.238 1.00 35.30 N ATOM 263 CA ALA A 27 -6.662 15.033 -5.852 1.00 23.40 C ATOM 264 C ALA A 27 -6.060 16.251 -5.161 1.00 5.13 C ATOM 265 O ALA A 27 -6.174 17.374 -5.650 1.00 73.50 O ATOM 266 CB ALA A 27 -7.685 14.360 -4.948 1.00 73.30 C ATOM 0 H ALA A 27 -5.725 13.157 -5.819 1.00 35.30 H new ATOM 0 HA ALA A 27 -7.163 15.375 -6.758 1.00 23.40 H new ATOM 0 HB1 ALA A 27 -8.453 15.081 -4.667 1.00 73.30 H new ATOM 0 HB2 ALA A 27 -8.146 13.527 -5.478 1.00 73.30 H new ATOM 0 HB3 ALA A 27 -7.190 13.990 -4.051 1.00 73.30 H new ATOM 272 N GLY A 28 -5.420 16.020 -4.019 1.00 44.00 N ATOM 273 CA GLY A 28 -4.810 17.109 -3.280 1.00 42.30 C ATOM 274 C GLY A 28 -4.524 16.744 -1.836 1.00 63.00 C ATOM 275 O GLY A 28 -3.601 17.282 -1.223 1.00 5.44 O ATOM 0 H GLY A 28 -5.313 15.099 -3.593 1.00 44.00 H new ATOM 0 HA2 GLY A 28 -3.880 17.399 -3.769 1.00 42.30 H new ATOM 0 HA3 GLY A 28 -5.469 17.977 -3.308 1.00 42.30 H new ATOM 279 N ASN A 29 -5.318 15.828 -1.290 1.00 42.30 N ATOM 280 CA ASN A 29 -5.146 15.394 0.092 1.00 21.30 C ATOM 281 C ASN A 29 -4.003 14.391 0.208 1.00 52.00 C ATOM 282 O ASN A 29 -4.208 13.183 0.092 1.00 11.00 O ATOM 283 CB ASN A 29 -6.441 14.772 0.617 1.00 20.20 C ATOM 284 CG ASN A 29 -7.622 15.717 0.509 1.00 54.50 C ATOM 285 OD1 ASN A 29 -7.795 16.611 1.339 1.00 51.00 O ATOM 286 ND2 ASN A 29 -8.442 15.525 -0.517 1.00 52.30 N ATOM 0 H ASN A 29 -6.086 15.372 -1.783 1.00 42.30 H new ATOM 0 HA ASN A 29 -4.901 16.269 0.694 1.00 21.30 H new ATOM 0 HB2 ASN A 29 -6.656 13.861 0.058 1.00 20.20 H new ATOM 0 HB3 ASN A 29 -6.305 14.482 1.659 1.00 20.20 H new ATOM 0 HD21 ASN A 29 -9.253 16.130 -0.642 1.00 52.30 H new ATOM 0 HD22 ASN A 29 -8.261 14.772 -1.181 1.00 52.30 H new ATOM 293 N TYR A 30 -2.797 14.901 0.439 1.00 15.20 N ATOM 294 CA TYR A 30 -1.620 14.050 0.573 1.00 5.35 C ATOM 295 C TYR A 30 -1.704 13.202 1.837 1.00 53.00 C ATOM 296 O TYR A 30 -1.570 11.980 1.787 1.00 53.30 O ATOM 297 CB TYR A 30 -0.349 14.900 0.598 1.00 53.20 C ATOM 298 CG TYR A 30 -0.176 15.766 -0.629 1.00 52.30 C ATOM 299 CD1 TYR A 30 -0.457 15.272 -1.897 1.00 52.00 C ATOM 300 CD2 TYR A 30 0.268 17.078 -0.520 1.00 12.00 C ATOM 301 CE1 TYR A 30 -0.300 16.060 -3.021 1.00 32.20 C ATOM 302 CE2 TYR A 30 0.427 17.873 -1.639 1.00 41.40 C ATOM 303 CZ TYR A 30 0.142 17.360 -2.887 1.00 45.40 C ATOM 304 OH TYR A 30 0.299 18.147 -4.004 1.00 2.01 O ATOM 0 H TYR A 30 -2.609 15.899 0.537 1.00 15.20 H new ATOM 0 HA TYR A 30 -1.585 13.383 -0.289 1.00 5.35 H new ATOM 0 HB2 TYR A 30 -0.365 15.537 1.483 1.00 53.20 H new ATOM 0 HB3 TYR A 30 0.516 14.243 0.694 1.00 53.20 H new ATOM 0 HD1 TYR A 30 -0.804 14.255 -2.006 1.00 52.00 H new ATOM 0 HD2 TYR A 30 0.493 17.483 0.456 1.00 12.00 H new ATOM 0 HE1 TYR A 30 -0.522 15.660 -3.999 1.00 32.20 H new ATOM 0 HE2 TYR A 30 0.773 18.891 -1.537 1.00 41.40 H new ATOM 0 HH TYR A 30 0.616 19.035 -3.737 1.00 2.01 H new ATOM 314 N GLU A 31 -1.927 13.860 2.970 1.00 11.50 N ATOM 315 CA GLU A 31 -2.031 13.167 4.250 1.00 43.00 C ATOM 316 C GLU A 31 -3.139 12.118 4.209 1.00 21.10 C ATOM 317 O GLU A 31 -3.049 11.079 4.864 1.00 41.30 O ATOM 318 CB GLU A 31 -2.298 14.167 5.375 1.00 50.30 C ATOM 319 CG GLU A 31 -1.598 13.818 6.679 1.00 3.34 C ATOM 320 CD GLU A 31 -2.502 13.077 7.644 1.00 20.20 C ATOM 321 OE1 GLU A 31 -3.459 12.423 7.179 1.00 70.30 O ATOM 322 OE2 GLU A 31 -2.252 13.150 8.866 1.00 52.10 O ATOM 0 H GLU A 31 -2.039 14.872 3.028 1.00 11.50 H new ATOM 0 HA GLU A 31 -1.084 12.663 4.442 1.00 43.00 H new ATOM 0 HB2 GLU A 31 -1.976 15.157 5.053 1.00 50.30 H new ATOM 0 HB3 GLU A 31 -3.372 14.223 5.553 1.00 50.30 H new ATOM 0 HG2 GLU A 31 -0.722 13.206 6.465 1.00 3.34 H new ATOM 0 HG3 GLU A 31 -1.240 14.733 7.151 1.00 3.34 H new ATOM 329 N GLU A 32 -4.180 12.399 3.433 1.00 3.22 N ATOM 330 CA GLU A 32 -5.305 11.481 3.302 1.00 45.40 C ATOM 331 C GLU A 32 -4.909 10.252 2.492 1.00 74.20 C ATOM 332 O GLU A 32 -5.319 9.133 2.799 1.00 2.41 O ATOM 333 CB GLU A 32 -6.489 12.186 2.637 1.00 21.50 C ATOM 334 CG GLU A 32 -7.718 11.304 2.486 1.00 13.50 C ATOM 335 CD GLU A 32 -8.566 11.266 3.742 1.00 62.30 C ATOM 336 OE1 GLU A 32 -8.743 12.332 4.369 1.00 40.40 O ATOM 337 OE2 GLU A 32 -9.052 10.173 4.098 1.00 14.20 O ATOM 0 H GLU A 32 -4.268 13.255 2.885 1.00 3.22 H new ATOM 0 HA GLU A 32 -5.599 11.157 4.301 1.00 45.40 H new ATOM 0 HB2 GLU A 32 -6.754 13.065 3.224 1.00 21.50 H new ATOM 0 HB3 GLU A 32 -6.183 12.540 1.652 1.00 21.50 H new ATOM 0 HG2 GLU A 32 -8.322 11.668 1.655 1.00 13.50 H new ATOM 0 HG3 GLU A 32 -7.405 10.291 2.233 1.00 13.50 H new ATOM 344 N ALA A 33 -4.106 10.470 1.455 1.00 60.40 N ATOM 345 CA ALA A 33 -3.650 9.381 0.599 1.00 45.40 C ATOM 346 C ALA A 33 -2.628 8.510 1.319 1.00 42.50 C ATOM 347 O ALA A 33 -2.576 7.297 1.116 1.00 51.40 O ATOM 348 CB ALA A 33 -3.061 9.935 -0.690 1.00 21.40 C ATOM 0 H ALA A 33 -3.758 11.391 1.188 1.00 60.40 H new ATOM 0 HA ALA A 33 -4.510 8.758 0.354 1.00 45.40 H new ATOM 0 HB1 ALA A 33 -2.725 9.111 -1.320 1.00 21.40 H new ATOM 0 HB2 ALA A 33 -3.821 10.510 -1.220 1.00 21.40 H new ATOM 0 HB3 ALA A 33 -2.215 10.581 -0.455 1.00 21.40 H new ATOM 354 N LEU A 34 -1.815 9.138 2.164 1.00 1.14 N ATOM 355 CA LEU A 34 -0.792 8.421 2.917 1.00 21.40 C ATOM 356 C LEU A 34 -1.421 7.357 3.811 1.00 44.40 C ATOM 357 O LEU A 34 -1.065 6.181 3.738 1.00 72.50 O ATOM 358 CB LEU A 34 0.025 9.398 3.765 1.00 23.40 C ATOM 359 CG LEU A 34 1.508 9.052 3.902 1.00 61.20 C ATOM 360 CD1 LEU A 34 1.679 7.633 4.422 1.00 10.30 C ATOM 361 CD2 LEU A 34 2.220 9.223 2.568 1.00 4.35 C ATOM 0 H LEU A 34 -1.845 10.142 2.344 1.00 1.14 H new ATOM 0 HA LEU A 34 -0.131 7.927 2.205 1.00 21.40 H new ATOM 0 HB2 LEU A 34 -0.062 10.394 3.330 1.00 23.40 H new ATOM 0 HB3 LEU A 34 -0.415 9.446 4.761 1.00 23.40 H new ATOM 0 HG LEU A 34 1.957 9.737 4.621 1.00 61.20 H new ATOM 0 HD11 LEU A 34 2.741 7.404 4.513 1.00 10.30 H new ATOM 0 HD12 LEU A 34 1.203 7.544 5.399 1.00 10.30 H new ATOM 0 HD13 LEU A 34 1.215 6.933 3.727 1.00 10.30 H new ATOM 0 HD21 LEU A 34 3.275 8.973 2.684 1.00 4.35 H new ATOM 0 HD22 LEU A 34 1.769 8.562 1.828 1.00 4.35 H new ATOM 0 HD23 LEU A 34 2.127 10.257 2.236 1.00 4.35 H new ATOM 373 N GLN A 35 -2.359 7.778 4.653 1.00 33.50 N ATOM 374 CA GLN A 35 -3.038 6.860 5.561 1.00 1.30 C ATOM 375 C GLN A 35 -3.775 5.774 4.785 1.00 51.50 C ATOM 376 O GLN A 35 -3.738 4.600 5.153 1.00 33.40 O ATOM 377 CB GLN A 35 -4.020 7.624 6.451 1.00 0.50 C ATOM 378 CG GLN A 35 -3.361 8.698 7.302 1.00 4.10 C ATOM 379 CD GLN A 35 -2.273 8.143 8.200 1.00 11.20 C ATOM 380 OE1 GLN A 35 -1.095 8.150 7.843 1.00 32.10 O ATOM 381 NE2 GLN A 35 -2.663 7.660 9.374 1.00 70.30 N ATOM 0 H GLN A 35 -2.666 8.748 4.726 1.00 33.50 H new ATOM 0 HA GLN A 35 -2.284 6.384 6.189 1.00 1.30 H new ATOM 0 HB2 GLN A 35 -4.782 8.086 5.824 1.00 0.50 H new ATOM 0 HB3 GLN A 35 -4.531 6.917 7.105 1.00 0.50 H new ATOM 0 HG2 GLN A 35 -2.936 9.462 6.651 1.00 4.10 H new ATOM 0 HG3 GLN A 35 -4.119 9.187 7.915 1.00 4.10 H new ATOM 0 HE21 GLN A 35 -3.651 7.674 9.629 1.00 70.30 H new ATOM 0 HE22 GLN A 35 -1.975 7.275 10.021 1.00 70.30 H new ATOM 390 N LEU A 36 -4.445 6.174 3.709 1.00 40.20 N ATOM 391 CA LEU A 36 -5.192 5.235 2.881 1.00 63.40 C ATOM 392 C LEU A 36 -4.247 4.305 2.126 1.00 33.10 C ATOM 393 O LEU A 36 -4.579 3.152 1.856 1.00 34.20 O ATOM 394 CB LEU A 36 -6.081 5.991 1.890 1.00 33.40 C ATOM 395 CG LEU A 36 -7.133 6.899 2.529 1.00 73.50 C ATOM 396 CD1 LEU A 36 -7.640 7.919 1.521 1.00 24.20 C ATOM 397 CD2 LEU A 36 -8.286 6.072 3.079 1.00 33.10 C ATOM 0 H LEU A 36 -4.486 7.142 3.390 1.00 40.20 H new ATOM 0 HA LEU A 36 -5.821 4.632 3.536 1.00 63.40 H new ATOM 0 HB2 LEU A 36 -5.446 6.596 1.243 1.00 33.40 H new ATOM 0 HB3 LEU A 36 -6.587 5.266 1.253 1.00 33.40 H new ATOM 0 HG LEU A 36 -6.669 7.436 3.356 1.00 73.50 H new ATOM 0 HD11 LEU A 36 -8.388 8.556 1.993 1.00 24.20 H new ATOM 0 HD12 LEU A 36 -6.808 8.532 1.173 1.00 24.20 H new ATOM 0 HD13 LEU A 36 -8.088 7.401 0.673 1.00 24.20 H new ATOM 0 HD21 LEU A 36 -9.026 6.734 3.530 1.00 33.10 H new ATOM 0 HD22 LEU A 36 -8.749 5.509 2.269 1.00 33.10 H new ATOM 0 HD23 LEU A 36 -7.910 5.380 3.833 1.00 33.10 H new ATOM 409 N TYR A 37 -3.067 4.815 1.788 1.00 71.10 N ATOM 410 CA TYR A 37 -2.074 4.030 1.065 1.00 25.20 C ATOM 411 C TYR A 37 -1.673 2.793 1.862 1.00 60.20 C ATOM 412 O TYR A 37 -1.753 1.670 1.365 1.00 71.40 O ATOM 413 CB TYR A 37 -0.838 4.882 0.767 1.00 53.10 C ATOM 414 CG TYR A 37 -0.897 5.592 -0.566 1.00 45.00 C ATOM 415 CD1 TYR A 37 -1.320 4.928 -1.711 1.00 12.40 C ATOM 416 CD2 TYR A 37 -0.533 6.928 -0.681 1.00 1.20 C ATOM 417 CE1 TYR A 37 -1.376 5.574 -2.931 1.00 1.43 C ATOM 418 CE2 TYR A 37 -0.587 7.582 -1.897 1.00 21.50 C ATOM 419 CZ TYR A 37 -1.009 6.900 -3.019 1.00 31.10 C ATOM 420 OH TYR A 37 -1.064 7.546 -4.233 1.00 11.30 O ATOM 0 H TYR A 37 -2.776 5.768 2.003 1.00 71.10 H new ATOM 0 HA TYR A 37 -2.519 3.706 0.124 1.00 25.20 H new ATOM 0 HB2 TYR A 37 -0.718 5.622 1.558 1.00 53.10 H new ATOM 0 HB3 TYR A 37 0.046 4.245 0.791 1.00 53.10 H new ATOM 0 HD1 TYR A 37 -1.610 3.890 -1.646 1.00 12.40 H new ATOM 0 HD2 TYR A 37 -0.202 7.465 0.196 1.00 1.20 H new ATOM 0 HE1 TYR A 37 -1.706 5.043 -3.812 1.00 1.43 H new ATOM 0 HE2 TYR A 37 -0.301 8.621 -1.968 1.00 21.50 H new ATOM 0 HH TYR A 37 -1.177 6.887 -4.949 1.00 11.30 H new ATOM 430 N GLN A 38 -1.242 3.007 3.100 1.00 34.20 N ATOM 431 CA GLN A 38 -0.830 1.909 3.966 1.00 13.10 C ATOM 432 C GLN A 38 -1.980 0.933 4.194 1.00 12.00 C ATOM 433 O GLN A 38 -1.773 -0.277 4.284 1.00 65.10 O ATOM 434 CB GLN A 38 -0.331 2.448 5.308 1.00 33.20 C ATOM 435 CG GLN A 38 0.839 3.410 5.180 1.00 33.40 C ATOM 436 CD GLN A 38 1.174 4.097 6.488 1.00 71.00 C ATOM 437 OE1 GLN A 38 1.668 3.469 7.426 1.00 72.00 O ATOM 438 NE2 GLN A 38 0.907 5.396 6.560 1.00 31.00 N ATOM 0 H GLN A 38 -1.169 3.931 3.526 1.00 34.20 H new ATOM 0 HA GLN A 38 -0.018 1.376 3.471 1.00 13.10 H new ATOM 0 HB2 GLN A 38 -1.153 2.954 5.815 1.00 33.20 H new ATOM 0 HB3 GLN A 38 -0.034 1.610 5.939 1.00 33.20 H new ATOM 0 HG2 GLN A 38 1.714 2.866 4.825 1.00 33.40 H new ATOM 0 HG3 GLN A 38 0.605 4.163 4.428 1.00 33.40 H new ATOM 0 HE21 GLN A 38 0.498 5.878 5.759 1.00 31.00 H new ATOM 0 HE22 GLN A 38 1.111 5.912 7.416 1.00 31.00 H new ATOM 447 N HIS A 39 -3.193 1.468 4.285 1.00 70.10 N ATOM 448 CA HIS A 39 -4.378 0.645 4.501 1.00 4.01 C ATOM 449 C HIS A 39 -4.650 -0.245 3.293 1.00 54.10 C ATOM 450 O HIS A 39 -5.113 -1.376 3.435 1.00 33.00 O ATOM 451 CB HIS A 39 -5.594 1.529 4.783 1.00 61.10 C ATOM 452 CG HIS A 39 -5.701 1.963 6.212 1.00 43.30 C ATOM 453 ND1 HIS A 39 -6.812 1.717 6.992 1.00 42.10 N ATOM 454 CD2 HIS A 39 -4.828 2.629 7.004 1.00 74.30 C ATOM 455 CE1 HIS A 39 -6.618 2.214 8.200 1.00 42.40 C ATOM 456 NE2 HIS A 39 -5.422 2.772 8.233 1.00 73.40 N ATOM 0 H HIS A 39 -3.382 2.468 4.213 1.00 70.10 H new ATOM 0 HA HIS A 39 -4.194 0.007 5.365 1.00 4.01 H new ATOM 0 HB2 HIS A 39 -5.546 2.412 4.146 1.00 61.10 H new ATOM 0 HB3 HIS A 39 -6.499 0.987 4.508 1.00 61.10 H new ATOM 0 HD2 HIS A 39 -3.847 2.982 6.721 1.00 74.30 H new ATOM 0 HE1 HIS A 39 -7.318 2.171 9.021 1.00 42.40 H new ATOM 0 HE2 HIS A 39 -5.006 3.235 9.041 1.00 73.40 H new ATOM 465 N ALA A 40 -4.358 0.273 2.105 1.00 15.30 N ATOM 466 CA ALA A 40 -4.572 -0.475 0.872 1.00 53.10 C ATOM 467 C ALA A 40 -3.441 -1.468 0.630 1.00 50.50 C ATOM 468 O ALA A 40 -3.661 -2.559 0.105 1.00 20.40 O ATOM 469 CB ALA A 40 -4.701 0.477 -0.307 1.00 44.20 C ATOM 0 H ALA A 40 -3.973 1.208 1.970 1.00 15.30 H new ATOM 0 HA ALA A 40 -5.500 -1.038 0.974 1.00 53.10 H new ATOM 0 HB1 ALA A 40 -4.860 -0.095 -1.221 1.00 44.20 H new ATOM 0 HB2 ALA A 40 -5.547 1.145 -0.145 1.00 44.20 H new ATOM 0 HB3 ALA A 40 -3.788 1.065 -0.402 1.00 44.20 H new ATOM 475 N VAL A 41 -2.228 -1.082 1.016 1.00 52.50 N ATOM 476 CA VAL A 41 -1.062 -1.939 0.840 1.00 74.30 C ATOM 477 C VAL A 41 -1.081 -3.102 1.827 1.00 53.20 C ATOM 478 O VAL A 41 -0.703 -4.223 1.487 1.00 63.30 O ATOM 479 CB VAL A 41 0.249 -1.149 1.019 1.00 55.00 C ATOM 480 CG1 VAL A 41 1.449 -2.014 0.664 1.00 45.20 C ATOM 481 CG2 VAL A 41 0.230 0.120 0.178 1.00 54.40 C ATOM 0 H VAL A 41 -2.028 -0.182 1.452 1.00 52.50 H new ATOM 0 HA VAL A 41 -1.106 -2.328 -0.177 1.00 74.30 H new ATOM 0 HB VAL A 41 0.335 -0.861 2.067 1.00 55.00 H new ATOM 0 HG11 VAL A 41 2.365 -1.438 0.797 1.00 45.20 H new ATOM 0 HG12 VAL A 41 1.473 -2.888 1.315 1.00 45.20 H new ATOM 0 HG13 VAL A 41 1.371 -2.336 -0.374 1.00 45.20 H new ATOM 0 HG21 VAL A 41 1.164 0.664 0.318 1.00 54.40 H new ATOM 0 HG22 VAL A 41 0.117 -0.142 -0.874 1.00 54.40 H new ATOM 0 HG23 VAL A 41 -0.605 0.749 0.487 1.00 54.40 H new ATOM 491 N GLN A 42 -1.523 -2.827 3.050 1.00 70.40 N ATOM 492 CA GLN A 42 -1.589 -3.852 4.086 1.00 74.40 C ATOM 493 C GLN A 42 -2.649 -4.897 3.749 1.00 20.10 C ATOM 494 O GLN A 42 -2.411 -6.098 3.877 1.00 73.40 O ATOM 495 CB GLN A 42 -1.894 -3.216 5.443 1.00 24.00 C ATOM 496 CG GLN A 42 -3.263 -2.560 5.515 1.00 34.10 C ATOM 497 CD GLN A 42 -3.509 -1.871 6.844 1.00 15.20 C ATOM 498 OE1 GLN A 42 -4.440 -2.217 7.573 1.00 33.10 O ATOM 499 NE2 GLN A 42 -2.673 -0.890 7.165 1.00 34.30 N ATOM 0 H GLN A 42 -1.840 -1.905 3.348 1.00 70.40 H new ATOM 0 HA GLN A 42 -0.619 -4.347 4.136 1.00 74.40 H new ATOM 0 HB2 GLN A 42 -1.826 -3.981 6.217 1.00 24.00 H new ATOM 0 HB3 GLN A 42 -1.131 -2.470 5.665 1.00 24.00 H new ATOM 0 HG2 GLN A 42 -3.356 -1.832 4.709 1.00 34.10 H new ATOM 0 HG3 GLN A 42 -4.033 -3.315 5.353 1.00 34.10 H new ATOM 0 HE21 GLN A 42 -1.916 -0.637 6.530 1.00 34.30 H new ATOM 0 HE22 GLN A 42 -2.788 -0.390 8.046 1.00 34.30 H new ATOM 508 N TYR A 43 -3.817 -4.433 3.318 1.00 31.20 N ATOM 509 CA TYR A 43 -4.911 -5.330 2.962 1.00 23.10 C ATOM 510 C TYR A 43 -4.505 -6.253 1.820 1.00 33.10 C ATOM 511 O TYR A 43 -4.894 -7.420 1.783 1.00 33.20 O ATOM 512 CB TYR A 43 -6.152 -4.525 2.568 1.00 51.50 C ATOM 513 CG TYR A 43 -7.136 -4.335 3.700 1.00 35.50 C ATOM 514 CD1 TYR A 43 -6.840 -3.500 4.771 1.00 34.40 C ATOM 515 CD2 TYR A 43 -8.362 -4.990 3.698 1.00 4.20 C ATOM 516 CE1 TYR A 43 -7.737 -3.323 5.808 1.00 60.20 C ATOM 517 CE2 TYR A 43 -9.264 -4.818 4.731 1.00 3.34 C ATOM 518 CZ TYR A 43 -8.947 -3.984 5.783 1.00 42.20 C ATOM 519 OH TYR A 43 -9.843 -3.812 6.813 1.00 12.10 O ATOM 0 H TYR A 43 -4.031 -3.442 3.207 1.00 31.20 H new ATOM 0 HA TYR A 43 -5.146 -5.941 3.834 1.00 23.10 H new ATOM 0 HB2 TYR A 43 -5.839 -3.547 2.202 1.00 51.50 H new ATOM 0 HB3 TYR A 43 -6.654 -5.029 1.742 1.00 51.50 H new ATOM 0 HD1 TYR A 43 -5.893 -2.981 4.793 1.00 34.40 H new ATOM 0 HD2 TYR A 43 -8.614 -5.644 2.876 1.00 4.20 H new ATOM 0 HE1 TYR A 43 -7.491 -2.671 6.633 1.00 60.20 H new ATOM 0 HE2 TYR A 43 -10.213 -5.334 4.715 1.00 3.34 H new ATOM 0 HH TYR A 43 -10.646 -4.347 6.641 1.00 12.10 H new ATOM 529 N PHE A 44 -3.720 -5.721 0.891 1.00 0.33 N ATOM 530 CA PHE A 44 -3.258 -6.494 -0.254 1.00 33.30 C ATOM 531 C PHE A 44 -2.455 -7.711 0.198 1.00 2.34 C ATOM 532 O PHE A 44 -2.744 -8.840 -0.198 1.00 33.50 O ATOM 533 CB PHE A 44 -2.408 -5.615 -1.171 1.00 53.30 C ATOM 534 CG PHE A 44 -3.113 -5.205 -2.434 1.00 33.40 C ATOM 535 CD1 PHE A 44 -3.822 -6.135 -3.179 1.00 11.20 C ATOM 536 CD2 PHE A 44 -3.066 -3.893 -2.874 1.00 13.40 C ATOM 537 CE1 PHE A 44 -4.471 -5.762 -4.340 1.00 42.40 C ATOM 538 CE2 PHE A 44 -3.713 -3.514 -4.035 1.00 2.44 C ATOM 539 CZ PHE A 44 -4.416 -4.449 -4.769 1.00 11.00 C ATOM 0 H PHE A 44 -3.390 -4.756 0.909 1.00 0.33 H new ATOM 0 HA PHE A 44 -4.131 -6.846 -0.804 1.00 33.30 H new ATOM 0 HB2 PHE A 44 -2.107 -4.720 -0.626 1.00 53.30 H new ATOM 0 HB3 PHE A 44 -1.496 -6.152 -1.432 1.00 53.30 H new ATOM 0 HD1 PHE A 44 -3.867 -7.162 -2.848 1.00 11.20 H new ATOM 0 HD2 PHE A 44 -2.518 -3.158 -2.304 1.00 13.40 H new ATOM 0 HE1 PHE A 44 -5.021 -6.495 -4.912 1.00 42.40 H new ATOM 0 HE2 PHE A 44 -3.669 -2.488 -4.368 1.00 2.44 H new ATOM 0 HZ PHE A 44 -4.922 -4.155 -5.677 1.00 11.00 H new ATOM 549 N LEU A 45 -1.446 -7.471 1.029 1.00 61.20 N ATOM 550 CA LEU A 45 -0.602 -8.545 1.536 1.00 40.00 C ATOM 551 C LEU A 45 -1.406 -9.511 2.400 1.00 74.20 C ATOM 552 O LEU A 45 -1.092 -10.699 2.477 1.00 71.10 O ATOM 553 CB LEU A 45 0.563 -7.969 2.344 1.00 54.50 C ATOM 554 CG LEU A 45 1.711 -7.398 1.509 1.00 63.10 C ATOM 555 CD1 LEU A 45 2.821 -6.883 2.412 1.00 64.30 C ATOM 556 CD2 LEU A 45 2.245 -8.451 0.551 1.00 21.20 C ATOM 0 H LEU A 45 -1.193 -6.542 1.365 1.00 61.20 H new ATOM 0 HA LEU A 45 -0.207 -9.095 0.682 1.00 40.00 H new ATOM 0 HB2 LEU A 45 0.180 -7.182 2.994 1.00 54.50 H new ATOM 0 HB3 LEU A 45 0.959 -8.752 2.991 1.00 54.50 H new ATOM 0 HG LEU A 45 1.330 -6.561 0.923 1.00 63.10 H new ATOM 0 HD11 LEU A 45 3.629 -6.480 1.802 1.00 64.30 H new ATOM 0 HD12 LEU A 45 2.429 -6.098 3.059 1.00 64.30 H new ATOM 0 HD13 LEU A 45 3.201 -7.701 3.024 1.00 64.30 H new ATOM 0 HD21 LEU A 45 3.061 -8.029 -0.036 1.00 21.20 H new ATOM 0 HD22 LEU A 45 2.611 -9.307 1.118 1.00 21.20 H new ATOM 0 HD23 LEU A 45 1.447 -8.773 -0.117 1.00 21.20 H new ATOM 568 N HIS A 46 -2.446 -8.994 3.049 1.00 12.10 N ATOM 569 CA HIS A 46 -3.295 -9.811 3.908 1.00 63.20 C ATOM 570 C HIS A 46 -3.890 -10.983 3.134 1.00 53.10 C ATOM 571 O HIS A 46 -3.801 -12.133 3.563 1.00 11.00 O ATOM 572 CB HIS A 46 -4.415 -8.961 4.509 1.00 11.10 C ATOM 573 CG HIS A 46 -4.909 -9.468 5.829 1.00 73.20 C ATOM 574 ND1 HIS A 46 -4.475 -8.965 7.038 1.00 61.20 N ATOM 575 CD2 HIS A 46 -5.805 -10.438 6.126 1.00 13.50 C ATOM 576 CE1 HIS A 46 -5.084 -9.605 8.022 1.00 3.14 C ATOM 577 NE2 HIS A 46 -5.895 -10.504 7.495 1.00 5.41 N ATOM 0 H HIS A 46 -2.720 -8.013 2.996 1.00 12.10 H new ATOM 0 HA HIS A 46 -2.677 -10.209 4.713 1.00 63.20 H new ATOM 0 HB2 HIS A 46 -4.058 -7.939 4.632 1.00 11.10 H new ATOM 0 HB3 HIS A 46 -5.249 -8.925 3.808 1.00 11.10 H new ATOM 0 HD2 HIS A 46 -6.348 -11.047 5.418 1.00 13.50 H new ATOM 0 HE1 HIS A 46 -4.942 -9.423 9.077 1.00 3.14 H new ATOM 0 HE2 HIS A 46 -6.492 -11.144 8.020 1.00 5.41 H new ATOM 586 N VAL A 47 -4.495 -10.683 1.989 1.00 11.10 N ATOM 587 CA VAL A 47 -5.104 -11.712 1.154 1.00 1.04 C ATOM 588 C VAL A 47 -4.044 -12.630 0.555 1.00 55.40 C ATOM 589 O VAL A 47 -4.297 -13.809 0.319 1.00 4.32 O ATOM 590 CB VAL A 47 -5.934 -11.093 0.015 1.00 14.40 C ATOM 591 CG1 VAL A 47 -7.155 -10.382 0.573 1.00 60.00 C ATOM 592 CG2 VAL A 47 -5.084 -10.135 -0.806 1.00 73.00 C ATOM 0 H VAL A 47 -4.577 -9.736 1.618 1.00 11.10 H new ATOM 0 HA VAL A 47 -5.764 -12.293 1.798 1.00 1.04 H new ATOM 0 HB VAL A 47 -6.273 -11.896 -0.640 1.00 14.40 H new ATOM 0 HG11 VAL A 47 -7.730 -9.950 -0.246 1.00 60.00 H new ATOM 0 HG12 VAL A 47 -7.775 -11.095 1.116 1.00 60.00 H new ATOM 0 HG13 VAL A 47 -6.837 -9.589 1.250 1.00 60.00 H new ATOM 0 HG21 VAL A 47 -5.688 -9.707 -1.606 1.00 73.00 H new ATOM 0 HG22 VAL A 47 -4.714 -9.336 -0.164 1.00 73.00 H new ATOM 0 HG23 VAL A 47 -4.241 -10.675 -1.237 1.00 73.00 H new ATOM 602 N VAL A 48 -2.860 -12.078 0.311 1.00 23.20 N ATOM 603 CA VAL A 48 -1.764 -12.843 -0.261 1.00 1.03 C ATOM 604 C VAL A 48 -1.262 -13.892 0.723 1.00 4.31 C ATOM 605 O VAL A 48 -0.907 -15.006 0.332 1.00 52.40 O ATOM 606 CB VAL A 48 -0.591 -11.930 -0.669 1.00 5.41 C ATOM 607 CG1 VAL A 48 0.482 -12.728 -1.395 1.00 51.30 C ATOM 608 CG2 VAL A 48 -1.081 -10.785 -1.532 1.00 22.10 C ATOM 0 H VAL A 48 -2.637 -11.101 0.502 1.00 23.20 H new ATOM 0 HA VAL A 48 -2.151 -13.337 -1.152 1.00 1.03 H new ATOM 0 HB VAL A 48 -0.152 -11.512 0.237 1.00 5.41 H new ATOM 0 HG11 VAL A 48 1.301 -12.066 -1.675 1.00 51.30 H new ATOM 0 HG12 VAL A 48 0.858 -13.513 -0.739 1.00 51.30 H new ATOM 0 HG13 VAL A 48 0.057 -13.178 -2.292 1.00 51.30 H new ATOM 0 HG21 VAL A 48 -0.238 -10.152 -1.810 1.00 22.10 H new ATOM 0 HG22 VAL A 48 -1.548 -11.183 -2.433 1.00 22.10 H new ATOM 0 HG23 VAL A 48 -1.809 -10.196 -0.975 1.00 22.10 H new ATOM 618 N LYS A 49 -1.227 -13.537 2.002 1.00 71.20 N ATOM 619 CA LYS A 49 -0.769 -14.444 3.042 1.00 12.20 C ATOM 620 C LYS A 49 -1.737 -15.611 3.211 1.00 41.30 C ATOM 621 O LYS A 49 -1.319 -16.753 3.417 1.00 3.34 O ATOM 622 CB LYS A 49 -0.610 -13.703 4.369 1.00 2.13 C ATOM 623 CG LYS A 49 0.772 -13.103 4.570 1.00 10.20 C ATOM 624 CD LYS A 49 0.779 -11.610 4.265 1.00 23.20 C ATOM 625 CE LYS A 49 1.804 -10.871 5.111 1.00 13.50 C ATOM 626 NZ LYS A 49 3.200 -11.255 4.746 1.00 12.40 N ATOM 0 H LYS A 49 -1.513 -12.619 2.343 1.00 71.20 H new ATOM 0 HA LYS A 49 0.201 -14.838 2.739 1.00 12.20 H new ATOM 0 HB2 LYS A 49 -1.353 -12.908 4.423 1.00 2.13 H new ATOM 0 HB3 LYS A 49 -0.820 -14.392 5.187 1.00 2.13 H new ATOM 0 HG2 LYS A 49 1.096 -13.268 5.598 1.00 10.20 H new ATOM 0 HG3 LYS A 49 1.488 -13.611 3.925 1.00 10.20 H new ATOM 0 HD2 LYS A 49 0.998 -11.455 3.209 1.00 23.20 H new ATOM 0 HD3 LYS A 49 -0.212 -11.196 4.449 1.00 23.20 H new ATOM 0 HE2 LYS A 49 1.676 -9.796 4.981 1.00 13.50 H new ATOM 0 HE3 LYS A 49 1.631 -11.088 6.165 1.00 13.50 H new ATOM 0 HZ1 LYS A 49 3.770 -11.356 5.610 1.00 12.40 H new ATOM 0 HZ2 LYS A 49 3.188 -12.159 4.232 1.00 12.40 H new ATOM 0 HZ3 LYS A 49 3.616 -10.518 4.141 1.00 12.40 H new ATOM 640 N TYR A 50 -3.028 -15.321 3.124 1.00 73.40 N ATOM 641 CA TYR A 50 -4.059 -16.340 3.267 1.00 20.40 C ATOM 642 C TYR A 50 -4.532 -16.832 1.903 1.00 73.20 C ATOM 643 O TYR A 50 -4.180 -17.939 1.474 1.00 53.30 O ATOM 644 CB TYR A 50 -5.237 -15.792 4.069 1.00 70.00 C ATOM 645 CG TYR A 50 -4.909 -15.492 5.508 1.00 60.50 C ATOM 646 CD1 TYR A 50 -3.947 -14.544 5.833 1.00 64.00 C ATOM 647 CD2 TYR A 50 -5.561 -16.145 6.545 1.00 65.30 C ATOM 648 CE1 TYR A 50 -3.643 -14.255 7.149 1.00 22.00 C ATOM 649 CE2 TYR A 50 -5.258 -15.869 7.866 1.00 73.10 C ATOM 650 CZ TYR A 50 -4.299 -14.924 8.162 1.00 1.00 C ATOM 651 OH TYR A 50 -4.001 -14.639 9.475 1.00 61.50 O ATOM 0 H TYR A 50 -3.388 -14.382 2.954 1.00 73.40 H new ATOM 0 HA TYR A 50 -3.629 -17.186 3.804 1.00 20.40 H new ATOM 0 HB2 TYR A 50 -5.597 -14.881 3.591 1.00 70.00 H new ATOM 0 HB3 TYR A 50 -6.054 -16.513 4.035 1.00 70.00 H new ATOM 0 HD1 TYR A 50 -3.427 -14.023 5.042 1.00 64.00 H new ATOM 0 HD2 TYR A 50 -6.318 -16.881 6.316 1.00 65.30 H new ATOM 0 HE1 TYR A 50 -2.897 -13.510 7.384 1.00 22.00 H new ATOM 0 HE2 TYR A 50 -5.770 -16.391 8.661 1.00 73.10 H new ATOM 0 HH TYR A 50 -4.552 -15.196 10.064 1.00 61.50 H new ATOM 661 N GLU A 51 -5.325 -16.013 1.226 1.00 0.15 N ATOM 662 CA GLU A 51 -5.839 -16.361 -0.086 1.00 72.10 C ATOM 663 C GLU A 51 -4.803 -16.086 -1.172 1.00 5.40 C ATOM 664 O GLU A 51 -4.807 -15.022 -1.791 1.00 30.40 O ATOM 665 CB GLU A 51 -7.127 -15.577 -0.379 1.00 2.43 C ATOM 666 CG GLU A 51 -7.849 -16.038 -1.631 1.00 12.40 C ATOM 667 CD GLU A 51 -9.357 -16.044 -1.468 1.00 62.50 C ATOM 668 OE1 GLU A 51 -9.856 -16.762 -0.576 1.00 23.40 O ATOM 669 OE2 GLU A 51 -10.037 -15.328 -2.231 1.00 0.10 O ATOM 0 H GLU A 51 -5.626 -15.100 1.568 1.00 0.15 H new ATOM 0 HA GLU A 51 -6.062 -17.428 -0.088 1.00 72.10 H new ATOM 0 HB2 GLU A 51 -7.800 -15.670 0.473 1.00 2.43 H new ATOM 0 HB3 GLU A 51 -6.883 -14.519 -0.479 1.00 2.43 H new ATOM 0 HG2 GLU A 51 -7.580 -15.386 -2.462 1.00 12.40 H new ATOM 0 HG3 GLU A 51 -7.512 -17.041 -1.891 1.00 12.40 H new ATOM 676 N ALA A 52 -3.927 -17.055 -1.403 1.00 31.40 N ATOM 677 CA ALA A 52 -2.884 -16.912 -2.412 1.00 0.15 C ATOM 678 C ALA A 52 -3.181 -17.790 -3.627 1.00 54.20 C ATOM 679 O ALA A 52 -3.405 -18.993 -3.493 1.00 73.10 O ATOM 680 CB ALA A 52 -1.530 -17.258 -1.824 1.00 64.00 C ATOM 0 H ALA A 52 -3.917 -17.946 -0.907 1.00 31.40 H new ATOM 0 HA ALA A 52 -2.865 -15.873 -2.740 1.00 0.15 H new ATOM 0 HB1 ALA A 52 -0.762 -17.147 -2.589 1.00 64.00 H new ATOM 0 HB2 ALA A 52 -1.313 -16.589 -0.992 1.00 64.00 H new ATOM 0 HB3 ALA A 52 -1.540 -18.288 -1.468 1.00 64.00 H new ATOM 686 N GLN A 53 -3.176 -17.182 -4.808 1.00 1.23 N ATOM 687 CA GLN A 53 -3.433 -17.908 -6.041 1.00 61.40 C ATOM 688 C GLN A 53 -2.142 -18.410 -6.670 1.00 41.30 C ATOM 689 O GLN A 53 -1.903 -19.611 -6.745 1.00 73.00 O ATOM 690 CB GLN A 53 -4.185 -17.015 -7.034 1.00 44.30 C ATOM 691 CG GLN A 53 -5.060 -17.788 -8.006 1.00 74.20 C ATOM 692 CD GLN A 53 -4.336 -18.155 -9.286 1.00 4.42 C ATOM 693 OE1 GLN A 53 -3.554 -17.364 -9.815 1.00 41.20 O ATOM 694 NE2 GLN A 53 -4.594 -19.350 -9.789 1.00 2.20 N ATOM 0 H GLN A 53 -2.996 -16.186 -4.935 1.00 1.23 H new ATOM 0 HA GLN A 53 -4.048 -18.774 -5.796 1.00 61.40 H new ATOM 0 HB2 GLN A 53 -4.806 -16.312 -6.479 1.00 44.30 H new ATOM 0 HB3 GLN A 53 -3.463 -16.425 -7.598 1.00 44.30 H new ATOM 0 HG2 GLN A 53 -5.416 -18.697 -7.522 1.00 74.20 H new ATOM 0 HG3 GLN A 53 -5.939 -17.191 -8.250 1.00 74.20 H new ATOM 0 HE21 GLN A 53 -5.249 -19.972 -9.316 1.00 2.20 H new ATOM 0 HE22 GLN A 53 -4.138 -19.650 -10.650 1.00 2.20 H new ATOM 703 N GLY A 54 -1.304 -17.472 -7.114 1.00 54.40 N ATOM 704 CA GLY A 54 -0.044 -17.840 -7.728 1.00 63.40 C ATOM 705 C GLY A 54 0.870 -16.650 -7.939 1.00 22.10 C ATOM 706 O GLY A 54 0.589 -15.555 -7.456 1.00 34.10 O ATOM 0 H GLY A 54 -1.478 -16.469 -7.058 1.00 54.40 H new ATOM 0 HA2 GLY A 54 0.461 -18.575 -7.101 1.00 63.40 H new ATOM 0 HA3 GLY A 54 -0.238 -18.319 -8.688 1.00 63.40 H new ATOM 710 N ASP A 55 1.957 -16.862 -8.666 1.00 33.40 N ATOM 711 CA ASP A 55 2.916 -15.802 -8.941 1.00 31.20 C ATOM 712 C ASP A 55 2.248 -14.652 -9.700 1.00 10.40 C ATOM 713 O ASP A 55 2.622 -13.490 -9.544 1.00 3.20 O ATOM 714 CB ASP A 55 4.096 -16.338 -9.746 1.00 63.50 C ATOM 715 CG ASP A 55 4.931 -17.322 -8.953 1.00 3.12 C ATOM 716 OD1 ASP A 55 4.900 -17.258 -7.706 1.00 5.12 O ATOM 717 OD2 ASP A 55 5.620 -18.163 -9.579 1.00 72.40 O ATOM 0 H ASP A 55 2.198 -17.763 -9.078 1.00 33.40 H new ATOM 0 HA ASP A 55 3.284 -15.426 -7.986 1.00 31.20 H new ATOM 0 HB2 ASP A 55 3.727 -16.823 -10.649 1.00 63.50 H new ATOM 0 HB3 ASP A 55 4.724 -15.506 -10.065 1.00 63.50 H new ATOM 722 N LYS A 56 1.265 -14.987 -10.518 1.00 24.40 N ATOM 723 CA LYS A 56 0.543 -13.990 -11.303 1.00 4.44 C ATOM 724 C LYS A 56 -0.136 -12.971 -10.395 1.00 5.40 C ATOM 725 O LYS A 56 0.171 -11.782 -10.441 1.00 24.40 O ATOM 726 CB LYS A 56 -0.488 -14.666 -12.197 1.00 13.10 C ATOM 727 CG LYS A 56 0.070 -15.140 -13.528 1.00 3.13 C ATOM 728 CD LYS A 56 0.108 -14.017 -14.544 1.00 24.00 C ATOM 729 CE LYS A 56 1.358 -14.089 -15.406 1.00 24.30 C ATOM 730 NZ LYS A 56 1.292 -15.210 -16.387 1.00 51.10 N ATOM 0 H LYS A 56 0.945 -15.945 -10.659 1.00 24.40 H new ATOM 0 HA LYS A 56 1.263 -13.464 -11.930 1.00 4.44 H new ATOM 0 HB2 LYS A 56 -0.911 -15.519 -11.667 1.00 13.10 H new ATOM 0 HB3 LYS A 56 -1.305 -13.970 -12.384 1.00 13.10 H new ATOM 0 HG2 LYS A 56 1.075 -15.535 -13.383 1.00 3.13 H new ATOM 0 HG3 LYS A 56 -0.541 -15.957 -13.910 1.00 3.13 H new ATOM 0 HD2 LYS A 56 -0.777 -14.069 -15.179 1.00 24.00 H new ATOM 0 HD3 LYS A 56 0.075 -13.057 -14.029 1.00 24.00 H new ATOM 0 HE2 LYS A 56 1.486 -13.147 -15.939 1.00 24.30 H new ATOM 0 HE3 LYS A 56 2.232 -14.216 -14.768 1.00 24.30 H new ATOM 0 HZ1 LYS A 56 2.163 -15.225 -16.956 1.00 51.10 H new ATOM 0 HZ2 LYS A 56 1.195 -16.112 -15.878 1.00 51.10 H new ATOM 0 HZ3 LYS A 56 0.472 -15.076 -17.013 1.00 51.10 H new ATOM 744 N ALA A 57 -1.062 -13.444 -9.569 1.00 33.20 N ATOM 745 CA ALA A 57 -1.779 -12.577 -8.647 1.00 53.20 C ATOM 746 C ALA A 57 -0.832 -11.878 -7.691 1.00 45.40 C ATOM 747 O ALA A 57 -0.910 -10.670 -7.495 1.00 1.04 O ATOM 748 CB ALA A 57 -2.820 -13.372 -7.872 1.00 20.10 C ATOM 0 H ALA A 57 -1.333 -14.426 -9.520 1.00 33.20 H new ATOM 0 HA ALA A 57 -2.284 -11.811 -9.236 1.00 53.20 H new ATOM 0 HB1 ALA A 57 -3.348 -12.709 -7.186 1.00 20.10 H new ATOM 0 HB2 ALA A 57 -3.532 -13.815 -8.568 1.00 20.10 H new ATOM 0 HB3 ALA A 57 -2.327 -14.162 -7.305 1.00 20.10 H new ATOM 754 N LYS A 58 0.070 -12.646 -7.096 1.00 10.20 N ATOM 755 CA LYS A 58 1.042 -12.098 -6.157 1.00 71.20 C ATOM 756 C LYS A 58 1.917 -11.047 -6.831 1.00 75.40 C ATOM 757 O LYS A 58 2.358 -10.093 -6.192 1.00 53.10 O ATOM 758 CB LYS A 58 1.923 -13.223 -5.588 1.00 63.50 C ATOM 759 CG LYS A 58 1.138 -14.297 -4.851 1.00 32.20 C ATOM 760 CD LYS A 58 1.991 -15.517 -4.576 1.00 62.10 C ATOM 761 CE LYS A 58 2.616 -15.461 -3.191 1.00 45.50 C ATOM 762 NZ LYS A 58 3.348 -16.717 -2.859 1.00 12.50 N ATOM 0 H LYS A 58 0.150 -13.652 -7.246 1.00 10.20 H new ATOM 0 HA LYS A 58 0.496 -11.623 -5.342 1.00 71.20 H new ATOM 0 HB2 LYS A 58 2.478 -13.686 -6.404 1.00 63.50 H new ATOM 0 HB3 LYS A 58 2.657 -12.790 -4.908 1.00 63.50 H new ATOM 0 HG2 LYS A 58 0.763 -13.894 -3.910 1.00 32.20 H new ATOM 0 HG3 LYS A 58 0.269 -14.585 -5.443 1.00 32.20 H new ATOM 0 HD2 LYS A 58 1.381 -16.416 -4.665 1.00 62.10 H new ATOM 0 HD3 LYS A 58 2.777 -15.590 -5.328 1.00 62.10 H new ATOM 0 HE2 LYS A 58 3.302 -14.616 -3.137 1.00 45.50 H new ATOM 0 HE3 LYS A 58 1.837 -15.288 -2.448 1.00 45.50 H new ATOM 0 HZ1 LYS A 58 3.759 -16.638 -1.907 1.00 12.50 H new ATOM 0 HZ2 LYS A 58 2.688 -17.521 -2.886 1.00 12.50 H new ATOM 0 HZ3 LYS A 58 4.108 -16.870 -3.552 1.00 12.50 H new ATOM 776 N GLN A 59 2.164 -11.227 -8.124 1.00 72.20 N ATOM 777 CA GLN A 59 2.988 -10.296 -8.883 1.00 1.24 C ATOM 778 C GLN A 59 2.288 -8.954 -9.029 1.00 74.30 C ATOM 779 O GLN A 59 2.935 -7.907 -9.077 1.00 24.10 O ATOM 780 CB GLN A 59 3.308 -10.873 -10.264 1.00 34.20 C ATOM 781 CG GLN A 59 4.571 -11.707 -10.296 1.00 3.24 C ATOM 782 CD GLN A 59 5.749 -10.969 -10.896 1.00 62.20 C ATOM 783 OE1 GLN A 59 5.879 -10.876 -12.119 1.00 35.50 O ATOM 784 NE2 GLN A 59 6.614 -10.434 -10.045 1.00 35.20 N ATOM 0 H GLN A 59 1.804 -12.011 -8.668 1.00 72.20 H new ATOM 0 HA GLN A 59 3.920 -10.144 -8.339 1.00 1.24 H new ATOM 0 HB2 GLN A 59 2.470 -11.486 -10.595 1.00 34.20 H new ATOM 0 HB3 GLN A 59 3.405 -10.054 -10.977 1.00 34.20 H new ATOM 0 HG2 GLN A 59 4.821 -12.017 -9.281 1.00 3.24 H new ATOM 0 HG3 GLN A 59 4.387 -12.615 -10.870 1.00 3.24 H new ATOM 0 HE21 GLN A 59 6.469 -10.534 -9.040 1.00 35.20 H new ATOM 0 HE22 GLN A 59 7.424 -9.922 -10.395 1.00 35.20 H new ATOM 793 N SER A 60 0.961 -8.987 -9.103 1.00 35.00 N ATOM 794 CA SER A 60 0.172 -7.770 -9.244 1.00 2.03 C ATOM 795 C SER A 60 0.107 -7.007 -7.925 1.00 54.20 C ATOM 796 O SER A 60 0.453 -5.827 -7.861 1.00 11.10 O ATOM 797 CB SER A 60 -1.242 -8.105 -9.723 1.00 21.10 C ATOM 798 OG SER A 60 -1.261 -8.363 -11.117 1.00 1.01 O ATOM 0 H SER A 60 0.410 -9.845 -9.068 1.00 35.00 H new ATOM 0 HA SER A 60 0.658 -7.137 -9.986 1.00 2.03 H new ATOM 0 HB2 SER A 60 -1.615 -8.976 -9.184 1.00 21.10 H new ATOM 0 HB3 SER A 60 -1.913 -7.277 -9.494 1.00 21.10 H new ATOM 0 HG SER A 60 -2.175 -8.576 -11.398 1.00 1.01 H new ATOM 804 N ILE A 61 -0.340 -7.688 -6.874 1.00 62.20 N ATOM 805 CA ILE A 61 -0.451 -7.075 -5.557 1.00 31.40 C ATOM 806 C ILE A 61 0.901 -6.562 -5.073 1.00 20.20 C ATOM 807 O ILE A 61 0.989 -5.502 -4.455 1.00 64.20 O ATOM 808 CB ILE A 61 -1.012 -8.067 -4.520 1.00 71.50 C ATOM 809 CG1 ILE A 61 -0.182 -9.352 -4.509 1.00 33.10 C ATOM 810 CG2 ILE A 61 -2.472 -8.373 -4.817 1.00 14.30 C ATOM 811 CD1 ILE A 61 0.838 -9.403 -3.392 1.00 40.30 C ATOM 0 H ILE A 61 -0.631 -8.665 -6.910 1.00 62.20 H new ATOM 0 HA ILE A 61 -1.140 -6.237 -5.657 1.00 31.40 H new ATOM 0 HB ILE A 61 -0.951 -7.611 -3.532 1.00 71.50 H new ATOM 0 HG12 ILE A 61 -0.852 -10.207 -4.418 1.00 33.10 H new ATOM 0 HG13 ILE A 61 0.333 -9.451 -5.465 1.00 33.10 H new ATOM 0 HG21 ILE A 61 -2.855 -9.075 -4.076 1.00 14.30 H new ATOM 0 HG22 ILE A 61 -3.052 -7.451 -4.777 1.00 14.30 H new ATOM 0 HG23 ILE A 61 -2.557 -8.812 -5.811 1.00 14.30 H new ATOM 0 HD11 ILE A 61 1.390 -10.342 -3.446 1.00 40.30 H new ATOM 0 HD12 ILE A 61 1.531 -8.568 -3.494 1.00 40.30 H new ATOM 0 HD13 ILE A 61 0.329 -9.336 -2.431 1.00 40.30 H new ATOM 823 N ARG A 62 1.953 -7.322 -5.358 1.00 10.40 N ATOM 824 CA ARG A 62 3.302 -6.944 -4.952 1.00 14.40 C ATOM 825 C ARG A 62 3.720 -5.633 -5.610 1.00 22.20 C ATOM 826 O ARG A 62 4.120 -4.687 -4.932 1.00 23.10 O ATOM 827 CB ARG A 62 4.295 -8.050 -5.314 1.00 42.50 C ATOM 828 CG ARG A 62 4.432 -9.112 -4.239 1.00 44.10 C ATOM 829 CD ARG A 62 5.885 -9.505 -4.031 1.00 62.30 C ATOM 830 NE ARG A 62 6.231 -10.730 -4.754 1.00 1.13 N ATOM 831 CZ ARG A 62 7.474 -11.076 -5.069 1.00 34.30 C ATOM 832 NH1 ARG A 62 8.500 -10.310 -4.722 1.00 15.50 N ATOM 833 NH2 ARG A 62 7.699 -12.207 -5.730 1.00 20.10 N ATOM 0 H ARG A 62 1.898 -8.203 -5.868 1.00 10.40 H new ATOM 0 HA ARG A 62 3.304 -6.804 -3.871 1.00 14.40 H new ATOM 0 HB2 ARG A 62 3.978 -8.523 -6.243 1.00 42.50 H new ATOM 0 HB3 ARG A 62 5.272 -7.604 -5.501 1.00 42.50 H new ATOM 0 HG2 ARG A 62 4.016 -8.740 -3.303 1.00 44.10 H new ATOM 0 HG3 ARG A 62 3.852 -9.992 -4.518 1.00 44.10 H new ATOM 0 HD2 ARG A 62 6.531 -8.693 -4.364 1.00 62.30 H new ATOM 0 HD3 ARG A 62 6.073 -9.647 -2.967 1.00 62.30 H new ATOM 0 HE ARG A 62 5.474 -11.354 -5.032 1.00 1.13 H new ATOM 0 HH11 ARG A 62 8.339 -9.444 -4.207 1.00 15.50 H new ATOM 0 HH12 ARG A 62 9.450 -10.587 -4.970 1.00 15.50 H new ATOM 0 HH21 ARG A 62 6.918 -12.807 -5.994 1.00 20.10 H new ATOM 0 HH22 ARG A 62 8.653 -12.475 -5.973 1.00 20.10 H new ATOM 847 N ALA A 63 3.623 -5.585 -6.934 1.00 53.40 N ATOM 848 CA ALA A 63 3.990 -4.391 -7.684 1.00 32.50 C ATOM 849 C ALA A 63 3.144 -3.195 -7.259 1.00 44.30 C ATOM 850 O ALA A 63 3.598 -2.053 -7.306 1.00 34.50 O ATOM 851 CB ALA A 63 3.843 -4.639 -9.178 1.00 30.40 C ATOM 0 H ALA A 63 3.293 -6.360 -7.510 1.00 53.40 H new ATOM 0 HA ALA A 63 5.033 -4.162 -7.466 1.00 32.50 H new ATOM 0 HB1 ALA A 63 4.121 -3.738 -9.725 1.00 30.40 H new ATOM 0 HB2 ALA A 63 4.495 -5.460 -9.476 1.00 30.40 H new ATOM 0 HB3 ALA A 63 2.808 -4.896 -9.404 1.00 30.40 H new ATOM 857 N LYS A 64 1.911 -3.468 -6.843 1.00 23.10 N ATOM 858 CA LYS A 64 1.001 -2.416 -6.408 1.00 50.40 C ATOM 859 C LYS A 64 1.320 -1.975 -4.984 1.00 12.50 C ATOM 860 O LYS A 64 1.136 -0.811 -4.627 1.00 71.40 O ATOM 861 CB LYS A 64 -0.448 -2.899 -6.492 1.00 64.40 C ATOM 862 CG LYS A 64 -0.991 -2.947 -7.911 1.00 21.20 C ATOM 863 CD LYS A 64 -2.509 -3.042 -7.925 1.00 74.10 C ATOM 864 CE LYS A 64 -3.037 -3.316 -9.322 1.00 45.10 C ATOM 865 NZ LYS A 64 -2.934 -2.117 -10.200 1.00 32.10 N ATOM 0 H LYS A 64 1.520 -4.409 -6.798 1.00 23.10 H new ATOM 0 HA LYS A 64 1.131 -1.561 -7.072 1.00 50.40 H new ATOM 0 HB2 LYS A 64 -0.517 -3.894 -6.051 1.00 64.40 H new ATOM 0 HB3 LYS A 64 -1.077 -2.241 -5.893 1.00 64.40 H new ATOM 0 HG2 LYS A 64 -0.676 -2.055 -8.452 1.00 21.20 H new ATOM 0 HG3 LYS A 64 -0.567 -3.804 -8.435 1.00 21.20 H new ATOM 0 HD2 LYS A 64 -2.831 -3.836 -7.251 1.00 74.10 H new ATOM 0 HD3 LYS A 64 -2.936 -2.112 -7.549 1.00 74.10 H new ATOM 0 HE2 LYS A 64 -2.479 -4.140 -9.766 1.00 45.10 H new ATOM 0 HE3 LYS A 64 -4.078 -3.633 -9.261 1.00 45.10 H new ATOM 0 HZ1 LYS A 64 -3.305 -2.345 -11.144 1.00 32.10 H new ATOM 0 HZ2 LYS A 64 -3.488 -1.338 -9.790 1.00 32.10 H new ATOM 0 HZ3 LYS A 64 -1.938 -1.829 -10.279 1.00 32.10 H new ATOM 879 N CYS A 65 1.798 -2.914 -4.172 1.00 21.20 N ATOM 880 CA CYS A 65 2.144 -2.621 -2.786 1.00 54.30 C ATOM 881 C CYS A 65 3.410 -1.774 -2.707 1.00 71.50 C ATOM 882 O CYS A 65 3.553 -0.934 -1.819 1.00 33.50 O ATOM 883 CB CYS A 65 2.335 -3.919 -2.001 1.00 55.10 C ATOM 884 SG CYS A 65 0.794 -4.786 -1.623 1.00 13.40 S ATOM 0 H CYS A 65 1.954 -3.883 -4.450 1.00 21.20 H new ATOM 0 HA CYS A 65 1.323 -2.055 -2.345 1.00 54.30 H new ATOM 0 HB2 CYS A 65 2.983 -4.584 -2.572 1.00 55.10 H new ATOM 0 HB3 CYS A 65 2.851 -3.694 -1.068 1.00 55.10 H new ATOM 0 HG CYS A 65 0.378 -5.414 -2.683 1.00 13.40 H new ATOM 890 N THR A 66 4.326 -2.001 -3.643 1.00 53.10 N ATOM 891 CA THR A 66 5.581 -1.259 -3.681 1.00 30.50 C ATOM 892 C THR A 66 5.361 0.152 -4.219 1.00 64.10 C ATOM 893 O THR A 66 5.930 1.117 -3.708 1.00 2.04 O ATOM 894 CB THR A 66 6.606 -1.994 -4.545 1.00 3.15 C ATOM 895 OG1 THR A 66 6.815 -3.310 -4.064 1.00 61.00 O ATOM 896 CG2 THR A 66 7.952 -1.304 -4.593 1.00 1.01 C ATOM 0 H THR A 66 4.223 -2.693 -4.385 1.00 53.10 H new ATOM 0 HA THR A 66 5.963 -1.185 -2.663 1.00 30.50 H new ATOM 0 HB THR A 66 6.184 -2.003 -5.550 1.00 3.15 H new ATOM 0 HG1 THR A 66 6.032 -3.862 -4.270 1.00 61.00 H new ATOM 0 HG21 THR A 66 8.632 -1.877 -5.223 1.00 1.01 H new ATOM 0 HG22 THR A 66 7.833 -0.302 -5.006 1.00 1.01 H new ATOM 0 HG23 THR A 66 8.362 -1.235 -3.585 1.00 1.01 H new ATOM 904 N GLU A 67 4.535 0.263 -5.253 1.00 42.30 N ATOM 905 CA GLU A 67 4.240 1.555 -5.861 1.00 62.40 C ATOM 906 C GLU A 67 3.604 2.501 -4.847 1.00 53.30 C ATOM 907 O GLU A 67 4.016 3.653 -4.713 1.00 2.14 O ATOM 908 CB GLU A 67 3.311 1.378 -7.063 1.00 51.40 C ATOM 909 CG GLU A 67 3.293 2.575 -8.000 1.00 22.30 C ATOM 910 CD GLU A 67 1.983 2.706 -8.751 1.00 35.40 C ATOM 911 OE1 GLU A 67 0.934 2.872 -8.093 1.00 3.35 O ATOM 912 OE2 GLU A 67 2.005 2.643 -9.998 1.00 14.50 O ATOM 0 H GLU A 67 4.058 -0.526 -5.688 1.00 42.30 H new ATOM 0 HA GLU A 67 5.180 1.992 -6.199 1.00 62.40 H new ATOM 0 HB2 GLU A 67 3.618 0.494 -7.622 1.00 51.40 H new ATOM 0 HB3 GLU A 67 2.298 1.192 -6.705 1.00 51.40 H new ATOM 0 HG2 GLU A 67 3.471 3.484 -7.426 1.00 22.30 H new ATOM 0 HG3 GLU A 67 4.110 2.484 -8.715 1.00 22.30 H new ATOM 919 N TYR A 68 2.596 2.005 -4.135 1.00 74.20 N ATOM 920 CA TYR A 68 1.903 2.806 -3.133 1.00 43.10 C ATOM 921 C TYR A 68 2.788 3.035 -1.912 1.00 42.30 C ATOM 922 O TYR A 68 2.735 4.093 -1.284 1.00 23.40 O ATOM 923 CB TYR A 68 0.602 2.119 -2.712 1.00 3.44 C ATOM 924 CG TYR A 68 -0.387 1.949 -3.843 1.00 63.50 C ATOM 925 CD1 TYR A 68 -0.626 2.981 -4.743 1.00 31.20 C ATOM 926 CD2 TYR A 68 -1.082 0.758 -4.011 1.00 64.00 C ATOM 927 CE1 TYR A 68 -1.529 2.829 -5.778 1.00 21.30 C ATOM 928 CE2 TYR A 68 -1.987 0.599 -5.044 1.00 61.20 C ATOM 929 CZ TYR A 68 -2.207 1.638 -5.923 1.00 42.40 C ATOM 930 OH TYR A 68 -3.107 1.483 -6.953 1.00 52.10 O ATOM 0 H TYR A 68 2.242 1.054 -4.234 1.00 74.20 H new ATOM 0 HA TYR A 68 1.669 3.774 -3.576 1.00 43.10 H new ATOM 0 HB2 TYR A 68 0.837 1.139 -2.296 1.00 3.44 H new ATOM 0 HB3 TYR A 68 0.135 2.700 -1.917 1.00 3.44 H new ATOM 0 HD1 TYR A 68 -0.098 3.916 -4.632 1.00 31.20 H new ATOM 0 HD2 TYR A 68 -0.913 -0.057 -3.323 1.00 64.00 H new ATOM 0 HE1 TYR A 68 -1.703 3.640 -6.470 1.00 21.30 H new ATOM 0 HE2 TYR A 68 -2.519 -0.334 -5.162 1.00 61.20 H new ATOM 0 HH TYR A 68 -3.497 0.585 -6.914 1.00 52.10 H new ATOM 940 N LEU A 69 3.601 2.037 -1.581 1.00 74.50 N ATOM 941 CA LEU A 69 4.499 2.130 -0.435 1.00 31.20 C ATOM 942 C LEU A 69 5.619 3.131 -0.701 1.00 0.13 C ATOM 943 O LEU A 69 5.924 3.975 0.141 1.00 64.10 O ATOM 944 CB LEU A 69 5.092 0.757 -0.112 1.00 72.30 C ATOM 945 CG LEU A 69 4.204 -0.146 0.743 1.00 12.00 C ATOM 946 CD1 LEU A 69 4.754 -1.564 0.771 1.00 22.40 C ATOM 947 CD2 LEU A 69 4.085 0.407 2.155 1.00 15.20 C ATOM 0 H LEU A 69 3.657 1.155 -2.090 1.00 74.50 H new ATOM 0 HA LEU A 69 3.921 2.478 0.421 1.00 31.20 H new ATOM 0 HB2 LEU A 69 5.312 0.244 -1.048 1.00 72.30 H new ATOM 0 HB3 LEU A 69 6.042 0.900 0.403 1.00 72.30 H new ATOM 0 HG LEU A 69 3.209 -0.172 0.298 1.00 12.00 H new ATOM 0 HD11 LEU A 69 4.109 -2.193 1.385 1.00 22.40 H new ATOM 0 HD12 LEU A 69 4.789 -1.961 -0.244 1.00 22.40 H new ATOM 0 HD13 LEU A 69 5.759 -1.556 1.192 1.00 22.40 H new ATOM 0 HD21 LEU A 69 3.449 -0.248 2.750 1.00 15.20 H new ATOM 0 HD22 LEU A 69 5.075 0.462 2.609 1.00 15.20 H new ATOM 0 HD23 LEU A 69 3.646 1.404 2.119 1.00 15.20 H new ATOM 959 N ASP A 70 6.226 3.032 -1.879 1.00 3.31 N ATOM 960 CA ASP A 70 7.312 3.929 -2.256 1.00 33.20 C ATOM 961 C ASP A 70 6.841 5.380 -2.267 1.00 62.30 C ATOM 962 O ASP A 70 7.568 6.282 -1.853 1.00 63.40 O ATOM 963 CB ASP A 70 7.861 3.548 -3.632 1.00 71.10 C ATOM 964 CG ASP A 70 8.963 2.511 -3.549 1.00 10.30 C ATOM 965 OD1 ASP A 70 8.661 1.350 -3.202 1.00 14.10 O ATOM 966 OD2 ASP A 70 10.130 2.859 -3.831 1.00 2.21 O ATOM 0 H ASP A 70 5.984 2.340 -2.588 1.00 3.31 H new ATOM 0 HA ASP A 70 8.106 3.830 -1.515 1.00 33.20 H new ATOM 0 HB2 ASP A 70 7.050 3.163 -4.250 1.00 71.10 H new ATOM 0 HB3 ASP A 70 8.243 4.441 -4.127 1.00 71.10 H new ATOM 971 N ARG A 71 5.619 5.595 -2.743 1.00 74.10 N ATOM 972 CA ARG A 71 5.051 6.936 -2.807 1.00 64.00 C ATOM 973 C ARG A 71 4.835 7.504 -1.408 1.00 63.30 C ATOM 974 O ARG A 71 5.039 8.695 -1.172 1.00 64.20 O ATOM 975 CB ARG A 71 3.725 6.915 -3.571 1.00 41.10 C ATOM 976 CG ARG A 71 3.397 8.231 -4.257 1.00 11.10 C ATOM 977 CD ARG A 71 2.670 8.008 -5.573 1.00 62.30 C ATOM 978 NE ARG A 71 2.765 9.168 -6.455 1.00 63.30 N ATOM 979 CZ ARG A 71 2.513 9.129 -7.762 1.00 15.30 C ATOM 980 NH1 ARG A 71 2.151 7.992 -8.342 1.00 2.43 N ATOM 981 NH2 ARG A 71 2.621 10.231 -8.487 1.00 1.01 N ATOM 0 H ARG A 71 5.004 4.859 -3.090 1.00 74.10 H new ATOM 0 HA ARG A 71 5.757 7.577 -3.335 1.00 64.00 H new ATOM 0 HB2 ARG A 71 3.759 6.123 -4.319 1.00 41.10 H new ATOM 0 HB3 ARG A 71 2.921 6.665 -2.879 1.00 41.10 H new ATOM 0 HG2 ARG A 71 2.780 8.842 -3.598 1.00 11.10 H new ATOM 0 HG3 ARG A 71 4.317 8.787 -4.438 1.00 11.10 H new ATOM 0 HD2 ARG A 71 3.089 7.136 -6.075 1.00 62.30 H new ATOM 0 HD3 ARG A 71 1.621 7.788 -5.375 1.00 62.30 H new ATOM 0 HE ARG A 71 3.041 10.061 -6.046 1.00 63.30 H new ATOM 0 HH11 ARG A 71 2.064 7.141 -7.786 1.00 2.43 H new ATOM 0 HH12 ARG A 71 1.959 7.969 -9.344 1.00 2.43 H new ATOM 0 HH21 ARG A 71 2.897 11.108 -8.044 1.00 1.01 H new ATOM 0 HH22 ARG A 71 2.429 10.204 -9.488 1.00 1.01 H new ATOM 995 N ALA A 72 4.423 6.642 -0.483 1.00 64.30 N ATOM 996 CA ALA A 72 4.181 7.058 0.893 1.00 3.02 C ATOM 997 C ALA A 72 5.446 7.623 1.527 1.00 51.40 C ATOM 998 O ALA A 72 5.423 8.691 2.138 1.00 55.20 O ATOM 999 CB ALA A 72 3.654 5.888 1.711 1.00 35.40 C ATOM 0 H ALA A 72 4.250 5.653 -0.662 1.00 64.30 H new ATOM 0 HA ALA A 72 3.430 7.848 0.882 1.00 3.02 H new ATOM 0 HB1 ALA A 72 3.477 6.212 2.737 1.00 35.40 H new ATOM 0 HB2 ALA A 72 2.720 5.532 1.277 1.00 35.40 H new ATOM 0 HB3 ALA A 72 4.387 5.081 1.706 1.00 35.40 H new ATOM 1005 N GLU A 73 6.551 6.899 1.377 1.00 54.30 N ATOM 1006 CA GLU A 73 7.827 7.329 1.936 1.00 73.20 C ATOM 1007 C GLU A 73 8.249 8.676 1.357 1.00 72.10 C ATOM 1008 O GLU A 73 8.838 9.504 2.052 1.00 71.50 O ATOM 1009 CB GLU A 73 8.908 6.282 1.658 1.00 50.10 C ATOM 1010 CG GLU A 73 8.736 5.003 2.460 1.00 1.34 C ATOM 1011 CD GLU A 73 10.058 4.418 2.916 1.00 12.10 C ATOM 1012 OE1 GLU A 73 10.987 5.203 3.204 1.00 2.23 O ATOM 1013 OE2 GLU A 73 10.166 3.176 2.984 1.00 45.10 O ATOM 0 H GLU A 73 6.588 6.013 0.873 1.00 54.30 H new ATOM 0 HA GLU A 73 7.704 7.439 3.013 1.00 73.20 H new ATOM 0 HB2 GLU A 73 8.902 6.038 0.596 1.00 50.10 H new ATOM 0 HB3 GLU A 73 9.885 6.712 1.881 1.00 50.10 H new ATOM 0 HG2 GLU A 73 8.113 5.206 3.331 1.00 1.34 H new ATOM 0 HG3 GLU A 73 8.207 4.267 1.854 1.00 1.34 H new ATOM 1020 N LYS A 74 7.942 8.888 0.082 1.00 35.40 N ATOM 1021 CA LYS A 74 8.289 10.136 -0.590 1.00 1.13 C ATOM 1022 C LYS A 74 7.393 11.276 -0.117 1.00 11.10 C ATOM 1023 O LYS A 74 7.859 12.393 0.104 1.00 74.10 O ATOM 1024 CB LYS A 74 8.169 9.973 -2.106 1.00 51.20 C ATOM 1025 CG LYS A 74 9.220 10.747 -2.887 1.00 22.20 C ATOM 1026 CD LYS A 74 10.405 9.867 -3.247 1.00 43.40 C ATOM 1027 CE LYS A 74 11.713 10.640 -3.175 1.00 72.20 C ATOM 1028 NZ LYS A 74 12.817 9.924 -3.866 1.00 23.20 N ATOM 0 H LYS A 74 7.454 8.213 -0.507 1.00 35.40 H new ATOM 0 HA LYS A 74 9.321 10.381 -0.338 1.00 1.13 H new ATOM 0 HB2 LYS A 74 8.248 8.915 -2.357 1.00 51.20 H new ATOM 0 HB3 LYS A 74 7.179 10.302 -2.421 1.00 51.20 H new ATOM 0 HG2 LYS A 74 8.775 11.150 -3.797 1.00 22.20 H new ATOM 0 HG3 LYS A 74 9.562 11.596 -2.296 1.00 22.20 H new ATOM 0 HD2 LYS A 74 10.447 9.015 -2.569 1.00 43.40 H new ATOM 0 HD3 LYS A 74 10.271 9.468 -4.252 1.00 43.40 H new ATOM 0 HE2 LYS A 74 11.579 11.623 -3.626 1.00 72.20 H new ATOM 0 HE3 LYS A 74 11.982 10.802 -2.131 1.00 72.20 H new ATOM 0 HZ1 LYS A 74 13.691 10.483 -3.795 1.00 23.20 H new ATOM 0 HZ2 LYS A 74 12.962 8.996 -3.420 1.00 23.20 H new ATOM 0 HZ3 LYS A 74 12.571 9.792 -4.868 1.00 23.20 H new ATOM 1042 N LEU A 75 6.105 10.986 0.035 1.00 45.40 N ATOM 1043 CA LEU A 75 5.144 11.987 0.482 1.00 34.30 C ATOM 1044 C LEU A 75 5.397 12.374 1.936 1.00 65.00 C ATOM 1045 O LEU A 75 5.361 13.553 2.290 1.00 44.40 O ATOM 1046 CB LEU A 75 3.716 11.460 0.324 1.00 45.10 C ATOM 1047 CG LEU A 75 3.265 11.236 -1.120 1.00 33.50 C ATOM 1048 CD1 LEU A 75 1.958 10.460 -1.156 1.00 55.40 C ATOM 1049 CD2 LEU A 75 3.116 12.567 -1.843 1.00 62.40 C ATOM 0 H LEU A 75 5.703 10.066 -0.145 1.00 45.40 H new ATOM 0 HA LEU A 75 5.267 12.875 -0.138 1.00 34.30 H new ATOM 0 HB2 LEU A 75 3.631 10.518 0.866 1.00 45.10 H new ATOM 0 HB3 LEU A 75 3.031 12.163 0.798 1.00 45.10 H new ATOM 0 HG LEU A 75 4.027 10.649 -1.632 1.00 33.50 H new ATOM 0 HD11 LEU A 75 1.652 10.310 -2.191 1.00 55.40 H new ATOM 0 HD12 LEU A 75 2.096 9.492 -0.675 1.00 55.40 H new ATOM 0 HD13 LEU A 75 1.187 11.021 -0.628 1.00 55.40 H new ATOM 0 HD21 LEU A 75 2.795 12.390 -2.869 1.00 62.40 H new ATOM 0 HD22 LEU A 75 2.373 13.178 -1.331 1.00 62.40 H new ATOM 0 HD23 LEU A 75 4.074 13.088 -1.848 1.00 62.40 H new ATOM 1061 N LYS A 76 5.653 11.375 2.773 1.00 60.40 N ATOM 1062 CA LYS A 76 5.914 11.611 4.188 1.00 73.20 C ATOM 1063 C LYS A 76 7.136 12.504 4.374 1.00 34.00 C ATOM 1064 O LYS A 76 7.171 13.346 5.272 1.00 45.00 O ATOM 1065 CB LYS A 76 6.123 10.284 4.918 1.00 43.40 C ATOM 1066 CG LYS A 76 4.837 9.672 5.450 1.00 24.40 C ATOM 1067 CD LYS A 76 4.621 10.016 6.915 1.00 72.20 C ATOM 1068 CE LYS A 76 3.734 11.241 7.074 1.00 25.20 C ATOM 1069 NZ LYS A 76 2.313 10.870 7.315 1.00 21.10 N ATOM 0 H LYS A 76 5.685 10.394 2.496 1.00 60.40 H new ATOM 0 HA LYS A 76 5.047 12.118 4.612 1.00 73.20 H new ATOM 0 HB2 LYS A 76 6.598 9.576 4.239 1.00 43.40 H new ATOM 0 HB3 LYS A 76 6.812 10.440 5.748 1.00 43.40 H new ATOM 0 HG2 LYS A 76 3.992 10.031 4.862 1.00 24.40 H new ATOM 0 HG3 LYS A 76 4.872 8.589 5.331 1.00 24.40 H new ATOM 0 HD2 LYS A 76 4.166 9.167 7.426 1.00 72.20 H new ATOM 0 HD3 LYS A 76 5.584 10.198 7.393 1.00 72.20 H new ATOM 0 HE2 LYS A 76 4.097 11.847 7.904 1.00 25.20 H new ATOM 0 HE3 LYS A 76 3.801 11.857 6.177 1.00 25.20 H new ATOM 0 HZ1 LYS A 76 1.695 11.653 7.021 1.00 21.10 H new ATOM 0 HZ2 LYS A 76 2.079 10.019 6.766 1.00 21.10 H new ATOM 0 HZ3 LYS A 76 2.171 10.679 8.327 1.00 21.10 H new ATOM 1083 N GLU A 77 8.134 12.319 3.518 1.00 62.00 N ATOM 1084 CA GLU A 77 9.357 13.110 3.584 1.00 3.40 C ATOM 1085 C GLU A 77 9.118 14.516 3.047 1.00 72.10 C ATOM 1086 O GLU A 77 9.389 15.507 3.726 1.00 61.10 O ATOM 1087 CB GLU A 77 10.475 12.431 2.792 1.00 72.20 C ATOM 1088 CG GLU A 77 11.122 11.268 3.528 1.00 65.10 C ATOM 1089 CD GLU A 77 12.362 11.683 4.295 1.00 72.10 C ATOM 1090 OE1 GLU A 77 12.258 12.595 5.142 1.00 51.20 O ATOM 1091 OE2 GLU A 77 13.436 11.096 4.050 1.00 35.30 O ATOM 0 H GLU A 77 8.120 11.627 2.769 1.00 62.00 H new ATOM 0 HA GLU A 77 9.659 13.183 4.629 1.00 3.40 H new ATOM 0 HB2 GLU A 77 10.072 12.072 1.845 1.00 72.20 H new ATOM 0 HB3 GLU A 77 11.240 13.170 2.553 1.00 72.20 H new ATOM 0 HG2 GLU A 77 10.400 10.833 4.219 1.00 65.10 H new ATOM 0 HG3 GLU A 77 11.386 10.490 2.811 1.00 65.10 H new ATOM 1098 N TYR A 78 8.608 14.593 1.824 1.00 1.34 N ATOM 1099 CA TYR A 78 8.325 15.875 1.190 1.00 14.20 C ATOM 1100 C TYR A 78 7.311 16.669 2.011 1.00 52.40 C ATOM 1101 O TYR A 78 7.349 17.899 2.042 1.00 62.10 O ATOM 1102 CB TYR A 78 7.813 15.647 -0.241 1.00 63.20 C ATOM 1103 CG TYR A 78 6.809 16.675 -0.718 1.00 71.10 C ATOM 1104 CD1 TYR A 78 5.471 16.585 -0.354 1.00 1.23 C ATOM 1105 CD2 TYR A 78 7.198 17.732 -1.531 1.00 0.22 C ATOM 1106 CE1 TYR A 78 4.549 17.520 -0.786 1.00 61.40 C ATOM 1107 CE2 TYR A 78 6.284 18.672 -1.967 1.00 31.40 C ATOM 1108 CZ TYR A 78 4.960 18.561 -1.592 1.00 70.10 C ATOM 1109 OH TYR A 78 4.046 19.493 -2.025 1.00 73.10 O ATOM 0 H TYR A 78 8.381 13.781 1.250 1.00 1.34 H new ATOM 0 HA TYR A 78 9.245 16.457 1.143 1.00 14.20 H new ATOM 0 HB2 TYR A 78 8.664 15.645 -0.922 1.00 63.20 H new ATOM 0 HB3 TYR A 78 7.357 14.659 -0.297 1.00 63.20 H new ATOM 0 HD1 TYR A 78 5.146 15.771 0.277 1.00 1.23 H new ATOM 0 HD2 TYR A 78 8.233 17.821 -1.827 1.00 0.22 H new ATOM 0 HE1 TYR A 78 3.513 17.436 -0.494 1.00 61.40 H new ATOM 0 HE2 TYR A 78 6.603 19.489 -2.597 1.00 31.40 H new ATOM 0 HH TYR A 78 4.498 20.160 -2.583 1.00 73.10 H new ATOM 1119 N LEU A 79 6.406 15.956 2.674 1.00 34.10 N ATOM 1120 CA LEU A 79 5.383 16.594 3.494 1.00 34.30 C ATOM 1121 C LEU A 79 6.009 17.310 4.687 1.00 63.10 C ATOM 1122 O LEU A 79 5.652 18.446 4.998 1.00 34.40 O ATOM 1123 CB LEU A 79 4.370 15.556 3.982 1.00 31.50 C ATOM 1124 CG LEU A 79 3.248 15.232 2.995 1.00 14.30 C ATOM 1125 CD1 LEU A 79 2.633 13.877 3.312 1.00 23.30 C ATOM 1126 CD2 LEU A 79 2.186 16.321 3.023 1.00 65.30 C ATOM 0 H LEU A 79 6.360 14.937 2.659 1.00 34.10 H new ATOM 0 HA LEU A 79 4.869 17.333 2.879 1.00 34.30 H new ATOM 0 HB2 LEU A 79 4.902 14.635 4.219 1.00 31.50 H new ATOM 0 HB3 LEU A 79 3.924 15.914 4.910 1.00 31.50 H new ATOM 0 HG LEU A 79 3.672 15.189 1.992 1.00 14.30 H new ATOM 0 HD11 LEU A 79 1.836 13.663 2.599 1.00 23.30 H new ATOM 0 HD12 LEU A 79 3.399 13.105 3.242 1.00 23.30 H new ATOM 0 HD13 LEU A 79 2.222 13.891 4.322 1.00 23.30 H new ATOM 0 HD21 LEU A 79 1.394 16.076 2.315 1.00 65.30 H new ATOM 0 HD22 LEU A 79 1.766 16.394 4.026 1.00 65.30 H new ATOM 0 HD23 LEU A 79 2.636 17.275 2.748 1.00 65.30 H new ATOM 1138 N LYS A 80 6.944 16.638 5.350 1.00 33.10 N ATOM 1139 CA LYS A 80 7.621 17.210 6.508 1.00 70.20 C ATOM 1140 C LYS A 80 8.725 18.168 6.075 1.00 21.50 C ATOM 1141 O LYS A 80 8.815 19.291 6.571 1.00 53.20 O ATOM 1142 CB LYS A 80 8.207 16.098 7.382 1.00 15.30 C ATOM 1143 CG LYS A 80 7.163 15.336 8.180 1.00 72.50 C ATOM 1144 CD LYS A 80 7.050 15.865 9.599 1.00 54.00 C ATOM 1145 CE LYS A 80 6.715 14.756 10.583 1.00 62.20 C ATOM 1146 NZ LYS A 80 6.926 15.181 11.995 1.00 31.00 N ATOM 0 H LYS A 80 7.250 15.696 5.105 1.00 33.10 H new ATOM 0 HA LYS A 80 6.887 17.770 7.087 1.00 70.20 H new ATOM 0 HB2 LYS A 80 8.750 15.397 6.748 1.00 15.30 H new ATOM 0 HB3 LYS A 80 8.932 16.533 8.070 1.00 15.30 H new ATOM 0 HG2 LYS A 80 6.196 15.414 7.684 1.00 72.50 H new ATOM 0 HG3 LYS A 80 7.424 14.278 8.205 1.00 72.50 H new ATOM 0 HD2 LYS A 80 7.989 16.338 9.888 1.00 54.00 H new ATOM 0 HD3 LYS A 80 6.279 16.635 9.641 1.00 54.00 H new ATOM 0 HE2 LYS A 80 5.677 14.452 10.447 1.00 62.20 H new ATOM 0 HE3 LYS A 80 7.333 13.884 10.371 1.00 62.20 H new ATOM 0 HZ1 LYS A 80 6.686 14.396 12.633 1.00 31.00 H new ATOM 0 HZ2 LYS A 80 7.922 15.447 12.132 1.00 31.00 H new ATOM 0 HZ3 LYS A 80 6.317 15.997 12.206 1.00 31.00 H new ATOM 1160 N ASN A 81 9.563 17.717 5.147 1.00 4.31 N ATOM 1161 CA ASN A 81 10.661 18.535 4.647 1.00 4.14 C ATOM 1162 C ASN A 81 10.135 19.748 3.885 1.00 1.01 C ATOM 1163 O ASN A 81 10.169 20.871 4.388 1.00 70.40 O ATOM 1164 CB ASN A 81 11.572 17.705 3.740 1.00 31.20 C ATOM 1165 CG ASN A 81 12.438 16.737 4.521 1.00 44.50 C ATOM 1166 OD1 ASN A 81 11.997 16.149 5.510 1.00 1.34 O ATOM 1167 ND2 ASN A 81 13.679 16.567 4.082 1.00 14.10 N ATOM 0 H ASN A 81 9.502 16.790 4.726 1.00 4.31 H new ATOM 0 HA ASN A 81 11.236 18.888 5.503 1.00 4.14 H new ATOM 0 HB2 ASN A 81 10.962 17.149 3.028 1.00 31.20 H new ATOM 0 HB3 ASN A 81 12.210 18.373 3.161 1.00 31.20 H new ATOM 0 HD21 ASN A 81 14.309 15.929 4.568 1.00 14.10 H new ATOM 0 HD22 ASN A 81 14.003 17.074 3.259 1.00 14.10 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.989 -10.885 -1.477 1.00 22.40 N ATOM 1176 CA ASP B 116 7.798 -10.524 -0.717 1.00 22.20 C ATOM 1177 C ASP B 116 8.176 -9.882 0.614 1.00 73.20 C ATOM 1178 O ASP B 116 7.455 -9.034 1.132 1.00 22.50 O ATOM 1179 CB ASP B 116 6.933 -11.764 -0.472 1.00 53.40 C ATOM 1180 CG ASP B 116 5.551 -11.408 0.043 1.00 34.10 C ATOM 1181 OD1 ASP B 116 5.378 -10.279 0.547 1.00 1.12 O ATOM 1182 OD2 ASP B 116 4.638 -12.252 -0.060 1.00 52.30 O ATOM 0 HA ASP B 116 7.229 -9.799 -1.299 1.00 22.20 H new ATOM 0 HB2 ASP B 116 6.839 -12.328 -1.400 1.00 53.40 H new ATOM 0 HB3 ASP B 116 7.430 -12.415 0.247 1.00 53.40 H new ATOM 1187 N GLU B 117 9.313 -10.295 1.163 1.00 72.40 N ATOM 1188 CA GLU B 117 9.789 -9.762 2.433 1.00 63.40 C ATOM 1189 C GLU B 117 10.005 -8.255 2.342 1.00 2.33 C ATOM 1190 O GLU B 117 9.752 -7.523 3.298 1.00 1.31 O ATOM 1191 CB GLU B 117 11.089 -10.448 2.847 1.00 41.40 C ATOM 1192 CG GLU B 117 11.213 -10.660 4.347 1.00 22.00 C ATOM 1193 CD GLU B 117 10.820 -12.066 4.772 1.00 43.00 C ATOM 1194 OE1 GLU B 117 9.713 -12.506 4.394 1.00 62.30 O ATOM 1195 OE2 GLU B 117 11.614 -12.716 5.481 1.00 63.50 O ATOM 0 H GLU B 117 9.923 -10.999 0.747 1.00 72.40 H new ATOM 0 HA GLU B 117 9.028 -9.960 3.187 1.00 63.40 H new ATOM 0 HB2 GLU B 117 11.157 -11.413 2.345 1.00 41.40 H new ATOM 0 HB3 GLU B 117 11.932 -9.849 2.502 1.00 41.40 H new ATOM 0 HG2 GLU B 117 12.240 -10.465 4.654 1.00 22.00 H new ATOM 0 HG3 GLU B 117 10.583 -9.938 4.866 1.00 22.00 H new ATOM 1202 N GLU B 118 10.472 -7.795 1.185 1.00 71.10 N ATOM 1203 CA GLU B 118 10.725 -6.380 0.968 1.00 52.20 C ATOM 1204 C GLU B 118 9.436 -5.566 1.126 1.00 44.10 C ATOM 1205 O GLU B 118 9.414 -4.561 1.829 1.00 5.11 O ATOM 1206 CB GLU B 118 11.311 -6.144 -0.424 1.00 21.10 C ATOM 1207 CG GLU B 118 12.832 -6.205 -0.456 1.00 24.10 C ATOM 1208 CD GLU B 118 13.360 -7.622 -0.457 1.00 50.20 C ATOM 1209 OE1 GLU B 118 13.434 -8.234 0.633 1.00 44.20 O ATOM 1210 OE2 GLU B 118 13.706 -8.128 -1.546 1.00 65.20 O ATOM 0 H GLU B 118 10.683 -8.387 0.382 1.00 71.10 H new ATOM 0 HA GLU B 118 11.445 -6.052 1.718 1.00 52.20 H new ATOM 0 HB2 GLU B 118 10.910 -6.890 -1.111 1.00 21.10 H new ATOM 0 HB3 GLU B 118 10.986 -5.169 -0.787 1.00 21.10 H new ATOM 0 HG2 GLU B 118 13.194 -5.686 -1.344 1.00 24.10 H new ATOM 0 HG3 GLU B 118 13.231 -5.674 0.408 1.00 24.10 H new ATOM 1217 N ILE B 119 8.373 -6.021 0.473 1.00 24.10 N ATOM 1218 CA ILE B 119 7.088 -5.347 0.543 1.00 33.30 C ATOM 1219 C ILE B 119 6.484 -5.462 1.939 1.00 2.34 C ATOM 1220 O ILE B 119 5.977 -4.486 2.489 1.00 75.20 O ATOM 1221 CB ILE B 119 6.094 -5.919 -0.487 1.00 73.20 C ATOM 1222 CG1 ILE B 119 6.728 -5.950 -1.879 1.00 32.30 C ATOM 1223 CG2 ILE B 119 4.813 -5.099 -0.501 1.00 20.30 C ATOM 1224 CD1 ILE B 119 5.807 -6.488 -2.952 1.00 33.10 C ATOM 0 H ILE B 119 8.379 -6.857 -0.112 1.00 24.10 H new ATOM 0 HA ILE B 119 7.268 -4.297 0.314 1.00 33.30 H new ATOM 0 HB ILE B 119 5.845 -6.940 -0.199 1.00 73.20 H new ATOM 0 HG12 ILE B 119 7.038 -4.941 -2.150 1.00 32.30 H new ATOM 0 HG13 ILE B 119 7.629 -6.562 -1.845 1.00 32.30 H new ATOM 0 HG21 ILE B 119 4.122 -5.516 -1.234 1.00 20.30 H new ATOM 0 HG22 ILE B 119 4.354 -5.125 0.487 1.00 20.30 H new ATOM 0 HG23 ILE B 119 5.044 -4.067 -0.767 1.00 20.30 H new ATOM 0 HD11 ILE B 119 6.323 -6.481 -3.912 1.00 33.10 H new ATOM 0 HD12 ILE B 119 5.517 -7.509 -2.704 1.00 33.10 H new ATOM 0 HD13 ILE B 119 4.916 -5.863 -3.014 1.00 33.10 H new ATOM 1236 N GLU B 120 6.539 -6.658 2.505 1.00 31.40 N ATOM 1237 CA GLU B 120 6.000 -6.903 3.837 1.00 14.40 C ATOM 1238 C GLU B 120 6.730 -6.066 4.881 1.00 53.30 C ATOM 1239 O GLU B 120 6.110 -5.499 5.780 1.00 3.41 O ATOM 1240 CB GLU B 120 6.111 -8.390 4.193 1.00 31.00 C ATOM 1241 CG GLU B 120 5.496 -8.740 5.538 1.00 5.21 C ATOM 1242 CD GLU B 120 6.520 -8.784 6.652 1.00 53.20 C ATOM 1243 OE1 GLU B 120 7.312 -9.752 6.689 1.00 0.33 O ATOM 1244 OE2 GLU B 120 6.535 -7.858 7.489 1.00 52.20 O ATOM 0 H GLU B 120 6.953 -7.478 2.062 1.00 31.40 H new ATOM 0 HA GLU B 120 4.949 -6.615 3.833 1.00 14.40 H new ATOM 0 HB2 GLU B 120 5.624 -8.979 3.416 1.00 31.00 H new ATOM 0 HB3 GLU B 120 7.163 -8.677 4.198 1.00 31.00 H new ATOM 0 HG2 GLU B 120 4.728 -8.007 5.784 1.00 5.21 H new ATOM 0 HG3 GLU B 120 5.001 -9.708 5.466 1.00 5.21 H new ATOM 1251 N ARG B 121 8.047 -5.984 4.754 1.00 12.50 N ATOM 1252 CA ARG B 121 8.862 -5.215 5.686 1.00 70.50 C ATOM 1253 C ARG B 121 8.481 -3.743 5.649 1.00 63.40 C ATOM 1254 O ARG B 121 8.432 -3.078 6.684 1.00 45.30 O ATOM 1255 CB ARG B 121 10.348 -5.377 5.354 1.00 53.20 C ATOM 1256 CG ARG B 121 11.274 -4.974 6.489 1.00 2.22 C ATOM 1257 CD ARG B 121 12.555 -4.344 5.967 1.00 72.10 C ATOM 1258 NE ARG B 121 13.303 -3.667 7.024 1.00 10.10 N ATOM 1259 CZ ARG B 121 12.898 -2.546 7.622 1.00 21.40 C ATOM 1260 NH1 ARG B 121 11.757 -1.981 7.271 1.00 63.30 N ATOM 1261 NH2 ARG B 121 13.640 -1.998 8.574 1.00 73.30 N ATOM 0 H ARG B 121 8.576 -6.442 4.012 1.00 12.50 H new ATOM 0 HA ARG B 121 8.679 -5.596 6.690 1.00 70.50 H new ATOM 0 HB2 ARG B 121 10.541 -6.417 5.091 1.00 53.20 H new ATOM 0 HB3 ARG B 121 10.582 -4.777 4.475 1.00 53.20 H new ATOM 0 HG2 ARG B 121 10.762 -4.270 7.145 1.00 2.22 H new ATOM 0 HG3 ARG B 121 11.517 -5.850 7.090 1.00 2.22 H new ATOM 0 HD2 ARG B 121 13.181 -5.115 5.517 1.00 72.10 H new ATOM 0 HD3 ARG B 121 12.313 -3.630 5.180 1.00 72.10 H new ATOM 0 HE ARG B 121 14.188 -4.077 7.322 1.00 10.10 H new ATOM 0 HH11 ARG B 121 11.183 -2.402 6.541 1.00 63.30 H new ATOM 0 HH12 ARG B 121 11.450 -1.124 7.730 1.00 63.30 H new ATOM 0 HH21 ARG B 121 14.520 -2.434 8.849 1.00 73.30 H new ATOM 0 HH22 ARG B 121 13.331 -1.141 9.032 1.00 73.30 H new ATOM 1275 N GLN B 122 8.210 -3.238 4.451 1.00 3.31 N ATOM 1276 CA GLN B 122 7.829 -1.840 4.278 1.00 20.10 C ATOM 1277 C GLN B 122 6.554 -1.526 5.053 1.00 54.30 C ATOM 1278 O GLN B 122 6.419 -0.450 5.635 1.00 13.40 O ATOM 1279 CB GLN B 122 7.630 -1.523 2.795 1.00 52.30 C ATOM 1280 CG GLN B 122 8.845 -1.836 1.937 1.00 41.20 C ATOM 1281 CD GLN B 122 9.561 -0.586 1.463 1.00 43.10 C ATOM 1282 OE1 GLN B 122 10.780 -0.469 1.592 1.00 24.40 O ATOM 1283 NE2 GLN B 122 8.806 0.354 0.909 1.00 34.40 N ATOM 0 H GLN B 122 8.247 -3.775 3.585 1.00 3.31 H new ATOM 0 HA GLN B 122 8.634 -1.218 4.669 1.00 20.10 H new ATOM 0 HB2 GLN B 122 6.777 -2.090 2.422 1.00 52.30 H new ATOM 0 HB3 GLN B 122 7.382 -0.467 2.688 1.00 52.30 H new ATOM 0 HG2 GLN B 122 9.539 -2.454 2.507 1.00 41.20 H new ATOM 0 HG3 GLN B 122 8.534 -2.422 1.072 1.00 41.20 H new ATOM 0 HE21 GLN B 122 7.799 0.214 0.823 1.00 34.40 H new ATOM 0 HE22 GLN B 122 9.232 1.216 0.570 1.00 34.40 H new ATOM 1292 N LEU B 123 5.622 -2.472 5.056 1.00 33.40 N ATOM 1293 CA LEU B 123 4.356 -2.296 5.760 1.00 42.00 C ATOM 1294 C LEU B 123 4.589 -2.075 7.251 1.00 14.20 C ATOM 1295 O LEU B 123 4.101 -1.104 7.829 1.00 4.34 O ATOM 1296 CB LEU B 123 3.455 -3.516 5.543 1.00 33.10 C ATOM 1297 CG LEU B 123 2.074 -3.204 4.963 1.00 51.20 C ATOM 1298 CD1 LEU B 123 1.331 -2.221 5.854 1.00 23.20 C ATOM 1299 CD2 LEU B 123 2.202 -2.656 3.550 1.00 64.40 C ATOM 0 H LEU B 123 5.718 -3.369 4.579 1.00 33.40 H new ATOM 0 HA LEU B 123 3.861 -1.413 5.356 1.00 42.00 H new ATOM 0 HB2 LEU B 123 3.964 -4.211 4.876 1.00 33.10 H new ATOM 0 HB3 LEU B 123 3.325 -4.027 6.497 1.00 33.10 H new ATOM 0 HG LEU B 123 1.500 -4.130 4.921 1.00 51.20 H new ATOM 0 HD11 LEU B 123 0.351 -2.011 5.426 1.00 23.20 H new ATOM 0 HD12 LEU B 123 1.208 -2.652 6.848 1.00 23.20 H new ATOM 0 HD13 LEU B 123 1.901 -1.295 5.928 1.00 23.20 H new ATOM 0 HD21 LEU B 123 1.210 -2.439 3.153 1.00 64.40 H new ATOM 0 HD22 LEU B 123 2.794 -1.741 3.567 1.00 64.40 H new ATOM 0 HD23 LEU B 123 2.693 -3.394 2.917 1.00 64.40 H new ATOM 1311 N LYS B 124 5.339 -2.982 7.869 1.00 22.10 N ATOM 1312 CA LYS B 124 5.638 -2.886 9.293 1.00 73.10 C ATOM 1313 C LYS B 124 6.433 -1.621 9.598 1.00 25.50 C ATOM 1314 O LYS B 124 6.309 -1.044 10.678 1.00 52.10 O ATOM 1315 CB LYS B 124 6.420 -4.117 9.756 1.00 24.40 C ATOM 1316 CG LYS B 124 6.651 -4.161 11.257 1.00 73.20 C ATOM 1317 CD LYS B 124 7.990 -3.548 11.632 1.00 61.10 C ATOM 1318 CE LYS B 124 9.071 -4.597 11.743 1.00 2.21 C ATOM 1319 NZ LYS B 124 8.996 -5.347 13.031 1.00 14.00 N ATOM 0 H LYS B 124 5.751 -3.792 7.406 1.00 22.10 H new ATOM 0 HA LYS B 124 4.693 -2.839 9.834 1.00 73.10 H new ATOM 0 HB2 LYS B 124 5.881 -5.015 9.453 1.00 24.40 H new ATOM 0 HB3 LYS B 124 7.384 -4.137 9.248 1.00 24.40 H new ATOM 0 HG2 LYS B 124 5.849 -3.626 11.766 1.00 73.20 H new ATOM 0 HG3 LYS B 124 6.613 -5.194 11.602 1.00 73.20 H new ATOM 0 HD2 LYS B 124 8.275 -2.809 10.883 1.00 61.10 H new ATOM 0 HD3 LYS B 124 7.896 -3.020 12.581 1.00 61.10 H new ATOM 0 HE2 LYS B 124 8.984 -5.296 10.911 1.00 2.21 H new ATOM 0 HE3 LYS B 124 10.048 -4.121 11.658 1.00 2.21 H new ATOM 0 HZ1 LYS B 124 9.756 -6.056 13.065 1.00 14.00 H new ATOM 0 HZ2 LYS B 124 9.105 -4.685 13.825 1.00 14.00 H new ATOM 0 HZ3 LYS B 124 8.074 -5.824 13.102 1.00 14.00 H new ATOM 1333 N ALA B 125 7.248 -1.193 8.639 1.00 20.30 N ATOM 1334 CA ALA B 125 8.063 0.004 8.806 1.00 44.20 C ATOM 1335 C ALA B 125 7.190 1.242 8.981 1.00 23.40 C ATOM 1336 O ALA B 125 7.323 1.972 9.963 1.00 23.30 O ATOM 1337 CB ALA B 125 8.995 0.177 7.616 1.00 75.30 C ATOM 0 H ALA B 125 7.361 -1.658 7.738 1.00 20.30 H new ATOM 0 HA ALA B 125 8.662 -0.117 9.709 1.00 44.20 H new ATOM 0 HB1 ALA B 125 9.598 1.075 7.754 1.00 75.30 H new ATOM 0 HB2 ALA B 125 9.649 -0.691 7.537 1.00 75.30 H new ATOM 0 HB3 ALA B 125 8.406 0.272 6.704 1.00 75.30 H new ATOM 1343 N LEU B 126 6.298 1.471 8.023 1.00 1.50 N ATOM 1344 CA LEU B 126 5.403 2.622 8.072 1.00 50.30 C ATOM 1345 C LEU B 126 4.430 2.504 9.239 1.00 34.00 C ATOM 1346 O LEU B 126 4.021 3.507 9.824 1.00 50.10 O ATOM 1347 CB LEU B 126 4.630 2.750 6.758 1.00 53.50 C ATOM 1348 CG LEU B 126 5.471 3.165 5.550 1.00 41.50 C ATOM 1349 CD1 LEU B 126 4.922 2.540 4.277 1.00 65.30 C ATOM 1350 CD2 LEU B 126 5.513 4.680 5.426 1.00 53.00 C ATOM 0 H LEU B 126 6.175 0.876 7.204 1.00 1.50 H new ATOM 0 HA LEU B 126 6.009 3.516 8.217 1.00 50.30 H new ATOM 0 HB2 LEU B 126 4.155 1.794 6.539 1.00 53.50 H new ATOM 0 HB3 LEU B 126 3.831 3.479 6.893 1.00 53.50 H new ATOM 0 HG LEU B 126 6.489 2.803 5.698 1.00 41.50 H new ATOM 0 HD11 LEU B 126 5.533 2.847 3.428 1.00 65.30 H new ATOM 0 HD12 LEU B 126 4.944 1.454 4.366 1.00 65.30 H new ATOM 0 HD13 LEU B 126 3.895 2.871 4.123 1.00 65.30 H new ATOM 0 HD21 LEU B 126 6.116 4.958 4.561 1.00 53.00 H new ATOM 0 HD22 LEU B 126 4.500 5.063 5.301 1.00 53.00 H new ATOM 0 HD23 LEU B 126 5.953 5.107 6.327 1.00 53.00 H new ATOM 1362 N GLY B 127 4.061 1.271 9.574 1.00 63.40 N ATOM 1363 CA GLY B 127 3.138 1.045 10.671 1.00 20.50 C ATOM 1364 C GLY B 127 3.837 0.983 12.014 1.00 54.20 C ATOM 1365 O GLY B 127 3.807 -0.045 12.690 1.00 24.20 O ATOM 0 H GLY B 127 4.385 0.425 9.105 1.00 63.40 H new ATOM 0 HA2 GLY B 127 2.396 1.843 10.688 1.00 20.50 H new ATOM 0 HA3 GLY B 127 2.599 0.113 10.502 1.00 20.50 H new ATOM 1369 N VAL B 128 4.469 2.086 12.402 1.00 63.30 N ATOM 1370 CA VAL B 128 5.179 2.153 13.673 1.00 42.30 C ATOM 1371 C VAL B 128 4.812 3.419 14.441 1.00 43.40 C ATOM 1372 O VAL B 128 4.007 4.226 13.979 1.00 45.40 O ATOM 1373 CB VAL B 128 6.705 2.116 13.467 1.00 33.40 C ATOM 1374 CG1 VAL B 128 7.134 0.776 12.890 1.00 10.20 C ATOM 1375 CG2 VAL B 128 7.150 3.261 12.569 1.00 5.31 C ATOM 0 H VAL B 128 4.504 2.946 11.854 1.00 63.30 H new ATOM 0 HA VAL B 128 4.877 1.279 14.251 1.00 42.30 H new ATOM 0 HB VAL B 128 7.188 2.237 14.437 1.00 33.40 H new ATOM 0 HG11 VAL B 128 8.215 0.769 12.751 1.00 10.20 H new ATOM 0 HG12 VAL B 128 6.851 -0.023 13.575 1.00 10.20 H new ATOM 0 HG13 VAL B 128 6.644 0.620 11.929 1.00 10.20 H new ATOM 0 HG21 VAL B 128 8.231 3.219 12.435 1.00 5.31 H new ATOM 0 HG22 VAL B 128 6.660 3.174 11.599 1.00 5.31 H new ATOM 0 HG23 VAL B 128 6.878 4.211 13.029 1.00 5.31 H new ATOM 1385 N ASP B 129 5.408 3.584 15.617 1.00 41.10 N ATOM 1386 CA ASP B 129 5.144 4.752 16.450 1.00 42.20 C ATOM 1387 C ASP B 129 5.980 5.944 15.996 1.00 20.10 C ATOM 1388 O ASP B 129 6.669 5.824 14.962 1.00 70.40 O ATOM 1389 CB ASP B 129 5.441 4.434 17.917 1.00 35.40 C ATOM 1390 CG ASP B 129 4.653 5.314 18.869 1.00 71.20 C ATOM 1391 OD1 ASP B 129 4.283 6.438 18.470 1.00 44.20 O ATOM 1392 OD2 ASP B 129 4.407 4.878 20.014 1.00 75.30 O ATOM 1393 OXT ASP B 129 5.938 6.989 16.680 1.00 37.70 O ATOM 0 H ASP B 129 6.077 2.924 16.015 1.00 41.10 H new ATOM 0 HA ASP B 129 4.090 5.011 16.347 1.00 42.20 H new ATOM 0 HB2 ASP B 129 5.206 3.388 18.114 1.00 35.40 H new ATOM 0 HB3 ASP B 129 6.507 4.562 18.105 1.00 35.40 H new TER 1398 ASP B 129