USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 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 1 HIS : no HD1:sc= -1.28 K(o=-1.3,f=0.11) USER MOD Single : A 1 HIS N :NH3+ -115:sc= -0.183 (180deg=-1.47) USER MOD Single : A 2 MET CE :methyl 167:sc= 0 (180deg=-0.217) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.131 (180deg=-0.544) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 32:sc= 0.898 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 160:sc= -0.0542 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.57 X(o=-1.6,f=-2) USER MOD Single : A 64 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-5.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 7:sc= 0.466 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 159:sc= -0.0454 (180deg=-0.364) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 160:sc= -0.0783 (180deg=-0.379) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.546 -0.530 1.665 1.00 63.41 N ATOM 2 CA HIS A 1 1.448 -0.347 0.221 1.00 12.33 C ATOM 3 C HIS A 1 2.371 -1.314 -0.514 1.00 11.14 C ATOM 4 O HIS A 1 3.128 -0.914 -1.398 1.00 14.33 O ATOM 5 CB HIS A 1 1.795 1.094 -0.156 1.00 31.24 C ATOM 6 CG HIS A 1 0.743 2.085 0.235 1.00 13.43 C ATOM 7 ND1 HIS A 1 0.395 3.164 -0.551 1.00 25.40 N ATOM 8 CD2 HIS A 1 -0.041 2.156 1.336 1.00 14.53 C ATOM 9 CE1 HIS A 1 -0.555 3.856 0.050 1.00 14.14 C ATOM 10 NE2 HIS A 1 -0.839 3.266 1.197 1.00 21.33 N ATOM 0 H1 HIS A 1 0.636 -0.873 2.034 1.00 63.41 H new ATOM 0 H2 HIS A 1 2.290 -1.225 1.877 1.00 63.41 H new ATOM 0 H3 HIS A 1 1.782 0.378 2.115 1.00 63.41 H new ATOM 0 HA HIS A 1 0.421 -0.556 -0.078 1.00 12.33 H new ATOM 0 HB2 HIS A 1 2.736 1.369 0.320 1.00 31.24 H new ATOM 0 HB3 HIS A 1 1.954 1.151 -1.233 1.00 31.24 H new ATOM 0 HD2 HIS A 1 -0.040 1.468 2.169 1.00 14.53 H new ATOM 0 HE1 HIS A 1 -1.021 4.753 -0.332 1.00 14.14 H new ATOM 0 HE2 HIS A 1 -1.537 3.583 1.870 1.00 21.33 H new ATOM 18 N MET A 2 2.303 -2.588 -0.141 1.00 1.21 N ATOM 19 CA MET A 2 3.133 -3.612 -0.765 1.00 53.45 C ATOM 20 C MET A 2 2.279 -4.589 -1.567 1.00 32.34 C ATOM 21 O MET A 2 1.050 -4.513 -1.550 1.00 23.13 O ATOM 22 CB MET A 2 3.933 -4.367 0.297 1.00 65.44 C ATOM 23 CG MET A 2 5.163 -3.616 0.780 1.00 44.14 C ATOM 24 SD MET A 2 5.619 -4.043 2.471 1.00 71.40 S ATOM 25 CE MET A 2 5.710 -5.828 2.356 1.00 24.41 C ATOM 0 H MET A 2 1.682 -2.936 0.590 1.00 1.21 H new ATOM 0 HA MET A 2 3.825 -3.118 -1.447 1.00 53.45 H new ATOM 0 HB2 MET A 2 3.286 -4.573 1.149 1.00 65.44 H new ATOM 0 HB3 MET A 2 4.242 -5.330 -0.109 1.00 65.44 H new ATOM 0 HG2 MET A 2 6.000 -3.833 0.116 1.00 44.14 H new ATOM 0 HG3 MET A 2 4.977 -2.544 0.718 1.00 44.14 H new ATOM 0 HE1 MET A 2 6.200 -6.225 3.245 1.00 24.41 H new ATOM 0 HE2 MET A 2 4.703 -6.240 2.282 1.00 24.41 H new ATOM 0 HE3 MET A 2 6.282 -6.107 1.471 1.00 24.41 H new ATOM 35 N SER A 3 2.937 -5.507 -2.267 1.00 44.23 N ATOM 36 CA SER A 3 2.238 -6.497 -3.078 1.00 42.11 C ATOM 37 C SER A 3 2.744 -7.904 -2.774 1.00 2.44 C ATOM 38 O SER A 3 3.896 -8.090 -2.379 1.00 31.14 O ATOM 39 CB SER A 3 2.419 -6.189 -4.566 1.00 11.53 C ATOM 40 OG SER A 3 3.734 -6.497 -4.994 1.00 50.33 O ATOM 0 H SER A 3 3.954 -5.586 -2.289 1.00 44.23 H new ATOM 0 HA SER A 3 1.178 -6.449 -2.830 1.00 42.11 H new ATOM 0 HB2 SER A 3 1.699 -6.763 -5.150 1.00 11.53 H new ATOM 0 HB3 SER A 3 2.211 -5.135 -4.750 1.00 11.53 H new ATOM 0 HG SER A 3 3.824 -6.293 -5.948 1.00 50.33 H new ATOM 46 N LEU A 4 1.875 -8.891 -2.960 1.00 63.01 N ATOM 47 CA LEU A 4 2.232 -10.282 -2.706 1.00 23.51 C ATOM 48 C LEU A 4 1.697 -11.192 -3.807 1.00 41.13 C ATOM 49 O LEU A 4 0.683 -10.892 -4.438 1.00 51.40 O ATOM 50 CB LEU A 4 1.686 -10.730 -1.349 1.00 30.01 C ATOM 51 CG LEU A 4 1.877 -9.749 -0.192 1.00 14.41 C ATOM 52 CD1 LEU A 4 1.100 -10.209 1.032 1.00 22.20 C ATOM 53 CD2 LEU A 4 3.354 -9.594 0.138 1.00 11.04 C ATOM 0 H LEU A 4 0.918 -8.754 -3.286 1.00 63.01 H new ATOM 0 HA LEU A 4 3.319 -10.355 -2.696 1.00 23.51 H new ATOM 0 HB2 LEU A 4 0.620 -10.930 -1.457 1.00 30.01 H new ATOM 0 HB3 LEU A 4 2.162 -11.673 -1.082 1.00 30.01 H new ATOM 0 HG LEU A 4 1.490 -8.777 -0.498 1.00 14.41 H new ATOM 0 HD11 LEU A 4 1.248 -9.498 1.845 1.00 22.20 H new ATOM 0 HD12 LEU A 4 0.039 -10.266 0.789 1.00 22.20 H new ATOM 0 HD13 LEU A 4 1.455 -11.192 1.340 1.00 22.20 H new ATOM 0 HD21 LEU A 4 3.471 -8.892 0.964 1.00 11.04 H new ATOM 0 HD22 LEU A 4 3.767 -10.562 0.423 1.00 11.04 H new ATOM 0 HD23 LEU A 4 3.885 -9.217 -0.736 1.00 11.04 H new ATOM 65 N THR A 5 2.385 -12.307 -4.033 1.00 35.30 N ATOM 66 CA THR A 5 1.978 -13.261 -5.057 1.00 24.50 C ATOM 67 C THR A 5 0.999 -14.286 -4.496 1.00 62.31 C ATOM 68 O THR A 5 1.265 -14.920 -3.475 1.00 23.02 O ATOM 69 CB THR A 5 3.193 -14.000 -5.650 1.00 40.12 C ATOM 70 OG1 THR A 5 4.286 -13.967 -4.726 1.00 32.25 O ATOM 71 CG2 THR A 5 3.618 -13.370 -6.968 1.00 63.42 C ATOM 0 H THR A 5 3.226 -12.571 -3.521 1.00 35.30 H new ATOM 0 HA THR A 5 1.489 -12.689 -5.845 1.00 24.50 H new ATOM 0 HB THR A 5 2.906 -15.035 -5.835 1.00 40.12 H new ATOM 0 HG1 THR A 5 5.053 -14.440 -5.110 1.00 32.25 H new ATOM 0 HG21 THR A 5 4.477 -13.908 -7.368 1.00 63.42 H new ATOM 0 HG22 THR A 5 2.794 -13.423 -7.679 1.00 63.42 H new ATOM 0 HG23 THR A 5 3.888 -12.327 -6.802 1.00 63.42 H new ATOM 79 N VAL A 6 -0.135 -14.445 -5.171 1.00 32.23 N ATOM 80 CA VAL A 6 -1.154 -15.395 -4.740 1.00 60.34 C ATOM 81 C VAL A 6 -1.213 -16.598 -5.675 1.00 31.53 C ATOM 82 O VAL A 6 -1.722 -16.507 -6.792 1.00 43.22 O ATOM 83 CB VAL A 6 -2.545 -14.737 -4.680 1.00 33.21 C ATOM 84 CG1 VAL A 6 -3.598 -15.752 -4.262 1.00 74.11 C ATOM 85 CG2 VAL A 6 -2.531 -13.549 -3.730 1.00 34.10 C ATOM 0 H VAL A 6 -0.371 -13.928 -6.018 1.00 32.23 H new ATOM 0 HA VAL A 6 -0.875 -15.728 -3.740 1.00 60.34 H new ATOM 0 HB VAL A 6 -2.800 -14.374 -5.676 1.00 33.21 H new ATOM 0 HG11 VAL A 6 -4.574 -15.269 -4.225 1.00 74.11 H new ATOM 0 HG12 VAL A 6 -3.624 -16.568 -4.984 1.00 74.11 H new ATOM 0 HG13 VAL A 6 -3.351 -16.147 -3.277 1.00 74.11 H new ATOM 0 HG21 VAL A 6 -3.522 -13.096 -3.700 1.00 34.10 H new ATOM 0 HG22 VAL A 6 -2.255 -13.886 -2.731 1.00 34.10 H new ATOM 0 HG23 VAL A 6 -1.806 -12.813 -4.078 1.00 34.10 H new ATOM 95 N LYS A 7 -0.690 -17.728 -5.210 1.00 1.13 N ATOM 96 CA LYS A 7 -0.684 -18.952 -6.002 1.00 1.11 C ATOM 97 C LYS A 7 -1.934 -19.782 -5.729 1.00 61.55 C ATOM 98 O LYS A 7 -2.055 -20.413 -4.680 1.00 23.41 O ATOM 99 CB LYS A 7 0.567 -19.778 -5.693 1.00 42.50 C ATOM 100 CG LYS A 7 1.815 -19.279 -6.401 1.00 1.33 C ATOM 101 CD LYS A 7 3.022 -20.145 -6.081 1.00 34.41 C ATOM 102 CE LYS A 7 2.897 -21.526 -6.706 1.00 62.40 C ATOM 103 NZ LYS A 7 2.704 -21.452 -8.181 1.00 31.42 N ATOM 0 H LYS A 7 -0.264 -17.821 -4.288 1.00 1.13 H new ATOM 0 HA LYS A 7 -0.677 -18.673 -7.056 1.00 1.11 H new ATOM 0 HB2 LYS A 7 0.742 -19.769 -4.617 1.00 42.50 H new ATOM 0 HB3 LYS A 7 0.387 -20.815 -5.978 1.00 42.50 H new ATOM 0 HG2 LYS A 7 1.646 -19.273 -7.478 1.00 1.33 H new ATOM 0 HG3 LYS A 7 2.016 -18.250 -6.104 1.00 1.33 H new ATOM 0 HD2 LYS A 7 3.927 -19.659 -6.446 1.00 34.41 H new ATOM 0 HD3 LYS A 7 3.126 -20.241 -5.000 1.00 34.41 H new ATOM 0 HE2 LYS A 7 3.793 -22.107 -6.486 1.00 62.40 H new ATOM 0 HE3 LYS A 7 2.056 -22.054 -6.256 1.00 62.40 H new ATOM 0 HZ1 LYS A 7 2.941 -22.370 -8.609 1.00 31.42 H new ATOM 0 HZ2 LYS A 7 1.712 -21.219 -8.390 1.00 31.42 H new ATOM 0 HZ3 LYS A 7 3.323 -20.716 -8.576 1.00 31.42 H new ATOM 117 N ALA A 8 -2.861 -19.779 -6.682 1.00 44.41 N ATOM 118 CA ALA A 8 -4.099 -20.534 -6.546 1.00 35.42 C ATOM 119 C ALA A 8 -3.948 -21.943 -7.110 1.00 51.13 C ATOM 120 O ALA A 8 -3.313 -22.142 -8.146 1.00 52.03 O ATOM 121 CB ALA A 8 -5.241 -19.806 -7.239 1.00 13.22 C ATOM 0 H ALA A 8 -2.777 -19.261 -7.557 1.00 44.41 H new ATOM 0 HA ALA A 8 -4.328 -20.619 -5.484 1.00 35.42 H new ATOM 0 HB1 ALA A 8 -6.160 -20.382 -7.129 1.00 13.22 H new ATOM 0 HB2 ALA A 8 -5.373 -18.823 -6.787 1.00 13.22 H new ATOM 0 HB3 ALA A 8 -5.010 -19.691 -8.298 1.00 13.22 H new ATOM 127 N TYR A 9 -4.534 -22.917 -6.423 1.00 12.31 N ATOM 128 CA TYR A 9 -4.462 -24.308 -6.854 1.00 44.45 C ATOM 129 C TYR A 9 -5.850 -24.850 -7.180 1.00 62.11 C ATOM 130 O TYR A 9 -6.696 -24.996 -6.297 1.00 3.44 O ATOM 131 CB TYR A 9 -3.807 -25.166 -5.771 1.00 35.33 C ATOM 132 CG TYR A 9 -2.382 -24.768 -5.461 1.00 60.42 C ATOM 133 CD1 TYR A 9 -1.345 -25.099 -6.325 1.00 23.45 C ATOM 134 CD2 TYR A 9 -2.072 -24.063 -4.305 1.00 51.43 C ATOM 135 CE1 TYR A 9 -0.041 -24.739 -6.046 1.00 4.43 C ATOM 136 CE2 TYR A 9 -0.771 -23.696 -4.019 1.00 72.41 C ATOM 137 CZ TYR A 9 0.241 -24.037 -4.892 1.00 50.11 C ATOM 138 OH TYR A 9 1.538 -23.675 -4.610 1.00 23.22 O ATOM 0 H TYR A 9 -5.065 -22.769 -5.565 1.00 12.31 H new ATOM 0 HA TYR A 9 -3.855 -24.351 -7.758 1.00 44.45 H new ATOM 0 HB2 TYR A 9 -4.400 -25.100 -4.859 1.00 35.33 H new ATOM 0 HB3 TYR A 9 -3.823 -26.209 -6.087 1.00 35.33 H new ATOM 0 HD1 TYR A 9 -1.562 -25.647 -7.230 1.00 23.45 H new ATOM 0 HD2 TYR A 9 -2.862 -23.797 -3.618 1.00 51.43 H new ATOM 0 HE1 TYR A 9 0.753 -25.005 -6.727 1.00 4.43 H new ATOM 0 HE2 TYR A 9 -0.548 -23.145 -3.117 1.00 72.41 H new ATOM 0 HH TYR A 9 1.564 -23.186 -3.761 1.00 23.22 H new ATOM 148 N LEU A 10 -6.077 -25.148 -8.454 1.00 70.54 N ATOM 149 CA LEU A 10 -7.362 -25.676 -8.899 1.00 72.33 C ATOM 150 C LEU A 10 -7.425 -27.188 -8.710 1.00 21.51 C ATOM 151 O LEU A 10 -6.454 -27.899 -8.975 1.00 12.00 O ATOM 152 CB LEU A 10 -7.599 -25.325 -10.369 1.00 51.30 C ATOM 153 CG LEU A 10 -8.767 -26.038 -11.050 1.00 75.30 C ATOM 154 CD1 LEU A 10 -10.040 -25.879 -10.232 1.00 41.05 C ATOM 155 CD2 LEU A 10 -8.968 -25.506 -12.461 1.00 40.04 C ATOM 0 H LEU A 10 -5.388 -25.033 -9.197 1.00 70.54 H new ATOM 0 HA LEU A 10 -8.144 -25.219 -8.292 1.00 72.33 H new ATOM 0 HB2 LEU A 10 -7.763 -24.250 -10.443 1.00 51.30 H new ATOM 0 HB3 LEU A 10 -6.689 -25.548 -10.926 1.00 51.30 H new ATOM 0 HG LEU A 10 -8.531 -27.100 -11.114 1.00 75.30 H new ATOM 0 HD11 LEU A 10 -10.861 -26.393 -10.732 1.00 41.05 H new ATOM 0 HD12 LEU A 10 -9.892 -26.310 -9.242 1.00 41.05 H new ATOM 0 HD13 LEU A 10 -10.280 -24.820 -10.135 1.00 41.05 H new ATOM 0 HD21 LEU A 10 -9.804 -26.025 -12.930 1.00 40.04 H new ATOM 0 HD22 LEU A 10 -9.181 -24.438 -12.420 1.00 40.04 H new ATOM 0 HD23 LEU A 10 -8.063 -25.673 -13.045 1.00 40.04 H new ATOM 167 N LEU A 11 -8.573 -27.675 -8.252 1.00 0.02 N ATOM 168 CA LEU A 11 -8.764 -29.104 -8.029 1.00 1.00 C ATOM 169 C LEU A 11 -9.946 -29.628 -8.838 1.00 60.10 C ATOM 170 O LEU A 11 -11.037 -29.061 -8.800 1.00 72.34 O ATOM 171 CB LEU A 11 -8.985 -29.383 -6.541 1.00 75.14 C ATOM 172 CG LEU A 11 -8.150 -28.548 -5.570 1.00 74.11 C ATOM 173 CD1 LEU A 11 -8.442 -28.951 -4.133 1.00 2.01 C ATOM 174 CD2 LEU A 11 -6.667 -28.697 -5.877 1.00 74.15 C ATOM 0 H LEU A 11 -9.386 -27.101 -8.028 1.00 0.02 H new ATOM 0 HA LEU A 11 -7.864 -29.622 -8.359 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -10.039 -29.221 -6.314 1.00 75.14 H new ATOM 0 HB3 LEU A 11 -8.777 -30.437 -6.355 1.00 75.14 H new ATOM 0 HG LEU A 11 -8.422 -27.500 -5.695 1.00 74.11 H new ATOM 0 HD11 LEU A 11 -7.839 -28.346 -3.456 1.00 2.01 H new ATOM 0 HD12 LEU A 11 -9.499 -28.792 -3.918 1.00 2.01 H new ATOM 0 HD13 LEU A 11 -8.198 -30.004 -3.994 1.00 2.01 H new ATOM 0 HD21 LEU A 11 -6.088 -28.096 -5.176 1.00 74.15 H new ATOM 0 HD22 LEU A 11 -6.379 -29.744 -5.781 1.00 74.15 H new ATOM 0 HD23 LEU A 11 -6.470 -28.358 -6.894 1.00 74.15 H new ATOM 186 N GLY A 12 -9.721 -30.716 -9.568 1.00 61.33 N ATOM 187 CA GLY A 12 -10.777 -31.300 -10.374 1.00 70.24 C ATOM 188 C GLY A 12 -11.513 -32.410 -9.650 1.00 50.12 C ATOM 189 O GLY A 12 -12.133 -32.180 -8.612 1.00 12.42 O ATOM 0 H GLY A 12 -8.826 -31.203 -9.616 1.00 61.33 H new ATOM 0 HA2 GLY A 12 -11.486 -30.522 -10.657 1.00 70.24 H new ATOM 0 HA3 GLY A 12 -10.350 -31.693 -11.297 1.00 70.24 H new ATOM 193 N LYS A 13 -11.447 -33.618 -10.199 1.00 62.11 N ATOM 194 CA LYS A 13 -12.112 -34.769 -9.600 1.00 11.22 C ATOM 195 C LYS A 13 -11.132 -35.594 -8.772 1.00 42.12 C ATOM 196 O LYS A 13 -11.514 -36.218 -7.783 1.00 25.11 O ATOM 197 CB LYS A 13 -12.741 -35.644 -10.687 1.00 3.42 C ATOM 198 CG LYS A 13 -13.411 -36.896 -10.148 1.00 1.40 C ATOM 199 CD LYS A 13 -12.446 -38.068 -10.100 1.00 63.21 C ATOM 200 CE LYS A 13 -13.170 -39.394 -10.281 1.00 4.42 C ATOM 201 NZ LYS A 13 -12.222 -40.542 -10.323 1.00 12.22 N ATOM 0 H LYS A 13 -10.939 -33.825 -11.059 1.00 62.11 H new ATOM 0 HA LYS A 13 -12.897 -34.400 -8.940 1.00 11.22 H new ATOM 0 HB2 LYS A 13 -13.477 -35.055 -11.235 1.00 3.42 H new ATOM 0 HB3 LYS A 13 -11.969 -35.933 -11.400 1.00 3.42 H new ATOM 0 HG2 LYS A 13 -13.798 -36.701 -9.148 1.00 1.40 H new ATOM 0 HG3 LYS A 13 -14.265 -37.152 -10.776 1.00 1.40 H new ATOM 0 HD2 LYS A 13 -11.694 -37.953 -10.880 1.00 63.21 H new ATOM 0 HD3 LYS A 13 -11.918 -38.067 -9.146 1.00 63.21 H new ATOM 0 HE2 LYS A 13 -13.877 -39.536 -9.464 1.00 4.42 H new ATOM 0 HE3 LYS A 13 -13.750 -39.368 -11.203 1.00 4.42 H new ATOM 0 HZ1 LYS A 13 -12.754 -41.427 -10.447 1.00 12.22 H new ATOM 0 HZ2 LYS A 13 -11.563 -40.419 -11.118 1.00 12.22 H new ATOM 0 HZ3 LYS A 13 -11.686 -40.582 -9.433 1.00 12.22 H new ATOM 215 N GLU A 14 -9.868 -35.590 -9.184 1.00 24.55 N ATOM 216 CA GLU A 14 -8.834 -36.339 -8.478 1.00 44.24 C ATOM 217 C GLU A 14 -8.116 -35.452 -7.465 1.00 21.12 C ATOM 218 O GLU A 14 -7.050 -35.806 -6.961 1.00 53.42 O ATOM 219 CB GLU A 14 -7.824 -36.917 -9.472 1.00 42.32 C ATOM 220 CG GLU A 14 -8.436 -37.889 -10.467 1.00 14.35 C ATOM 221 CD GLU A 14 -7.417 -38.445 -11.442 1.00 32.43 C ATOM 222 OE1 GLU A 14 -6.296 -37.899 -11.503 1.00 23.33 O ATOM 223 OE2 GLU A 14 -7.741 -39.426 -12.144 1.00 22.15 O ATOM 0 H GLU A 14 -9.536 -35.078 -10.001 1.00 24.55 H new ATOM 0 HA GLU A 14 -9.315 -37.157 -7.942 1.00 44.24 H new ATOM 0 HB2 GLU A 14 -7.355 -36.098 -10.018 1.00 42.32 H new ATOM 0 HB3 GLU A 14 -7.034 -37.425 -8.920 1.00 42.32 H new ATOM 0 HG2 GLU A 14 -8.902 -38.712 -9.925 1.00 14.35 H new ATOM 0 HG3 GLU A 14 -9.227 -37.385 -11.022 1.00 14.35 H new ATOM 230 N GLU A 15 -8.708 -34.299 -7.172 1.00 54.30 N ATOM 231 CA GLU A 15 -8.125 -33.361 -6.220 1.00 2.00 C ATOM 232 C GLU A 15 -6.669 -33.066 -6.570 1.00 11.32 C ATOM 233 O GLU A 15 -5.835 -32.871 -5.687 1.00 2.34 O ATOM 234 CB GLU A 15 -8.216 -33.920 -4.799 1.00 1.05 C ATOM 235 CG GLU A 15 -9.578 -34.502 -4.460 1.00 22.34 C ATOM 236 CD GLU A 15 -9.645 -35.044 -3.045 1.00 12.53 C ATOM 237 OE1 GLU A 15 -8.596 -35.474 -2.523 1.00 4.11 O ATOM 238 OE2 GLU A 15 -10.748 -35.036 -2.459 1.00 74.34 O ATOM 0 H GLU A 15 -9.591 -33.992 -7.580 1.00 54.30 H new ATOM 0 HA GLU A 15 -8.690 -32.430 -6.273 1.00 2.00 H new ATOM 0 HB2 GLU A 15 -7.458 -34.693 -4.673 1.00 1.05 H new ATOM 0 HB3 GLU A 15 -7.983 -33.126 -4.090 1.00 1.05 H new ATOM 0 HG2 GLU A 15 -10.340 -33.733 -4.587 1.00 22.34 H new ATOM 0 HG3 GLU A 15 -9.813 -35.301 -5.163 1.00 22.34 H new ATOM 245 N ALA A 16 -6.372 -33.035 -7.865 1.00 34.31 N ATOM 246 CA ALA A 16 -5.019 -32.763 -8.332 1.00 40.33 C ATOM 247 C ALA A 16 -4.939 -31.405 -9.022 1.00 74.12 C ATOM 248 O ALA A 16 -5.917 -30.935 -9.602 1.00 54.05 O ATOM 249 CB ALA A 16 -4.554 -33.864 -9.274 1.00 52.43 C ATOM 0 H ALA A 16 -7.051 -33.195 -8.609 1.00 34.31 H new ATOM 0 HA ALA A 16 -4.360 -32.740 -7.464 1.00 40.33 H new ATOM 0 HB1 ALA A 16 -3.542 -33.648 -9.615 1.00 52.43 H new ATOM 0 HB2 ALA A 16 -4.564 -34.820 -8.750 1.00 52.43 H new ATOM 0 HB3 ALA A 16 -5.223 -33.915 -10.133 1.00 52.43 H new ATOM 255 N ALA A 17 -3.769 -30.780 -8.954 1.00 43.30 N ATOM 256 CA ALA A 17 -3.562 -29.477 -9.573 1.00 43.53 C ATOM 257 C ALA A 17 -3.872 -29.522 -11.066 1.00 32.34 C ATOM 258 O ALA A 17 -3.114 -30.093 -11.850 1.00 2.13 O ATOM 259 CB ALA A 17 -2.134 -29.004 -9.344 1.00 2.15 C ATOM 0 H ALA A 17 -2.950 -31.155 -8.476 1.00 43.30 H new ATOM 0 HA ALA A 17 -4.247 -28.769 -9.107 1.00 43.53 H new ATOM 0 HB1 ALA A 17 -1.994 -28.030 -9.812 1.00 2.15 H new ATOM 0 HB2 ALA A 17 -1.945 -28.923 -8.274 1.00 2.15 H new ATOM 0 HB3 ALA A 17 -1.439 -29.720 -9.782 1.00 2.15 H new ATOM 265 N ARG A 18 -4.992 -28.919 -11.451 1.00 44.41 N ATOM 266 CA ARG A 18 -5.403 -28.892 -12.850 1.00 21.54 C ATOM 267 C ARG A 18 -4.865 -27.649 -13.551 1.00 52.23 C ATOM 268 O ARG A 18 -4.475 -27.703 -14.717 1.00 55.42 O ATOM 269 CB ARG A 18 -6.929 -28.931 -12.955 1.00 64.34 C ATOM 270 CG ARG A 18 -7.521 -30.310 -12.715 1.00 21.24 C ATOM 271 CD ARG A 18 -8.869 -30.465 -13.401 1.00 63.35 C ATOM 272 NE ARG A 18 -8.732 -30.607 -14.849 1.00 14.43 N ATOM 273 CZ ARG A 18 -9.748 -30.492 -15.697 1.00 71.31 C ATOM 274 NH1 ARG A 18 -10.968 -30.236 -15.245 1.00 41.23 N ATOM 275 NH2 ARG A 18 -9.544 -30.634 -17.001 1.00 35.14 N ATOM 0 H ARG A 18 -5.631 -28.443 -10.814 1.00 44.41 H new ATOM 0 HA ARG A 18 -4.989 -29.772 -13.342 1.00 21.54 H new ATOM 0 HB2 ARG A 18 -7.352 -28.233 -12.233 1.00 64.34 H new ATOM 0 HB3 ARG A 18 -7.226 -28.585 -13.945 1.00 64.34 H new ATOM 0 HG2 ARG A 18 -6.834 -31.071 -13.084 1.00 21.24 H new ATOM 0 HG3 ARG A 18 -7.635 -30.477 -11.644 1.00 21.24 H new ATOM 0 HD2 ARG A 18 -9.383 -31.338 -12.998 1.00 63.35 H new ATOM 0 HD3 ARG A 18 -9.491 -29.598 -13.179 1.00 63.35 H new ATOM 0 HE ARG A 18 -7.806 -30.805 -15.229 1.00 14.43 H new ATOM 0 HH11 ARG A 18 -11.128 -30.127 -14.244 1.00 41.23 H new ATOM 0 HH12 ARG A 18 -11.746 -30.148 -15.899 1.00 41.23 H new ATOM 0 HH21 ARG A 18 -8.607 -30.831 -17.352 1.00 35.14 H new ATOM 0 HH22 ARG A 18 -10.324 -30.546 -17.652 1.00 35.14 H new ATOM 289 N GLU A 19 -4.848 -26.531 -12.833 1.00 13.45 N ATOM 290 CA GLU A 19 -4.360 -25.274 -13.388 1.00 3.14 C ATOM 291 C GLU A 19 -3.549 -24.501 -12.352 1.00 4.52 C ATOM 292 O GLU A 19 -3.727 -24.681 -11.147 1.00 74.40 O ATOM 293 CB GLU A 19 -5.530 -24.418 -13.878 1.00 24.22 C ATOM 294 CG GLU A 19 -5.126 -23.355 -14.886 1.00 61.50 C ATOM 295 CD GLU A 19 -4.687 -23.946 -16.212 1.00 21.01 C ATOM 296 OE1 GLU A 19 -4.885 -25.163 -16.413 1.00 50.44 O ATOM 297 OE2 GLU A 19 -4.145 -23.193 -17.047 1.00 53.54 O ATOM 0 H GLU A 19 -5.166 -26.470 -11.866 1.00 13.45 H new ATOM 0 HA GLU A 19 -3.711 -25.507 -14.233 1.00 3.14 H new ATOM 0 HB2 GLU A 19 -6.281 -25.067 -14.329 1.00 24.22 H new ATOM 0 HB3 GLU A 19 -5.999 -23.935 -13.021 1.00 24.22 H new ATOM 0 HG2 GLU A 19 -5.966 -22.680 -15.053 1.00 61.50 H new ATOM 0 HG3 GLU A 19 -4.314 -22.757 -14.472 1.00 61.50 H new ATOM 304 N ILE A 20 -2.657 -23.639 -12.830 1.00 61.42 N ATOM 305 CA ILE A 20 -1.819 -22.838 -11.947 1.00 21.44 C ATOM 306 C ILE A 20 -1.555 -21.459 -12.540 1.00 55.33 C ATOM 307 O ILE A 20 -1.279 -21.327 -13.733 1.00 34.32 O ATOM 308 CB ILE A 20 -0.472 -23.531 -11.668 1.00 44.20 C ATOM 309 CG1 ILE A 20 -0.699 -24.977 -11.222 1.00 50.33 C ATOM 310 CG2 ILE A 20 0.311 -22.762 -10.613 1.00 74.43 C ATOM 311 CD1 ILE A 20 0.583 -25.745 -10.985 1.00 55.51 C ATOM 0 H ILE A 20 -2.496 -23.478 -13.824 1.00 61.42 H new ATOM 0 HA ILE A 20 -2.364 -22.729 -11.009 1.00 21.44 H new ATOM 0 HB ILE A 20 0.111 -23.543 -12.589 1.00 44.20 H new ATOM 0 HG12 ILE A 20 -1.288 -24.978 -10.305 1.00 50.33 H new ATOM 0 HG13 ILE A 20 -1.288 -25.494 -11.980 1.00 50.33 H new ATOM 0 HG21 ILE A 20 1.260 -23.264 -10.427 1.00 74.43 H new ATOM 0 HG22 ILE A 20 0.500 -21.748 -10.967 1.00 74.43 H new ATOM 0 HG23 ILE A 20 -0.266 -22.722 -9.689 1.00 74.43 H new ATOM 0 HD11 ILE A 20 0.345 -26.762 -10.671 1.00 55.51 H new ATOM 0 HD12 ILE A 20 1.164 -25.776 -11.907 1.00 55.51 H new ATOM 0 HD13 ILE A 20 1.164 -25.251 -10.206 1.00 55.51 H new ATOM 323 N ARG A 21 -1.641 -20.433 -11.700 1.00 10.22 N ATOM 324 CA ARG A 21 -1.411 -19.062 -12.141 1.00 73.41 C ATOM 325 C ARG A 21 -1.475 -18.094 -10.964 1.00 33.14 C ATOM 326 O ARG A 21 -2.475 -18.038 -10.247 1.00 23.22 O ATOM 327 CB ARG A 21 -2.443 -18.665 -13.199 1.00 3.03 C ATOM 328 CG ARG A 21 -1.927 -17.643 -14.199 1.00 22.22 C ATOM 329 CD ARG A 21 -2.806 -17.584 -15.438 1.00 42.22 C ATOM 330 NE ARG A 21 -2.455 -16.462 -16.305 1.00 1.01 N ATOM 331 CZ ARG A 21 -1.352 -16.422 -17.045 1.00 14.11 C ATOM 332 NH1 ARG A 21 -0.499 -17.436 -17.024 1.00 4.01 N ATOM 333 NH2 ARG A 21 -1.103 -15.366 -17.809 1.00 5.25 N ATOM 0 H ARG A 21 -1.868 -20.525 -10.710 1.00 10.22 H new ATOM 0 HA ARG A 21 -0.414 -19.010 -12.578 1.00 73.41 H new ATOM 0 HB2 ARG A 21 -2.762 -19.558 -13.737 1.00 3.03 H new ATOM 0 HB3 ARG A 21 -3.324 -18.261 -12.701 1.00 3.03 H new ATOM 0 HG2 ARG A 21 -1.891 -16.660 -13.730 1.00 22.22 H new ATOM 0 HG3 ARG A 21 -0.907 -17.897 -14.487 1.00 22.22 H new ATOM 0 HD2 ARG A 21 -2.711 -18.516 -15.995 1.00 42.22 H new ATOM 0 HD3 ARG A 21 -3.850 -17.497 -15.138 1.00 42.22 H new ATOM 0 HE ARG A 21 -3.091 -15.666 -16.345 1.00 1.01 H new ATOM 0 HH11 ARG A 21 -0.688 -18.250 -16.439 1.00 4.01 H new ATOM 0 HH12 ARG A 21 0.347 -17.403 -17.593 1.00 4.01 H new ATOM 0 HH21 ARG A 21 -1.758 -14.585 -17.828 1.00 5.25 H new ATOM 0 HH22 ARG A 21 -0.256 -15.336 -18.377 1.00 5.25 H new ATOM 347 N ARG A 22 -0.402 -17.334 -10.770 1.00 55.13 N ATOM 348 CA ARG A 22 -0.336 -16.369 -9.679 1.00 71.40 C ATOM 349 C ARG A 22 -0.424 -14.941 -10.210 1.00 20.44 C ATOM 350 O ARG A 22 -0.082 -14.674 -11.362 1.00 11.23 O ATOM 351 CB ARG A 22 0.960 -16.552 -8.887 1.00 11.31 C ATOM 352 CG ARG A 22 2.210 -16.533 -9.751 1.00 51.55 C ATOM 353 CD ARG A 22 2.669 -17.940 -10.098 1.00 61.12 C ATOM 354 NE ARG A 22 3.364 -17.989 -11.382 1.00 3.54 N ATOM 355 CZ ARG A 22 3.520 -19.100 -12.091 1.00 63.44 C ATOM 356 NH1 ARG A 22 3.032 -20.250 -11.645 1.00 45.42 N ATOM 357 NH2 ARG A 22 4.165 -19.064 -13.251 1.00 0.04 N ATOM 0 H ARG A 22 0.433 -17.368 -11.354 1.00 55.13 H new ATOM 0 HA ARG A 22 -1.185 -16.545 -9.019 1.00 71.40 H new ATOM 0 HB2 ARG A 22 1.033 -15.762 -8.139 1.00 11.31 H new ATOM 0 HB3 ARG A 22 0.916 -17.498 -8.348 1.00 11.31 H new ATOM 0 HG2 ARG A 22 2.012 -15.978 -10.668 1.00 51.55 H new ATOM 0 HG3 ARG A 22 3.008 -16.008 -9.226 1.00 51.55 H new ATOM 0 HD2 ARG A 22 3.330 -18.309 -9.314 1.00 61.12 H new ATOM 0 HD3 ARG A 22 1.806 -18.606 -10.127 1.00 61.12 H new ATOM 0 HE ARG A 22 3.751 -17.122 -11.754 1.00 3.54 H new ATOM 0 HH11 ARG A 22 2.535 -20.282 -10.755 1.00 45.42 H new ATOM 0 HH12 ARG A 22 3.154 -21.102 -12.192 1.00 45.42 H new ATOM 0 HH21 ARG A 22 4.541 -18.182 -13.598 1.00 0.04 H new ATOM 0 HH22 ARG A 22 4.284 -19.919 -13.795 1.00 0.04 H new ATOM 371 N PHE A 23 -0.885 -14.028 -9.362 1.00 2.15 N ATOM 372 CA PHE A 23 -1.019 -12.627 -9.745 1.00 73.51 C ATOM 373 C PHE A 23 -0.556 -11.708 -8.618 1.00 75.25 C ATOM 374 O PHE A 23 -0.440 -12.129 -7.468 1.00 23.23 O ATOM 375 CB PHE A 23 -2.472 -12.314 -10.110 1.00 44.13 C ATOM 376 CG PHE A 23 -3.445 -12.608 -9.005 1.00 22.13 C ATOM 377 CD1 PHE A 23 -3.942 -13.889 -8.824 1.00 5.23 C ATOM 378 CD2 PHE A 23 -3.863 -11.604 -8.147 1.00 12.23 C ATOM 379 CE1 PHE A 23 -4.837 -14.163 -7.807 1.00 21.10 C ATOM 380 CE2 PHE A 23 -4.758 -11.872 -7.128 1.00 61.21 C ATOM 381 CZ PHE A 23 -5.246 -13.153 -6.959 1.00 33.02 C ATOM 0 H PHE A 23 -1.172 -14.233 -8.405 1.00 2.15 H new ATOM 0 HA PHE A 23 -0.387 -12.451 -10.615 1.00 73.51 H new ATOM 0 HB2 PHE A 23 -2.551 -11.261 -10.382 1.00 44.13 H new ATOM 0 HB3 PHE A 23 -2.750 -12.893 -10.991 1.00 44.13 H new ATOM 0 HD1 PHE A 23 -3.626 -14.682 -9.485 1.00 5.23 H new ATOM 0 HD2 PHE A 23 -3.485 -10.600 -8.276 1.00 12.23 H new ATOM 0 HE1 PHE A 23 -5.216 -15.166 -7.676 1.00 21.10 H new ATOM 0 HE2 PHE A 23 -5.075 -11.081 -6.465 1.00 61.21 H new ATOM 0 HZ PHE A 23 -5.947 -13.364 -6.165 1.00 33.02 H new ATOM 391 N SER A 24 -0.294 -10.451 -8.959 1.00 42.52 N ATOM 392 CA SER A 24 0.161 -9.472 -7.978 1.00 54.13 C ATOM 393 C SER A 24 -1.018 -8.895 -7.201 1.00 12.44 C ATOM 394 O SER A 24 -1.824 -8.139 -7.743 1.00 53.42 O ATOM 395 CB SER A 24 0.931 -8.345 -8.670 1.00 32.22 C ATOM 396 OG SER A 24 0.083 -7.598 -9.525 1.00 1.23 O ATOM 0 H SER A 24 -0.389 -10.086 -9.907 1.00 42.52 H new ATOM 0 HA SER A 24 0.824 -9.978 -7.276 1.00 54.13 H new ATOM 0 HB2 SER A 24 1.369 -7.686 -7.920 1.00 32.22 H new ATOM 0 HB3 SER A 24 1.756 -8.764 -9.246 1.00 32.22 H new ATOM 0 HG SER A 24 -0.826 -7.588 -9.158 1.00 1.23 H new ATOM 402 N PHE A 25 -1.112 -9.257 -5.925 1.00 42.25 N ATOM 403 CA PHE A 25 -2.192 -8.777 -5.072 1.00 11.43 C ATOM 404 C PHE A 25 -1.690 -7.702 -4.112 1.00 50.41 C ATOM 405 O PHE A 25 -0.575 -7.787 -3.596 1.00 41.21 O ATOM 406 CB PHE A 25 -2.801 -9.937 -4.282 1.00 22.11 C ATOM 407 CG PHE A 25 -4.035 -9.558 -3.515 1.00 12.02 C ATOM 408 CD1 PHE A 25 -5.245 -9.382 -4.167 1.00 11.42 C ATOM 409 CD2 PHE A 25 -3.986 -9.378 -2.142 1.00 21.51 C ATOM 410 CE1 PHE A 25 -6.382 -9.032 -3.463 1.00 52.03 C ATOM 411 CE2 PHE A 25 -5.120 -9.029 -1.433 1.00 20.21 C ATOM 412 CZ PHE A 25 -6.320 -8.857 -2.095 1.00 1.24 C ATOM 0 H PHE A 25 -0.453 -9.881 -5.460 1.00 42.25 H new ATOM 0 HA PHE A 25 -2.959 -8.340 -5.711 1.00 11.43 H new ATOM 0 HB2 PHE A 25 -3.045 -10.746 -4.970 1.00 22.11 H new ATOM 0 HB3 PHE A 25 -2.056 -10.324 -3.587 1.00 22.11 H new ATOM 0 HD1 PHE A 25 -5.300 -9.520 -5.237 1.00 11.42 H new ATOM 0 HD2 PHE A 25 -3.050 -9.512 -1.619 1.00 21.51 H new ATOM 0 HE1 PHE A 25 -7.319 -8.895 -3.983 1.00 52.03 H new ATOM 0 HE2 PHE A 25 -5.068 -8.891 -0.363 1.00 20.21 H new ATOM 0 HZ PHE A 25 -7.208 -8.586 -1.543 1.00 1.24 H new ATOM 422 N CYS A 26 -2.520 -6.691 -3.879 1.00 32.45 N ATOM 423 CA CYS A 26 -2.161 -5.598 -2.982 1.00 70.12 C ATOM 424 C CYS A 26 -2.381 -5.994 -1.526 1.00 23.51 C ATOM 425 O CYS A 26 -3.325 -6.716 -1.203 1.00 41.25 O ATOM 426 CB CYS A 26 -2.980 -4.350 -3.313 1.00 14.22 C ATOM 427 SG CYS A 26 -2.196 -3.248 -4.513 1.00 61.41 S ATOM 0 H CYS A 26 -3.446 -6.605 -4.299 1.00 32.45 H new ATOM 0 HA CYS A 26 -1.103 -5.378 -3.123 1.00 70.12 H new ATOM 0 HB2 CYS A 26 -3.951 -4.658 -3.700 1.00 14.22 H new ATOM 0 HB3 CYS A 26 -3.165 -3.795 -2.393 1.00 14.22 H new ATOM 0 HG CYS A 26 -2.966 -2.223 -4.729 1.00 61.41 H new ATOM 433 N PHE A 27 -1.501 -5.520 -0.650 1.00 15.42 N ATOM 434 CA PHE A 27 -1.597 -5.827 0.773 1.00 55.45 C ATOM 435 C PHE A 27 -2.316 -4.709 1.523 1.00 42.21 C ATOM 436 O PHE A 27 -2.172 -4.570 2.737 1.00 12.25 O ATOM 437 CB PHE A 27 -0.203 -6.040 1.365 1.00 11.12 C ATOM 438 CG PHE A 27 -0.210 -6.825 2.646 1.00 64.25 C ATOM 439 CD1 PHE A 27 -0.729 -8.109 2.684 1.00 61.14 C ATOM 440 CD2 PHE A 27 0.303 -6.279 3.811 1.00 22.12 C ATOM 441 CE1 PHE A 27 -0.736 -8.835 3.860 1.00 11.41 C ATOM 442 CE2 PHE A 27 0.299 -7.000 4.990 1.00 1.13 C ATOM 443 CZ PHE A 27 -0.222 -8.279 5.015 1.00 13.32 C ATOM 0 H PHE A 27 -0.713 -4.922 -0.900 1.00 15.42 H new ATOM 0 HA PHE A 27 -2.175 -6.745 0.884 1.00 55.45 H new ATOM 0 HB2 PHE A 27 0.418 -6.558 0.634 1.00 11.12 H new ATOM 0 HB3 PHE A 27 0.259 -5.069 1.545 1.00 11.12 H new ATOM 0 HD1 PHE A 27 -1.133 -8.548 1.784 1.00 61.14 H new ATOM 0 HD2 PHE A 27 0.711 -5.279 3.798 1.00 22.12 H new ATOM 0 HE1 PHE A 27 -1.143 -9.835 3.876 1.00 11.41 H new ATOM 0 HE2 PHE A 27 0.703 -6.564 5.891 1.00 1.13 H new ATOM 0 HZ PHE A 27 -0.227 -8.843 5.936 1.00 13.32 H new ATOM 453 N SER A 28 -3.089 -3.914 0.790 1.00 42.21 N ATOM 454 CA SER A 28 -3.826 -2.805 1.384 1.00 35.21 C ATOM 455 C SER A 28 -4.896 -3.317 2.344 1.00 10.12 C ATOM 456 O SER A 28 -5.306 -4.477 2.296 1.00 54.30 O ATOM 457 CB SER A 28 -4.472 -1.951 0.292 1.00 54.14 C ATOM 458 OG SER A 28 -3.601 -0.915 -0.128 1.00 63.53 O ATOM 0 H SER A 28 -3.221 -4.017 -0.216 1.00 42.21 H new ATOM 0 HA SER A 28 -3.121 -2.192 1.945 1.00 35.21 H new ATOM 0 HB2 SER A 28 -4.731 -2.580 -0.560 1.00 54.14 H new ATOM 0 HB3 SER A 28 -5.401 -1.520 0.665 1.00 54.14 H new ATOM 0 HG SER A 28 -4.037 -0.385 -0.828 1.00 63.53 H new ATOM 464 N PRO A 29 -5.359 -2.431 3.239 1.00 72.50 N ATOM 465 CA PRO A 29 -6.387 -2.769 4.228 1.00 73.32 C ATOM 466 C PRO A 29 -7.755 -2.988 3.590 1.00 31.42 C ATOM 467 O PRO A 29 -8.444 -3.960 3.898 1.00 72.31 O ATOM 468 CB PRO A 29 -6.415 -1.543 5.144 1.00 23.51 C ATOM 469 CG PRO A 29 -5.919 -0.425 4.295 1.00 43.53 C ATOM 470 CD PRO A 29 -4.915 -1.032 3.354 1.00 74.12 C ATOM 0 HA PRO A 29 -6.162 -3.701 4.747 1.00 73.32 H new ATOM 0 HB2 PRO A 29 -7.422 -1.345 5.510 1.00 23.51 H new ATOM 0 HB3 PRO A 29 -5.781 -1.688 6.019 1.00 23.51 H new ATOM 0 HG2 PRO A 29 -6.737 0.040 3.745 1.00 43.53 H new ATOM 0 HG3 PRO A 29 -5.461 0.354 4.904 1.00 43.53 H new ATOM 0 HD2 PRO A 29 -4.915 -0.529 2.387 1.00 74.12 H new ATOM 0 HD3 PRO A 29 -3.901 -0.963 3.749 1.00 74.12 H new ATOM 478 N GLU A 30 -8.141 -2.079 2.701 1.00 41.04 N ATOM 479 CA GLU A 30 -9.427 -2.174 2.021 1.00 72.34 C ATOM 480 C GLU A 30 -9.348 -1.572 0.621 1.00 74.35 C ATOM 481 O GLU A 30 -8.528 -0.699 0.338 1.00 1.22 O ATOM 482 CB GLU A 30 -10.512 -1.464 2.833 1.00 74.14 C ATOM 483 CG GLU A 30 -10.679 -2.015 4.239 1.00 43.11 C ATOM 484 CD GLU A 30 -11.752 -1.289 5.026 1.00 34.34 C ATOM 485 OE1 GLU A 30 -12.510 -0.506 4.416 1.00 24.21 O ATOM 486 OE2 GLU A 30 -11.835 -1.505 6.254 1.00 71.43 O ATOM 0 H GLU A 30 -7.582 -1.269 2.435 1.00 41.04 H new ATOM 0 HA GLU A 30 -9.684 -3.229 1.930 1.00 72.34 H new ATOM 0 HB2 GLU A 30 -10.272 -0.402 2.894 1.00 74.14 H new ATOM 0 HB3 GLU A 30 -11.462 -1.546 2.304 1.00 74.14 H new ATOM 0 HG2 GLU A 30 -10.929 -3.074 4.183 1.00 43.11 H new ATOM 0 HG3 GLU A 30 -9.730 -1.939 4.770 1.00 43.11 H new ATOM 493 N PRO A 31 -10.222 -2.050 -0.279 1.00 25.25 N ATOM 494 CA PRO A 31 -10.271 -1.574 -1.664 1.00 74.21 C ATOM 495 C PRO A 31 -10.796 -0.146 -1.768 1.00 30.20 C ATOM 496 O PRO A 31 -10.205 0.693 -2.446 1.00 54.35 O ATOM 497 CB PRO A 31 -11.238 -2.550 -2.340 1.00 14.33 C ATOM 498 CG PRO A 31 -12.101 -3.054 -1.235 1.00 13.21 C ATOM 499 CD PRO A 31 -11.228 -3.092 -0.012 1.00 2.45 C ATOM 0 HA PRO A 31 -9.282 -1.547 -2.121 1.00 74.21 H new ATOM 0 HB2 PRO A 31 -11.829 -2.053 -3.109 1.00 14.33 H new ATOM 0 HB3 PRO A 31 -10.702 -3.365 -2.827 1.00 14.33 H new ATOM 0 HG2 PRO A 31 -12.960 -2.400 -1.081 1.00 13.21 H new ATOM 0 HG3 PRO A 31 -12.492 -4.045 -1.466 1.00 13.21 H new ATOM 0 HD2 PRO A 31 -11.796 -2.880 0.894 1.00 2.45 H new ATOM 0 HD3 PRO A 31 -10.767 -4.071 0.123 1.00 2.45 H new ATOM 507 N GLU A 32 -11.908 0.122 -1.091 1.00 32.42 N ATOM 508 CA GLU A 32 -12.512 1.449 -1.108 1.00 64.13 C ATOM 509 C GLU A 32 -12.592 2.028 0.301 1.00 14.50 C ATOM 510 O GLU A 32 -12.169 1.397 1.269 1.00 71.25 O ATOM 511 CB GLU A 32 -13.909 1.390 -1.728 1.00 52.03 C ATOM 512 CG GLU A 32 -13.899 1.300 -3.245 1.00 60.40 C ATOM 513 CD GLU A 32 -13.565 2.623 -3.906 1.00 62.31 C ATOM 514 OE1 GLU A 32 -14.460 3.491 -3.980 1.00 62.34 O ATOM 515 OE2 GLU A 32 -12.409 2.790 -4.349 1.00 55.21 O ATOM 0 H GLU A 32 -12.409 -0.562 -0.524 1.00 32.42 H new ATOM 0 HA GLU A 32 -11.881 2.100 -1.714 1.00 64.13 H new ATOM 0 HB2 GLU A 32 -14.440 0.528 -1.325 1.00 52.03 H new ATOM 0 HB3 GLU A 32 -14.468 2.277 -1.429 1.00 52.03 H new ATOM 0 HG2 GLU A 32 -13.172 0.549 -3.556 1.00 60.40 H new ATOM 0 HG3 GLU A 32 -14.875 0.961 -3.592 1.00 60.40 H new ATOM 522 N ALA A 33 -13.139 3.235 0.408 1.00 44.33 N ATOM 523 CA ALA A 33 -13.277 3.900 1.698 1.00 44.15 C ATOM 524 C ALA A 33 -14.744 4.118 2.049 1.00 55.04 C ATOM 525 O ALA A 33 -15.102 4.224 3.221 1.00 30.32 O ATOM 526 CB ALA A 33 -12.531 5.226 1.690 1.00 12.51 C ATOM 0 H ALA A 33 -13.494 3.772 -0.383 1.00 44.33 H new ATOM 0 HA ALA A 33 -12.841 3.255 2.460 1.00 44.15 H new ATOM 0 HB1 ALA A 33 -12.642 5.712 2.659 1.00 12.51 H new ATOM 0 HB2 ALA A 33 -11.474 5.048 1.493 1.00 12.51 H new ATOM 0 HB3 ALA A 33 -12.942 5.870 0.912 1.00 12.51 H new ATOM 532 N GLU A 34 -15.590 4.185 1.025 1.00 64.25 N ATOM 533 CA GLU A 34 -17.019 4.392 1.227 1.00 62.03 C ATOM 534 C GLU A 34 -17.832 3.333 0.488 1.00 61.03 C ATOM 535 O GLU A 34 -18.812 2.808 1.015 1.00 22.32 O ATOM 536 CB GLU A 34 -17.427 5.788 0.751 1.00 63.21 C ATOM 537 CG GLU A 34 -16.892 6.909 1.626 1.00 51.44 C ATOM 538 CD GLU A 34 -16.887 8.250 0.917 1.00 13.01 C ATOM 539 OE1 GLU A 34 -17.958 8.889 0.850 1.00 35.30 O ATOM 540 OE2 GLU A 34 -15.813 8.660 0.430 1.00 54.33 O ATOM 0 H GLU A 34 -15.310 4.099 0.048 1.00 64.25 H new ATOM 0 HA GLU A 34 -17.225 4.305 2.294 1.00 62.03 H new ATOM 0 HB2 GLU A 34 -17.071 5.933 -0.269 1.00 63.21 H new ATOM 0 HB3 GLU A 34 -18.515 5.849 0.721 1.00 63.21 H new ATOM 0 HG2 GLU A 34 -17.499 6.982 2.529 1.00 51.44 H new ATOM 0 HG3 GLU A 34 -15.878 6.666 1.942 1.00 51.44 H new ATOM 547 N ALA A 35 -17.418 3.025 -0.737 1.00 44.40 N ATOM 548 CA ALA A 35 -18.106 2.029 -1.548 1.00 64.14 C ATOM 549 C ALA A 35 -18.285 0.724 -0.780 1.00 22.00 C ATOM 550 O ALA A 35 -19.399 0.361 -0.405 1.00 54.53 O ATOM 551 CB ALA A 35 -17.342 1.782 -2.841 1.00 22.01 C ATOM 0 H ALA A 35 -16.609 3.451 -1.189 1.00 44.40 H new ATOM 0 HA ALA A 35 -19.096 2.416 -1.791 1.00 64.14 H new ATOM 0 HB1 ALA A 35 -17.867 1.036 -3.437 1.00 22.01 H new ATOM 0 HB2 ALA A 35 -17.271 2.712 -3.405 1.00 22.01 H new ATOM 0 HB3 ALA A 35 -16.340 1.421 -2.608 1.00 22.01 H new ATOM 557 N ALA A 36 -17.180 0.022 -0.549 1.00 51.04 N ATOM 558 CA ALA A 36 -17.216 -1.242 0.175 1.00 23.15 C ATOM 559 C ALA A 36 -17.957 -1.095 1.500 1.00 3.31 C ATOM 560 O ALA A 36 -17.527 -0.354 2.384 1.00 44.04 O ATOM 561 CB ALA A 36 -15.803 -1.754 0.413 1.00 22.11 C ATOM 0 H ALA A 36 -16.249 0.308 -0.853 1.00 51.04 H new ATOM 0 HA ALA A 36 -17.756 -1.966 -0.435 1.00 23.15 H new ATOM 0 HB1 ALA A 36 -15.845 -2.699 0.955 1.00 22.11 H new ATOM 0 HB2 ALA A 36 -15.305 -1.907 -0.545 1.00 22.11 H new ATOM 0 HB3 ALA A 36 -15.245 -1.024 1.000 1.00 22.11 H new ATOM 567 N ALA A 37 -19.073 -1.804 1.630 1.00 21.24 N ATOM 568 CA ALA A 37 -19.873 -1.753 2.848 1.00 42.11 C ATOM 569 C ALA A 37 -19.506 -2.891 3.794 1.00 31.11 C ATOM 570 O ALA A 37 -20.380 -3.561 4.343 1.00 2.12 O ATOM 571 CB ALA A 37 -21.355 -1.803 2.508 1.00 70.30 C ATOM 0 H ALA A 37 -19.444 -2.421 0.907 1.00 21.24 H new ATOM 0 HA ALA A 37 -19.659 -0.812 3.355 1.00 42.11 H new ATOM 0 HB1 ALA A 37 -21.941 -1.764 3.427 1.00 70.30 H new ATOM 0 HB2 ALA A 37 -21.613 -0.952 1.877 1.00 70.30 H new ATOM 0 HB3 ALA A 37 -21.575 -2.729 1.976 1.00 70.30 H new ATOM 577 N GLY A 38 -18.207 -3.105 3.980 1.00 61.23 N ATOM 578 CA GLY A 38 -17.748 -4.164 4.859 1.00 21.15 C ATOM 579 C GLY A 38 -16.626 -4.980 4.248 1.00 31.14 C ATOM 580 O GLY A 38 -15.458 -4.841 4.613 1.00 14.22 O ATOM 0 H GLY A 38 -17.464 -2.564 3.537 1.00 61.23 H new ATOM 0 HA2 GLY A 38 -17.407 -3.730 5.799 1.00 21.15 H new ATOM 0 HA3 GLY A 38 -18.584 -4.822 5.097 1.00 21.15 H new ATOM 584 N PRO A 39 -16.978 -5.857 3.296 1.00 44.30 N ATOM 585 CA PRO A 39 -16.006 -6.716 2.614 1.00 61.52 C ATOM 586 C PRO A 39 -15.086 -5.929 1.687 1.00 24.41 C ATOM 587 O PRO A 39 -15.090 -4.699 1.690 1.00 23.25 O ATOM 588 CB PRO A 39 -16.885 -7.675 1.807 1.00 53.45 C ATOM 589 CG PRO A 39 -18.157 -6.929 1.589 1.00 62.41 C ATOM 590 CD PRO A 39 -18.351 -6.076 2.811 1.00 2.44 C ATOM 0 HA PRO A 39 -15.340 -7.216 3.317 1.00 61.52 H new ATOM 0 HB2 PRO A 39 -16.415 -7.942 0.860 1.00 53.45 H new ATOM 0 HB3 PRO A 39 -17.059 -8.604 2.349 1.00 53.45 H new ATOM 0 HG2 PRO A 39 -18.100 -6.316 0.690 1.00 62.41 H new ATOM 0 HG3 PRO A 39 -18.994 -7.615 1.455 1.00 62.41 H new ATOM 0 HD2 PRO A 39 -18.847 -5.136 2.570 1.00 2.44 H new ATOM 0 HD3 PRO A 39 -18.966 -6.578 3.558 1.00 2.44 H new ATOM 598 N GLY A 40 -14.297 -6.648 0.893 1.00 11.13 N ATOM 599 CA GLY A 40 -13.383 -5.999 -0.028 1.00 64.31 C ATOM 600 C GLY A 40 -12.391 -6.969 -0.640 1.00 74.02 C ATOM 601 O GLY A 40 -12.467 -7.304 -1.823 1.00 35.15 O ATOM 0 H GLY A 40 -14.275 -7.668 0.872 1.00 11.13 H new ATOM 0 HA2 GLY A 40 -13.953 -5.518 -0.822 1.00 64.31 H new ATOM 0 HA3 GLY A 40 -12.841 -5.212 0.497 1.00 64.31 H new ATOM 605 N PRO A 41 -11.434 -7.435 0.175 1.00 64.53 N ATOM 606 CA PRO A 41 -10.404 -8.378 -0.272 1.00 61.23 C ATOM 607 C PRO A 41 -10.972 -9.764 -0.559 1.00 23.12 C ATOM 608 O PRO A 41 -10.618 -10.396 -1.555 1.00 75.20 O ATOM 609 CB PRO A 41 -9.434 -8.432 0.911 1.00 53.30 C ATOM 610 CG PRO A 41 -10.260 -8.062 2.094 1.00 32.35 C ATOM 611 CD PRO A 41 -11.282 -7.079 1.595 1.00 14.14 C ATOM 0 HA PRO A 41 -9.940 -8.062 -1.206 1.00 61.23 H new ATOM 0 HB2 PRO A 41 -9.003 -9.427 1.025 1.00 53.30 H new ATOM 0 HB3 PRO A 41 -8.604 -7.738 0.775 1.00 53.30 H new ATOM 0 HG2 PRO A 41 -10.741 -8.940 2.524 1.00 32.35 H new ATOM 0 HG3 PRO A 41 -9.644 -7.620 2.877 1.00 32.35 H new ATOM 0 HD2 PRO A 41 -12.224 -7.170 2.135 1.00 14.14 H new ATOM 0 HD3 PRO A 41 -10.943 -6.050 1.717 1.00 14.14 H new ATOM 619 N CYS A 42 -11.853 -10.230 0.319 1.00 24.33 N ATOM 620 CA CYS A 42 -12.469 -11.543 0.160 1.00 14.44 C ATOM 621 C CYS A 42 -13.059 -11.700 -1.237 1.00 73.42 C ATOM 622 O CYS A 42 -12.851 -12.718 -1.897 1.00 52.33 O ATOM 623 CB CYS A 42 -13.559 -11.748 1.213 1.00 14.44 C ATOM 624 SG CYS A 42 -14.656 -10.326 1.427 1.00 73.11 S ATOM 0 H CYS A 42 -12.157 -9.719 1.148 1.00 24.33 H new ATOM 0 HA CYS A 42 -11.696 -12.299 0.296 1.00 14.44 H new ATOM 0 HB2 CYS A 42 -14.157 -12.616 0.937 1.00 14.44 H new ATOM 0 HB3 CYS A 42 -13.087 -11.977 2.169 1.00 14.44 H new ATOM 0 HG CYS A 42 -15.763 -10.712 1.989 1.00 73.11 H new ATOM 630 N GLU A 43 -13.797 -10.687 -1.680 1.00 73.34 N ATOM 631 CA GLU A 43 -14.419 -10.716 -2.999 1.00 14.21 C ATOM 632 C GLU A 43 -13.401 -10.390 -4.088 1.00 32.40 C ATOM 633 O GLU A 43 -13.470 -10.923 -5.196 1.00 24.54 O ATOM 634 CB GLU A 43 -15.583 -9.724 -3.060 1.00 5.50 C ATOM 635 CG GLU A 43 -15.161 -8.278 -2.858 1.00 44.25 C ATOM 636 CD GLU A 43 -16.326 -7.312 -2.947 1.00 72.15 C ATOM 637 OE1 GLU A 43 -17.234 -7.399 -2.094 1.00 41.40 O ATOM 638 OE2 GLU A 43 -16.331 -6.470 -3.870 1.00 31.51 O ATOM 0 H GLU A 43 -13.979 -9.837 -1.146 1.00 73.34 H new ATOM 0 HA GLU A 43 -14.799 -11.723 -3.171 1.00 14.21 H new ATOM 0 HB2 GLU A 43 -16.079 -9.817 -4.026 1.00 5.50 H new ATOM 0 HB3 GLU A 43 -16.316 -9.990 -2.298 1.00 5.50 H new ATOM 0 HG2 GLU A 43 -14.683 -8.176 -1.884 1.00 44.25 H new ATOM 0 HG3 GLU A 43 -14.416 -8.013 -3.608 1.00 44.25 H new ATOM 645 N ARG A 44 -12.458 -9.512 -3.765 1.00 12.53 N ATOM 646 CA ARG A 44 -11.427 -9.113 -4.715 1.00 61.20 C ATOM 647 C ARG A 44 -10.588 -10.314 -5.142 1.00 22.12 C ATOM 648 O ARG A 44 -10.097 -10.373 -6.270 1.00 4.51 O ATOM 649 CB ARG A 44 -10.526 -8.040 -4.102 1.00 44.20 C ATOM 650 CG ARG A 44 -10.934 -6.621 -4.465 1.00 71.51 C ATOM 651 CD ARG A 44 -9.861 -5.616 -4.077 1.00 71.24 C ATOM 652 NE ARG A 44 -8.597 -5.873 -4.763 1.00 12.13 N ATOM 653 CZ ARG A 44 -7.494 -5.161 -4.561 1.00 51.23 C ATOM 654 NH1 ARG A 44 -7.499 -4.154 -3.699 1.00 13.04 N ATOM 655 NH2 ARG A 44 -6.382 -5.456 -5.223 1.00 55.20 N ATOM 0 H ARG A 44 -12.386 -9.063 -2.852 1.00 12.53 H new ATOM 0 HA ARG A 44 -11.920 -8.703 -5.597 1.00 61.20 H new ATOM 0 HB2 ARG A 44 -10.536 -8.146 -3.017 1.00 44.20 H new ATOM 0 HB3 ARG A 44 -9.500 -8.209 -4.429 1.00 44.20 H new ATOM 0 HG2 ARG A 44 -11.122 -6.558 -5.537 1.00 71.51 H new ATOM 0 HG3 ARG A 44 -11.868 -6.370 -3.962 1.00 71.51 H new ATOM 0 HD2 ARG A 44 -10.204 -4.609 -4.315 1.00 71.24 H new ATOM 0 HD3 ARG A 44 -9.703 -5.653 -2.999 1.00 71.24 H new ATOM 0 HE ARG A 44 -8.559 -6.641 -5.433 1.00 12.13 H new ATOM 0 HH11 ARG A 44 -8.352 -3.924 -3.188 1.00 13.04 H new ATOM 0 HH12 ARG A 44 -6.650 -3.609 -3.546 1.00 13.04 H new ATOM 0 HH21 ARG A 44 -6.374 -6.230 -5.887 1.00 55.20 H new ATOM 0 HH22 ARG A 44 -5.535 -4.909 -5.067 1.00 55.20 H new ATOM 669 N LEU A 45 -10.427 -11.270 -4.233 1.00 51.32 N ATOM 670 CA LEU A 45 -9.647 -12.470 -4.515 1.00 2.23 C ATOM 671 C LEU A 45 -10.474 -13.487 -5.295 1.00 11.52 C ATOM 672 O LEU A 45 -10.049 -13.977 -6.342 1.00 2.33 O ATOM 673 CB LEU A 45 -9.147 -13.095 -3.211 1.00 11.51 C ATOM 674 CG LEU A 45 -8.663 -14.542 -3.303 1.00 2.03 C ATOM 675 CD1 LEU A 45 -7.557 -14.670 -4.339 1.00 75.33 C ATOM 676 CD2 LEU A 45 -8.182 -15.031 -1.944 1.00 43.42 C ATOM 0 H LEU A 45 -10.826 -11.237 -3.295 1.00 51.32 H new ATOM 0 HA LEU A 45 -8.791 -12.182 -5.125 1.00 2.23 H new ATOM 0 HB2 LEU A 45 -8.330 -12.483 -2.828 1.00 11.51 H new ATOM 0 HB3 LEU A 45 -9.951 -13.048 -2.477 1.00 11.51 H new ATOM 0 HG LEU A 45 -9.500 -15.166 -3.616 1.00 2.03 H new ATOM 0 HD11 LEU A 45 -7.225 -15.707 -4.391 1.00 75.33 H new ATOM 0 HD12 LEU A 45 -7.934 -14.361 -5.314 1.00 75.33 H new ATOM 0 HD13 LEU A 45 -6.718 -14.034 -4.056 1.00 75.33 H new ATOM 0 HD21 LEU A 45 -7.841 -16.063 -2.028 1.00 43.42 H new ATOM 0 HD22 LEU A 45 -7.359 -14.404 -1.602 1.00 43.42 H new ATOM 0 HD23 LEU A 45 -9.001 -14.977 -1.227 1.00 43.42 H new ATOM 688 N LEU A 46 -11.658 -13.798 -4.780 1.00 13.33 N ATOM 689 CA LEU A 46 -12.547 -14.755 -5.429 1.00 55.21 C ATOM 690 C LEU A 46 -12.840 -14.337 -6.867 1.00 33.33 C ATOM 691 O LEU A 46 -13.189 -15.168 -7.706 1.00 44.40 O ATOM 692 CB LEU A 46 -13.855 -14.879 -4.646 1.00 14.35 C ATOM 693 CG LEU A 46 -13.881 -15.940 -3.545 1.00 63.34 C ATOM 694 CD1 LEU A 46 -13.980 -17.333 -4.149 1.00 41.43 C ATOM 695 CD2 LEU A 46 -12.645 -15.826 -2.665 1.00 42.30 C ATOM 0 H LEU A 46 -12.025 -13.401 -3.915 1.00 13.33 H new ATOM 0 HA LEU A 46 -12.048 -15.724 -5.446 1.00 55.21 H new ATOM 0 HB2 LEU A 46 -14.079 -13.912 -4.196 1.00 14.35 H new ATOM 0 HB3 LEU A 46 -14.658 -15.096 -5.351 1.00 14.35 H new ATOM 0 HG LEU A 46 -14.761 -15.771 -2.925 1.00 63.34 H new ATOM 0 HD11 LEU A 46 -13.997 -18.075 -3.351 1.00 41.43 H new ATOM 0 HD12 LEU A 46 -14.895 -17.411 -4.737 1.00 41.43 H new ATOM 0 HD13 LEU A 46 -13.119 -17.512 -4.793 1.00 41.43 H new ATOM 0 HD21 LEU A 46 -12.681 -16.589 -1.887 1.00 42.30 H new ATOM 0 HD22 LEU A 46 -11.751 -15.969 -3.273 1.00 42.30 H new ATOM 0 HD23 LEU A 46 -12.616 -14.839 -2.204 1.00 42.30 H new ATOM 707 N SER A 47 -12.694 -13.046 -7.144 1.00 15.53 N ATOM 708 CA SER A 47 -12.945 -12.517 -8.480 1.00 22.34 C ATOM 709 C SER A 47 -11.872 -12.985 -9.459 1.00 32.04 C ATOM 710 O SER A 47 -12.171 -13.355 -10.594 1.00 54.11 O ATOM 711 CB SER A 47 -12.989 -10.988 -8.446 1.00 72.44 C ATOM 712 OG SER A 47 -14.287 -10.509 -8.755 1.00 24.01 O ATOM 0 H SER A 47 -12.403 -12.346 -6.461 1.00 15.53 H new ATOM 0 HA SER A 47 -13.910 -12.893 -8.818 1.00 22.34 H new ATOM 0 HB2 SER A 47 -12.693 -10.634 -7.459 1.00 72.44 H new ATOM 0 HB3 SER A 47 -12.270 -10.584 -9.158 1.00 72.44 H new ATOM 0 HG SER A 47 -14.290 -9.529 -8.725 1.00 24.01 H new ATOM 718 N ARG A 48 -10.621 -12.965 -9.010 1.00 34.52 N ATOM 719 CA ARG A 48 -9.503 -13.386 -9.845 1.00 72.04 C ATOM 720 C ARG A 48 -9.564 -14.886 -10.121 1.00 12.41 C ATOM 721 O ARG A 48 -9.489 -15.320 -11.270 1.00 42.13 O ATOM 722 CB ARG A 48 -8.175 -13.034 -9.172 1.00 53.14 C ATOM 723 CG ARG A 48 -8.154 -11.644 -8.558 1.00 4.10 C ATOM 724 CD ARG A 48 -8.528 -10.579 -9.577 1.00 3.43 C ATOM 725 NE ARG A 48 -7.561 -10.502 -10.668 1.00 42.25 N ATOM 726 CZ ARG A 48 -7.446 -9.453 -11.476 1.00 21.21 C ATOM 727 NH1 ARG A 48 -8.233 -8.399 -11.315 1.00 11.34 N ATOM 728 NH2 ARG A 48 -6.542 -9.458 -12.447 1.00 25.11 N ATOM 0 H ARG A 48 -10.357 -12.662 -8.073 1.00 34.52 H new ATOM 0 HA ARG A 48 -9.573 -12.856 -10.795 1.00 72.04 H new ATOM 0 HB2 ARG A 48 -7.965 -13.769 -8.395 1.00 53.14 H new ATOM 0 HB3 ARG A 48 -7.374 -13.110 -9.907 1.00 53.14 H new ATOM 0 HG2 ARG A 48 -8.848 -11.605 -7.718 1.00 4.10 H new ATOM 0 HG3 ARG A 48 -7.161 -11.436 -8.160 1.00 4.10 H new ATOM 0 HD2 ARG A 48 -9.516 -10.797 -9.983 1.00 3.43 H new ATOM 0 HD3 ARG A 48 -8.593 -9.610 -9.082 1.00 3.43 H new ATOM 0 HE ARG A 48 -6.940 -11.297 -10.818 1.00 42.25 H new ATOM 0 HH11 ARG A 48 -8.929 -8.391 -10.570 1.00 11.34 H new ATOM 0 HH12 ARG A 48 -8.143 -7.595 -11.937 1.00 11.34 H new ATOM 0 HH21 ARG A 48 -5.934 -10.267 -12.574 1.00 25.11 H new ATOM 0 HH22 ARG A 48 -6.455 -8.652 -13.067 1.00 25.11 H new ATOM 742 N VAL A 49 -9.701 -15.672 -9.058 1.00 63.31 N ATOM 743 CA VAL A 49 -9.772 -17.123 -9.185 1.00 13.01 C ATOM 744 C VAL A 49 -10.783 -17.532 -10.251 1.00 24.22 C ATOM 745 O VAL A 49 -10.613 -18.548 -10.924 1.00 63.11 O ATOM 746 CB VAL A 49 -10.156 -17.785 -7.848 1.00 53.02 C ATOM 747 CG1 VAL A 49 -10.225 -19.297 -8.001 1.00 41.21 C ATOM 748 CG2 VAL A 49 -9.169 -17.395 -6.758 1.00 72.33 C ATOM 0 H VAL A 49 -9.765 -15.329 -8.100 1.00 63.31 H new ATOM 0 HA VAL A 49 -8.780 -17.464 -9.479 1.00 13.01 H new ATOM 0 HB VAL A 49 -11.144 -17.428 -7.556 1.00 53.02 H new ATOM 0 HG11 VAL A 49 -10.498 -19.747 -7.046 1.00 41.21 H new ATOM 0 HG12 VAL A 49 -10.974 -19.553 -8.750 1.00 41.21 H new ATOM 0 HG13 VAL A 49 -9.253 -19.676 -8.316 1.00 41.21 H new ATOM 0 HG21 VAL A 49 -9.455 -17.871 -5.820 1.00 72.33 H new ATOM 0 HG22 VAL A 49 -8.168 -17.721 -7.040 1.00 72.33 H new ATOM 0 HG23 VAL A 49 -9.176 -16.312 -6.632 1.00 72.33 H new ATOM 758 N ALA A 50 -11.835 -16.734 -10.399 1.00 4.43 N ATOM 759 CA ALA A 50 -12.872 -17.011 -11.385 1.00 24.13 C ATOM 760 C ALA A 50 -12.348 -16.813 -12.803 1.00 42.30 C ATOM 761 O ALA A 50 -12.474 -17.696 -13.652 1.00 14.34 O ATOM 762 CB ALA A 50 -14.084 -16.125 -11.139 1.00 70.21 C ATOM 0 H ALA A 50 -11.992 -15.890 -9.848 1.00 4.43 H new ATOM 0 HA ALA A 50 -13.171 -18.054 -11.279 1.00 24.13 H new ATOM 0 HB1 ALA A 50 -14.851 -16.342 -11.883 1.00 70.21 H new ATOM 0 HB2 ALA A 50 -14.480 -16.319 -10.142 1.00 70.21 H new ATOM 0 HB3 ALA A 50 -13.791 -15.078 -11.216 1.00 70.21 H new ATOM 768 N VAL A 51 -11.760 -15.647 -13.054 1.00 65.52 N ATOM 769 CA VAL A 51 -11.216 -15.333 -14.370 1.00 70.31 C ATOM 770 C VAL A 51 -9.961 -16.151 -14.656 1.00 12.31 C ATOM 771 O VAL A 51 -9.588 -16.352 -15.812 1.00 73.54 O ATOM 772 CB VAL A 51 -10.879 -13.836 -14.495 1.00 54.44 C ATOM 773 CG1 VAL A 51 -9.968 -13.396 -13.360 1.00 30.13 C ATOM 774 CG2 VAL A 51 -10.241 -13.544 -15.845 1.00 72.53 C ATOM 0 H VAL A 51 -11.648 -14.905 -12.363 1.00 65.52 H new ATOM 0 HA VAL A 51 -11.985 -15.587 -15.099 1.00 70.31 H new ATOM 0 HB VAL A 51 -11.806 -13.267 -14.426 1.00 54.44 H new ATOM 0 HG11 VAL A 51 -9.741 -12.335 -13.466 1.00 30.13 H new ATOM 0 HG12 VAL A 51 -10.467 -13.567 -12.406 1.00 30.13 H new ATOM 0 HG13 VAL A 51 -9.042 -13.970 -13.393 1.00 30.13 H new ATOM 0 HG21 VAL A 51 -10.010 -12.481 -15.916 1.00 72.53 H new ATOM 0 HG22 VAL A 51 -9.323 -14.123 -15.946 1.00 72.53 H new ATOM 0 HG23 VAL A 51 -10.933 -13.818 -16.641 1.00 72.53 H new ATOM 784 N LEU A 52 -9.313 -16.620 -13.595 1.00 53.43 N ATOM 785 CA LEU A 52 -8.099 -17.417 -13.731 1.00 51.23 C ATOM 786 C LEU A 52 -8.436 -18.883 -13.981 1.00 64.32 C ATOM 787 O LEU A 52 -7.727 -19.578 -14.710 1.00 32.31 O ATOM 788 CB LEU A 52 -7.237 -17.287 -12.475 1.00 4.43 C ATOM 789 CG LEU A 52 -6.664 -15.897 -12.195 1.00 10.34 C ATOM 790 CD1 LEU A 52 -6.068 -15.837 -10.797 1.00 11.43 C ATOM 791 CD2 LEU A 52 -5.619 -15.530 -13.238 1.00 61.21 C ATOM 0 H LEU A 52 -9.608 -16.462 -12.631 1.00 53.43 H new ATOM 0 HA LEU A 52 -7.540 -17.040 -14.588 1.00 51.23 H new ATOM 0 HB2 LEU A 52 -7.834 -17.592 -11.616 1.00 4.43 H new ATOM 0 HB3 LEU A 52 -6.408 -17.991 -12.553 1.00 4.43 H new ATOM 0 HG LEU A 52 -7.476 -15.172 -12.253 1.00 10.34 H new ATOM 0 HD11 LEU A 52 -5.665 -14.841 -10.616 1.00 11.43 H new ATOM 0 HD12 LEU A 52 -6.843 -16.055 -10.062 1.00 11.43 H new ATOM 0 HD13 LEU A 52 -5.268 -16.573 -10.710 1.00 11.43 H new ATOM 0 HD21 LEU A 52 -5.223 -14.538 -13.022 1.00 61.21 H new ATOM 0 HD22 LEU A 52 -4.808 -16.258 -13.213 1.00 61.21 H new ATOM 0 HD23 LEU A 52 -6.076 -15.531 -14.227 1.00 61.21 H new ATOM 803 N PHE A 53 -9.523 -19.347 -13.374 1.00 25.54 N ATOM 804 CA PHE A 53 -9.954 -20.731 -13.531 1.00 73.40 C ATOM 805 C PHE A 53 -11.351 -20.799 -14.142 1.00 62.32 C ATOM 806 O PHE A 53 -12.331 -21.138 -13.478 1.00 42.13 O ATOM 807 CB PHE A 53 -9.941 -21.449 -12.180 1.00 13.14 C ATOM 808 CG PHE A 53 -8.587 -21.479 -11.530 1.00 74.31 C ATOM 809 CD1 PHE A 53 -7.444 -21.665 -12.290 1.00 21.51 C ATOM 810 CD2 PHE A 53 -8.458 -21.322 -10.159 1.00 74.35 C ATOM 811 CE1 PHE A 53 -6.196 -21.694 -11.695 1.00 53.44 C ATOM 812 CE2 PHE A 53 -7.214 -21.349 -9.559 1.00 64.25 C ATOM 813 CZ PHE A 53 -6.081 -21.536 -10.328 1.00 73.31 C ATOM 0 H PHE A 53 -10.122 -18.785 -12.769 1.00 25.54 H new ATOM 0 HA PHE A 53 -9.256 -21.228 -14.205 1.00 73.40 H new ATOM 0 HB2 PHE A 53 -10.646 -20.958 -11.510 1.00 13.14 H new ATOM 0 HB3 PHE A 53 -10.292 -22.472 -12.318 1.00 13.14 H new ATOM 0 HD1 PHE A 53 -7.528 -21.789 -13.360 1.00 21.51 H new ATOM 0 HD2 PHE A 53 -9.340 -21.177 -9.553 1.00 74.35 H new ATOM 0 HE1 PHE A 53 -5.312 -21.840 -12.299 1.00 53.44 H new ATOM 0 HE2 PHE A 53 -7.127 -21.224 -8.490 1.00 64.25 H new ATOM 0 HZ PHE A 53 -5.108 -21.559 -9.861 1.00 73.31 H new ATOM 823 N PRO A 54 -11.445 -20.469 -15.439 1.00 14.13 N ATOM 824 CA PRO A 54 -12.716 -20.484 -16.169 1.00 34.21 C ATOM 825 C PRO A 54 -13.241 -21.899 -16.390 1.00 41.21 C ATOM 826 O PRO A 54 -14.375 -22.089 -16.829 1.00 2.13 O ATOM 827 CB PRO A 54 -12.365 -19.829 -17.507 1.00 2.12 C ATOM 828 CG PRO A 54 -10.905 -20.074 -17.676 1.00 51.44 C ATOM 829 CD PRO A 54 -10.319 -20.056 -16.292 1.00 4.41 C ATOM 0 HA PRO A 54 -13.506 -19.970 -15.622 1.00 34.21 H new ATOM 0 HB2 PRO A 54 -12.937 -20.267 -18.325 1.00 2.12 H new ATOM 0 HB3 PRO A 54 -12.589 -18.762 -17.497 1.00 2.12 H new ATOM 0 HG2 PRO A 54 -10.724 -21.032 -18.164 1.00 51.44 H new ATOM 0 HG3 PRO A 54 -10.450 -19.306 -18.302 1.00 51.44 H new ATOM 0 HD2 PRO A 54 -9.476 -20.741 -16.204 1.00 4.41 H new ATOM 0 HD3 PRO A 54 -9.954 -19.065 -16.023 1.00 4.41 H new ATOM 837 N ALA A 55 -12.408 -22.888 -16.083 1.00 75.33 N ATOM 838 CA ALA A 55 -12.790 -24.286 -16.246 1.00 42.34 C ATOM 839 C ALA A 55 -14.068 -24.599 -15.476 1.00 61.51 C ATOM 840 O ALA A 55 -14.799 -25.530 -15.818 1.00 42.05 O ATOM 841 CB ALA A 55 -11.660 -25.198 -15.792 1.00 1.43 C ATOM 0 H ALA A 55 -11.465 -22.748 -15.720 1.00 75.33 H new ATOM 0 HA ALA A 55 -12.982 -24.464 -17.304 1.00 42.34 H new ATOM 0 HB1 ALA A 55 -11.959 -26.239 -15.919 1.00 1.43 H new ATOM 0 HB2 ALA A 55 -10.770 -25.000 -16.390 1.00 1.43 H new ATOM 0 HB3 ALA A 55 -11.440 -25.010 -14.741 1.00 1.43 H new ATOM 847 N LEU A 56 -14.332 -23.819 -14.434 1.00 41.43 N ATOM 848 CA LEU A 56 -15.523 -24.014 -13.614 1.00 45.32 C ATOM 849 C LEU A 56 -16.394 -22.762 -13.613 1.00 51.11 C ATOM 850 O LEU A 56 -16.114 -21.798 -14.326 1.00 1.13 O ATOM 851 CB LEU A 56 -15.126 -24.374 -12.182 1.00 4.04 C ATOM 852 CG LEU A 56 -14.162 -23.409 -11.489 1.00 61.44 C ATOM 853 CD1 LEU A 56 -14.905 -22.539 -10.488 1.00 54.35 C ATOM 854 CD2 LEU A 56 -13.041 -24.176 -10.803 1.00 32.42 C ATOM 0 H LEU A 56 -13.738 -23.045 -14.137 1.00 41.43 H new ATOM 0 HA LEU A 56 -16.099 -24.834 -14.042 1.00 45.32 H new ATOM 0 HB2 LEU A 56 -16.033 -24.443 -11.581 1.00 4.04 H new ATOM 0 HB3 LEU A 56 -14.673 -25.365 -12.190 1.00 4.04 H new ATOM 0 HG LEU A 56 -13.721 -22.760 -12.246 1.00 61.44 H new ATOM 0 HD11 LEU A 56 -14.203 -21.859 -10.005 1.00 54.35 H new ATOM 0 HD12 LEU A 56 -15.671 -21.962 -11.006 1.00 54.35 H new ATOM 0 HD13 LEU A 56 -15.374 -23.171 -9.734 1.00 54.35 H new ATOM 0 HD21 LEU A 56 -12.365 -23.474 -10.315 1.00 32.42 H new ATOM 0 HD22 LEU A 56 -13.464 -24.849 -10.058 1.00 32.42 H new ATOM 0 HD23 LEU A 56 -12.490 -24.755 -11.544 1.00 32.42 H new ATOM 866 N ARG A 57 -17.450 -22.783 -12.807 1.00 33.32 N ATOM 867 CA ARG A 57 -18.362 -21.650 -12.712 1.00 52.30 C ATOM 868 C ARG A 57 -17.619 -20.388 -12.282 1.00 63.34 C ATOM 869 O ARG A 57 -16.546 -20.445 -11.681 1.00 44.14 O ATOM 870 CB ARG A 57 -19.487 -21.954 -11.721 1.00 20.21 C ATOM 871 CG ARG A 57 -20.579 -22.843 -12.293 1.00 60.11 C ATOM 872 CD ARG A 57 -20.249 -24.317 -12.113 1.00 51.32 C ATOM 873 NE ARG A 57 -21.400 -25.173 -12.387 1.00 13.31 N ATOM 874 CZ ARG A 57 -22.420 -25.324 -11.549 1.00 5.14 C ATOM 875 NH1 ARG A 57 -22.430 -24.679 -10.390 1.00 34.51 N ATOM 876 NH2 ARG A 57 -23.431 -26.121 -11.869 1.00 10.31 N ATOM 0 H ARG A 57 -17.695 -23.573 -12.210 1.00 33.32 H new ATOM 0 HA ARG A 57 -18.792 -21.480 -13.699 1.00 52.30 H new ATOM 0 HB2 ARG A 57 -19.063 -22.435 -10.840 1.00 20.21 H new ATOM 0 HB3 ARG A 57 -19.931 -21.015 -11.389 1.00 20.21 H new ATOM 0 HG2 ARG A 57 -21.526 -22.619 -11.803 1.00 60.11 H new ATOM 0 HG3 ARG A 57 -20.709 -22.625 -13.353 1.00 60.11 H new ATOM 0 HD2 ARG A 57 -19.429 -24.589 -12.778 1.00 51.32 H new ATOM 0 HD3 ARG A 57 -19.904 -24.489 -11.094 1.00 51.32 H new ATOM 0 HE ARG A 57 -21.422 -25.683 -13.270 1.00 13.31 H new ATOM 0 HH11 ARG A 57 -21.654 -24.066 -10.141 1.00 34.51 H new ATOM 0 HH12 ARG A 57 -23.214 -24.796 -9.748 1.00 34.51 H new ATOM 0 HH21 ARG A 57 -23.426 -26.619 -12.759 1.00 10.31 H new ATOM 0 HH22 ARG A 57 -24.213 -26.236 -11.225 1.00 10.31 H new ATOM 890 N PRO A 58 -18.201 -19.222 -12.597 1.00 42.35 N ATOM 891 CA PRO A 58 -17.611 -17.924 -12.254 1.00 31.53 C ATOM 892 C PRO A 58 -17.648 -17.650 -10.754 1.00 62.02 C ATOM 893 O PRO A 58 -16.643 -17.262 -10.160 1.00 13.44 O ATOM 894 CB PRO A 58 -18.495 -16.924 -13.002 1.00 43.44 C ATOM 895 CG PRO A 58 -19.803 -17.618 -13.162 1.00 22.50 C ATOM 896 CD PRO A 58 -19.480 -19.079 -13.313 1.00 61.31 C ATOM 0 HA PRO A 58 -16.557 -17.870 -12.527 1.00 31.53 H new ATOM 0 HB2 PRO A 58 -18.605 -15.996 -12.440 1.00 43.44 H new ATOM 0 HB3 PRO A 58 -18.065 -16.662 -13.969 1.00 43.44 H new ATOM 0 HG2 PRO A 58 -20.444 -17.447 -12.297 1.00 22.50 H new ATOM 0 HG3 PRO A 58 -20.339 -17.244 -14.035 1.00 22.50 H new ATOM 0 HD2 PRO A 58 -20.256 -19.709 -12.879 1.00 61.31 H new ATOM 0 HD3 PRO A 58 -19.388 -19.364 -14.361 1.00 61.31 H new ATOM 904 N GLY A 59 -18.813 -17.855 -10.148 1.00 33.21 N ATOM 905 CA GLY A 59 -18.959 -17.625 -8.722 1.00 45.04 C ATOM 906 C GLY A 59 -19.486 -18.842 -7.989 1.00 74.23 C ATOM 907 O GLY A 59 -19.928 -18.744 -6.845 1.00 50.54 O ATOM 0 H GLY A 59 -19.659 -18.176 -10.619 1.00 33.21 H new ATOM 0 HA2 GLY A 59 -17.994 -17.342 -8.302 1.00 45.04 H new ATOM 0 HA3 GLY A 59 -19.636 -16.786 -8.560 1.00 45.04 H new ATOM 911 N GLY A 60 -19.442 -19.995 -8.651 1.00 14.13 N ATOM 912 CA GLY A 60 -19.925 -21.220 -8.040 1.00 2.33 C ATOM 913 C GLY A 60 -18.799 -22.090 -7.517 1.00 42.43 C ATOM 914 O GLY A 60 -18.731 -23.280 -7.824 1.00 24.00 O ATOM 0 H GLY A 60 -19.081 -20.102 -9.599 1.00 14.13 H new ATOM 0 HA2 GLY A 60 -20.599 -20.972 -7.220 1.00 2.33 H new ATOM 0 HA3 GLY A 60 -20.505 -21.783 -8.771 1.00 2.33 H new ATOM 918 N PHE A 61 -17.911 -21.495 -6.727 1.00 14.40 N ATOM 919 CA PHE A 61 -16.781 -22.223 -6.163 1.00 2.42 C ATOM 920 C PHE A 61 -16.393 -21.654 -4.801 1.00 45.22 C ATOM 921 O PHE A 61 -16.689 -20.500 -4.492 1.00 73.21 O ATOM 922 CB PHE A 61 -15.583 -22.163 -7.113 1.00 72.13 C ATOM 923 CG PHE A 61 -14.894 -20.829 -7.126 1.00 5.22 C ATOM 924 CD1 PHE A 61 -15.422 -19.768 -7.843 1.00 11.42 C ATOM 925 CD2 PHE A 61 -13.716 -20.636 -6.421 1.00 33.11 C ATOM 926 CE1 PHE A 61 -14.790 -18.538 -7.856 1.00 72.31 C ATOM 927 CE2 PHE A 61 -13.080 -19.409 -6.430 1.00 73.12 C ATOM 928 CZ PHE A 61 -13.617 -18.359 -7.150 1.00 31.34 C ATOM 0 H PHE A 61 -17.952 -20.511 -6.463 1.00 14.40 H new ATOM 0 HA PHE A 61 -17.080 -23.263 -6.031 1.00 2.42 H new ATOM 0 HB2 PHE A 61 -14.864 -22.931 -6.827 1.00 72.13 H new ATOM 0 HB3 PHE A 61 -15.918 -22.400 -8.123 1.00 72.13 H new ATOM 0 HD1 PHE A 61 -16.338 -19.903 -8.399 1.00 11.42 H new ATOM 0 HD2 PHE A 61 -13.290 -21.454 -5.858 1.00 33.11 H new ATOM 0 HE1 PHE A 61 -15.213 -17.718 -8.418 1.00 72.31 H new ATOM 0 HE2 PHE A 61 -12.164 -19.271 -5.875 1.00 73.12 H new ATOM 0 HZ PHE A 61 -13.120 -17.400 -7.161 1.00 31.34 H new ATOM 938 N GLN A 62 -15.728 -22.473 -3.992 1.00 40.32 N ATOM 939 CA GLN A 62 -15.300 -22.052 -2.663 1.00 53.13 C ATOM 940 C GLN A 62 -13.807 -22.296 -2.469 1.00 53.33 C ATOM 941 O GLN A 62 -13.313 -23.399 -2.702 1.00 13.42 O ATOM 942 CB GLN A 62 -16.095 -22.797 -1.589 1.00 44.11 C ATOM 943 CG GLN A 62 -16.946 -21.885 -0.720 1.00 23.31 C ATOM 944 CD GLN A 62 -16.169 -20.699 -0.183 1.00 74.01 C ATOM 945 OE1 GLN A 62 -16.644 -19.564 -0.220 1.00 15.45 O ATOM 946 NE2 GLN A 62 -14.968 -20.956 0.320 1.00 65.24 N ATOM 0 H GLN A 62 -15.474 -23.431 -4.233 1.00 40.32 H new ATOM 0 HA GLN A 62 -15.489 -20.983 -2.569 1.00 53.13 H new ATOM 0 HB2 GLN A 62 -16.740 -23.532 -2.071 1.00 44.11 H new ATOM 0 HB3 GLN A 62 -15.402 -23.349 -0.953 1.00 44.11 H new ATOM 0 HG2 GLN A 62 -17.796 -21.525 -1.301 1.00 23.31 H new ATOM 0 HG3 GLN A 62 -17.350 -22.458 0.115 1.00 23.31 H new ATOM 0 HE21 GLN A 62 -14.613 -21.912 0.331 1.00 65.24 H new ATOM 0 HE22 GLN A 62 -14.400 -20.197 0.696 1.00 65.24 H new ATOM 955 N ALA A 63 -13.094 -21.259 -2.042 1.00 50.23 N ATOM 956 CA ALA A 63 -11.658 -21.361 -1.816 1.00 22.14 C ATOM 957 C ALA A 63 -11.353 -21.666 -0.353 1.00 12.12 C ATOM 958 O ALA A 63 -11.800 -20.953 0.546 1.00 33.14 O ATOM 959 CB ALA A 63 -10.963 -20.077 -2.245 1.00 60.41 C ATOM 0 H ALA A 63 -13.488 -20.339 -1.846 1.00 50.23 H new ATOM 0 HA ALA A 63 -11.278 -22.186 -2.419 1.00 22.14 H new ATOM 0 HB1 ALA A 63 -9.891 -20.168 -2.070 1.00 60.41 H new ATOM 0 HB2 ALA A 63 -11.144 -19.902 -3.305 1.00 60.41 H new ATOM 0 HB3 ALA A 63 -11.355 -19.240 -1.667 1.00 60.41 H new ATOM 965 N HIS A 64 -10.590 -22.729 -0.121 1.00 73.51 N ATOM 966 CA HIS A 64 -10.226 -23.129 1.234 1.00 52.42 C ATOM 967 C HIS A 64 -8.744 -22.879 1.494 1.00 64.13 C ATOM 968 O HIS A 64 -7.893 -23.228 0.675 1.00 5.40 O ATOM 969 CB HIS A 64 -10.554 -24.605 1.459 1.00 50.13 C ATOM 970 CG HIS A 64 -12.002 -24.933 1.264 1.00 33.31 C ATOM 971 ND1 HIS A 64 -12.638 -24.838 0.044 1.00 14.35 N ATOM 972 CD2 HIS A 64 -12.939 -25.360 2.143 1.00 72.00 C ATOM 973 CE1 HIS A 64 -13.904 -25.190 0.182 1.00 53.42 C ATOM 974 NE2 HIS A 64 -14.112 -25.512 1.446 1.00 55.32 N ATOM 0 H HIS A 64 -10.212 -23.329 -0.854 1.00 73.51 H new ATOM 0 HA HIS A 64 -10.806 -22.526 1.933 1.00 52.42 H new ATOM 0 HB2 HIS A 64 -9.958 -25.210 0.776 1.00 50.13 H new ATOM 0 HB3 HIS A 64 -10.260 -24.884 2.471 1.00 50.13 H new ATOM 0 HD2 HIS A 64 -12.791 -25.546 3.196 1.00 72.00 H new ATOM 0 HE1 HIS A 64 -14.643 -25.211 -0.605 1.00 53.42 H new ATOM 0 HE2 HIS A 64 -15.000 -25.823 1.840 1.00 55.32 H new ATOM 982 N TYR A 65 -8.442 -22.274 2.637 1.00 52.42 N ATOM 983 CA TYR A 65 -7.063 -21.975 3.003 1.00 41.41 C ATOM 984 C TYR A 65 -6.637 -22.781 4.226 1.00 63.12 C ATOM 985 O TYR A 65 -7.393 -22.918 5.187 1.00 33.23 O ATOM 986 CB TYR A 65 -6.900 -20.480 3.282 1.00 42.41 C ATOM 987 CG TYR A 65 -7.370 -20.066 4.658 1.00 4.32 C ATOM 988 CD1 TYR A 65 -8.711 -19.803 4.906 1.00 11.32 C ATOM 989 CD2 TYR A 65 -6.472 -19.939 5.711 1.00 44.50 C ATOM 990 CE1 TYR A 65 -9.144 -19.424 6.162 1.00 54.41 C ATOM 991 CE2 TYR A 65 -6.896 -19.561 6.970 1.00 32.33 C ATOM 992 CZ TYR A 65 -8.233 -19.304 7.191 1.00 73.54 C ATOM 993 OH TYR A 65 -8.661 -18.928 8.443 1.00 32.42 O ATOM 0 H TYR A 65 -9.134 -21.981 3.326 1.00 52.42 H new ATOM 0 HA TYR A 65 -6.423 -22.254 2.166 1.00 41.41 H new ATOM 0 HB2 TYR A 65 -5.850 -20.210 3.170 1.00 42.41 H new ATOM 0 HB3 TYR A 65 -7.456 -19.916 2.533 1.00 42.41 H new ATOM 0 HD1 TYR A 65 -9.427 -19.896 4.103 1.00 11.32 H new ATOM 0 HD2 TYR A 65 -5.424 -20.139 5.542 1.00 44.50 H new ATOM 0 HE1 TYR A 65 -10.190 -19.223 6.337 1.00 54.41 H new ATOM 0 HE2 TYR A 65 -6.184 -19.467 7.777 1.00 32.33 H new ATOM 0 HH TYR A 65 -7.895 -18.892 9.053 1.00 32.42 H new ATOM 1003 N ARG A 66 -5.419 -23.312 4.181 1.00 33.22 N ATOM 1004 CA ARG A 66 -4.891 -24.106 5.284 1.00 10.33 C ATOM 1005 C ARG A 66 -4.455 -23.209 6.439 1.00 10.22 C ATOM 1006 O ARG A 66 -3.969 -22.099 6.227 1.00 45.35 O ATOM 1007 CB ARG A 66 -3.710 -24.955 4.810 1.00 12.11 C ATOM 1008 CG ARG A 66 -2.515 -24.135 4.352 1.00 13.22 C ATOM 1009 CD ARG A 66 -1.213 -24.692 4.905 1.00 44.30 C ATOM 1010 NE ARG A 66 -0.141 -24.664 3.913 1.00 31.21 N ATOM 1011 CZ ARG A 66 1.081 -25.134 4.138 1.00 73.50 C ATOM 1012 NH1 ARG A 66 1.384 -25.666 5.314 1.00 30.11 N ATOM 1013 NH2 ARG A 66 2.002 -25.074 3.185 1.00 1.10 N ATOM 0 H ARG A 66 -4.780 -23.207 3.393 1.00 33.22 H new ATOM 0 HA ARG A 66 -5.684 -24.765 5.637 1.00 10.33 H new ATOM 0 HB2 ARG A 66 -3.399 -25.614 5.621 1.00 12.11 H new ATOM 0 HB3 ARG A 66 -4.038 -25.593 3.989 1.00 12.11 H new ATOM 0 HG2 ARG A 66 -2.475 -24.126 3.263 1.00 13.22 H new ATOM 0 HG3 ARG A 66 -2.636 -23.101 4.675 1.00 13.22 H new ATOM 0 HD2 ARG A 66 -0.913 -24.114 5.779 1.00 44.30 H new ATOM 0 HD3 ARG A 66 -1.370 -25.717 5.240 1.00 44.30 H new ATOM 0 HE ARG A 66 -0.342 -24.262 2.997 1.00 31.21 H new ATOM 0 HH11 ARG A 66 0.678 -25.715 6.049 1.00 30.11 H new ATOM 0 HH12 ARG A 66 2.323 -26.026 5.484 1.00 30.11 H new ATOM 0 HH21 ARG A 66 1.772 -24.667 2.279 1.00 1.10 H new ATOM 0 HH22 ARG A 66 2.940 -25.435 3.359 1.00 1.10 H new ATOM 1027 N ALA A 67 -4.634 -23.698 7.662 1.00 63.42 N ATOM 1028 CA ALA A 67 -4.258 -22.942 8.850 1.00 64.31 C ATOM 1029 C ALA A 67 -3.050 -23.568 9.539 1.00 2.22 C ATOM 1030 O ALA A 67 -2.441 -24.502 9.018 1.00 53.54 O ATOM 1031 CB ALA A 67 -5.432 -22.856 9.814 1.00 44.31 C ATOM 0 H ALA A 67 -5.037 -24.615 7.856 1.00 63.42 H new ATOM 0 HA ALA A 67 -3.984 -21.934 8.538 1.00 64.31 H new ATOM 0 HB1 ALA A 67 -5.137 -22.289 10.697 1.00 44.31 H new ATOM 0 HB2 ALA A 67 -6.269 -22.357 9.325 1.00 44.31 H new ATOM 0 HB3 ALA A 67 -5.732 -23.861 10.112 1.00 44.31 H new ATOM 1037 N GLU A 68 -2.708 -23.046 10.713 1.00 33.33 N ATOM 1038 CA GLU A 68 -1.571 -23.554 11.472 1.00 14.13 C ATOM 1039 C GLU A 68 -1.676 -25.064 11.663 1.00 25.43 C ATOM 1040 O GLU A 68 -0.668 -25.772 11.659 1.00 32.05 O ATOM 1041 CB GLU A 68 -1.489 -22.861 12.834 1.00 24.21 C ATOM 1042 CG GLU A 68 -2.792 -22.895 13.614 1.00 0.23 C ATOM 1043 CD GLU A 68 -2.653 -22.312 15.007 1.00 13.42 C ATOM 1044 OE1 GLU A 68 -2.140 -21.180 15.127 1.00 4.42 O ATOM 1045 OE2 GLU A 68 -3.058 -22.987 15.977 1.00 41.44 O ATOM 0 H GLU A 68 -3.201 -22.272 11.159 1.00 33.33 H new ATOM 0 HA GLU A 68 -0.664 -23.339 10.907 1.00 14.13 H new ATOM 0 HB2 GLU A 68 -0.708 -23.336 13.427 1.00 24.21 H new ATOM 0 HB3 GLU A 68 -1.191 -21.823 12.687 1.00 24.21 H new ATOM 0 HG2 GLU A 68 -3.554 -22.340 13.066 1.00 0.23 H new ATOM 0 HG3 GLU A 68 -3.140 -23.925 13.688 1.00 0.23 H new ATOM 1052 N ARG A 69 -2.901 -25.551 11.831 1.00 50.53 N ATOM 1053 CA ARG A 69 -3.137 -26.976 12.025 1.00 15.01 C ATOM 1054 C ARG A 69 -3.042 -27.728 10.701 1.00 30.40 C ATOM 1055 O ARG A 69 -2.722 -28.916 10.672 1.00 74.11 O ATOM 1056 CB ARG A 69 -4.512 -27.205 12.656 1.00 30.22 C ATOM 1057 CG ARG A 69 -4.519 -27.064 14.170 1.00 44.35 C ATOM 1058 CD ARG A 69 -5.768 -27.678 14.781 1.00 12.41 C ATOM 1059 NE ARG A 69 -5.785 -29.132 14.648 1.00 52.25 N ATOM 1060 CZ ARG A 69 -5.067 -29.948 15.410 1.00 22.33 C ATOM 1061 NH1 ARG A 69 -4.279 -29.456 16.356 1.00 11.51 N ATOM 1062 NH2 ARG A 69 -5.136 -31.261 15.228 1.00 41.20 N ATOM 0 H ARG A 69 -3.746 -24.979 11.837 1.00 50.53 H new ATOM 0 HA ARG A 69 -2.368 -27.358 12.696 1.00 15.01 H new ATOM 0 HB2 ARG A 69 -5.221 -26.495 12.230 1.00 30.22 H new ATOM 0 HB3 ARG A 69 -4.862 -28.203 12.391 1.00 30.22 H new ATOM 0 HG2 ARG A 69 -3.634 -27.547 14.585 1.00 44.35 H new ATOM 0 HG3 ARG A 69 -4.462 -26.009 14.438 1.00 44.35 H new ATOM 0 HD2 ARG A 69 -5.825 -27.410 15.836 1.00 12.41 H new ATOM 0 HD3 ARG A 69 -6.651 -27.260 14.298 1.00 12.41 H new ATOM 0 HE ARG A 69 -6.381 -29.543 13.930 1.00 52.25 H new ATOM 0 HH11 ARG A 69 -4.223 -28.448 16.500 1.00 11.51 H new ATOM 0 HH12 ARG A 69 -3.729 -30.086 16.940 1.00 11.51 H new ATOM 0 HH21 ARG A 69 -5.741 -31.644 14.502 1.00 41.20 H new ATOM 0 HH22 ARG A 69 -4.584 -31.887 15.814 1.00 41.20 H new ATOM 1076 N GLY A 70 -3.322 -27.028 9.606 1.00 13.32 N ATOM 1077 CA GLY A 70 -3.263 -27.646 8.295 1.00 51.25 C ATOM 1078 C GLY A 70 -4.638 -27.886 7.704 1.00 13.12 C ATOM 1079 O GLY A 70 -4.798 -27.935 6.484 1.00 23.24 O ATOM 0 H GLY A 70 -3.589 -26.043 9.604 1.00 13.32 H new ATOM 0 HA2 GLY A 70 -2.688 -27.009 7.622 1.00 51.25 H new ATOM 0 HA3 GLY A 70 -2.732 -28.595 8.368 1.00 51.25 H new ATOM 1083 N ASP A 71 -5.634 -28.037 8.570 1.00 20.45 N ATOM 1084 CA ASP A 71 -7.003 -28.275 8.128 1.00 51.41 C ATOM 1085 C ASP A 71 -7.436 -27.222 7.112 1.00 62.21 C ATOM 1086 O ASP A 71 -6.841 -26.147 7.024 1.00 13.12 O ATOM 1087 CB ASP A 71 -7.956 -28.269 9.324 1.00 75.21 C ATOM 1088 CG ASP A 71 -7.743 -29.459 10.240 1.00 54.55 C ATOM 1089 OD1 ASP A 71 -7.209 -30.483 9.766 1.00 12.01 O ATOM 1090 OD2 ASP A 71 -8.112 -29.365 11.429 1.00 23.24 O ATOM 0 H ASP A 71 -5.519 -27.999 9.583 1.00 20.45 H new ATOM 0 HA ASP A 71 -7.039 -29.254 7.649 1.00 51.41 H new ATOM 0 HB2 ASP A 71 -7.817 -27.348 9.891 1.00 75.21 H new ATOM 0 HB3 ASP A 71 -8.985 -28.270 8.965 1.00 75.21 H new ATOM 1095 N LEU A 72 -8.473 -27.539 6.345 1.00 15.03 N ATOM 1096 CA LEU A 72 -8.986 -26.621 5.334 1.00 62.13 C ATOM 1097 C LEU A 72 -10.088 -25.738 5.908 1.00 15.35 C ATOM 1098 O LEU A 72 -11.003 -26.223 6.575 1.00 2.41 O ATOM 1099 CB LEU A 72 -9.517 -27.402 4.131 1.00 74.14 C ATOM 1100 CG LEU A 72 -8.487 -27.774 3.064 1.00 72.14 C ATOM 1101 CD1 LEU A 72 -9.138 -28.583 1.952 1.00 11.31 C ATOM 1102 CD2 LEU A 72 -7.828 -26.524 2.500 1.00 2.20 C ATOM 0 H LEU A 72 -8.975 -28.425 6.404 1.00 15.03 H new ATOM 0 HA LEU A 72 -8.165 -25.981 5.011 1.00 62.13 H new ATOM 0 HB2 LEU A 72 -9.981 -28.319 4.495 1.00 74.14 H new ATOM 0 HB3 LEU A 72 -10.303 -26.813 3.659 1.00 74.14 H new ATOM 0 HG LEU A 72 -7.716 -28.389 3.529 1.00 72.14 H new ATOM 0 HD11 LEU A 72 -8.390 -28.839 1.202 1.00 11.31 H new ATOM 0 HD12 LEU A 72 -9.562 -29.497 2.368 1.00 11.31 H new ATOM 0 HD13 LEU A 72 -9.929 -27.994 1.489 1.00 11.31 H new ATOM 0 HD21 LEU A 72 -7.098 -26.808 1.742 1.00 2.20 H new ATOM 0 HD22 LEU A 72 -8.587 -25.884 2.051 1.00 2.20 H new ATOM 0 HD23 LEU A 72 -7.326 -25.984 3.303 1.00 2.20 H new ATOM 1114 N VAL A 73 -9.997 -24.438 5.644 1.00 61.31 N ATOM 1115 CA VAL A 73 -10.988 -23.487 6.132 1.00 74.03 C ATOM 1116 C VAL A 73 -11.532 -22.629 4.995 1.00 14.22 C ATOM 1117 O VAL A 73 -10.882 -21.682 4.553 1.00 74.22 O ATOM 1118 CB VAL A 73 -10.398 -22.568 7.217 1.00 4.32 C ATOM 1119 CG1 VAL A 73 -11.484 -21.694 7.826 1.00 24.02 C ATOM 1120 CG2 VAL A 73 -9.700 -23.390 8.290 1.00 62.54 C ATOM 0 H VAL A 73 -9.246 -24.020 5.094 1.00 61.31 H new ATOM 0 HA VAL A 73 -11.801 -24.071 6.564 1.00 74.03 H new ATOM 0 HB VAL A 73 -9.658 -21.916 6.752 1.00 4.32 H new ATOM 0 HG11 VAL A 73 -11.048 -21.051 8.591 1.00 24.02 H new ATOM 0 HG12 VAL A 73 -11.934 -21.078 7.048 1.00 24.02 H new ATOM 0 HG13 VAL A 73 -12.250 -22.326 8.276 1.00 24.02 H new ATOM 0 HG21 VAL A 73 -9.289 -22.724 9.049 1.00 62.54 H new ATOM 0 HG22 VAL A 73 -10.417 -24.068 8.753 1.00 62.54 H new ATOM 0 HG23 VAL A 73 -8.893 -23.967 7.839 1.00 62.54 H new ATOM 1130 N ALA A 74 -12.730 -22.966 4.527 1.00 24.21 N ATOM 1131 CA ALA A 74 -13.363 -22.225 3.444 1.00 42.15 C ATOM 1132 C ALA A 74 -13.559 -20.761 3.821 1.00 10.34 C ATOM 1133 O ALA A 74 -14.433 -20.427 4.622 1.00 74.44 O ATOM 1134 CB ALA A 74 -14.696 -22.861 3.078 1.00 43.24 C ATOM 0 H ALA A 74 -13.281 -23.748 4.882 1.00 24.21 H new ATOM 0 HA ALA A 74 -12.704 -22.264 2.577 1.00 42.15 H new ATOM 0 HB1 ALA A 74 -15.158 -22.297 2.268 1.00 43.24 H new ATOM 0 HB2 ALA A 74 -14.532 -23.890 2.757 1.00 43.24 H new ATOM 0 HB3 ALA A 74 -15.354 -22.852 3.947 1.00 43.24 H new ATOM 1140 N PHE A 75 -12.740 -19.890 3.241 1.00 3.24 N ATOM 1141 CA PHE A 75 -12.822 -18.461 3.519 1.00 54.40 C ATOM 1142 C PHE A 75 -13.763 -17.769 2.537 1.00 73.34 C ATOM 1143 O PHE A 75 -13.876 -18.173 1.379 1.00 20.43 O ATOM 1144 CB PHE A 75 -11.433 -17.824 3.446 1.00 61.14 C ATOM 1145 CG PHE A 75 -10.886 -17.737 2.049 1.00 32.43 C ATOM 1146 CD1 PHE A 75 -11.185 -16.653 1.240 1.00 3.35 C ATOM 1147 CD2 PHE A 75 -10.074 -18.740 1.546 1.00 65.22 C ATOM 1148 CE1 PHE A 75 -10.684 -16.571 -0.045 1.00 4.11 C ATOM 1149 CE2 PHE A 75 -9.569 -18.664 0.261 1.00 11.32 C ATOM 1150 CZ PHE A 75 -9.874 -17.577 -0.535 1.00 2.02 C ATOM 0 H PHE A 75 -12.012 -20.149 2.575 1.00 3.24 H new ATOM 0 HA PHE A 75 -13.219 -18.335 4.526 1.00 54.40 H new ATOM 0 HB2 PHE A 75 -11.479 -16.822 3.873 1.00 61.14 H new ATOM 0 HB3 PHE A 75 -10.744 -18.402 4.062 1.00 61.14 H new ATOM 0 HD1 PHE A 75 -11.817 -15.863 1.618 1.00 3.35 H new ATOM 0 HD2 PHE A 75 -9.832 -19.592 2.165 1.00 65.22 H new ATOM 0 HE1 PHE A 75 -10.925 -15.721 -0.666 1.00 4.11 H new ATOM 0 HE2 PHE A 75 -8.937 -19.453 -0.120 1.00 11.32 H new ATOM 0 HZ PHE A 75 -9.480 -17.514 -1.539 1.00 2.02 H new ATOM 1160 N SER A 76 -14.438 -16.725 3.007 1.00 25.03 N ATOM 1161 CA SER A 76 -15.372 -15.979 2.173 1.00 74.52 C ATOM 1162 C SER A 76 -15.722 -14.639 2.813 1.00 70.25 C ATOM 1163 O SER A 76 -16.803 -14.095 2.588 1.00 10.10 O ATOM 1164 CB SER A 76 -16.646 -16.795 1.943 1.00 70.33 C ATOM 1165 OG SER A 76 -17.407 -16.900 3.134 1.00 65.31 O ATOM 0 H SER A 76 -14.355 -16.377 3.962 1.00 25.03 H new ATOM 0 HA SER A 76 -14.892 -15.789 1.213 1.00 74.52 H new ATOM 0 HB2 SER A 76 -17.247 -16.325 1.164 1.00 70.33 H new ATOM 0 HB3 SER A 76 -16.384 -17.791 1.586 1.00 70.33 H new ATOM 0 HG SER A 76 -18.216 -17.424 2.960 1.00 65.31 H new ATOM 1171 N SER A 77 -14.799 -14.113 3.611 1.00 43.02 N ATOM 1172 CA SER A 77 -15.009 -12.838 4.287 1.00 35.31 C ATOM 1173 C SER A 77 -13.679 -12.154 4.584 1.00 65.13 C ATOM 1174 O SER A 77 -12.650 -12.813 4.736 1.00 3.10 O ATOM 1175 CB SER A 77 -15.788 -13.049 5.587 1.00 73.21 C ATOM 1176 OG SER A 77 -17.129 -13.425 5.323 1.00 41.00 O ATOM 0 H SER A 77 -13.898 -14.550 3.806 1.00 43.02 H new ATOM 0 HA SER A 77 -15.588 -12.195 3.624 1.00 35.31 H new ATOM 0 HB2 SER A 77 -15.302 -13.820 6.185 1.00 73.21 H new ATOM 0 HB3 SER A 77 -15.773 -12.132 6.176 1.00 73.21 H new ATOM 0 HG SER A 77 -17.244 -13.574 4.361 1.00 41.00 H new ATOM 1182 N ASP A 78 -13.707 -10.828 4.664 1.00 72.50 N ATOM 1183 CA ASP A 78 -12.504 -10.053 4.943 1.00 30.23 C ATOM 1184 C ASP A 78 -11.816 -10.554 6.210 1.00 75.24 C ATOM 1185 O ASP A 78 -10.591 -10.647 6.266 1.00 62.01 O ATOM 1186 CB ASP A 78 -12.849 -8.570 5.088 1.00 33.22 C ATOM 1187 CG ASP A 78 -11.644 -7.729 5.459 1.00 10.31 C ATOM 1188 OD1 ASP A 78 -10.506 -8.194 5.241 1.00 32.31 O ATOM 1189 OD2 ASP A 78 -11.839 -6.605 5.968 1.00 4.21 O ATOM 0 H ASP A 78 -14.550 -10.268 4.539 1.00 72.50 H new ATOM 0 HA ASP A 78 -11.819 -10.178 4.105 1.00 30.23 H new ATOM 0 HB2 ASP A 78 -13.269 -8.204 4.151 1.00 33.22 H new ATOM 0 HB3 ASP A 78 -13.619 -8.452 5.850 1.00 33.22 H new ATOM 1194 N GLU A 79 -12.615 -10.874 7.223 1.00 22.52 N ATOM 1195 CA GLU A 79 -12.082 -11.364 8.489 1.00 2.02 C ATOM 1196 C GLU A 79 -11.319 -12.670 8.289 1.00 25.25 C ATOM 1197 O GLU A 79 -10.431 -13.008 9.072 1.00 11.32 O ATOM 1198 CB GLU A 79 -13.213 -11.571 9.498 1.00 12.14 C ATOM 1199 CG GLU A 79 -14.250 -12.587 9.051 1.00 61.54 C ATOM 1200 CD GLU A 79 -15.134 -13.060 10.189 1.00 44.41 C ATOM 1201 OE1 GLU A 79 -14.587 -13.422 11.252 1.00 74.41 O ATOM 1202 OE2 GLU A 79 -16.370 -13.067 10.017 1.00 53.30 O ATOM 0 H GLU A 79 -13.632 -10.803 7.192 1.00 22.52 H new ATOM 0 HA GLU A 79 -11.391 -10.615 8.877 1.00 2.02 H new ATOM 0 HB2 GLU A 79 -12.786 -11.894 10.448 1.00 12.14 H new ATOM 0 HB3 GLU A 79 -13.707 -10.616 9.678 1.00 12.14 H new ATOM 0 HG2 GLU A 79 -14.872 -12.146 8.272 1.00 61.54 H new ATOM 0 HG3 GLU A 79 -13.745 -13.445 8.608 1.00 61.54 H new ATOM 1209 N GLU A 80 -11.672 -13.400 7.236 1.00 22.21 N ATOM 1210 CA GLU A 80 -11.021 -14.670 6.935 1.00 51.25 C ATOM 1211 C GLU A 80 -9.683 -14.443 6.237 1.00 23.14 C ATOM 1212 O GLU A 80 -8.732 -15.201 6.433 1.00 63.24 O ATOM 1213 CB GLU A 80 -11.926 -15.536 6.056 1.00 60.01 C ATOM 1214 CG GLU A 80 -13.260 -15.873 6.701 1.00 3.33 C ATOM 1215 CD GLU A 80 -13.101 -16.565 8.041 1.00 12.22 C ATOM 1216 OE1 GLU A 80 -12.022 -17.142 8.288 1.00 45.54 O ATOM 1217 OE2 GLU A 80 -14.058 -16.529 8.843 1.00 23.15 O ATOM 0 H GLU A 80 -12.404 -13.134 6.578 1.00 22.21 H new ATOM 0 HA GLU A 80 -10.837 -15.187 7.877 1.00 51.25 H new ATOM 0 HB2 GLU A 80 -12.108 -15.017 5.115 1.00 60.01 H new ATOM 0 HB3 GLU A 80 -11.405 -16.462 5.814 1.00 60.01 H new ATOM 0 HG2 GLU A 80 -13.836 -14.958 6.835 1.00 3.33 H new ATOM 0 HG3 GLU A 80 -13.832 -16.514 6.031 1.00 3.33 H new ATOM 1224 N LEU A 81 -9.617 -13.395 5.423 1.00 24.34 N ATOM 1225 CA LEU A 81 -8.395 -13.068 4.696 1.00 53.32 C ATOM 1226 C LEU A 81 -7.334 -12.509 5.638 1.00 44.14 C ATOM 1227 O LEU A 81 -6.198 -12.986 5.665 1.00 53.45 O ATOM 1228 CB LEU A 81 -8.694 -12.056 3.588 1.00 11.11 C ATOM 1229 CG LEU A 81 -9.267 -12.630 2.292 1.00 54.32 C ATOM 1230 CD1 LEU A 81 -8.328 -13.673 1.708 1.00 24.34 C ATOM 1231 CD2 LEU A 81 -10.645 -13.227 2.537 1.00 73.53 C ATOM 0 H LEU A 81 -10.394 -12.758 5.250 1.00 24.34 H new ATOM 0 HA LEU A 81 -8.010 -13.985 4.249 1.00 53.32 H new ATOM 0 HB2 LEU A 81 -9.396 -11.318 3.977 1.00 11.11 H new ATOM 0 HB3 LEU A 81 -7.772 -11.525 3.350 1.00 11.11 H new ATOM 0 HG LEU A 81 -9.367 -11.819 1.571 1.00 54.32 H new ATOM 0 HD11 LEU A 81 -8.753 -14.070 0.786 1.00 24.34 H new ATOM 0 HD12 LEU A 81 -7.362 -13.214 1.494 1.00 24.34 H new ATOM 0 HD13 LEU A 81 -8.194 -14.484 2.424 1.00 24.34 H new ATOM 0 HD21 LEU A 81 -11.038 -13.631 1.604 1.00 73.53 H new ATOM 0 HD22 LEU A 81 -10.570 -14.026 3.275 1.00 73.53 H new ATOM 0 HD23 LEU A 81 -11.316 -12.453 2.908 1.00 73.53 H new ATOM 1243 N THR A 82 -7.710 -11.496 6.412 1.00 54.12 N ATOM 1244 CA THR A 82 -6.792 -10.873 7.356 1.00 2.21 C ATOM 1245 C THR A 82 -6.130 -11.916 8.249 1.00 12.14 C ATOM 1246 O THR A 82 -4.994 -11.740 8.688 1.00 11.24 O ATOM 1247 CB THR A 82 -7.512 -9.838 8.241 1.00 31.11 C ATOM 1248 OG1 THR A 82 -6.552 -9.031 8.932 1.00 21.43 O ATOM 1249 CG2 THR A 82 -8.422 -10.527 9.247 1.00 2.44 C ATOM 0 H THR A 82 -8.645 -11.089 6.403 1.00 54.12 H new ATOM 0 HA THR A 82 -6.028 -10.366 6.766 1.00 2.21 H new ATOM 0 HB THR A 82 -8.122 -9.204 7.598 1.00 31.11 H new ATOM 0 HG1 THR A 82 -7.018 -8.375 9.491 1.00 21.43 H new ATOM 0 HG21 THR A 82 -8.920 -9.776 9.861 1.00 2.44 H new ATOM 0 HG22 THR A 82 -9.170 -11.117 8.717 1.00 2.44 H new ATOM 0 HG23 THR A 82 -7.829 -11.182 9.885 1.00 2.44 H new ATOM 1257 N MET A 83 -6.848 -13.003 8.514 1.00 40.41 N ATOM 1258 CA MET A 83 -6.328 -14.075 9.354 1.00 33.40 C ATOM 1259 C MET A 83 -5.450 -15.024 8.544 1.00 55.24 C ATOM 1260 O MET A 83 -4.378 -15.428 8.992 1.00 12.34 O ATOM 1261 CB MET A 83 -7.479 -14.851 9.997 1.00 32.43 C ATOM 1262 CG MET A 83 -7.151 -15.391 11.380 1.00 44.21 C ATOM 1263 SD MET A 83 -7.549 -14.222 12.694 1.00 20.31 S ATOM 1264 CE MET A 83 -9.339 -14.297 12.682 1.00 5.23 C ATOM 0 H MET A 83 -7.791 -13.164 8.159 1.00 40.41 H new ATOM 0 HA MET A 83 -5.719 -13.625 10.138 1.00 33.40 H new ATOM 0 HB2 MET A 83 -8.350 -14.200 10.068 1.00 32.43 H new ATOM 0 HB3 MET A 83 -7.754 -15.682 9.347 1.00 32.43 H new ATOM 0 HG2 MET A 83 -7.701 -16.317 11.544 1.00 44.21 H new ATOM 0 HG3 MET A 83 -6.090 -15.638 11.427 1.00 44.21 H new ATOM 0 HE1 MET A 83 -9.724 -13.945 13.639 1.00 5.23 H new ATOM 0 HE2 MET A 83 -9.724 -13.666 11.881 1.00 5.23 H new ATOM 0 HE3 MET A 83 -9.659 -15.326 12.519 1.00 5.23 H new ATOM 1274 N ALA A 84 -5.913 -15.375 7.348 1.00 31.34 N ATOM 1275 CA ALA A 84 -5.169 -16.275 6.475 1.00 0.45 C ATOM 1276 C ALA A 84 -3.787 -15.714 6.159 1.00 2.40 C ATOM 1277 O ALA A 84 -2.838 -16.465 5.936 1.00 1.24 O ATOM 1278 CB ALA A 84 -5.945 -16.526 5.191 1.00 33.03 C ATOM 0 H ALA A 84 -6.799 -15.050 6.962 1.00 31.34 H new ATOM 0 HA ALA A 84 -5.037 -17.222 6.998 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -5.378 -17.200 4.549 1.00 33.03 H new ATOM 0 HB2 ALA A 84 -6.908 -16.978 5.430 1.00 33.03 H new ATOM 0 HB3 ALA A 84 -6.106 -15.581 4.673 1.00 33.03 H new ATOM 1284 N MET A 85 -3.681 -14.389 6.140 1.00 11.12 N ATOM 1285 CA MET A 85 -2.414 -13.728 5.851 1.00 2.21 C ATOM 1286 C MET A 85 -1.471 -13.813 7.047 1.00 21.31 C ATOM 1287 O MET A 85 -0.254 -13.700 6.900 1.00 51.45 O ATOM 1288 CB MET A 85 -2.651 -12.263 5.478 1.00 75.31 C ATOM 1289 CG MET A 85 -3.197 -12.075 4.072 1.00 62.45 C ATOM 1290 SD MET A 85 -1.936 -12.300 2.802 1.00 33.20 S ATOM 1291 CE MET A 85 -2.922 -12.143 1.315 1.00 42.23 C ATOM 0 H MET A 85 -4.457 -13.753 6.321 1.00 11.12 H new ATOM 0 HA MET A 85 -1.951 -14.240 5.008 1.00 2.21 H new ATOM 0 HB2 MET A 85 -3.348 -11.823 6.191 1.00 75.31 H new ATOM 0 HB3 MET A 85 -1.712 -11.717 5.571 1.00 75.31 H new ATOM 0 HG2 MET A 85 -4.008 -12.784 3.903 1.00 62.45 H new ATOM 0 HG3 MET A 85 -3.623 -11.076 3.982 1.00 62.45 H new ATOM 0 HE1 MET A 85 -2.282 -12.259 0.440 1.00 42.23 H new ATOM 0 HE2 MET A 85 -3.692 -12.914 1.306 1.00 42.23 H new ATOM 0 HE3 MET A 85 -3.393 -11.160 1.293 1.00 42.23 H new ATOM 1301 N SER A 86 -2.041 -14.014 8.231 1.00 4.12 N ATOM 1302 CA SER A 86 -1.251 -14.110 9.453 1.00 24.41 C ATOM 1303 C SER A 86 -0.421 -15.391 9.464 1.00 42.42 C ATOM 1304 O SER A 86 0.599 -15.477 10.149 1.00 74.22 O ATOM 1305 CB SER A 86 -2.163 -14.071 10.680 1.00 14.51 C ATOM 1306 OG SER A 86 -1.444 -13.685 11.839 1.00 71.14 O ATOM 0 H SER A 86 -3.047 -14.113 8.370 1.00 4.12 H new ATOM 0 HA SER A 86 -0.573 -13.257 9.485 1.00 24.41 H new ATOM 0 HB2 SER A 86 -2.981 -13.372 10.507 1.00 14.51 H new ATOM 0 HB3 SER A 86 -2.610 -15.053 10.836 1.00 14.51 H new ATOM 0 HG SER A 86 -2.050 -13.666 12.609 1.00 71.14 H new ATOM 1312 N TYR A 87 -0.865 -16.382 8.700 1.00 72.30 N ATOM 1313 CA TYR A 87 -0.166 -17.660 8.622 1.00 12.45 C ATOM 1314 C TYR A 87 0.876 -17.644 7.508 1.00 14.31 C ATOM 1315 O TYR A 87 1.819 -18.434 7.513 1.00 24.11 O ATOM 1316 CB TYR A 87 -1.162 -18.797 8.389 1.00 53.55 C ATOM 1317 CG TYR A 87 -2.240 -18.885 9.446 1.00 42.34 C ATOM 1318 CD1 TYR A 87 -3.413 -18.150 9.333 1.00 53.33 C ATOM 1319 CD2 TYR A 87 -2.084 -19.704 10.557 1.00 74.20 C ATOM 1320 CE1 TYR A 87 -4.400 -18.227 10.297 1.00 41.34 C ATOM 1321 CE2 TYR A 87 -3.066 -19.789 11.525 1.00 14.41 C ATOM 1322 CZ TYR A 87 -4.222 -19.048 11.391 1.00 40.44 C ATOM 1323 OH TYR A 87 -5.203 -19.128 12.352 1.00 30.22 O ATOM 0 H TYR A 87 -1.706 -16.326 8.125 1.00 72.30 H new ATOM 0 HA TYR A 87 0.346 -17.824 9.570 1.00 12.45 H new ATOM 0 HB2 TYR A 87 -1.631 -18.664 7.414 1.00 53.55 H new ATOM 0 HB3 TYR A 87 -0.620 -19.742 8.355 1.00 53.55 H new ATOM 0 HD1 TYR A 87 -3.556 -17.507 8.477 1.00 53.33 H new ATOM 0 HD2 TYR A 87 -1.180 -20.284 10.666 1.00 74.20 H new ATOM 0 HE1 TYR A 87 -5.306 -17.648 10.194 1.00 41.34 H new ATOM 0 HE2 TYR A 87 -2.929 -20.432 12.382 1.00 14.41 H new ATOM 0 HH TYR A 87 -4.922 -19.751 13.055 1.00 30.22 H new ATOM 1333 N VAL A 88 0.697 -16.737 6.553 1.00 42.50 N ATOM 1334 CA VAL A 88 1.622 -16.615 5.432 1.00 55.30 C ATOM 1335 C VAL A 88 2.960 -16.042 5.883 1.00 24.04 C ATOM 1336 O VAL A 88 3.208 -14.842 5.763 1.00 54.03 O ATOM 1337 CB VAL A 88 1.041 -15.720 4.321 1.00 43.32 C ATOM 1338 CG1 VAL A 88 2.033 -15.579 3.176 1.00 74.53 C ATOM 1339 CG2 VAL A 88 -0.284 -16.279 3.824 1.00 4.25 C ATOM 0 H VAL A 88 -0.080 -16.076 6.533 1.00 42.50 H new ATOM 0 HA VAL A 88 1.775 -17.619 5.037 1.00 55.30 H new ATOM 0 HB VAL A 88 0.858 -14.729 4.736 1.00 43.32 H new ATOM 0 HG11 VAL A 88 1.606 -14.944 2.400 1.00 74.53 H new ATOM 0 HG12 VAL A 88 2.955 -15.130 3.546 1.00 74.53 H new ATOM 0 HG13 VAL A 88 2.251 -16.563 2.760 1.00 74.53 H new ATOM 0 HG21 VAL A 88 -0.680 -15.634 3.040 1.00 4.25 H new ATOM 0 HG22 VAL A 88 -0.129 -17.282 3.426 1.00 4.25 H new ATOM 0 HG23 VAL A 88 -0.993 -16.322 4.650 1.00 4.25 H new ATOM 1349 N LYS A 89 3.823 -16.908 6.404 1.00 32.41 N ATOM 1350 CA LYS A 89 5.139 -16.491 6.873 1.00 52.12 C ATOM 1351 C LYS A 89 5.996 -15.993 5.714 1.00 43.41 C ATOM 1352 O LYS A 89 6.922 -15.205 5.908 1.00 25.24 O ATOM 1353 CB LYS A 89 5.843 -17.651 7.580 1.00 32.20 C ATOM 1354 CG LYS A 89 5.674 -17.636 9.089 1.00 12.14 C ATOM 1355 CD LYS A 89 4.346 -18.244 9.508 1.00 55.31 C ATOM 1356 CE LYS A 89 4.352 -19.757 9.353 1.00 14.14 C ATOM 1357 NZ LYS A 89 5.339 -20.403 10.262 1.00 35.31 N ATOM 0 H LYS A 89 3.634 -17.904 6.512 1.00 32.41 H new ATOM 0 HA LYS A 89 5.003 -15.672 7.580 1.00 52.12 H new ATOM 0 HB2 LYS A 89 5.456 -18.592 7.189 1.00 32.20 H new ATOM 0 HB3 LYS A 89 6.906 -17.619 7.342 1.00 32.20 H new ATOM 0 HG2 LYS A 89 6.491 -18.189 9.553 1.00 12.14 H new ATOM 0 HG3 LYS A 89 5.736 -16.610 9.453 1.00 12.14 H new ATOM 0 HD2 LYS A 89 4.137 -17.984 10.546 1.00 55.31 H new ATOM 0 HD3 LYS A 89 3.544 -17.819 8.905 1.00 55.31 H new ATOM 0 HE2 LYS A 89 3.356 -20.148 9.562 1.00 14.14 H new ATOM 0 HE3 LYS A 89 4.586 -20.015 8.320 1.00 14.14 H new ATOM 0 HZ1 LYS A 89 5.093 -21.406 10.385 1.00 35.31 H new ATOM 0 HZ2 LYS A 89 6.291 -20.328 9.850 1.00 35.31 H new ATOM 0 HZ3 LYS A 89 5.323 -19.927 11.186 1.00 35.31 H new ATOM 1371 N ASP A 90 5.681 -16.455 4.509 1.00 30.22 N ATOM 1372 CA ASP A 90 6.421 -16.054 3.318 1.00 22.24 C ATOM 1373 C ASP A 90 5.664 -14.981 2.543 1.00 14.44 C ATOM 1374 O ASP A 90 4.683 -14.421 3.035 1.00 23.33 O ATOM 1375 CB ASP A 90 6.677 -17.265 2.419 1.00 2.23 C ATOM 1376 CG ASP A 90 7.098 -18.491 3.205 1.00 31.03 C ATOM 1377 OD1 ASP A 90 8.315 -18.672 3.415 1.00 4.21 O ATOM 1378 OD2 ASP A 90 6.210 -19.270 3.610 1.00 74.52 O ATOM 0 H ASP A 90 4.918 -17.108 4.331 1.00 30.22 H new ATOM 0 HA ASP A 90 7.377 -15.639 3.637 1.00 22.24 H new ATOM 0 HB2 ASP A 90 5.773 -17.492 1.854 1.00 2.23 H new ATOM 0 HB3 ASP A 90 7.452 -17.018 1.694 1.00 2.23 H new ATOM 1383 N ASP A 91 6.125 -14.697 1.330 1.00 21.34 N ATOM 1384 CA ASP A 91 5.491 -13.691 0.487 1.00 2.51 C ATOM 1385 C ASP A 91 4.622 -14.346 -0.582 1.00 10.14 C ATOM 1386 O ASP A 91 4.410 -13.781 -1.655 1.00 73.10 O ATOM 1387 CB ASP A 91 6.551 -12.806 -0.172 1.00 13.33 C ATOM 1388 CG ASP A 91 7.095 -11.753 0.774 1.00 52.34 C ATOM 1389 OD1 ASP A 91 6.293 -10.941 1.283 1.00 65.11 O ATOM 1390 OD2 ASP A 91 8.322 -11.741 1.005 1.00 53.32 O ATOM 0 H ASP A 91 6.936 -15.150 0.909 1.00 21.34 H new ATOM 0 HA ASP A 91 4.853 -13.073 1.119 1.00 2.51 H new ATOM 0 HB2 ASP A 91 7.371 -13.430 -0.527 1.00 13.33 H new ATOM 0 HB3 ASP A 91 6.120 -12.318 -1.046 1.00 13.33 H new ATOM 1395 N ILE A 92 4.123 -15.540 -0.281 1.00 21.03 N ATOM 1396 CA ILE A 92 3.277 -16.272 -1.216 1.00 2.35 C ATOM 1397 C ILE A 92 1.998 -16.752 -0.539 1.00 72.11 C ATOM 1398 O ILE A 92 2.036 -17.320 0.553 1.00 55.03 O ATOM 1399 CB ILE A 92 4.016 -17.484 -1.812 1.00 74.43 C ATOM 1400 CG1 ILE A 92 5.297 -17.033 -2.516 1.00 60.11 C ATOM 1401 CG2 ILE A 92 3.110 -18.233 -2.778 1.00 73.14 C ATOM 1402 CD1 ILE A 92 6.115 -18.177 -3.073 1.00 44.21 C ATOM 0 H ILE A 92 4.290 -16.021 0.603 1.00 21.03 H new ATOM 0 HA ILE A 92 3.022 -15.581 -2.020 1.00 2.35 H new ATOM 0 HB ILE A 92 4.289 -18.159 -1.001 1.00 74.43 H new ATOM 0 HG12 ILE A 92 5.036 -16.354 -3.328 1.00 60.11 H new ATOM 0 HG13 ILE A 92 5.909 -16.468 -1.813 1.00 60.11 H new ATOM 0 HG21 ILE A 92 3.646 -19.087 -3.191 1.00 73.14 H new ATOM 0 HG22 ILE A 92 2.224 -18.582 -2.249 1.00 73.14 H new ATOM 0 HG23 ILE A 92 2.810 -17.567 -3.587 1.00 73.14 H new ATOM 0 HD11 ILE A 92 7.008 -17.783 -3.558 1.00 44.21 H new ATOM 0 HD12 ILE A 92 6.407 -18.844 -2.262 1.00 44.21 H new ATOM 0 HD13 ILE A 92 5.520 -18.729 -3.801 1.00 44.21 H new ATOM 1414 N PHE A 93 0.866 -16.522 -1.196 1.00 34.03 N ATOM 1415 CA PHE A 93 -0.427 -16.932 -0.659 1.00 24.15 C ATOM 1416 C PHE A 93 -0.931 -18.191 -1.358 1.00 15.05 C ATOM 1417 O PHE A 93 -1.230 -18.173 -2.552 1.00 31.33 O ATOM 1418 CB PHE A 93 -1.449 -15.804 -0.814 1.00 64.00 C ATOM 1419 CG PHE A 93 -2.729 -16.048 -0.068 1.00 72.31 C ATOM 1420 CD1 PHE A 93 -2.708 -16.502 1.241 1.00 70.31 C ATOM 1421 CD2 PHE A 93 -3.954 -15.823 -0.675 1.00 60.44 C ATOM 1422 CE1 PHE A 93 -3.885 -16.729 1.929 1.00 1.42 C ATOM 1423 CE2 PHE A 93 -5.134 -16.047 0.008 1.00 33.50 C ATOM 1424 CZ PHE A 93 -5.100 -16.500 1.312 1.00 5.25 C ATOM 0 H PHE A 93 0.817 -16.054 -2.101 1.00 34.03 H new ATOM 0 HA PHE A 93 -0.299 -17.153 0.401 1.00 24.15 H new ATOM 0 HB2 PHE A 93 -1.006 -14.872 -0.463 1.00 64.00 H new ATOM 0 HB3 PHE A 93 -1.674 -15.671 -1.872 1.00 64.00 H new ATOM 0 HD1 PHE A 93 -1.761 -16.680 1.729 1.00 70.31 H new ATOM 0 HD2 PHE A 93 -3.987 -15.468 -1.695 1.00 60.44 H new ATOM 0 HE1 PHE A 93 -3.855 -17.085 2.948 1.00 1.42 H new ATOM 0 HE2 PHE A 93 -6.082 -15.868 -0.478 1.00 33.50 H new ATOM 0 HZ PHE A 93 -6.021 -16.675 1.848 1.00 5.25 H new ATOM 1434 N ARG A 94 -1.023 -19.282 -0.604 1.00 74.25 N ATOM 1435 CA ARG A 94 -1.490 -20.551 -1.151 1.00 50.42 C ATOM 1436 C ARG A 94 -2.935 -20.821 -0.741 1.00 25.04 C ATOM 1437 O ARG A 94 -3.270 -20.788 0.444 1.00 50.23 O ATOM 1438 CB ARG A 94 -0.592 -21.695 -0.679 1.00 24.20 C ATOM 1439 CG ARG A 94 -0.351 -21.701 0.822 1.00 71.32 C ATOM 1440 CD ARG A 94 0.913 -20.939 1.187 1.00 51.44 C ATOM 1441 NE ARG A 94 0.768 -20.208 2.443 1.00 62.21 N ATOM 1442 CZ ARG A 94 0.919 -20.766 3.639 1.00 72.11 C ATOM 1443 NH1 ARG A 94 1.218 -22.054 3.741 1.00 54.15 N ATOM 1444 NH2 ARG A 94 0.771 -20.035 4.737 1.00 61.44 N ATOM 0 H ARG A 94 -0.781 -19.313 0.386 1.00 74.25 H new ATOM 0 HA ARG A 94 -1.445 -20.488 -2.238 1.00 50.42 H new ATOM 0 HB2 ARG A 94 -1.043 -22.644 -0.970 1.00 24.20 H new ATOM 0 HB3 ARG A 94 0.367 -21.628 -1.192 1.00 24.20 H new ATOM 0 HG2 ARG A 94 -1.206 -21.255 1.330 1.00 71.32 H new ATOM 0 HG3 ARG A 94 -0.272 -22.729 1.175 1.00 71.32 H new ATOM 0 HD2 ARG A 94 1.746 -21.637 1.268 1.00 51.44 H new ATOM 0 HD3 ARG A 94 1.159 -20.240 0.387 1.00 51.44 H new ATOM 0 HE ARG A 94 0.538 -19.215 2.399 1.00 62.21 H new ATOM 0 HH11 ARG A 94 1.333 -22.619 2.900 1.00 54.15 H new ATOM 0 HH12 ARG A 94 1.333 -22.479 4.661 1.00 54.15 H new ATOM 0 HH21 ARG A 94 0.541 -19.044 4.663 1.00 61.44 H new ATOM 0 HH22 ARG A 94 0.887 -20.464 5.655 1.00 61.44 H new ATOM 1458 N ILE A 95 -3.784 -21.088 -1.727 1.00 13.24 N ATOM 1459 CA ILE A 95 -5.192 -21.364 -1.468 1.00 22.35 C ATOM 1460 C ILE A 95 -5.686 -22.537 -2.308 1.00 44.34 C ATOM 1461 O ILE A 95 -5.209 -22.760 -3.421 1.00 63.42 O ATOM 1462 CB ILE A 95 -6.070 -20.133 -1.758 1.00 11.12 C ATOM 1463 CG1 ILE A 95 -5.732 -19.551 -3.132 1.00 1.42 C ATOM 1464 CG2 ILE A 95 -5.886 -19.083 -0.672 1.00 34.41 C ATOM 1465 CD1 ILE A 95 -6.685 -18.465 -3.579 1.00 53.21 C ATOM 0 H ILE A 95 -3.522 -21.119 -2.712 1.00 13.24 H new ATOM 0 HA ILE A 95 -5.274 -21.617 -0.411 1.00 22.35 H new ATOM 0 HB ILE A 95 -7.115 -20.443 -1.763 1.00 11.12 H new ATOM 0 HG12 ILE A 95 -4.720 -19.147 -3.108 1.00 1.42 H new ATOM 0 HG13 ILE A 95 -5.737 -20.354 -3.869 1.00 1.42 H new ATOM 0 HG21 ILE A 95 -6.513 -18.219 -0.891 1.00 34.41 H new ATOM 0 HG22 ILE A 95 -6.171 -19.503 0.292 1.00 34.41 H new ATOM 0 HG23 ILE A 95 -4.841 -18.774 -0.638 1.00 34.41 H new ATOM 0 HD11 ILE A 95 -6.385 -18.099 -4.561 1.00 53.21 H new ATOM 0 HD12 ILE A 95 -7.696 -18.869 -3.636 1.00 53.21 H new ATOM 0 HD13 ILE A 95 -6.662 -17.644 -2.863 1.00 53.21 H new ATOM 1477 N TYR A 96 -6.645 -23.281 -1.770 1.00 21.02 N ATOM 1478 CA TYR A 96 -7.204 -24.431 -2.470 1.00 63.41 C ATOM 1479 C TYR A 96 -8.552 -24.086 -3.095 1.00 71.40 C ATOM 1480 O TYR A 96 -9.553 -23.937 -2.394 1.00 54.21 O ATOM 1481 CB TYR A 96 -7.361 -25.612 -1.510 1.00 60.14 C ATOM 1482 CG TYR A 96 -6.047 -26.237 -1.098 1.00 51.34 C ATOM 1483 CD1 TYR A 96 -5.112 -25.516 -0.365 1.00 74.50 C ATOM 1484 CD2 TYR A 96 -5.741 -27.548 -1.442 1.00 41.20 C ATOM 1485 CE1 TYR A 96 -3.911 -26.083 0.013 1.00 65.13 C ATOM 1486 CE2 TYR A 96 -4.542 -28.123 -1.067 1.00 71.13 C ATOM 1487 CZ TYR A 96 -3.630 -27.387 -0.341 1.00 11.55 C ATOM 1488 OH TYR A 96 -2.434 -27.955 0.035 1.00 15.01 O ATOM 0 H TYR A 96 -7.052 -23.108 -0.851 1.00 21.02 H new ATOM 0 HA TYR A 96 -6.515 -24.709 -3.268 1.00 63.41 H new ATOM 0 HB2 TYR A 96 -7.889 -25.276 -0.618 1.00 60.14 H new ATOM 0 HB3 TYR A 96 -7.983 -26.373 -1.982 1.00 60.14 H new ATOM 0 HD1 TYR A 96 -5.328 -24.495 -0.086 1.00 74.50 H new ATOM 0 HD2 TYR A 96 -6.452 -28.127 -2.012 1.00 41.20 H new ATOM 0 HE1 TYR A 96 -3.195 -25.509 0.583 1.00 65.13 H new ATOM 0 HE2 TYR A 96 -4.320 -29.144 -1.341 1.00 71.13 H new ATOM 0 HH TYR A 96 -2.393 -28.878 -0.292 1.00 15.01 H new ATOM 1498 N ILE A 97 -8.569 -23.962 -4.418 1.00 31.42 N ATOM 1499 CA ILE A 97 -9.794 -23.637 -5.138 1.00 63.03 C ATOM 1500 C ILE A 97 -10.560 -24.900 -5.518 1.00 50.51 C ATOM 1501 O ILE A 97 -9.983 -25.860 -6.028 1.00 23.23 O ATOM 1502 CB ILE A 97 -9.498 -22.826 -6.414 1.00 21.31 C ATOM 1503 CG1 ILE A 97 -8.589 -21.639 -6.090 1.00 42.14 C ATOM 1504 CG2 ILE A 97 -10.795 -22.350 -7.051 1.00 45.51 C ATOM 1505 CD1 ILE A 97 -9.150 -20.721 -5.027 1.00 44.43 C ATOM 0 H ILE A 97 -7.749 -24.082 -5.013 1.00 31.42 H new ATOM 0 HA ILE A 97 -10.404 -23.033 -4.466 1.00 63.03 H new ATOM 0 HB ILE A 97 -8.982 -23.470 -7.126 1.00 21.31 H new ATOM 0 HG12 ILE A 97 -7.620 -22.013 -5.761 1.00 42.14 H new ATOM 0 HG13 ILE A 97 -8.416 -21.065 -7.000 1.00 42.14 H new ATOM 0 HG21 ILE A 97 -10.570 -21.778 -7.951 1.00 45.51 H new ATOM 0 HG22 ILE A 97 -11.410 -23.211 -7.312 1.00 45.51 H new ATOM 0 HG23 ILE A 97 -11.336 -21.719 -6.346 1.00 45.51 H new ATOM 0 HD11 ILE A 97 -8.453 -19.902 -4.849 1.00 44.43 H new ATOM 0 HD12 ILE A 97 -10.106 -20.318 -5.362 1.00 44.43 H new ATOM 0 HD13 ILE A 97 -9.296 -21.281 -4.103 1.00 44.43 H new ATOM 1517 N LYS A 98 -11.865 -24.891 -5.268 1.00 40.52 N ATOM 1518 CA LYS A 98 -12.713 -26.033 -5.586 1.00 72.02 C ATOM 1519 C LYS A 98 -14.086 -25.574 -6.068 1.00 21.23 C ATOM 1520 O LYS A 98 -14.750 -24.777 -5.407 1.00 35.14 O ATOM 1521 CB LYS A 98 -12.867 -26.937 -4.361 1.00 22.10 C ATOM 1522 CG LYS A 98 -11.904 -28.112 -4.347 1.00 41.33 C ATOM 1523 CD LYS A 98 -12.322 -29.164 -3.334 1.00 11.21 C ATOM 1524 CE LYS A 98 -11.685 -30.512 -3.635 1.00 54.11 C ATOM 1525 NZ LYS A 98 -12.587 -31.643 -3.280 1.00 41.24 N ATOM 0 H LYS A 98 -12.358 -24.104 -4.846 1.00 40.52 H new ATOM 0 HA LYS A 98 -12.235 -26.596 -6.388 1.00 72.02 H new ATOM 0 HB2 LYS A 98 -12.715 -26.343 -3.460 1.00 22.10 H new ATOM 0 HB3 LYS A 98 -13.889 -27.315 -4.325 1.00 22.10 H new ATOM 0 HG2 LYS A 98 -11.860 -28.559 -5.340 1.00 41.33 H new ATOM 0 HG3 LYS A 98 -10.900 -27.758 -4.112 1.00 41.33 H new ATOM 0 HD2 LYS A 98 -12.036 -28.841 -2.333 1.00 11.21 H new ATOM 0 HD3 LYS A 98 -13.407 -29.264 -3.339 1.00 11.21 H new ATOM 0 HE2 LYS A 98 -11.434 -30.567 -4.694 1.00 54.11 H new ATOM 0 HE3 LYS A 98 -10.751 -30.604 -3.081 1.00 54.11 H new ATOM 0 HZ1 LYS A 98 -12.117 -32.544 -3.500 1.00 41.24 H new ATOM 0 HZ2 LYS A 98 -12.807 -31.606 -2.264 1.00 41.24 H new ATOM 0 HZ3 LYS A 98 -13.468 -31.569 -3.828 1.00 41.24 H new ATOM 1539 N GLU A 99 -14.504 -26.084 -7.222 1.00 71.00 N ATOM 1540 CA GLU A 99 -15.798 -25.726 -7.790 1.00 54.12 C ATOM 1541 C GLU A 99 -16.931 -26.431 -7.050 1.00 14.42 C ATOM 1542 O GLU A 99 -16.862 -27.630 -6.782 1.00 31.31 O ATOM 1543 CB GLU A 99 -15.845 -26.085 -9.277 1.00 23.32 C ATOM 1544 CG GLU A 99 -15.444 -27.522 -9.568 1.00 53.35 C ATOM 1545 CD GLU A 99 -16.518 -28.286 -10.318 1.00 51.15 C ATOM 1546 OE1 GLU A 99 -17.228 -27.664 -11.136 1.00 70.22 O ATOM 1547 OE2 GLU A 99 -16.648 -29.506 -10.087 1.00 60.32 O ATOM 0 H GLU A 99 -13.966 -26.746 -7.781 1.00 71.00 H new ATOM 0 HA GLU A 99 -15.929 -24.650 -7.679 1.00 54.12 H new ATOM 0 HB2 GLU A 99 -16.854 -25.915 -9.652 1.00 23.32 H new ATOM 0 HB3 GLU A 99 -15.184 -25.414 -9.826 1.00 23.32 H new ATOM 0 HG2 GLU A 99 -14.524 -27.527 -10.153 1.00 53.35 H new ATOM 0 HG3 GLU A 99 -15.228 -28.032 -8.629 1.00 53.35 H new ATOM 1554 N LYS A 100 -17.975 -25.676 -6.721 1.00 64.21 N ATOM 1555 CA LYS A 100 -19.124 -26.226 -6.012 1.00 71.12 C ATOM 1556 C LYS A 100 -19.869 -27.233 -6.883 1.00 32.15 C ATOM 1557 O LYS A 100 -19.775 -28.442 -6.670 1.00 25.14 O ATOM 1558 CB LYS A 100 -20.073 -25.103 -5.588 1.00 4.34 C ATOM 1559 CG LYS A 100 -19.451 -24.118 -4.613 1.00 0.15 C ATOM 1560 CD LYS A 100 -20.496 -23.507 -3.694 1.00 74.14 C ATOM 1561 CE LYS A 100 -21.541 -22.729 -4.479 1.00 40.53 C ATOM 1562 NZ LYS A 100 -22.574 -22.133 -3.588 1.00 15.12 N ATOM 0 H LYS A 100 -18.048 -24.681 -6.934 1.00 64.21 H new ATOM 0 HA LYS A 100 -18.759 -26.740 -5.123 1.00 71.12 H new ATOM 0 HB2 LYS A 100 -20.404 -24.563 -6.475 1.00 4.34 H new ATOM 0 HB3 LYS A 100 -20.961 -25.541 -5.132 1.00 4.34 H new ATOM 0 HG2 LYS A 100 -18.693 -24.625 -4.017 1.00 0.15 H new ATOM 0 HG3 LYS A 100 -18.945 -23.327 -5.167 1.00 0.15 H new ATOM 0 HD2 LYS A 100 -20.983 -24.295 -3.120 1.00 74.14 H new ATOM 0 HD3 LYS A 100 -20.010 -22.845 -2.978 1.00 74.14 H new ATOM 0 HE2 LYS A 100 -21.053 -21.938 -5.049 1.00 40.53 H new ATOM 0 HE3 LYS A 100 -22.021 -23.391 -5.200 1.00 40.53 H new ATOM 0 HZ1 LYS A 100 -23.268 -21.611 -4.161 1.00 15.12 H new ATOM 0 HZ2 LYS A 100 -23.058 -22.889 -3.063 1.00 15.12 H new ATOM 0 HZ3 LYS A 100 -22.119 -21.482 -2.917 1.00 15.12 H new TER 1576 LYS A 100