USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 481 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 ALA N :NH3+ -174:sc= -0.0499 (180deg=-0.183) USER MOD Single : A 2 SER OG : rot 11:sc= 1.03 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= 1.27 (180deg=0.904) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.213 USER MOD Single : A 11 GLN : amide:sc= -0.763 K(o=-0.76,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0828 (180deg=-0.263) USER MOD Single : A 21 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-0.66) USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -0.161 (180deg=-1.35) USER MOD Single : A 23 SER OG : rot 66:sc= 0.542 USER MOD Single : A 25 SER OG : rot 180:sc= 0.011 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00357 (180deg=-0.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.947 K(o=-0.95,f=-5.5!) USER MOD Single : A 43 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0779 (180deg=-0.402) USER MOD Single : A 48 TYR OH : rot 30:sc= -1.49! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-2.7e-05) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 56 HIS : no HE2:sc= 0.993 K(o=0.99,f=-4.4!) USER MOD Single : A 57 HIS : no HD1:sc=-0.00916 X(o=-0.0092,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 74.708 5.576 -15.867 1.00 0.00 N ATOM 2 CA ALA A 1 74.135 6.678 -15.068 1.00 0.00 C ATOM 3 C ALA A 1 73.337 6.149 -13.877 1.00 0.00 C ATOM 4 O ALA A 1 73.034 6.900 -12.951 1.00 0.00 O ATOM 5 CB ALA A 1 73.253 7.561 -15.939 1.00 0.00 C ATOM 0 H1 ALA A 1 75.326 5.968 -16.606 1.00 0.00 H new ATOM 0 H2 ALA A 1 75.262 4.950 -15.248 1.00 0.00 H new ATOM 0 H3 ALA A 1 73.940 5.033 -16.310 1.00 0.00 H new ATOM 0 HA ALA A 1 74.963 7.272 -14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 1 72.838 8.369 -15.336 1.00 0.00 H new ATOM 0 HB2 ALA A 1 73.847 7.982 -16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 1 72.441 6.966 -16.356 1.00 0.00 H new ATOM 13 N SER A 2 73.004 4.846 -13.909 1.00 0.00 N ATOM 14 CA SER A 2 72.223 4.165 -12.853 1.00 0.00 C ATOM 15 C SER A 2 70.857 4.826 -12.608 1.00 0.00 C ATOM 16 O SER A 2 70.524 5.854 -13.205 1.00 0.00 O ATOM 17 CB SER A 2 73.030 4.026 -11.531 1.00 0.00 C ATOM 18 OG SER A 2 73.429 5.285 -11.006 1.00 0.00 O ATOM 0 H SER A 2 73.271 4.228 -14.675 1.00 0.00 H new ATOM 0 HA SER A 2 72.024 3.160 -13.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 72.424 3.502 -10.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 73.914 3.413 -11.710 1.00 0.00 H new ATOM 0 HG SER A 2 72.968 6.002 -11.489 1.00 0.00 H new ATOM 24 N MET A 3 70.063 4.216 -11.751 1.00 0.00 N ATOM 25 CA MET A 3 68.753 4.746 -11.421 1.00 0.00 C ATOM 26 C MET A 3 68.880 5.861 -10.403 1.00 0.00 C ATOM 27 O MET A 3 69.195 5.611 -9.240 1.00 0.00 O ATOM 28 CB MET A 3 67.843 3.642 -10.868 1.00 0.00 C ATOM 29 CG MET A 3 67.545 2.527 -11.854 1.00 0.00 C ATOM 30 SD MET A 3 66.498 1.239 -11.147 1.00 0.00 S ATOM 31 CE MET A 3 66.362 0.121 -12.538 1.00 0.00 C ATOM 0 H MET A 3 70.302 3.350 -11.268 1.00 0.00 H new ATOM 0 HA MET A 3 68.307 5.142 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 3 68.310 3.212 -9.982 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.902 4.089 -10.548 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.056 2.946 -12.734 1.00 0.00 H new ATOM 0 HG3 MET A 3 68.482 2.084 -12.191 1.00 0.00 H new ATOM 0 HE1 MET A 3 65.742 -0.732 -12.260 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.906 0.642 -13.380 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.354 -0.229 -12.822 1.00 0.00 H new ATOM 41 N GLY A 4 68.661 7.088 -10.845 1.00 0.00 N ATOM 42 CA GLY A 4 68.738 8.218 -9.945 1.00 0.00 C ATOM 43 C GLY A 4 67.637 8.174 -8.918 1.00 0.00 C ATOM 44 O GLY A 4 67.878 8.381 -7.725 1.00 0.00 O ATOM 0 H GLY A 4 68.431 7.322 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 69.706 8.222 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 4 68.670 9.145 -10.515 1.00 0.00 H new ATOM 48 N LYS A 5 66.425 7.878 -9.384 1.00 0.00 N ATOM 49 CA LYS A 5 65.256 7.777 -8.524 1.00 0.00 C ATOM 50 C LYS A 5 64.016 7.477 -9.354 1.00 0.00 C ATOM 51 O LYS A 5 63.327 6.484 -9.112 1.00 0.00 O ATOM 52 CB LYS A 5 65.040 9.072 -7.722 1.00 0.00 C ATOM 53 CG LYS A 5 63.914 8.983 -6.697 1.00 0.00 C ATOM 54 CD LYS A 5 63.734 10.294 -5.940 1.00 0.00 C ATOM 55 CE LYS A 5 64.962 10.649 -5.110 1.00 0.00 C ATOM 56 NZ LYS A 5 65.247 9.627 -4.069 1.00 0.00 N ATOM 0 H LYS A 5 66.230 7.702 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 5 65.429 6.962 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 5 65.966 9.328 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 5 64.824 9.885 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.983 8.723 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.128 8.181 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.532 11.097 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.865 10.219 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.827 10.748 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.810 11.618 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.732 10.076 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.354 9.205 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.855 8.884 -4.469 1.00 0.00 H new ATOM 70 N SER A 6 63.752 8.344 -10.343 1.00 0.00 N ATOM 71 CA SER A 6 62.572 8.242 -11.209 1.00 0.00 C ATOM 72 C SER A 6 61.313 8.590 -10.414 1.00 0.00 C ATOM 73 O SER A 6 60.737 9.668 -10.584 1.00 0.00 O ATOM 74 CB SER A 6 62.461 6.840 -11.853 1.00 0.00 C ATOM 75 OG SER A 6 61.340 6.749 -12.718 1.00 0.00 O ATOM 0 H SER A 6 64.354 9.137 -10.564 1.00 0.00 H new ATOM 0 HA SER A 6 62.679 8.958 -12.024 1.00 0.00 H new ATOM 0 HB2 SER A 6 63.371 6.623 -12.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 62.380 6.085 -11.071 1.00 0.00 H new ATOM 0 HG SER A 6 61.301 5.851 -13.109 1.00 0.00 H new ATOM 81 N LYS A 7 60.914 7.689 -9.538 1.00 0.00 N ATOM 82 CA LYS A 7 59.776 7.894 -8.674 1.00 0.00 C ATOM 83 C LYS A 7 59.799 6.847 -7.577 1.00 0.00 C ATOM 84 O LYS A 7 59.408 5.702 -7.794 1.00 0.00 O ATOM 85 CB LYS A 7 58.458 7.812 -9.462 1.00 0.00 C ATOM 86 CG LYS A 7 57.273 8.446 -8.745 1.00 0.00 C ATOM 87 CD LYS A 7 57.470 9.949 -8.587 1.00 0.00 C ATOM 88 CE LYS A 7 56.293 10.604 -7.885 1.00 0.00 C ATOM 89 NZ LYS A 7 56.484 12.070 -7.748 1.00 0.00 N ATOM 0 H LYS A 7 61.376 6.789 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 7 59.836 8.891 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 7 58.591 8.301 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 7 58.231 6.765 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 7 56.358 8.253 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 7 57.149 7.987 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 7 58.382 10.138 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 7 57.605 10.403 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 7 55.379 10.407 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 7 56.164 10.160 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 55.661 12.484 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.343 12.258 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 56.582 12.497 -8.691 1.00 0.00 H new ATOM 103 N GLU A 8 60.280 7.231 -6.407 1.00 0.00 N ATOM 104 CA GLU A 8 60.401 6.295 -5.295 1.00 0.00 C ATOM 105 C GLU A 8 59.063 6.066 -4.615 1.00 0.00 C ATOM 106 O GLU A 8 58.923 5.174 -3.784 1.00 0.00 O ATOM 107 CB GLU A 8 61.428 6.786 -4.276 1.00 0.00 C ATOM 108 CG GLU A 8 61.080 8.117 -3.639 1.00 0.00 C ATOM 109 CD GLU A 8 62.003 8.465 -2.503 1.00 0.00 C ATOM 110 OE1 GLU A 8 63.040 9.111 -2.749 1.00 0.00 O ATOM 111 OE2 GLU A 8 61.699 8.101 -1.353 1.00 0.00 O ATOM 0 H GLU A 8 60.593 8.179 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 8 60.742 5.345 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 8 61.533 6.036 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 8 62.398 6.872 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 8 61.125 8.902 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 8 60.054 8.085 -3.274 1.00 0.00 H new ATOM 118 N ILE A 9 58.079 6.868 -4.975 1.00 0.00 N ATOM 119 CA ILE A 9 56.755 6.750 -4.392 1.00 0.00 C ATOM 120 C ILE A 9 55.949 5.665 -5.128 1.00 0.00 C ATOM 121 O ILE A 9 54.897 5.932 -5.709 1.00 0.00 O ATOM 122 CB ILE A 9 55.992 8.107 -4.441 1.00 0.00 C ATOM 123 CG1 ILE A 9 56.904 9.259 -3.981 1.00 0.00 C ATOM 124 CG2 ILE A 9 54.735 8.054 -3.572 1.00 0.00 C ATOM 125 CD1 ILE A 9 57.414 9.117 -2.559 1.00 0.00 C ATOM 0 H ILE A 9 58.171 7.609 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 9 56.871 6.466 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 9 55.693 8.288 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 9 57.757 9.324 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 9 56.357 10.198 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 54.218 9.012 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 9 54.075 7.266 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 9 55.015 7.846 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 9 58.048 9.969 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 9 56.569 9.084 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 9 57.991 8.197 -2.470 1.00 0.00 H new ATOM 137 N SER A 10 56.488 4.456 -5.133 1.00 0.00 N ATOM 138 CA SER A 10 55.844 3.325 -5.770 1.00 0.00 C ATOM 139 C SER A 10 55.156 2.441 -4.729 1.00 0.00 C ATOM 140 O SER A 10 53.927 2.443 -4.604 1.00 0.00 O ATOM 141 CB SER A 10 56.877 2.525 -6.564 1.00 0.00 C ATOM 142 OG SER A 10 58.039 2.281 -5.781 1.00 0.00 O ATOM 0 H SER A 10 57.382 4.234 -4.696 1.00 0.00 H new ATOM 0 HA SER A 10 55.080 3.691 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 10 56.443 1.578 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 57.150 3.071 -7.467 1.00 0.00 H new ATOM 0 HG SER A 10 58.686 1.767 -6.307 1.00 0.00 H new ATOM 148 N GLN A 11 55.958 1.709 -3.959 1.00 0.00 N ATOM 149 CA GLN A 11 55.439 0.839 -2.915 1.00 0.00 C ATOM 150 C GLN A 11 54.968 1.677 -1.734 1.00 0.00 C ATOM 151 O GLN A 11 54.194 1.217 -0.888 1.00 0.00 O ATOM 152 CB GLN A 11 56.505 -0.174 -2.471 1.00 0.00 C ATOM 153 CG GLN A 11 55.991 -1.210 -1.476 1.00 0.00 C ATOM 154 CD GLN A 11 57.034 -2.249 -1.101 1.00 0.00 C ATOM 155 OE1 GLN A 11 56.700 -3.393 -0.803 1.00 0.00 O ATOM 156 NE2 GLN A 11 58.293 -1.859 -1.099 1.00 0.00 N ATOM 0 H GLN A 11 56.975 1.704 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 11 54.591 0.280 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 11 56.893 -0.689 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 11 57.340 0.364 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 11 55.654 -0.701 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 55.123 -1.713 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 11 58.530 -0.900 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 11 59.030 -2.516 -0.844 1.00 0.00 H new ATOM 165 N ASP A 12 55.435 2.919 -1.696 1.00 0.00 N ATOM 166 CA ASP A 12 55.040 3.872 -0.665 1.00 0.00 C ATOM 167 C ASP A 12 53.526 4.064 -0.679 1.00 0.00 C ATOM 168 O ASP A 12 52.904 4.244 0.360 1.00 0.00 O ATOM 169 CB ASP A 12 55.748 5.213 -0.883 1.00 0.00 C ATOM 170 CG ASP A 12 55.428 6.231 0.198 1.00 0.00 C ATOM 171 OD1 ASP A 12 56.103 6.224 1.252 1.00 0.00 O ATOM 172 OD2 ASP A 12 54.523 7.057 -0.010 1.00 0.00 O ATOM 0 H ASP A 12 56.096 3.294 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 12 55.334 3.478 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 12 56.825 5.049 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 12 55.459 5.617 -1.853 1.00 0.00 H new ATOM 177 N LEU A 13 52.939 3.994 -1.872 1.00 0.00 N ATOM 178 CA LEU A 13 51.493 4.118 -2.028 1.00 0.00 C ATOM 179 C LEU A 13 50.789 2.924 -1.386 1.00 0.00 C ATOM 180 O LEU A 13 49.742 3.066 -0.753 1.00 0.00 O ATOM 181 CB LEU A 13 51.123 4.191 -3.517 1.00 0.00 C ATOM 182 CG LEU A 13 51.737 5.347 -4.312 1.00 0.00 C ATOM 183 CD1 LEU A 13 51.391 5.219 -5.786 1.00 0.00 C ATOM 184 CD2 LEU A 13 51.257 6.684 -3.771 1.00 0.00 C ATOM 0 H LEU A 13 53.445 3.852 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 13 51.170 5.034 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 13 51.420 3.255 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 13 50.038 4.259 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 13 52.821 5.301 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 13 51.835 6.048 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 13 51.782 4.277 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 50.308 5.240 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 51.705 7.492 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 13 50.171 6.740 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 51.551 6.780 -2.726 1.00 0.00 H new ATOM 196 N ARG A 14 51.397 1.752 -1.538 1.00 0.00 N ATOM 197 CA ARG A 14 50.842 0.507 -1.015 1.00 0.00 C ATOM 198 C ARG A 14 50.843 0.495 0.508 1.00 0.00 C ATOM 199 O ARG A 14 49.862 0.115 1.131 1.00 0.00 O ATOM 200 CB ARG A 14 51.628 -0.689 -1.557 1.00 0.00 C ATOM 201 CG ARG A 14 51.504 -0.865 -3.061 1.00 0.00 C ATOM 202 CD ARG A 14 52.483 -1.900 -3.592 1.00 0.00 C ATOM 203 NE ARG A 14 52.314 -3.216 -2.965 1.00 0.00 N ATOM 204 CZ ARG A 14 52.477 -4.381 -3.604 1.00 0.00 C ATOM 205 NH1 ARG A 14 52.715 -4.404 -4.914 1.00 0.00 N ATOM 206 NH2 ARG A 14 52.374 -5.523 -2.936 1.00 0.00 N ATOM 0 H ARG A 14 52.286 1.638 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 14 49.807 0.434 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 14 52.680 -0.569 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 14 51.280 -1.596 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 14 50.486 -1.167 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 14 51.682 0.090 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 14 52.353 -1.997 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 14 53.502 -1.550 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 14 52.056 -3.245 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 14 52.774 -3.530 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 14 52.838 -5.295 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 14 52.171 -5.513 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 14 52.498 -6.411 -3.422 1.00 0.00 H new ATOM 220 N LYS A 15 51.943 0.916 1.105 1.00 0.00 N ATOM 221 CA LYS A 15 52.033 0.957 2.557 1.00 0.00 C ATOM 222 C LYS A 15 51.195 2.104 3.117 1.00 0.00 C ATOM 223 O LYS A 15 50.688 2.027 4.231 1.00 0.00 O ATOM 224 CB LYS A 15 53.492 1.090 3.017 1.00 0.00 C ATOM 225 CG LYS A 15 54.211 2.299 2.438 1.00 0.00 C ATOM 226 CD LYS A 15 55.601 2.479 3.029 1.00 0.00 C ATOM 227 CE LYS A 15 55.538 2.809 4.513 1.00 0.00 C ATOM 228 NZ LYS A 15 56.875 3.141 5.061 1.00 0.00 N ATOM 0 H LYS A 15 52.780 1.232 0.615 1.00 0.00 H new ATOM 0 HA LYS A 15 51.639 0.017 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.516 1.152 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 15 54.035 0.187 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 15 54.289 2.189 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 53.620 3.195 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 15 56.181 1.568 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 15 56.122 3.277 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 15 54.862 3.650 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 15 55.123 1.960 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 56.790 3.360 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 57.513 2.330 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 57.260 3.967 4.560 1.00 0.00 H new ATOM 242 N LYS A 16 51.039 3.158 2.323 1.00 0.00 N ATOM 243 CA LYS A 16 50.287 4.332 2.741 1.00 0.00 C ATOM 244 C LYS A 16 48.803 4.019 2.867 1.00 0.00 C ATOM 245 O LYS A 16 48.177 4.343 3.878 1.00 0.00 O ATOM 246 CB LYS A 16 50.486 5.477 1.748 1.00 0.00 C ATOM 247 CG LYS A 16 50.832 6.804 2.397 1.00 0.00 C ATOM 248 CD LYS A 16 52.183 6.739 3.094 1.00 0.00 C ATOM 249 CE LYS A 16 52.572 8.084 3.680 1.00 0.00 C ATOM 250 NZ LYS A 16 51.579 8.569 4.665 1.00 0.00 N ATOM 0 H LYS A 16 51.426 3.221 1.382 1.00 0.00 H new ATOM 0 HA LYS A 16 50.663 4.633 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 16 51.280 5.207 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 16 49.575 5.598 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 50.847 7.589 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 16 50.060 7.071 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.149 5.992 3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 16 52.945 6.416 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 16 53.548 8.002 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.672 8.814 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.960 9.399 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 50.702 8.833 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 51.376 7.816 5.353 1.00 0.00 H new ATOM 264 N ILE A 17 48.248 3.376 1.843 1.00 0.00 N ATOM 265 CA ILE A 17 46.828 3.041 1.829 1.00 0.00 C ATOM 266 C ILE A 17 46.470 2.101 2.992 1.00 0.00 C ATOM 267 O ILE A 17 45.355 2.141 3.516 1.00 0.00 O ATOM 268 CB ILE A 17 46.394 2.413 0.463 1.00 0.00 C ATOM 269 CG1 ILE A 17 44.876 2.223 0.399 1.00 0.00 C ATOM 270 CG2 ILE A 17 47.103 1.094 0.208 1.00 0.00 C ATOM 271 CD1 ILE A 17 44.104 3.522 0.392 1.00 0.00 C ATOM 0 H ILE A 17 48.760 3.077 1.013 1.00 0.00 H new ATOM 0 HA ILE A 17 46.277 3.973 1.956 1.00 0.00 H new ATOM 0 HB ILE A 17 46.686 3.112 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 17 44.627 1.657 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 17 44.557 1.625 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 17 46.778 0.685 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 17 48.180 1.258 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 17 46.860 0.390 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 17 43.036 3.310 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 17 44.324 4.081 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 17 44.395 4.113 -0.476 1.00 0.00 H new ATOM 283 N VAL A 18 47.429 1.282 3.405 1.00 0.00 N ATOM 284 CA VAL A 18 47.224 0.364 4.512 1.00 0.00 C ATOM 285 C VAL A 18 47.390 1.082 5.854 1.00 0.00 C ATOM 286 O VAL A 18 46.570 0.921 6.762 1.00 0.00 O ATOM 287 CB VAL A 18 48.202 -0.836 4.446 1.00 0.00 C ATOM 288 CG1 VAL A 18 48.011 -1.756 5.643 1.00 0.00 C ATOM 289 CG2 VAL A 18 48.014 -1.609 3.149 1.00 0.00 C ATOM 0 H VAL A 18 48.358 1.237 2.987 1.00 0.00 H new ATOM 0 HA VAL A 18 46.205 -0.014 4.429 1.00 0.00 H new ATOM 0 HB VAL A 18 49.219 -0.445 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 18 48.708 -2.591 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.198 -1.201 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.989 -2.136 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 48.710 -2.448 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 18 46.992 -1.983 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 18 48.206 -0.950 2.302 1.00 0.00 H new ATOM 299 N ASP A 19 48.443 1.884 5.964 1.00 0.00 N ATOM 300 CA ASP A 19 48.739 2.612 7.200 1.00 0.00 C ATOM 301 C ASP A 19 47.597 3.537 7.599 1.00 0.00 C ATOM 302 O ASP A 19 47.058 3.431 8.702 1.00 0.00 O ATOM 303 CB ASP A 19 50.041 3.410 7.065 1.00 0.00 C ATOM 304 CG ASP A 19 50.345 4.247 8.294 1.00 0.00 C ATOM 305 OD1 ASP A 19 50.513 3.669 9.394 1.00 0.00 O ATOM 306 OD2 ASP A 19 50.416 5.488 8.171 1.00 0.00 O ATOM 0 H ASP A 19 49.111 2.049 5.211 1.00 0.00 H new ATOM 0 HA ASP A 19 48.860 1.869 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.867 2.722 6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 19 49.974 4.062 6.194 1.00 0.00 H new ATOM 311 N LEU A 20 47.209 4.423 6.694 1.00 0.00 N ATOM 312 CA LEU A 20 46.144 5.382 6.975 1.00 0.00 C ATOM 313 C LEU A 20 44.794 4.679 7.141 1.00 0.00 C ATOM 314 O LEU A 20 43.882 5.200 7.796 1.00 0.00 O ATOM 315 CB LEU A 20 46.070 6.469 5.888 1.00 0.00 C ATOM 316 CG LEU A 20 47.157 7.566 5.953 1.00 0.00 C ATOM 317 CD1 LEU A 20 48.533 7.005 5.635 1.00 0.00 C ATOM 318 CD2 LEU A 20 46.823 8.712 5.013 1.00 0.00 C ATOM 0 H LEU A 20 47.613 4.500 5.760 1.00 0.00 H new ATOM 0 HA LEU A 20 46.384 5.871 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 20 46.128 5.985 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 20 45.093 6.949 5.948 1.00 0.00 H new ATOM 0 HG LEU A 20 47.178 7.947 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 20 49.273 7.803 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 20 48.784 6.227 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 20 48.530 6.581 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 20 47.602 9.472 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 20 46.762 8.338 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 20 45.866 9.149 5.298 1.00 0.00 H new ATOM 330 N HIS A 21 44.683 3.484 6.563 1.00 0.00 N ATOM 331 CA HIS A 21 43.472 2.671 6.671 1.00 0.00 C ATOM 332 C HIS A 21 43.201 2.332 8.125 1.00 0.00 C ATOM 333 O HIS A 21 42.061 2.367 8.591 1.00 0.00 O ATOM 334 CB HIS A 21 43.649 1.359 5.899 1.00 0.00 C ATOM 335 CG HIS A 21 42.386 0.570 5.734 1.00 0.00 C ATOM 336 ND1 HIS A 21 41.398 0.908 4.833 1.00 0.00 N ATOM 337 CD2 HIS A 21 41.950 -0.548 6.366 1.00 0.00 C ATOM 338 CE1 HIS A 21 40.410 0.040 4.916 1.00 0.00 C ATOM 339 NE2 HIS A 21 40.718 -0.856 5.839 1.00 0.00 N ATOM 0 H HIS A 21 45.424 3.054 6.010 1.00 0.00 H new ATOM 0 HA HIS A 21 42.640 3.241 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.056 1.582 4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 21 44.385 0.743 6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 21 42.472 -1.094 7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 21 39.503 0.057 4.330 1.00 0.00 H new ATOM 0 HE2 HIS A 21 40.136 -1.647 6.115 1.00 0.00 H new ATOM 347 N LYS A 22 44.265 2.013 8.826 1.00 0.00 N ATOM 348 CA LYS A 22 44.189 1.578 10.203 1.00 0.00 C ATOM 349 C LYS A 22 44.281 2.752 11.165 1.00 0.00 C ATOM 350 O LYS A 22 44.129 2.588 12.370 1.00 0.00 O ATOM 351 CB LYS A 22 45.295 0.567 10.455 1.00 0.00 C ATOM 352 CG LYS A 22 45.208 -0.625 9.513 1.00 0.00 C ATOM 353 CD LYS A 22 46.556 -1.285 9.279 1.00 0.00 C ATOM 354 CE LYS A 22 46.941 -2.253 10.404 1.00 0.00 C ATOM 355 NZ LYS A 22 47.233 -1.568 11.688 1.00 0.00 N ATOM 0 H LYS A 22 45.214 2.048 8.455 1.00 0.00 H new ATOM 0 HA LYS A 22 43.221 1.109 10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 22 46.263 1.053 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 45.238 0.218 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 22 44.515 -1.359 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 22 44.797 -0.299 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 46.533 -1.825 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 47.323 -0.515 9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 22 46.130 -2.965 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 22 47.816 -2.827 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 47.921 -2.128 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 47.628 -0.625 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 46.355 -1.470 12.237 1.00 0.00 H new ATOM 369 N SER A 23 44.530 3.933 10.627 1.00 0.00 N ATOM 370 CA SER A 23 44.575 5.133 11.438 1.00 0.00 C ATOM 371 C SER A 23 43.158 5.627 11.711 1.00 0.00 C ATOM 372 O SER A 23 42.920 6.399 12.640 1.00 0.00 O ATOM 373 CB SER A 23 45.405 6.209 10.750 1.00 0.00 C ATOM 374 OG SER A 23 46.726 5.746 10.515 1.00 0.00 O ATOM 0 H SER A 23 44.704 4.085 9.633 1.00 0.00 H new ATOM 0 HA SER A 23 45.050 4.901 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 23 44.938 6.488 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 23 45.433 7.106 11.369 1.00 0.00 H new ATOM 0 HG SER A 23 46.705 5.011 9.867 1.00 0.00 H new ATOM 380 N GLY A 24 42.220 5.180 10.882 1.00 0.00 N ATOM 381 CA GLY A 24 40.824 5.512 11.086 1.00 0.00 C ATOM 382 C GLY A 24 40.447 6.872 10.543 1.00 0.00 C ATOM 383 O GLY A 24 39.779 6.971 9.515 1.00 0.00 O ATOM 0 H GLY A 24 42.404 4.591 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 24 40.204 4.753 10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 24 40.602 5.480 12.153 1.00 0.00 H new ATOM 387 N SER A 25 40.882 7.916 11.223 1.00 0.00 N ATOM 388 CA SER A 25 40.555 9.281 10.837 1.00 0.00 C ATOM 389 C SER A 25 41.168 9.649 9.484 1.00 0.00 C ATOM 390 O SER A 25 40.689 10.553 8.796 1.00 0.00 O ATOM 391 CB SER A 25 41.024 10.248 11.920 1.00 0.00 C ATOM 392 OG SER A 25 42.365 9.975 12.298 1.00 0.00 O ATOM 0 H SER A 25 41.469 7.846 12.054 1.00 0.00 H new ATOM 0 HA SER A 25 39.473 9.355 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 25 40.946 11.273 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 25 40.373 10.168 12.791 1.00 0.00 H new ATOM 0 HG SER A 25 42.645 10.608 12.992 1.00 0.00 H new ATOM 398 N SER A 26 42.204 8.929 9.096 1.00 0.00 N ATOM 399 CA SER A 26 42.885 9.185 7.845 1.00 0.00 C ATOM 400 C SER A 26 42.186 8.481 6.666 1.00 0.00 C ATOM 401 O SER A 26 42.674 8.514 5.534 1.00 0.00 O ATOM 402 CB SER A 26 44.335 8.734 7.954 1.00 0.00 C ATOM 403 OG SER A 26 44.949 9.292 9.108 1.00 0.00 O ATOM 0 H SER A 26 42.593 8.156 9.636 1.00 0.00 H new ATOM 0 HA SER A 26 42.852 10.257 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 26 44.380 7.646 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 26 44.883 9.037 7.062 1.00 0.00 H new ATOM 0 HG SER A 26 45.880 8.990 9.162 1.00 0.00 H new ATOM 409 N LEU A 27 41.036 7.859 6.938 1.00 0.00 N ATOM 410 CA LEU A 27 40.269 7.169 5.899 1.00 0.00 C ATOM 411 C LEU A 27 39.781 8.186 4.861 1.00 0.00 C ATOM 412 O LEU A 27 39.918 7.979 3.653 1.00 0.00 O ATOM 413 CB LEU A 27 39.072 6.425 6.531 1.00 0.00 C ATOM 414 CG LEU A 27 38.566 5.157 5.803 1.00 0.00 C ATOM 415 CD1 LEU A 27 38.053 5.474 4.406 1.00 0.00 C ATOM 416 CD2 LEU A 27 39.656 4.096 5.750 1.00 0.00 C ATOM 0 H LEU A 27 40.617 7.819 7.867 1.00 0.00 H new ATOM 0 HA LEU A 27 40.907 6.437 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 39.347 6.144 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 27 38.240 7.126 6.608 1.00 0.00 H new ATOM 0 HG LEU A 27 37.727 4.764 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 27 37.707 4.557 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 27 37.227 6.182 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 38.857 5.910 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 27 39.279 3.213 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 40.520 4.489 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 27 39.950 3.826 6.764 1.00 0.00 H new ATOM 428 N GLY A 28 39.234 9.294 5.345 1.00 0.00 N ATOM 429 CA GLY A 28 38.761 10.338 4.460 1.00 0.00 C ATOM 430 C GLY A 28 39.900 11.047 3.753 1.00 0.00 C ATOM 431 O GLY A 28 39.692 11.723 2.747 1.00 0.00 O ATOM 0 H GLY A 28 39.110 9.488 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 28 38.088 9.907 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 28 38.183 11.063 5.032 1.00 0.00 H new ATOM 435 N ALA A 29 41.108 10.882 4.278 1.00 0.00 N ATOM 436 CA ALA A 29 42.284 11.495 3.691 1.00 0.00 C ATOM 437 C ALA A 29 42.718 10.738 2.447 1.00 0.00 C ATOM 438 O ALA A 29 42.860 11.323 1.374 1.00 0.00 O ATOM 439 CB ALA A 29 43.418 11.561 4.704 1.00 0.00 C ATOM 0 H ALA A 29 41.295 10.326 5.112 1.00 0.00 H new ATOM 0 HA ALA A 29 42.029 12.514 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 29 44.291 12.024 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 29 43.104 12.153 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.673 10.553 5.031 1.00 0.00 H new ATOM 445 N ILE A 30 42.910 9.426 2.586 1.00 0.00 N ATOM 446 CA ILE A 30 43.317 8.590 1.455 1.00 0.00 C ATOM 447 C ILE A 30 42.274 8.608 0.346 1.00 0.00 C ATOM 448 O ILE A 30 42.616 8.663 -0.830 1.00 0.00 O ATOM 449 CB ILE A 30 43.613 7.125 1.871 1.00 0.00 C ATOM 450 CG1 ILE A 30 42.523 6.588 2.811 1.00 0.00 C ATOM 451 CG2 ILE A 30 44.985 7.021 2.511 1.00 0.00 C ATOM 452 CD1 ILE A 30 42.741 5.158 3.260 1.00 0.00 C ATOM 0 H ILE A 30 42.791 8.921 3.464 1.00 0.00 H new ATOM 0 HA ILE A 30 44.244 9.024 1.080 1.00 0.00 H new ATOM 0 HB ILE A 30 43.609 6.508 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 30 42.469 7.229 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 30 41.559 6.656 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 30 45.176 5.987 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.744 7.347 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 30 45.022 7.655 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 30 41.928 4.856 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 30 42.764 4.503 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 30 43.688 5.085 3.794 1.00 0.00 H new ATOM 464 N SER A 31 41.009 8.588 0.726 1.00 0.00 N ATOM 465 CA SER A 31 39.924 8.624 -0.244 1.00 0.00 C ATOM 466 C SER A 31 39.951 9.943 -1.026 1.00 0.00 C ATOM 467 O SER A 31 39.594 9.994 -2.205 1.00 0.00 O ATOM 468 CB SER A 31 38.576 8.449 0.471 1.00 0.00 C ATOM 469 OG SER A 31 37.506 8.361 -0.451 1.00 0.00 O ATOM 0 H SER A 31 40.705 8.547 1.699 1.00 0.00 H new ATOM 0 HA SER A 31 40.054 7.804 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.603 7.549 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 31 38.409 9.289 1.145 1.00 0.00 H new ATOM 0 HG SER A 31 36.663 8.249 0.036 1.00 0.00 H new ATOM 475 N LYS A 32 40.414 10.997 -0.369 1.00 0.00 N ATOM 476 CA LYS A 32 40.470 12.318 -0.969 1.00 0.00 C ATOM 477 C LYS A 32 41.684 12.477 -1.886 1.00 0.00 C ATOM 478 O LYS A 32 41.541 12.722 -3.082 1.00 0.00 O ATOM 479 CB LYS A 32 40.504 13.390 0.126 1.00 0.00 C ATOM 480 CG LYS A 32 40.585 14.823 -0.394 1.00 0.00 C ATOM 481 CD LYS A 32 39.345 15.211 -1.185 1.00 0.00 C ATOM 482 CE LYS A 32 38.095 15.180 -0.319 1.00 0.00 C ATOM 483 NZ LYS A 32 36.893 15.604 -1.072 1.00 0.00 N ATOM 0 H LYS A 32 40.759 10.959 0.590 1.00 0.00 H new ATOM 0 HA LYS A 32 39.574 12.441 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.610 13.290 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.360 13.203 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.709 15.507 0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.467 14.931 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.476 16.210 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.222 14.530 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 32 37.945 14.172 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 32 38.233 15.833 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 36.062 15.569 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 37.025 16.576 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 36.746 14.965 -1.879 1.00 0.00 H new ATOM 497 N ARG A 33 42.875 12.329 -1.321 1.00 0.00 N ATOM 498 CA ARG A 33 44.108 12.565 -2.068 1.00 0.00 C ATOM 499 C ARG A 33 44.469 11.422 -3.023 1.00 0.00 C ATOM 500 O ARG A 33 44.925 11.670 -4.141 1.00 0.00 O ATOM 501 CB ARG A 33 45.276 12.883 -1.125 1.00 0.00 C ATOM 502 CG ARG A 33 45.489 11.867 -0.016 1.00 0.00 C ATOM 503 CD ARG A 33 46.705 12.214 0.822 1.00 0.00 C ATOM 504 NE ARG A 33 47.932 12.212 0.024 1.00 0.00 N ATOM 505 CZ ARG A 33 49.136 12.535 0.489 1.00 0.00 C ATOM 506 NH1 ARG A 33 49.290 12.902 1.759 1.00 0.00 N ATOM 507 NH2 ARG A 33 50.184 12.493 -0.319 1.00 0.00 N ATOM 0 H ARG A 33 43.016 12.047 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 33 43.918 13.437 -2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 33 46.191 12.956 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 33 45.107 13.862 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 33 44.605 11.829 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 33 45.614 10.874 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 33 46.567 13.196 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 33 46.801 11.498 1.638 1.00 0.00 H new ATOM 0 HE ARG A 33 47.859 11.944 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 33 48.483 12.937 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 33 50.215 13.149 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 33 50.066 12.214 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 33 51.109 12.740 0.033 1.00 0.00 H new ATOM 521 N LEU A 34 44.268 10.183 -2.597 1.00 0.00 N ATOM 522 CA LEU A 34 44.603 9.039 -3.444 1.00 0.00 C ATOM 523 C LEU A 34 43.510 8.784 -4.466 1.00 0.00 C ATOM 524 O LEU A 34 43.797 8.416 -5.613 1.00 0.00 O ATOM 525 CB LEU A 34 44.867 7.766 -2.611 1.00 0.00 C ATOM 526 CG LEU A 34 46.296 7.574 -2.065 1.00 0.00 C ATOM 527 CD1 LEU A 34 47.306 7.504 -3.199 1.00 0.00 C ATOM 528 CD2 LEU A 34 46.669 8.677 -1.089 1.00 0.00 C ATOM 0 H LEU A 34 43.881 9.942 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 34 45.524 9.288 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 34 44.178 7.764 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 34 44.620 6.901 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 34 46.316 6.627 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 34 48.306 7.368 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 34 47.064 6.664 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 34 47.273 8.430 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 34 47.682 8.512 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 46.618 9.642 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 45.974 8.670 -0.249 1.00 0.00 H new ATOM 540 N LYS A 35 42.251 8.999 -4.051 1.00 0.00 N ATOM 541 CA LYS A 35 41.095 8.806 -4.931 1.00 0.00 C ATOM 542 C LYS A 35 41.055 7.353 -5.427 1.00 0.00 C ATOM 543 O LYS A 35 40.872 7.082 -6.618 1.00 0.00 O ATOM 544 CB LYS A 35 41.168 9.782 -6.118 1.00 0.00 C ATOM 545 CG LYS A 35 39.893 9.882 -6.940 1.00 0.00 C ATOM 546 CD LYS A 35 40.158 10.579 -8.261 1.00 0.00 C ATOM 547 CE LYS A 35 38.885 10.755 -9.068 1.00 0.00 C ATOM 548 NZ LYS A 35 37.963 11.732 -8.445 1.00 0.00 N ATOM 0 H LYS A 35 42.011 9.307 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 35 40.181 9.009 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 35 41.419 10.773 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 35 41.983 9.475 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 39.494 8.884 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 39.136 10.430 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 35 40.608 11.554 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 35 40.879 10.001 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 39.137 11.086 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 38.382 9.793 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 37.190 11.950 -9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 37.569 11.329 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 38.482 12.605 -8.220 1.00 0.00 H new ATOM 562 N VAL A 36 41.242 6.430 -4.509 1.00 0.00 N ATOM 563 CA VAL A 36 41.254 5.024 -4.847 1.00 0.00 C ATOM 564 C VAL A 36 39.880 4.393 -4.663 1.00 0.00 C ATOM 565 O VAL A 36 39.184 4.664 -3.675 1.00 0.00 O ATOM 566 CB VAL A 36 42.301 4.239 -4.020 1.00 0.00 C ATOM 567 CG1 VAL A 36 43.706 4.573 -4.489 1.00 0.00 C ATOM 568 CG2 VAL A 36 42.148 4.534 -2.534 1.00 0.00 C ATOM 0 H VAL A 36 41.388 6.629 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 36 41.531 4.964 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 36 42.129 3.174 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.430 4.013 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 36 43.812 4.305 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.886 5.641 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 36 42.894 3.971 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 36 42.290 5.600 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 36 41.151 4.242 -2.206 1.00 0.00 H new ATOM 578 N PRO A 37 39.459 3.560 -5.626 1.00 0.00 N ATOM 579 CA PRO A 37 38.188 2.857 -5.550 1.00 0.00 C ATOM 580 C PRO A 37 38.154 1.903 -4.363 1.00 0.00 C ATOM 581 O PRO A 37 39.188 1.359 -3.957 1.00 0.00 O ATOM 582 CB PRO A 37 38.123 2.063 -6.862 1.00 0.00 C ATOM 583 CG PRO A 37 39.110 2.720 -7.760 1.00 0.00 C ATOM 584 CD PRO A 37 40.184 3.255 -6.870 1.00 0.00 C ATOM 0 HA PRO A 37 37.350 3.541 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.373 1.014 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.121 2.090 -7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.517 2.009 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.643 3.521 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.975 2.523 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.653 4.144 -7.292 1.00 0.00 H new ATOM 592 N ARG A 38 36.971 1.692 -3.821 1.00 0.00 N ATOM 593 CA ARG A 38 36.791 0.814 -2.676 1.00 0.00 C ATOM 594 C ARG A 38 37.220 -0.599 -3.019 1.00 0.00 C ATOM 595 O ARG A 38 37.767 -1.305 -2.184 1.00 0.00 O ATOM 596 CB ARG A 38 35.332 0.826 -2.201 1.00 0.00 C ATOM 597 CG ARG A 38 34.952 2.012 -1.307 1.00 0.00 C ATOM 598 CD ARG A 38 35.222 3.356 -1.975 1.00 0.00 C ATOM 599 NE ARG A 38 34.552 3.478 -3.277 1.00 0.00 N ATOM 600 CZ ARG A 38 34.977 4.275 -4.266 1.00 0.00 C ATOM 601 NH1 ARG A 38 36.068 5.023 -4.101 1.00 0.00 N ATOM 602 NH2 ARG A 38 34.321 4.315 -5.419 1.00 0.00 N ATOM 0 H ARG A 38 36.109 2.121 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 38 37.418 1.183 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 38 34.681 0.826 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 38 35.135 -0.098 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 38 33.895 1.944 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 38 35.513 1.954 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 38 34.885 4.159 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 38 36.296 3.483 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 38 33.712 2.922 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 38 36.581 4.989 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 38 36.390 5.629 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 38 33.491 3.738 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 38 34.647 4.923 -6.170 1.00 0.00 H new ATOM 616 N SER A 39 36.990 -0.993 -4.265 1.00 0.00 N ATOM 617 CA SER A 39 37.372 -2.311 -4.739 1.00 0.00 C ATOM 618 C SER A 39 38.883 -2.518 -4.601 1.00 0.00 C ATOM 619 O SER A 39 39.340 -3.602 -4.238 1.00 0.00 O ATOM 620 CB SER A 39 36.935 -2.486 -6.192 1.00 0.00 C ATOM 621 OG SER A 39 35.544 -2.216 -6.335 1.00 0.00 O ATOM 0 H SER A 39 36.536 -0.410 -4.969 1.00 0.00 H new ATOM 0 HA SER A 39 36.872 -3.063 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 37.508 -1.816 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 39 37.149 -3.503 -6.521 1.00 0.00 H new ATOM 0 HG SER A 39 35.283 -2.332 -7.273 1.00 0.00 H new ATOM 627 N SER A 40 39.651 -1.465 -4.873 1.00 0.00 N ATOM 628 CA SER A 40 41.096 -1.524 -4.738 1.00 0.00 C ATOM 629 C SER A 40 41.475 -1.656 -3.269 1.00 0.00 C ATOM 630 O SER A 40 42.350 -2.447 -2.908 1.00 0.00 O ATOM 631 CB SER A 40 41.736 -0.272 -5.337 1.00 0.00 C ATOM 632 OG SER A 40 41.382 -0.122 -6.703 1.00 0.00 O ATOM 0 H SER A 40 39.293 -0.563 -5.188 1.00 0.00 H new ATOM 0 HA SER A 40 41.465 -2.396 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 40 41.417 0.607 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 42.820 -0.334 -5.244 1.00 0.00 H new ATOM 0 HG SER A 40 41.923 0.589 -7.105 1.00 0.00 H new ATOM 638 N VAL A 41 40.789 -0.892 -2.424 1.00 0.00 N ATOM 639 CA VAL A 41 41.027 -0.918 -0.988 1.00 0.00 C ATOM 640 C VAL A 41 40.730 -2.306 -0.424 1.00 0.00 C ATOM 641 O VAL A 41 41.537 -2.875 0.304 1.00 0.00 O ATOM 642 CB VAL A 41 40.159 0.131 -0.250 1.00 0.00 C ATOM 643 CG1 VAL A 41 40.457 0.130 1.243 1.00 0.00 C ATOM 644 CG2 VAL A 41 40.380 1.519 -0.836 1.00 0.00 C ATOM 0 H VAL A 41 40.058 -0.243 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 41 42.077 -0.674 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 41 39.112 -0.140 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 39.835 0.875 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 41 40.242 -0.855 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.508 0.370 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 41 39.761 2.241 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 41.430 1.795 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.108 1.516 -1.891 1.00 0.00 H new ATOM 654 N GLN A 42 39.575 -2.850 -0.789 1.00 0.00 N ATOM 655 CA GLN A 42 39.163 -4.175 -0.332 1.00 0.00 C ATOM 656 C GLN A 42 40.154 -5.245 -0.786 1.00 0.00 C ATOM 657 O GLN A 42 40.342 -6.250 -0.116 1.00 0.00 O ATOM 658 CB GLN A 42 37.761 -4.513 -0.855 1.00 0.00 C ATOM 659 CG GLN A 42 36.666 -3.554 -0.396 1.00 0.00 C ATOM 660 CD GLN A 42 36.365 -3.644 1.091 1.00 0.00 C ATOM 661 OE1 GLN A 42 37.231 -3.967 1.908 1.00 0.00 O ATOM 662 NE2 GLN A 42 35.133 -3.354 1.452 1.00 0.00 N ATOM 0 H GLN A 42 38.902 -2.392 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 42 39.144 -4.159 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 42 37.786 -4.521 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 42 37.501 -5.522 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 42 36.963 -2.533 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 42 35.754 -3.761 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 42 34.444 -3.091 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 42 34.868 -3.392 2.436 1.00 0.00 H new ATOM 671 N THR A 43 40.789 -5.012 -1.916 1.00 0.00 N ATOM 672 CA THR A 43 41.747 -5.956 -2.449 1.00 0.00 C ATOM 673 C THR A 43 43.067 -5.918 -1.666 1.00 0.00 C ATOM 674 O THR A 43 43.633 -6.964 -1.337 1.00 0.00 O ATOM 675 CB THR A 43 42.005 -5.695 -3.950 1.00 0.00 C ATOM 676 OG1 THR A 43 40.764 -5.794 -4.672 1.00 0.00 O ATOM 677 CG2 THR A 43 43.000 -6.700 -4.520 1.00 0.00 C ATOM 0 H THR A 43 40.658 -4.175 -2.484 1.00 0.00 H new ATOM 0 HA THR A 43 41.318 -6.952 -2.340 1.00 0.00 H new ATOM 0 HB THR A 43 42.425 -4.695 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 43 40.356 -4.906 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 43 43.162 -6.492 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 43 43.946 -6.619 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 43 42.604 -7.709 -4.405 1.00 0.00 H new ATOM 685 N ILE A 44 43.542 -4.719 -1.344 1.00 0.00 N ATOM 686 CA ILE A 44 44.806 -4.587 -0.632 1.00 0.00 C ATOM 687 C ILE A 44 44.677 -4.942 0.853 1.00 0.00 C ATOM 688 O ILE A 44 45.625 -5.446 1.457 1.00 0.00 O ATOM 689 CB ILE A 44 45.467 -3.180 -0.822 1.00 0.00 C ATOM 690 CG1 ILE A 44 44.535 -2.033 -0.391 1.00 0.00 C ATOM 691 CG2 ILE A 44 45.902 -2.992 -2.267 1.00 0.00 C ATOM 692 CD1 ILE A 44 44.625 -1.674 1.079 1.00 0.00 C ATOM 0 H ILE A 44 43.078 -3.837 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 44 45.477 -5.316 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 44 46.343 -3.145 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 44 44.769 -1.149 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.507 -2.310 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 44 46.360 -2.010 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.625 -3.763 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.034 -3.068 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 43.936 -0.858 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.361 -2.542 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 44 45.643 -1.363 1.316 1.00 0.00 H new ATOM 704 N VAL A 45 43.501 -4.706 1.436 1.00 0.00 N ATOM 705 CA VAL A 45 43.297 -5.022 2.845 1.00 0.00 C ATOM 706 C VAL A 45 43.292 -6.525 3.076 1.00 0.00 C ATOM 707 O VAL A 45 43.852 -7.000 4.051 1.00 0.00 O ATOM 708 CB VAL A 45 42.007 -4.387 3.441 1.00 0.00 C ATOM 709 CG1 VAL A 45 42.087 -2.874 3.404 1.00 0.00 C ATOM 710 CG2 VAL A 45 40.760 -4.875 2.723 1.00 0.00 C ATOM 0 H VAL A 45 42.691 -4.305 0.963 1.00 0.00 H new ATOM 0 HA VAL A 45 44.142 -4.578 3.371 1.00 0.00 H new ATOM 0 HB VAL A 45 41.935 -4.705 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 45 41.175 -2.451 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 45 42.945 -2.541 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 45 42.199 -2.541 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 45 39.879 -4.410 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 45 40.819 -4.607 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 45 40.686 -5.958 2.819 1.00 0.00 H new ATOM 720 N ARG A 46 42.685 -7.275 2.156 1.00 0.00 N ATOM 721 CA ARG A 46 42.626 -8.731 2.277 1.00 0.00 C ATOM 722 C ARG A 46 44.019 -9.329 2.208 1.00 0.00 C ATOM 723 O ARG A 46 44.335 -10.283 2.924 1.00 0.00 O ATOM 724 CB ARG A 46 41.735 -9.334 1.193 1.00 0.00 C ATOM 725 CG ARG A 46 40.281 -8.925 1.310 1.00 0.00 C ATOM 726 CD ARG A 46 39.431 -9.570 0.235 1.00 0.00 C ATOM 727 NE ARG A 46 38.043 -9.119 0.302 1.00 0.00 N ATOM 728 CZ ARG A 46 37.060 -9.578 -0.468 1.00 0.00 C ATOM 729 NH1 ARG A 46 37.297 -10.532 -1.365 1.00 0.00 N ATOM 730 NH2 ARG A 46 35.836 -9.088 -0.334 1.00 0.00 N ATOM 0 H ARG A 46 42.230 -6.901 1.323 1.00 0.00 H new ATOM 0 HA ARG A 46 42.192 -8.971 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 46 42.111 -9.033 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 46 41.804 -10.421 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 46 39.901 -9.207 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 46 40.201 -7.840 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 46 39.844 -9.334 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 39.467 -10.654 0.344 1.00 0.00 H new ATOM 0 HE ARG A 46 37.811 -8.401 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 46 38.237 -10.916 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 46 36.539 -10.880 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 46 35.650 -8.362 0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 46 35.080 -9.437 -0.922 1.00 0.00 H new ATOM 744 N LYS A 47 44.854 -8.757 1.353 1.00 0.00 N ATOM 745 CA LYS A 47 46.226 -9.204 1.219 1.00 0.00 C ATOM 746 C LYS A 47 46.997 -8.926 2.495 1.00 0.00 C ATOM 747 O LYS A 47 47.745 -9.771 2.974 1.00 0.00 O ATOM 748 CB LYS A 47 46.908 -8.514 0.041 1.00 0.00 C ATOM 749 CG LYS A 47 46.377 -8.939 -1.313 1.00 0.00 C ATOM 750 CD LYS A 47 47.078 -8.197 -2.435 1.00 0.00 C ATOM 751 CE LYS A 47 46.668 -8.734 -3.794 1.00 0.00 C ATOM 752 NZ LYS A 47 47.047 -10.159 -3.963 1.00 0.00 N ATOM 0 H LYS A 47 44.601 -7.981 0.742 1.00 0.00 H new ATOM 0 HA LYS A 47 46.216 -10.278 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 46.787 -7.436 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 47 47.977 -8.720 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 47 46.517 -10.012 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 45.305 -8.749 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 46.841 -7.135 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.158 -8.290 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 47 45.590 -8.628 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 47 47.138 -8.138 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 47.036 -10.404 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 48.002 -10.312 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.369 -10.761 -3.454 1.00 0.00 H new ATOM 766 N TYR A 48 46.794 -7.742 3.054 1.00 0.00 N ATOM 767 CA TYR A 48 47.463 -7.352 4.247 1.00 0.00 C ATOM 768 C TYR A 48 46.990 -8.171 5.450 1.00 0.00 C ATOM 769 O TYR A 48 47.801 -8.603 6.264 1.00 0.00 O ATOM 770 CB TYR A 48 47.259 -5.866 4.500 1.00 0.00 C ATOM 771 CG TYR A 48 47.770 -5.444 5.828 1.00 0.00 C ATOM 772 CD1 TYR A 48 49.127 -5.332 6.059 1.00 0.00 C ATOM 773 CD2 TYR A 48 46.899 -5.189 6.866 1.00 0.00 C ATOM 774 CE1 TYR A 48 49.604 -4.979 7.289 1.00 0.00 C ATOM 775 CE2 TYR A 48 47.360 -4.828 8.097 1.00 0.00 C ATOM 776 CZ TYR A 48 48.720 -4.724 8.312 1.00 0.00 C ATOM 777 OH TYR A 48 49.195 -4.379 9.553 1.00 0.00 O ATOM 0 H TYR A 48 46.158 -7.038 2.680 1.00 0.00 H new ATOM 0 HA TYR A 48 48.527 -7.547 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 48 47.764 -5.295 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 48 46.197 -5.631 4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 48 49.821 -5.526 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 48 45.835 -5.277 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 48 50.668 -4.901 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 48 46.666 -4.625 8.899 1.00 0.00 H new ATOM 0 HH TYR A 48 50.049 -3.908 9.457 1.00 0.00 H new ATOM 787 N LYS A 49 45.680 -8.378 5.558 1.00 0.00 N ATOM 788 CA LYS A 49 45.121 -9.147 6.668 1.00 0.00 C ATOM 789 C LYS A 49 45.682 -10.559 6.680 1.00 0.00 C ATOM 790 O LYS A 49 46.063 -11.077 7.732 1.00 0.00 O ATOM 791 CB LYS A 49 43.588 -9.190 6.596 1.00 0.00 C ATOM 792 CG LYS A 49 42.909 -7.833 6.767 1.00 0.00 C ATOM 793 CD LYS A 49 43.155 -7.231 8.148 1.00 0.00 C ATOM 794 CE LYS A 49 42.519 -8.068 9.247 1.00 0.00 C ATOM 795 NZ LYS A 49 42.661 -7.431 10.578 1.00 0.00 N ATOM 0 H LYS A 49 44.989 -8.027 4.895 1.00 0.00 H new ATOM 0 HA LYS A 49 45.407 -8.647 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.293 -9.611 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.219 -9.867 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.276 -7.147 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 49 41.836 -7.943 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.228 -7.152 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.751 -6.219 8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.462 -8.215 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 49 42.981 -9.055 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 42.215 -8.032 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.670 -7.313 10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 42.198 -6.500 10.568 1.00 0.00 H new ATOM 809 N HIS A 50 45.751 -11.167 5.505 1.00 0.00 N ATOM 810 CA HIS A 50 46.285 -12.515 5.375 1.00 0.00 C ATOM 811 C HIS A 50 47.802 -12.506 5.591 1.00 0.00 C ATOM 812 O HIS A 50 48.381 -13.478 6.071 1.00 0.00 O ATOM 813 CB HIS A 50 45.944 -13.091 3.992 1.00 0.00 C ATOM 814 CG HIS A 50 46.242 -14.556 3.849 1.00 0.00 C ATOM 815 ND1 HIS A 50 47.446 -15.039 3.391 1.00 0.00 N ATOM 816 CD2 HIS A 50 45.479 -15.643 4.107 1.00 0.00 C ATOM 817 CE1 HIS A 50 47.418 -16.353 3.373 1.00 0.00 C ATOM 818 NE2 HIS A 50 46.235 -16.750 3.803 1.00 0.00 N ATOM 0 H HIS A 50 45.444 -10.748 4.627 1.00 0.00 H new ATOM 0 HA HIS A 50 45.829 -13.148 6.136 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.885 -12.925 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.502 -12.542 3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 50 44.466 -15.641 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 50 48.226 -16.998 3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 50 45.931 -17.719 3.895 1.00 0.00 H new ATOM 826 N HIS A 51 48.434 -11.397 5.239 1.00 0.00 N ATOM 827 CA HIS A 51 49.875 -11.246 5.401 1.00 0.00 C ATOM 828 C HIS A 51 50.234 -11.029 6.869 1.00 0.00 C ATOM 829 O HIS A 51 51.313 -11.402 7.313 1.00 0.00 O ATOM 830 CB HIS A 51 50.391 -10.076 4.552 1.00 0.00 C ATOM 831 CG HIS A 51 51.885 -9.950 4.528 1.00 0.00 C ATOM 832 ND1 HIS A 51 52.557 -8.846 5.012 1.00 0.00 N ATOM 833 CD2 HIS A 51 52.836 -10.791 4.062 1.00 0.00 C ATOM 834 CE1 HIS A 51 53.854 -9.014 4.843 1.00 0.00 C ATOM 835 NE2 HIS A 51 54.051 -10.186 4.271 1.00 0.00 N ATOM 0 H HIS A 51 47.970 -10.583 4.837 1.00 0.00 H new ATOM 0 HA HIS A 51 50.353 -12.164 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 51 50.031 -10.196 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 51 49.965 -9.148 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 51 52.671 -11.758 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 51 54.624 -8.311 5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 51 54.959 -10.579 4.024 1.00 0.00 H new ATOM 843 N GLY A 52 49.319 -10.427 7.610 1.00 0.00 N ATOM 844 CA GLY A 52 49.549 -10.167 9.016 1.00 0.00 C ATOM 845 C GLY A 52 49.664 -11.437 9.828 1.00 0.00 C ATOM 846 O GLY A 52 50.383 -11.480 10.830 1.00 0.00 O ATOM 0 H GLY A 52 48.414 -10.111 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 52 50.462 -9.583 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 52 48.732 -9.561 9.409 1.00 0.00 H new ATOM 850 N THR A 53 48.962 -12.472 9.401 1.00 0.00 N ATOM 851 CA THR A 53 48.992 -13.746 10.083 1.00 0.00 C ATOM 852 C THR A 53 50.152 -14.608 9.590 1.00 0.00 C ATOM 853 O THR A 53 50.820 -15.281 10.382 1.00 0.00 O ATOM 854 CB THR A 53 47.665 -14.502 9.896 1.00 0.00 C ATOM 855 OG1 THR A 53 47.233 -14.381 8.536 1.00 0.00 O ATOM 856 CG2 THR A 53 46.592 -13.948 10.818 1.00 0.00 C ATOM 0 H THR A 53 48.360 -12.450 8.578 1.00 0.00 H new ATOM 0 HA THR A 53 49.135 -13.544 11.145 1.00 0.00 H new ATOM 0 HB THR A 53 47.827 -15.551 10.143 1.00 0.00 H new ATOM 0 HG1 THR A 53 46.389 -14.864 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 53 45.663 -14.498 10.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 46.913 -14.054 11.854 1.00 0.00 H new ATOM 0 HG23 THR A 53 46.429 -12.894 10.595 1.00 0.00 H new ATOM 864 N THR A 54 50.400 -14.579 8.283 1.00 0.00 N ATOM 865 CA THR A 54 51.477 -15.360 7.697 1.00 0.00 C ATOM 866 C THR A 54 52.836 -14.843 8.150 1.00 0.00 C ATOM 867 O THR A 54 53.740 -15.625 8.447 1.00 0.00 O ATOM 868 CB THR A 54 51.404 -15.366 6.158 1.00 0.00 C ATOM 869 OG1 THR A 54 51.245 -14.028 5.668 1.00 0.00 O ATOM 870 CG2 THR A 54 50.246 -16.224 5.680 1.00 0.00 C ATOM 0 H THR A 54 49.868 -14.023 7.613 1.00 0.00 H new ATOM 0 HA THR A 54 51.355 -16.385 8.047 1.00 0.00 H new ATOM 0 HB THR A 54 52.334 -15.785 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 54 51.201 -14.041 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 54 50.212 -16.215 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 54 50.382 -17.247 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 54 49.311 -15.827 6.076 1.00 0.00 H new ATOM 878 N GLN A 55 52.973 -13.529 8.213 1.00 0.00 N ATOM 879 CA GLN A 55 54.201 -12.918 8.676 1.00 0.00 C ATOM 880 C GLN A 55 54.211 -12.873 10.197 1.00 0.00 C ATOM 881 O GLN A 55 53.559 -12.023 10.812 1.00 0.00 O ATOM 882 CB GLN A 55 54.358 -11.507 8.103 1.00 0.00 C ATOM 883 CG GLN A 55 55.659 -10.823 8.498 1.00 0.00 C ATOM 884 CD GLN A 55 55.729 -9.382 8.030 1.00 0.00 C ATOM 885 OE1 GLN A 55 54.707 -8.700 7.914 1.00 0.00 O ATOM 886 NE2 GLN A 55 56.930 -8.907 7.763 1.00 0.00 N ATOM 0 H GLN A 55 52.245 -12.866 7.948 1.00 0.00 H new ATOM 0 HA GLN A 55 55.041 -13.519 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 55 54.301 -11.558 7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 55 53.521 -10.894 8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 55 55.766 -10.854 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 55 56.498 -11.378 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 55 57.750 -9.504 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 55 57.039 -7.943 7.448 1.00 0.00 H new ATOM 895 N HIS A 56 54.919 -13.804 10.797 1.00 0.00 N ATOM 896 CA HIS A 56 55.019 -13.876 12.239 1.00 0.00 C ATOM 897 C HIS A 56 56.438 -14.199 12.664 1.00 0.00 C ATOM 898 O HIS A 56 56.989 -15.224 12.285 1.00 0.00 O ATOM 899 CB HIS A 56 54.011 -14.894 12.830 1.00 0.00 C ATOM 900 CG HIS A 56 53.998 -16.250 12.165 1.00 0.00 C ATOM 901 ND1 HIS A 56 53.012 -16.642 11.282 1.00 0.00 N ATOM 902 CD2 HIS A 56 54.840 -17.305 12.268 1.00 0.00 C ATOM 903 CE1 HIS A 56 53.246 -17.870 10.873 1.00 0.00 C ATOM 904 NE2 HIS A 56 54.349 -18.299 11.453 1.00 0.00 N ATOM 0 H HIS A 56 55.439 -14.529 10.303 1.00 0.00 H new ATOM 0 HA HIS A 56 54.760 -12.896 12.639 1.00 0.00 H new ATOM 0 HB2 HIS A 56 54.234 -15.029 13.888 1.00 0.00 H new ATOM 0 HB3 HIS A 56 53.010 -14.467 12.767 1.00 0.00 H new ATOM 0 HD1 HIS A 56 52.222 -16.067 10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 56 55.731 -17.357 12.876 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.638 -18.432 10.180 1.00 0.00 H new ATOM 912 N HIS A 57 57.032 -13.305 13.425 1.00 0.00 N ATOM 913 CA HIS A 57 58.381 -13.501 13.908 1.00 0.00 C ATOM 914 C HIS A 57 58.357 -14.354 15.158 1.00 0.00 C ATOM 915 O HIS A 57 58.601 -15.566 15.057 1.00 0.00 O ATOM 916 CB HIS A 57 59.056 -12.157 14.200 1.00 0.00 C ATOM 917 CG HIS A 57 60.516 -12.274 14.525 1.00 0.00 C ATOM 918 ND1 HIS A 57 60.990 -12.625 15.773 1.00 0.00 N ATOM 919 CD2 HIS A 57 61.611 -12.093 13.752 1.00 0.00 C ATOM 920 CE1 HIS A 57 62.304 -12.654 15.754 1.00 0.00 C ATOM 921 NE2 HIS A 57 62.709 -12.335 14.539 1.00 0.00 N ATOM 0 H HIS A 57 56.599 -12.431 13.724 1.00 0.00 H new ATOM 0 HA HIS A 57 58.957 -14.010 13.135 1.00 0.00 H new ATOM 0 HB2 HIS A 57 58.936 -11.505 13.335 1.00 0.00 H new ATOM 0 HB3 HIS A 57 58.544 -11.677 15.034 1.00 0.00 H new ATOM 0 HD2 HIS A 57 61.620 -11.811 12.710 1.00 0.00 H new ATOM 0 HE1 HIS A 57 62.943 -12.897 16.590 1.00 0.00 H new ATOM 0 HE2 HIS A 57 63.681 -12.278 14.234 1.00 0.00 H new TER 929 HIS A 57