USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 406 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0651 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00367) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -0.197 (180deg=-0.916) USER MOD Single : A 23 TYR OH : rot 0:sc= -1.64 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 10:sc= 0.0409 USER MOD Single : A 35 SER OG : rot 26:sc= 0.0193 USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= -1.5! (180deg=-3.63!) USER MOD Single : A 37 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.003) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.974 42.318 5.987 1.00 0.00 N ATOM 2 CA GLY A 1 -23.108 41.866 4.915 1.00 0.00 C ATOM 3 C GLY A 1 -23.007 40.355 4.849 1.00 0.00 C ATOM 4 O GLY A 1 -23.851 39.645 5.397 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.637 43.031 5.621 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.509 41.510 6.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.398 42.738 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.484 42.244 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.113 42.288 5.054 1.00 0.00 H new ATOM 8 N SER A 2 -21.973 39.860 4.176 1.00 0.00 N ATOM 9 CA SER A 2 -21.768 38.423 4.036 1.00 0.00 C ATOM 10 C SER A 2 -20.315 38.052 4.316 1.00 0.00 C ATOM 11 O SER A 2 -19.397 38.803 3.989 1.00 0.00 O ATOM 12 CB SER A 2 -22.162 37.965 2.630 1.00 0.00 C ATOM 13 OG SER A 2 -23.540 38.186 2.389 1.00 0.00 O ATOM 0 H SER A 2 -21.264 40.433 3.719 1.00 0.00 H new ATOM 0 HA SER A 2 -22.401 37.918 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.569 38.503 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.934 36.906 2.512 1.00 0.00 H new ATOM 0 HG SER A 2 -23.766 37.887 1.484 1.00 0.00 H new ATOM 19 N SER A 3 -20.116 36.887 4.924 1.00 0.00 N ATOM 20 CA SER A 3 -18.775 36.416 5.253 1.00 0.00 C ATOM 21 C SER A 3 -18.189 35.600 4.104 1.00 0.00 C ATOM 22 O SER A 3 -17.059 35.832 3.678 1.00 0.00 O ATOM 23 CB SER A 3 -18.807 35.572 6.529 1.00 0.00 C ATOM 24 OG SER A 3 -19.143 36.363 7.655 1.00 0.00 O ATOM 0 H SER A 3 -20.865 36.252 5.199 1.00 0.00 H new ATOM 0 HA SER A 3 -18.141 37.287 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.532 34.766 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.834 35.106 6.685 1.00 0.00 H new ATOM 0 HG SER A 3 -19.158 35.800 8.457 1.00 0.00 H new ATOM 30 N GLY A 4 -18.968 34.644 3.608 1.00 0.00 N ATOM 31 CA GLY A 4 -18.510 33.808 2.514 1.00 0.00 C ATOM 32 C GLY A 4 -18.562 32.331 2.852 1.00 0.00 C ATOM 33 O GLY A 4 -18.364 31.944 4.004 1.00 0.00 O ATOM 0 H GLY A 4 -19.908 34.434 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.124 33.998 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.488 34.082 2.254 1.00 0.00 H new ATOM 37 N SER A 5 -18.830 31.504 1.847 1.00 0.00 N ATOM 38 CA SER A 5 -18.913 30.062 2.044 1.00 0.00 C ATOM 39 C SER A 5 -17.826 29.342 1.252 1.00 0.00 C ATOM 40 O SER A 5 -17.122 29.952 0.447 1.00 0.00 O ATOM 41 CB SER A 5 -20.291 29.546 1.625 1.00 0.00 C ATOM 42 OG SER A 5 -20.466 29.642 0.222 1.00 0.00 O ATOM 0 H SER A 5 -18.993 31.808 0.887 1.00 0.00 H new ATOM 0 HA SER A 5 -18.763 29.857 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.405 28.508 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.067 30.120 2.132 1.00 0.00 H new ATOM 0 HG SER A 5 -21.353 29.305 -0.021 1.00 0.00 H new ATOM 48 N SER A 6 -17.694 28.040 1.488 1.00 0.00 N ATOM 49 CA SER A 6 -16.691 27.237 0.800 1.00 0.00 C ATOM 50 C SER A 6 -17.350 26.227 -0.135 1.00 0.00 C ATOM 51 O SER A 6 -18.319 25.564 0.233 1.00 0.00 O ATOM 52 CB SER A 6 -15.807 26.508 1.814 1.00 0.00 C ATOM 53 OG SER A 6 -14.593 26.081 1.220 1.00 0.00 O ATOM 0 H SER A 6 -18.269 27.520 2.150 1.00 0.00 H new ATOM 0 HA SER A 6 -16.072 27.908 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.592 27.168 2.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.342 25.647 2.214 1.00 0.00 H new ATOM 0 HG SER A 6 -14.046 25.620 1.889 1.00 0.00 H new ATOM 59 N GLY A 7 -16.817 26.116 -1.348 1.00 0.00 N ATOM 60 CA GLY A 7 -17.365 25.186 -2.317 1.00 0.00 C ATOM 61 C GLY A 7 -16.289 24.403 -3.043 1.00 0.00 C ATOM 62 O GLY A 7 -16.284 24.333 -4.271 1.00 0.00 O ATOM 0 H GLY A 7 -16.015 26.654 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.036 24.492 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.964 25.735 -3.044 1.00 0.00 H new ATOM 66 N GLY A 8 -15.373 23.813 -2.281 1.00 0.00 N ATOM 67 CA GLY A 8 -14.299 23.040 -2.877 1.00 0.00 C ATOM 68 C GLY A 8 -13.174 22.762 -1.899 1.00 0.00 C ATOM 69 O GLY A 8 -12.526 23.686 -1.407 1.00 0.00 O ATOM 0 H GLY A 8 -15.356 23.857 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.697 22.095 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.903 23.578 -3.739 1.00 0.00 H new ATOM 73 N THR A 9 -12.941 21.485 -1.615 1.00 0.00 N ATOM 74 CA THR A 9 -11.889 21.087 -0.688 1.00 0.00 C ATOM 75 C THR A 9 -10.634 20.651 -1.435 1.00 0.00 C ATOM 76 O THR A 9 -10.713 20.117 -2.542 1.00 0.00 O ATOM 77 CB THR A 9 -12.353 19.939 0.229 1.00 0.00 C ATOM 78 OG1 THR A 9 -12.741 18.809 -0.559 1.00 0.00 O ATOM 79 CG2 THR A 9 -13.518 20.381 1.101 1.00 0.00 C ATOM 0 H THR A 9 -13.467 20.708 -2.014 1.00 0.00 H new ATOM 0 HA THR A 9 -11.659 21.960 -0.077 1.00 0.00 H new ATOM 0 HB THR A 9 -11.521 19.661 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.033 18.083 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.829 19.554 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.210 21.223 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.352 20.683 0.468 1.00 0.00 H new ATOM 87 N ASP A 10 -9.478 20.880 -0.824 1.00 0.00 N ATOM 88 CA ASP A 10 -8.205 20.508 -1.431 1.00 0.00 C ATOM 89 C ASP A 10 -7.205 20.065 -0.367 1.00 0.00 C ATOM 90 O ASP A 10 -7.002 20.751 0.633 1.00 0.00 O ATOM 91 CB ASP A 10 -7.634 21.682 -2.228 1.00 0.00 C ATOM 92 CG ASP A 10 -8.644 22.276 -3.189 1.00 0.00 C ATOM 93 OD1 ASP A 10 -9.641 22.862 -2.716 1.00 0.00 O ATOM 94 OD2 ASP A 10 -8.439 22.155 -4.415 1.00 0.00 O ATOM 0 H ASP A 10 -9.395 21.322 0.092 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.383 19.672 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.295 22.455 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.759 21.347 -2.786 1.00 0.00 H new ATOM 99 N GLY A 11 -6.583 18.911 -0.592 1.00 0.00 N ATOM 100 CA GLY A 11 -5.613 18.395 0.356 1.00 0.00 C ATOM 101 C GLY A 11 -5.317 16.924 0.140 1.00 0.00 C ATOM 102 O GLY A 11 -5.705 16.079 0.947 1.00 0.00 O ATOM 0 H GLY A 11 -6.734 18.325 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.688 18.965 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.986 18.542 1.369 1.00 0.00 H new ATOM 106 N THR A 12 -4.629 16.615 -0.955 1.00 0.00 N ATOM 107 CA THR A 12 -4.283 15.236 -1.277 1.00 0.00 C ATOM 108 C THR A 12 -2.914 14.867 -0.719 1.00 0.00 C ATOM 109 O THR A 12 -2.149 14.140 -1.352 1.00 0.00 O ATOM 110 CB THR A 12 -4.286 14.997 -2.799 1.00 0.00 C ATOM 111 OG1 THR A 12 -3.517 16.010 -3.456 1.00 0.00 O ATOM 112 CG2 THR A 12 -5.707 14.998 -3.344 1.00 0.00 C ATOM 0 H THR A 12 -4.300 17.302 -1.634 1.00 0.00 H new ATOM 0 HA THR A 12 -5.042 14.604 -0.816 1.00 0.00 H new ATOM 0 HB THR A 12 -3.840 14.021 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.523 15.850 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.684 14.827 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.282 14.206 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.175 15.961 -3.139 1.00 0.00 H new ATOM 120 N LYS A 13 -2.609 15.373 0.471 1.00 0.00 N ATOM 121 CA LYS A 13 -1.332 15.096 1.117 1.00 0.00 C ATOM 122 C LYS A 13 -0.945 13.629 0.951 1.00 0.00 C ATOM 123 O LYS A 13 -1.792 12.735 0.956 1.00 0.00 O ATOM 124 CB LYS A 13 -1.401 15.451 2.604 1.00 0.00 C ATOM 125 CG LYS A 13 -1.412 16.946 2.873 1.00 0.00 C ATOM 126 CD LYS A 13 -0.004 17.496 3.024 1.00 0.00 C ATOM 127 CE LYS A 13 0.027 19.006 2.846 1.00 0.00 C ATOM 128 NZ LYS A 13 -0.737 19.706 3.916 1.00 0.00 N ATOM 0 H LYS A 13 -3.230 15.978 1.008 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.570 15.711 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.299 15.006 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.548 15.005 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.919 17.460 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.982 17.149 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.385 17.237 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.651 17.028 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.061 19.351 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.390 19.266 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.664 20.734 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.736 19.421 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.345 19.452 4.845 1.00 0.00 H new ATOM 142 N PRO A 14 0.363 13.375 0.803 1.00 0.00 N ATOM 143 CA PRO A 14 0.891 12.017 0.635 1.00 0.00 C ATOM 144 C PRO A 14 0.774 11.188 1.910 1.00 0.00 C ATOM 145 O PRO A 14 1.661 11.216 2.762 1.00 0.00 O ATOM 146 CB PRO A 14 2.362 12.250 0.282 1.00 0.00 C ATOM 147 CG PRO A 14 2.689 13.577 0.876 1.00 0.00 C ATOM 148 CD PRO A 14 1.428 14.392 0.788 1.00 0.00 C ATOM 0 HA PRO A 14 0.341 11.456 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.997 11.465 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.515 12.251 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.014 13.472 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.503 14.058 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.336 15.082 1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.399 14.991 -0.122 1.00 0.00 H new ATOM 156 N GLU A 15 -0.326 10.451 2.031 1.00 0.00 N ATOM 157 CA GLU A 15 -0.557 9.614 3.203 1.00 0.00 C ATOM 158 C GLU A 15 -1.278 8.326 2.817 1.00 0.00 C ATOM 159 O GLU A 15 -1.763 8.184 1.694 1.00 0.00 O ATOM 160 CB GLU A 15 -1.375 10.376 4.248 1.00 0.00 C ATOM 161 CG GLU A 15 -2.849 10.495 3.898 1.00 0.00 C ATOM 162 CD GLU A 15 -3.482 11.753 4.461 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.294 12.832 3.861 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.166 11.658 5.502 1.00 0.00 O ATOM 0 H GLU A 15 -1.070 10.416 1.334 1.00 0.00 H new ATOM 0 HA GLU A 15 0.412 9.354 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.278 9.873 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.956 11.375 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.963 10.489 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.381 9.623 4.279 1.00 0.00 H new ATOM 171 N CYS A 16 -1.345 7.388 3.756 1.00 0.00 N ATOM 172 CA CYS A 16 -2.005 6.110 3.516 1.00 0.00 C ATOM 173 C CYS A 16 -3.126 5.880 4.525 1.00 0.00 C ATOM 174 O CYS A 16 -3.001 5.058 5.434 1.00 0.00 O ATOM 175 CB CYS A 16 -0.992 4.967 3.593 1.00 0.00 C ATOM 176 SG CYS A 16 -1.402 3.538 2.540 1.00 0.00 S ATOM 0 H CYS A 16 -0.950 7.489 4.691 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.439 6.135 2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.011 5.346 3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.916 4.632 4.628 1.00 0.00 H new ATOM 181 N THR A 17 -4.224 6.611 4.359 1.00 0.00 N ATOM 182 CA THR A 17 -5.368 6.487 5.254 1.00 0.00 C ATOM 183 C THR A 17 -5.637 5.028 5.605 1.00 0.00 C ATOM 184 O THR A 17 -6.178 4.724 6.668 1.00 0.00 O ATOM 185 CB THR A 17 -6.638 7.097 4.631 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.750 6.921 5.515 1.00 0.00 O ATOM 187 CG2 THR A 17 -6.944 6.452 3.288 1.00 0.00 C ATOM 0 H THR A 17 -4.345 7.295 3.613 1.00 0.00 H new ATOM 0 HA THR A 17 -5.119 7.036 6.162 1.00 0.00 H new ATOM 0 HB THR A 17 -6.465 8.162 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.553 7.313 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.845 6.898 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.107 6.613 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.099 5.382 3.425 1.00 0.00 H new ATOM 195 N LEU A 18 -5.256 4.129 4.705 1.00 0.00 N ATOM 196 CA LEU A 18 -5.455 2.700 4.919 1.00 0.00 C ATOM 197 C LEU A 18 -4.534 2.180 6.018 1.00 0.00 C ATOM 198 O LEU A 18 -4.972 1.478 6.930 1.00 0.00 O ATOM 199 CB LEU A 18 -5.205 1.929 3.622 1.00 0.00 C ATOM 200 CG LEU A 18 -4.958 0.428 3.769 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.275 -0.318 3.921 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.176 -0.104 2.577 1.00 0.00 C ATOM 0 H LEU A 18 -4.807 4.364 3.820 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.488 2.546 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.064 2.073 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.344 2.371 3.121 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.365 0.264 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.079 -1.385 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.797 0.042 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.894 -0.147 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.010 -1.174 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.742 0.073 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.216 0.408 2.514 1.00 0.00 H new ATOM 214 N CYS A 19 -3.256 2.531 5.927 1.00 0.00 N ATOM 215 CA CYS A 19 -2.272 2.103 6.913 1.00 0.00 C ATOM 216 C CYS A 19 -1.925 3.243 7.867 1.00 0.00 C ATOM 217 O CYS A 19 -1.013 3.127 8.684 1.00 0.00 O ATOM 218 CB CYS A 19 -1.005 1.602 6.217 1.00 0.00 C ATOM 219 SG CYS A 19 -1.317 0.686 4.674 1.00 0.00 S ATOM 0 H CYS A 19 -2.877 3.112 5.179 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.707 1.288 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.363 2.455 5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.456 0.958 6.904 1.00 0.00 H new ATOM 224 N GLY A 20 -2.661 4.345 7.755 1.00 0.00 N ATOM 225 CA GLY A 20 -2.417 5.490 8.613 1.00 0.00 C ATOM 226 C GLY A 20 -0.952 5.878 8.658 1.00 0.00 C ATOM 227 O GLY A 20 -0.476 6.416 9.658 1.00 0.00 O ATOM 0 H GLY A 20 -3.421 4.465 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.004 6.338 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.761 5.264 9.622 1.00 0.00 H new ATOM 231 N VAL A 21 -0.235 5.605 7.573 1.00 0.00 N ATOM 232 CA VAL A 21 1.184 5.929 7.492 1.00 0.00 C ATOM 233 C VAL A 21 1.423 7.133 6.588 1.00 0.00 C ATOM 234 O VAL A 21 1.712 6.984 5.401 1.00 0.00 O ATOM 235 CB VAL A 21 2.003 4.735 6.966 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.476 5.101 6.867 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.806 3.519 7.858 1.00 0.00 C ATOM 0 H VAL A 21 -0.614 5.160 6.737 1.00 0.00 H new ATOM 0 HA VAL A 21 1.512 6.168 8.504 1.00 0.00 H new ATOM 0 HB VAL A 21 1.647 4.485 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.039 4.246 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.597 5.941 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.849 5.379 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.392 2.685 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.134 3.754 8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.751 3.245 7.872 1.00 0.00 H new ATOM 247 N LYS A 22 1.299 8.327 7.158 1.00 0.00 N ATOM 248 CA LYS A 22 1.503 9.559 6.406 1.00 0.00 C ATOM 249 C LYS A 22 2.928 9.639 5.868 1.00 0.00 C ATOM 250 O LYS A 22 3.879 9.830 6.627 1.00 0.00 O ATOM 251 CB LYS A 22 1.211 10.774 7.288 1.00 0.00 C ATOM 252 CG LYS A 22 1.029 12.064 6.507 1.00 0.00 C ATOM 253 CD LYS A 22 2.348 12.796 6.323 1.00 0.00 C ATOM 254 CE LYS A 22 2.618 13.756 7.471 1.00 0.00 C ATOM 255 NZ LYS A 22 3.266 13.073 8.625 1.00 0.00 N ATOM 0 H LYS A 22 1.058 8.467 8.139 1.00 0.00 H new ATOM 0 HA LYS A 22 0.814 9.557 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.310 10.581 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.028 10.901 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.596 11.842 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.323 12.710 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.160 12.072 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.331 13.347 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.258 14.567 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.680 14.207 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.791 13.770 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.538 12.625 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.923 12.347 8.274 1.00 0.00 H new ATOM 269 N TYR A 23 3.070 9.492 4.555 1.00 0.00 N ATOM 270 CA TYR A 23 4.379 9.547 3.916 1.00 0.00 C ATOM 271 C TYR A 23 5.052 10.893 4.167 1.00 0.00 C ATOM 272 O TYR A 23 4.388 11.927 4.247 1.00 0.00 O ATOM 273 CB TYR A 23 4.247 9.303 2.412 1.00 0.00 C ATOM 274 CG TYR A 23 3.154 8.322 2.052 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.080 7.078 2.665 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.196 8.639 1.097 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.084 6.178 2.339 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.195 7.747 0.766 1.00 0.00 C ATOM 279 CZ TYR A 23 1.143 6.517 1.389 1.00 0.00 C ATOM 280 OH TYR A 23 0.149 5.625 1.060 1.00 0.00 O ATOM 0 H TYR A 23 2.294 9.334 3.912 1.00 0.00 H new ATOM 0 HA TYR A 23 5.000 8.764 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.050 10.252 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.197 8.933 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.814 6.809 3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.235 9.600 0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.042 5.214 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.457 8.011 0.023 1.00 0.00 H new ATOM 0 HH TYR A 23 0.256 4.806 1.588 1.00 0.00 H new ATOM 290 N SER A 24 6.375 10.872 4.291 1.00 0.00 N ATOM 291 CA SER A 24 7.139 12.090 4.535 1.00 0.00 C ATOM 292 C SER A 24 7.381 12.850 3.235 1.00 0.00 C ATOM 293 O SER A 24 7.486 12.253 2.164 1.00 0.00 O ATOM 294 CB SER A 24 8.476 11.753 5.199 1.00 0.00 C ATOM 295 OG SER A 24 8.286 11.287 6.523 1.00 0.00 O ATOM 0 H SER A 24 6.940 10.025 4.227 1.00 0.00 H new ATOM 0 HA SER A 24 6.559 12.726 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.995 10.993 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.113 12.637 5.210 1.00 0.00 H new ATOM 0 HG SER A 24 9.155 11.077 6.924 1.00 0.00 H new ATOM 301 N ALA A 25 7.469 14.172 3.338 1.00 0.00 N ATOM 302 CA ALA A 25 7.700 15.016 2.172 1.00 0.00 C ATOM 303 C ALA A 25 8.615 14.324 1.167 1.00 0.00 C ATOM 304 O ALA A 25 8.490 14.525 -0.041 1.00 0.00 O ATOM 305 CB ALA A 25 8.292 16.351 2.595 1.00 0.00 C ATOM 0 H ALA A 25 7.384 14.682 4.217 1.00 0.00 H new ATOM 0 HA ALA A 25 6.740 15.195 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.459 16.970 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.602 16.858 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.240 16.183 3.106 1.00 0.00 H new ATOM 311 N ARG A 26 9.534 13.509 1.674 1.00 0.00 N ATOM 312 CA ARG A 26 10.471 12.789 0.820 1.00 0.00 C ATOM 313 C ARG A 26 9.848 11.499 0.295 1.00 0.00 C ATOM 314 O ARG A 26 9.720 11.305 -0.914 1.00 0.00 O ATOM 315 CB ARG A 26 11.755 12.472 1.589 1.00 0.00 C ATOM 316 CG ARG A 26 12.769 11.679 0.781 1.00 0.00 C ATOM 317 CD ARG A 26 13.458 12.550 -0.258 1.00 0.00 C ATOM 318 NE ARG A 26 12.543 12.964 -1.318 1.00 0.00 N ATOM 319 CZ ARG A 26 12.049 12.132 -2.229 1.00 0.00 C ATOM 320 NH1 ARG A 26 12.379 10.848 -2.208 1.00 0.00 N ATOM 321 NH2 ARG A 26 11.222 12.584 -3.163 1.00 0.00 N ATOM 0 H ARG A 26 9.650 13.331 2.672 1.00 0.00 H new ATOM 0 HA ARG A 26 10.713 13.427 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.213 13.406 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.501 11.911 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.515 11.251 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.270 10.846 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.874 13.433 0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.294 12.002 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 26 12.268 13.945 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.014 10.496 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.998 10.212 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.965 13.571 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.843 11.945 -3.862 1.00 0.00 H new ATOM 335 N LEU A 27 9.462 10.619 1.213 1.00 0.00 N ATOM 336 CA LEU A 27 8.853 9.346 0.843 1.00 0.00 C ATOM 337 C LEU A 27 7.803 9.541 -0.246 1.00 0.00 C ATOM 338 O LEU A 27 7.396 10.666 -0.536 1.00 0.00 O ATOM 339 CB LEU A 27 8.216 8.688 2.069 1.00 0.00 C ATOM 340 CG LEU A 27 7.625 7.295 1.852 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.690 6.337 1.341 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.008 6.771 3.140 1.00 0.00 C ATOM 0 H LEU A 27 9.560 10.764 2.218 1.00 0.00 H new ATOM 0 HA LEU A 27 9.637 8.696 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.969 8.623 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.426 9.342 2.438 1.00 0.00 H new ATOM 0 HG LEU A 27 6.840 7.368 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.251 5.350 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.086 6.704 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.498 6.269 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.592 5.778 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.774 6.714 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.215 7.445 3.464 1.00 0.00 H new ATOM 354 N SER A 28 7.366 8.437 -0.844 1.00 0.00 N ATOM 355 CA SER A 28 6.365 8.486 -1.903 1.00 0.00 C ATOM 356 C SER A 28 5.401 7.308 -1.794 1.00 0.00 C ATOM 357 O SER A 28 5.724 6.282 -1.194 1.00 0.00 O ATOM 358 CB SER A 28 7.041 8.482 -3.275 1.00 0.00 C ATOM 359 OG SER A 28 7.581 9.756 -3.581 1.00 0.00 O ATOM 0 H SER A 28 7.690 7.498 -0.613 1.00 0.00 H new ATOM 0 HA SER A 28 5.797 9.410 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.834 7.734 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.318 8.197 -4.039 1.00 0.00 H new ATOM 0 HG SER A 28 7.552 10.324 -2.783 1.00 0.00 H new ATOM 365 N ILE A 29 4.219 7.463 -2.379 1.00 0.00 N ATOM 366 CA ILE A 29 3.209 6.413 -2.350 1.00 0.00 C ATOM 367 C ILE A 29 3.795 5.074 -2.787 1.00 0.00 C ATOM 368 O ILE A 29 3.487 4.032 -2.209 1.00 0.00 O ATOM 369 CB ILE A 29 2.012 6.757 -3.256 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.996 5.613 -3.253 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.486 7.047 -4.672 1.00 0.00 C ATOM 372 CD1 ILE A 29 0.108 5.597 -2.028 1.00 0.00 C ATOM 0 H ILE A 29 3.937 8.306 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 29 2.863 6.337 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 29 1.525 7.651 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.372 5.690 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.529 4.664 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.629 7.288 -5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.176 7.891 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.994 6.170 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.587 4.760 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.723 5.489 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.452 6.530 -1.972 1.00 0.00 H new ATOM 384 N ARG A 30 4.641 5.112 -3.811 1.00 0.00 N ATOM 385 CA ARG A 30 5.271 3.902 -4.326 1.00 0.00 C ATOM 386 C ARG A 30 6.161 3.259 -3.266 1.00 0.00 C ATOM 387 O ARG A 30 5.946 2.113 -2.873 1.00 0.00 O ATOM 388 CB ARG A 30 6.096 4.222 -5.574 1.00 0.00 C ATOM 389 CG ARG A 30 5.281 4.230 -6.857 1.00 0.00 C ATOM 390 CD ARG A 30 4.953 2.819 -7.317 1.00 0.00 C ATOM 391 NE ARG A 30 4.461 2.792 -8.692 1.00 0.00 N ATOM 392 CZ ARG A 30 5.256 2.786 -9.756 1.00 0.00 C ATOM 393 NH1 ARG A 30 6.573 2.805 -9.605 1.00 0.00 N ATOM 394 NH2 ARG A 30 4.734 2.761 -10.976 1.00 0.00 N ATOM 0 H ARG A 30 4.906 5.967 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 30 4.483 3.197 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.568 5.196 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.898 3.489 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.357 4.786 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.836 4.749 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.844 2.196 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.203 2.387 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 30 3.452 2.777 -8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.979 2.824 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.180 2.800 -10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.721 2.746 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.346 2.756 -11.792 1.00 0.00 H new ATOM 408 N ASP A 31 7.161 4.005 -2.809 1.00 0.00 N ATOM 409 CA ASP A 31 8.083 3.509 -1.794 1.00 0.00 C ATOM 410 C ASP A 31 7.326 2.830 -0.657 1.00 0.00 C ATOM 411 O ASP A 31 7.797 1.848 -0.083 1.00 0.00 O ATOM 412 CB ASP A 31 8.935 4.655 -1.244 1.00 0.00 C ATOM 413 CG ASP A 31 9.937 5.169 -2.258 1.00 0.00 C ATOM 414 OD1 ASP A 31 9.669 5.047 -3.472 1.00 0.00 O ATOM 415 OD2 ASP A 31 10.991 5.693 -1.839 1.00 0.00 O ATOM 0 H ASP A 31 7.354 4.955 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 31 8.737 2.773 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.283 5.472 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.465 4.315 -0.354 1.00 0.00 H new ATOM 420 N HIS A 32 6.151 3.361 -0.335 1.00 0.00 N ATOM 421 CA HIS A 32 5.329 2.807 0.735 1.00 0.00 C ATOM 422 C HIS A 32 4.716 1.474 0.314 1.00 0.00 C ATOM 423 O HIS A 32 5.092 0.419 0.825 1.00 0.00 O ATOM 424 CB HIS A 32 4.223 3.791 1.119 1.00 0.00 C ATOM 425 CG HIS A 32 3.313 3.279 2.193 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.733 3.042 3.485 1.00 0.00 N ATOM 427 CD2 HIS A 32 1.998 2.961 2.162 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.716 2.599 4.202 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.651 2.541 3.423 1.00 0.00 N ATOM 0 H HIS A 32 5.747 4.174 -0.800 1.00 0.00 H new ATOM 0 HA HIS A 32 5.969 2.636 1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.678 4.724 1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.632 4.024 0.234 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.681 3.186 3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.343 3.025 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.750 2.330 5.247 1.00 0.00 H new ATOM 437 N ILE A 33 3.772 1.531 -0.619 1.00 0.00 N ATOM 438 CA ILE A 33 3.109 0.329 -1.108 1.00 0.00 C ATOM 439 C ILE A 33 4.122 -0.758 -1.451 1.00 0.00 C ATOM 440 O ILE A 33 3.792 -1.944 -1.478 1.00 0.00 O ATOM 441 CB ILE A 33 2.251 0.625 -2.352 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.131 1.130 -3.497 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.170 1.643 -2.019 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.381 1.322 -4.797 1.00 0.00 C ATOM 0 H ILE A 33 3.449 2.397 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 33 2.461 -0.022 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 33 1.768 -0.299 -2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.584 2.077 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.945 0.423 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.572 1.842 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.529 1.248 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.634 2.569 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.068 1.681 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.950 0.372 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.584 2.052 -4.653 1.00 0.00 H new ATOM 456 N PHE A 34 5.359 -0.345 -1.711 1.00 0.00 N ATOM 457 CA PHE A 34 6.422 -1.283 -2.051 1.00 0.00 C ATOM 458 C PHE A 34 7.202 -1.696 -0.806 1.00 0.00 C ATOM 459 O PHE A 34 8.409 -1.931 -0.867 1.00 0.00 O ATOM 460 CB PHE A 34 7.370 -0.661 -3.078 1.00 0.00 C ATOM 461 CG PHE A 34 6.968 -0.922 -4.501 1.00 0.00 C ATOM 462 CD1 PHE A 34 6.110 -0.059 -5.162 1.00 0.00 C ATOM 463 CD2 PHE A 34 7.447 -2.032 -5.178 1.00 0.00 C ATOM 464 CE1 PHE A 34 5.737 -0.296 -6.472 1.00 0.00 C ATOM 465 CE2 PHE A 34 7.079 -2.275 -6.488 1.00 0.00 C ATOM 466 CZ PHE A 34 6.222 -1.406 -7.135 1.00 0.00 C ATOM 0 H PHE A 34 5.649 0.633 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 34 5.963 -2.173 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.415 0.416 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.375 -1.051 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.727 0.810 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.116 -2.715 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.068 0.386 -6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.461 -3.143 -7.005 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.932 -1.594 -8.158 1.00 0.00 H new ATOM 476 N SER A 35 6.503 -1.782 0.321 1.00 0.00 N ATOM 477 CA SER A 35 7.130 -2.162 1.582 1.00 0.00 C ATOM 478 C SER A 35 6.180 -3.003 2.429 1.00 0.00 C ATOM 479 O SER A 35 5.019 -2.642 2.625 1.00 0.00 O ATOM 480 CB SER A 35 7.558 -0.915 2.359 1.00 0.00 C ATOM 481 OG SER A 35 8.856 -0.496 1.976 1.00 0.00 O ATOM 0 H SER A 35 5.503 -1.594 0.387 1.00 0.00 H new ATOM 0 HA SER A 35 8.012 -2.760 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.845 -0.110 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.541 -1.125 3.428 1.00 0.00 H new ATOM 0 HG SER A 35 9.039 -0.794 1.060 1.00 0.00 H new ATOM 487 N LYS A 36 6.682 -4.126 2.930 1.00 0.00 N ATOM 488 CA LYS A 36 5.880 -5.020 3.758 1.00 0.00 C ATOM 489 C LYS A 36 4.896 -4.231 4.615 1.00 0.00 C ATOM 490 O LYS A 36 3.725 -4.594 4.725 1.00 0.00 O ATOM 491 CB LYS A 36 6.786 -5.869 4.653 1.00 0.00 C ATOM 492 CG LYS A 36 6.167 -7.194 5.062 1.00 0.00 C ATOM 493 CD LYS A 36 5.329 -7.052 6.322 1.00 0.00 C ATOM 494 CE LYS A 36 6.198 -6.801 7.545 1.00 0.00 C ATOM 495 NZ LYS A 36 6.425 -5.348 7.776 1.00 0.00 N ATOM 0 H LYS A 36 7.641 -4.439 2.777 1.00 0.00 H new ATOM 0 HA LYS A 36 5.314 -5.677 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.723 -6.061 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.033 -5.301 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.545 -7.572 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.955 -7.929 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.624 -6.230 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.740 -7.957 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.724 -7.238 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.157 -7.303 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.413 -5.112 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.791 -4.796 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.229 -5.120 8.772 1.00 0.00 H new ATOM 509 N GLN A 37 5.379 -3.150 5.219 1.00 0.00 N ATOM 510 CA GLN A 37 4.540 -2.310 6.066 1.00 0.00 C ATOM 511 C GLN A 37 3.152 -2.140 5.459 1.00 0.00 C ATOM 512 O GLN A 37 2.140 -2.346 6.130 1.00 0.00 O ATOM 513 CB GLN A 37 5.193 -0.941 6.269 1.00 0.00 C ATOM 514 CG GLN A 37 4.752 -0.240 7.544 1.00 0.00 C ATOM 515 CD GLN A 37 5.503 -0.728 8.767 1.00 0.00 C ATOM 516 OE1 GLN A 37 6.476 -0.110 9.201 1.00 0.00 O ATOM 517 NE2 GLN A 37 5.055 -1.843 9.332 1.00 0.00 N ATOM 0 H GLN A 37 6.346 -2.835 5.138 1.00 0.00 H new ATOM 0 HA GLN A 37 4.435 -2.802 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.276 -1.063 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.958 -0.306 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.902 0.834 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.684 -0.399 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.245 -2.324 8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.521 -2.219 10.158 1.00 0.00 H new ATOM 526 N HIS A 38 3.110 -1.761 4.185 1.00 0.00 N ATOM 527 CA HIS A 38 1.845 -1.563 3.487 1.00 0.00 C ATOM 528 C HIS A 38 1.204 -2.902 3.134 1.00 0.00 C ATOM 529 O HIS A 38 0.086 -3.196 3.558 1.00 0.00 O ATOM 530 CB HIS A 38 2.062 -0.738 2.219 1.00 0.00 C ATOM 531 CG HIS A 38 0.847 -0.650 1.347 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.040 0.467 1.291 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.305 -1.547 0.490 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.947 0.252 0.440 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.809 -0.963 -0.060 1.00 0.00 N ATOM 0 H HIS A 38 3.938 -1.585 3.616 1.00 0.00 H new ATOM 0 HA HIS A 38 1.172 -1.022 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.372 0.269 2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.880 -1.176 1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.679 -2.538 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.733 0.951 0.195 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.429 -1.397 -0.744 1.00 0.00 H new ATOM 543 N ILE A 39 1.919 -3.708 2.356 1.00 0.00 N ATOM 544 CA ILE A 39 1.419 -5.014 1.947 1.00 0.00 C ATOM 545 C ILE A 39 0.666 -5.696 3.084 1.00 0.00 C ATOM 546 O ILE A 39 -0.502 -6.057 2.941 1.00 0.00 O ATOM 547 CB ILE A 39 2.563 -5.933 1.480 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.211 -5.374 0.212 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.045 -7.344 1.240 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.361 -4.431 0.485 1.00 0.00 C ATOM 0 H ILE A 39 2.846 -3.479 1.997 1.00 0.00 H new ATOM 0 HA ILE A 39 0.737 -4.844 1.114 1.00 0.00 H new ATOM 0 HB ILE A 39 3.320 -5.973 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.569 -6.203 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.454 -4.851 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.865 -7.982 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.627 -7.740 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.272 -7.322 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.771 -4.074 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.005 -3.583 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.137 -4.955 1.043 1.00 0.00 H new ATOM 562 N SER A 40 1.343 -5.868 4.216 1.00 0.00 N ATOM 563 CA SER A 40 0.739 -6.508 5.378 1.00 0.00 C ATOM 564 C SER A 40 -0.703 -6.046 5.564 1.00 0.00 C ATOM 565 O SER A 40 -1.627 -6.859 5.613 1.00 0.00 O ATOM 566 CB SER A 40 1.552 -6.199 6.637 1.00 0.00 C ATOM 567 OG SER A 40 0.915 -6.711 7.794 1.00 0.00 O ATOM 0 H SER A 40 2.310 -5.573 4.352 1.00 0.00 H new ATOM 0 HA SER A 40 0.738 -7.585 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.548 -6.631 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.680 -5.121 6.736 1.00 0.00 H new ATOM 0 HG SER A 40 1.455 -6.502 8.584 1.00 0.00 H new ATOM 573 N LYS A 41 -0.889 -4.735 5.668 1.00 0.00 N ATOM 574 CA LYS A 41 -2.218 -4.162 5.848 1.00 0.00 C ATOM 575 C LYS A 41 -3.156 -4.603 4.730 1.00 0.00 C ATOM 576 O LYS A 41 -4.343 -4.838 4.958 1.00 0.00 O ATOM 577 CB LYS A 41 -2.136 -2.634 5.886 1.00 0.00 C ATOM 578 CG LYS A 41 -3.238 -1.986 6.706 1.00 0.00 C ATOM 579 CD LYS A 41 -2.898 -1.974 8.186 1.00 0.00 C ATOM 580 CE LYS A 41 -4.127 -1.696 9.039 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.812 -1.731 10.494 1.00 0.00 N ATOM 0 H LYS A 41 -0.136 -4.048 5.631 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.617 -4.522 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.169 -2.340 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.180 -2.251 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.397 -0.965 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.173 -2.525 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.467 -2.934 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.140 -1.215 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.536 -0.720 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.898 -2.434 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.675 -1.537 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.446 -2.671 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.095 -1.010 10.711 1.00 0.00 H new ATOM 595 N VAL A 42 -2.617 -4.716 3.520 1.00 0.00 N ATOM 596 CA VAL A 42 -3.406 -5.132 2.367 1.00 0.00 C ATOM 597 C VAL A 42 -3.751 -6.615 2.443 1.00 0.00 C ATOM 598 O VAL A 42 -4.742 -7.063 1.867 1.00 0.00 O ATOM 599 CB VAL A 42 -2.661 -4.856 1.047 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.526 -5.236 -0.145 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.241 -3.396 0.968 1.00 0.00 C ATOM 0 H VAL A 42 -1.637 -4.525 3.313 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.325 -4.547 2.385 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.761 -5.471 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.983 -5.034 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.771 -6.297 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.445 -4.650 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.716 -3.219 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.125 -2.760 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.581 -3.162 1.803 1.00 0.00 H new ATOM 611 N ARG A 43 -2.925 -7.373 3.158 1.00 0.00 N ATOM 612 CA ARG A 43 -3.142 -8.806 3.309 1.00 0.00 C ATOM 613 C ARG A 43 -4.125 -9.091 4.441 1.00 0.00 C ATOM 614 O ARG A 43 -4.881 -10.060 4.389 1.00 0.00 O ATOM 615 CB ARG A 43 -1.815 -9.518 3.580 1.00 0.00 C ATOM 616 CG ARG A 43 -0.959 -9.705 2.338 1.00 0.00 C ATOM 617 CD ARG A 43 -1.632 -10.625 1.331 1.00 0.00 C ATOM 618 NE ARG A 43 -2.475 -9.888 0.394 1.00 0.00 N ATOM 619 CZ ARG A 43 -3.441 -10.450 -0.325 1.00 0.00 C ATOM 620 NH1 ARG A 43 -3.684 -11.749 -0.214 1.00 0.00 N ATOM 621 NH2 ARG A 43 -4.166 -9.713 -1.156 1.00 0.00 N ATOM 0 H ARG A 43 -2.100 -7.018 3.641 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.566 -9.184 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.250 -8.948 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.019 -10.494 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.769 -8.736 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.009 -10.119 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.871 -11.176 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.237 -11.361 1.860 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.314 -8.887 0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.129 -12.319 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.426 -12.178 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.982 -8.714 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.907 -10.146 -1.707 1.00 0.00 H new ATOM 635 N GLU A 44 -4.106 -8.240 5.462 1.00 0.00 N ATOM 636 CA GLU A 44 -4.995 -8.402 6.607 1.00 0.00 C ATOM 637 C GLU A 44 -6.341 -7.730 6.350 1.00 0.00 C ATOM 638 O GLU A 44 -7.395 -8.352 6.486 1.00 0.00 O ATOM 639 CB GLU A 44 -4.352 -7.818 7.866 1.00 0.00 C ATOM 640 CG GLU A 44 -3.039 -8.482 8.244 1.00 0.00 C ATOM 641 CD GLU A 44 -3.219 -9.921 8.687 1.00 0.00 C ATOM 642 OE1 GLU A 44 -3.521 -10.143 9.878 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.058 -10.826 7.841 1.00 0.00 O ATOM 0 H GLU A 44 -3.486 -7.432 5.520 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.164 -9.468 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.180 -6.752 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.050 -7.913 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.361 -8.451 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.567 -7.915 9.047 1.00 0.00 H new ATOM 650 N THR A 45 -6.297 -6.454 5.979 1.00 0.00 N ATOM 651 CA THR A 45 -7.511 -5.696 5.705 1.00 0.00 C ATOM 652 C THR A 45 -8.586 -6.582 5.087 1.00 0.00 C ATOM 653 O THR A 45 -9.770 -6.445 5.394 1.00 0.00 O ATOM 654 CB THR A 45 -7.232 -4.512 4.760 1.00 0.00 C ATOM 655 OG1 THR A 45 -8.385 -3.666 4.681 1.00 0.00 O ATOM 656 CG2 THR A 45 -6.863 -5.005 3.369 1.00 0.00 C ATOM 0 H THR A 45 -5.433 -5.924 5.861 1.00 0.00 H new ATOM 0 HA THR A 45 -7.866 -5.313 6.662 1.00 0.00 H new ATOM 0 HB THR A 45 -6.392 -3.945 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.199 -2.915 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.671 -4.151 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.968 -5.625 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.685 -5.593 2.961 1.00 0.00 H new ATOM 664 N VAL A 46 -8.165 -7.494 4.215 1.00 0.00 N ATOM 665 CA VAL A 46 -9.092 -8.405 3.555 1.00 0.00 C ATOM 666 C VAL A 46 -8.870 -9.842 4.013 1.00 0.00 C ATOM 667 O VAL A 46 -9.814 -10.543 4.373 1.00 0.00 O ATOM 668 CB VAL A 46 -8.950 -8.338 2.023 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.501 -8.547 1.612 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.855 -9.365 1.359 1.00 0.00 C ATOM 0 H VAL A 46 -7.188 -7.621 3.950 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.098 -8.089 3.833 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.258 -7.347 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.420 -8.496 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.880 -7.770 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.163 -9.524 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.742 -9.304 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.580 -10.364 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.892 -9.164 1.627 1.00 0.00 H new ATOM 680 N GLY A 47 -7.612 -10.275 3.997 1.00 0.00 N ATOM 681 CA GLY A 47 -7.288 -11.626 4.413 1.00 0.00 C ATOM 682 C GLY A 47 -6.624 -12.429 3.312 1.00 0.00 C ATOM 683 O GLY A 47 -6.824 -12.155 2.128 1.00 0.00 O ATOM 0 H GLY A 47 -6.813 -9.714 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.627 -11.587 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.199 -12.134 4.730 1.00 0.00 H new ATOM 687 N SER A 48 -5.831 -13.422 3.700 1.00 0.00 N ATOM 688 CA SER A 48 -5.131 -14.263 2.737 1.00 0.00 C ATOM 689 C SER A 48 -5.852 -15.595 2.553 1.00 0.00 C ATOM 690 O SER A 48 -6.001 -16.082 1.433 1.00 0.00 O ATOM 691 CB SER A 48 -3.691 -14.508 3.193 1.00 0.00 C ATOM 692 OG SER A 48 -2.945 -15.174 2.189 1.00 0.00 O ATOM 0 H SER A 48 -5.657 -13.664 4.676 1.00 0.00 H new ATOM 0 HA SER A 48 -5.118 -13.742 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.215 -13.557 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.692 -15.104 4.106 1.00 0.00 H new ATOM 0 HG SER A 48 -2.028 -15.318 2.504 1.00 0.00 H new ATOM 698 N GLN A 49 -6.297 -16.177 3.662 1.00 0.00 N ATOM 699 CA GLN A 49 -7.002 -17.452 3.624 1.00 0.00 C ATOM 700 C GLN A 49 -8.055 -17.460 2.520 1.00 0.00 C ATOM 701 O GLN A 49 -8.808 -16.499 2.359 1.00 0.00 O ATOM 702 CB GLN A 49 -7.662 -17.735 4.975 1.00 0.00 C ATOM 703 CG GLN A 49 -8.497 -16.578 5.499 1.00 0.00 C ATOM 704 CD GLN A 49 -9.249 -16.928 6.768 1.00 0.00 C ATOM 705 OE1 GLN A 49 -9.236 -16.171 7.739 1.00 0.00 O ATOM 706 NE2 GLN A 49 -9.909 -18.080 6.766 1.00 0.00 N ATOM 0 H GLN A 49 -6.182 -15.786 4.597 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.273 -18.234 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.296 -18.617 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.888 -17.974 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.848 -15.724 5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.209 -16.272 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.892 -18.676 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.433 -18.369 7.592 1.00 0.00 H new ATOM 715 N LEU A 50 -8.100 -18.550 1.761 1.00 0.00 N ATOM 716 CA LEU A 50 -9.061 -18.683 0.671 1.00 0.00 C ATOM 717 C LEU A 50 -10.470 -18.905 1.211 1.00 0.00 C ATOM 718 O LEU A 50 -10.655 -19.188 2.395 1.00 0.00 O ATOM 719 CB LEU A 50 -8.664 -19.842 -0.245 1.00 0.00 C ATOM 720 CG LEU A 50 -8.450 -21.194 0.438 1.00 0.00 C ATOM 721 CD1 LEU A 50 -9.750 -21.982 0.482 1.00 0.00 C ATOM 722 CD2 LEU A 50 -7.367 -21.987 -0.279 1.00 0.00 C ATOM 0 H LEU A 50 -7.483 -19.353 1.880 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.054 -17.756 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.437 -19.959 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.745 -19.570 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.124 -21.015 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.578 -22.941 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.498 -21.419 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.107 -22.152 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.228 -22.946 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.665 -22.156 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.432 -21.428 -0.257 1.00 0.00 H new ATOM 734 N ASP A 51 -11.460 -18.777 0.335 1.00 0.00 N ATOM 735 CA ASP A 51 -12.853 -18.967 0.722 1.00 0.00 C ATOM 736 C ASP A 51 -13.240 -20.441 0.654 1.00 0.00 C ATOM 737 O ASP A 51 -12.657 -21.211 -0.109 1.00 0.00 O ATOM 738 CB ASP A 51 -13.773 -18.143 -0.181 1.00 0.00 C ATOM 739 CG ASP A 51 -13.623 -18.506 -1.645 1.00 0.00 C ATOM 740 OD1 ASP A 51 -12.540 -18.996 -2.028 1.00 0.00 O ATOM 741 OD2 ASP A 51 -14.590 -18.302 -2.408 1.00 0.00 O ATOM 0 H ASP A 51 -11.324 -18.542 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.968 -18.627 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.808 -18.295 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.554 -17.084 -0.048 1.00 0.00 H new ATOM 746 N ARG A 52 -14.226 -20.826 1.457 1.00 0.00 N ATOM 747 CA ARG A 52 -14.689 -22.208 1.489 1.00 0.00 C ATOM 748 C ARG A 52 -14.834 -22.767 0.077 1.00 0.00 C ATOM 749 O ARG A 52 -14.095 -23.665 -0.324 1.00 0.00 O ATOM 750 CB ARG A 52 -16.027 -22.303 2.226 1.00 0.00 C ATOM 751 CG ARG A 52 -15.944 -21.912 3.692 1.00 0.00 C ATOM 752 CD ARG A 52 -17.297 -21.472 4.229 1.00 0.00 C ATOM 753 NE ARG A 52 -17.665 -20.139 3.759 1.00 0.00 N ATOM 754 CZ ARG A 52 -18.910 -19.675 3.766 1.00 0.00 C ATOM 755 NH1 ARG A 52 -19.900 -20.433 4.217 1.00 0.00 N ATOM 756 NH2 ARG A 52 -19.166 -18.452 3.322 1.00 0.00 N ATOM 0 H ARG A 52 -14.720 -20.201 2.094 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.945 -22.801 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.753 -21.660 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.401 -23.324 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.577 -22.757 4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.223 -21.104 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.059 -22.188 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.274 -21.479 5.319 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.926 -19.531 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.706 -21.374 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.855 -20.075 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.407 -17.866 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.122 -18.097 3.328 1.00 0.00 H new ATOM 770 N GLU A 53 -15.791 -22.227 -0.672 1.00 0.00 N ATOM 771 CA GLU A 53 -16.032 -22.673 -2.040 1.00 0.00 C ATOM 772 C GLU A 53 -15.429 -21.697 -3.045 1.00 0.00 C ATOM 773 O GLU A 53 -15.634 -20.486 -2.952 1.00 0.00 O ATOM 774 CB GLU A 53 -17.534 -22.821 -2.293 1.00 0.00 C ATOM 775 CG GLU A 53 -18.211 -23.823 -1.373 1.00 0.00 C ATOM 776 CD GLU A 53 -19.722 -23.689 -1.375 1.00 0.00 C ATOM 777 OE1 GLU A 53 -20.322 -23.776 -2.467 1.00 0.00 O ATOM 778 OE2 GLU A 53 -20.303 -23.497 -0.287 1.00 0.00 O ATOM 0 H GLU A 53 -16.411 -21.481 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.551 -23.643 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -18.012 -21.849 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -17.691 -23.127 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.939 -24.833 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.839 -23.687 -0.357 1.00 0.00 H new ATOM 785 N LYS A 54 -14.684 -22.231 -4.006 1.00 0.00 N ATOM 786 CA LYS A 54 -14.050 -21.409 -5.030 1.00 0.00 C ATOM 787 C LYS A 54 -14.977 -21.221 -6.227 1.00 0.00 C ATOM 788 O LYS A 54 -15.798 -22.087 -6.531 1.00 0.00 O ATOM 789 CB LYS A 54 -12.736 -22.048 -5.485 1.00 0.00 C ATOM 790 CG LYS A 54 -12.918 -23.387 -6.179 1.00 0.00 C ATOM 791 CD LYS A 54 -11.695 -23.760 -6.999 1.00 0.00 C ATOM 792 CE LYS A 54 -11.632 -22.970 -8.298 1.00 0.00 C ATOM 793 NZ LYS A 54 -12.357 -23.658 -9.402 1.00 0.00 N ATOM 0 H LYS A 54 -14.504 -23.231 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.840 -20.431 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.225 -21.364 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.088 -22.182 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.108 -24.161 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.793 -23.346 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.794 -23.574 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.716 -24.827 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.062 -21.981 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.590 -22.823 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.290 -23.088 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.931 -24.592 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.357 -23.775 -9.141 1.00 0.00 H new ATOM 807 N ASP A 55 -14.839 -20.086 -6.904 1.00 0.00 N ATOM 808 CA ASP A 55 -15.663 -19.786 -8.069 1.00 0.00 C ATOM 809 C ASP A 55 -15.108 -20.466 -9.316 1.00 0.00 C ATOM 810 O ASP A 55 -14.189 -19.956 -9.957 1.00 0.00 O ATOM 811 CB ASP A 55 -15.740 -18.274 -8.289 1.00 0.00 C ATOM 812 CG ASP A 55 -16.759 -17.895 -9.346 1.00 0.00 C ATOM 813 OD1 ASP A 55 -17.665 -18.711 -9.617 1.00 0.00 O ATOM 814 OD2 ASP A 55 -16.651 -16.782 -9.901 1.00 0.00 O ATOM 0 H ASP A 55 -14.164 -19.359 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 55 -16.666 -20.170 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.997 -17.785 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.759 -17.902 -8.584 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.166 1.615 2.983 1.00 0.00 ZN