USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 TYR OH : rot 0:sc= -0.822 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.189) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.293 (180deg=-2.05!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 162:sc= -2.67! (180deg=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ -133:sc= -0.875 (180deg=-3.72!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 24:sc= 0.127 USER MOD Single : A -2 GLY N :NH3+ -108:sc= 0.0388 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.103 (180deg=-0.0123) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.59 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 93:sc= 0.395 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 164:sc= -0.0211 (180deg=-0.425) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.0639 (180deg=-0.681) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.581 K(o=0.58,f=-3.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.046 (180deg=-0.292) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 10.936 -15.833 -3.548 1.00 62.12 N ATOM 2 CA GLY A -2 10.646 -14.739 -4.458 1.00 34.11 C ATOM 3 C GLY A -2 11.583 -13.563 -4.270 1.00 33.45 C ATOM 4 O GLY A -2 12.112 -13.351 -3.179 1.00 12.21 O ATOM 0 H1 GLY A -2 11.363 -16.620 -4.077 1.00 62.12 H new ATOM 0 H2 GLY A -2 11.599 -15.509 -2.815 1.00 62.12 H new ATOM 0 H3 GLY A -2 10.054 -16.155 -3.100 1.00 62.12 H new ATOM 0 HA2 GLY A -2 10.718 -15.096 -5.485 1.00 34.11 H new ATOM 0 HA3 GLY A -2 9.618 -14.408 -4.307 1.00 34.11 H new ATOM 8 N SER A -1 11.792 -12.798 -5.336 1.00 33.32 N ATOM 9 CA SER A -1 12.678 -11.641 -5.286 1.00 3.33 C ATOM 10 C SER A -1 11.879 -10.343 -5.355 1.00 70.30 C ATOM 11 O SER A -1 11.043 -10.161 -6.240 1.00 72.41 O ATOM 12 CB SER A -1 13.687 -11.695 -6.434 1.00 44.13 C ATOM 13 OG SER A -1 13.030 -11.767 -7.687 1.00 62.33 O ATOM 0 H SER A -1 11.360 -12.959 -6.246 1.00 33.32 H new ATOM 0 HA SER A -1 13.216 -11.666 -4.338 1.00 3.33 H new ATOM 0 HB2 SER A -1 14.324 -10.811 -6.404 1.00 44.13 H new ATOM 0 HB3 SER A -1 14.337 -12.561 -6.310 1.00 44.13 H new ATOM 0 HG SER A -1 12.128 -11.394 -7.605 1.00 62.33 H new ATOM 19 N HIS A 0 12.143 -9.443 -4.413 1.00 62.12 N ATOM 20 CA HIS A 0 11.451 -8.160 -4.367 1.00 33.11 C ATOM 21 C HIS A 0 9.942 -8.361 -4.254 1.00 74.44 C ATOM 22 O HIS A 0 9.161 -7.511 -4.679 1.00 52.44 O ATOM 23 CB HIS A 0 11.776 -7.335 -5.612 1.00 44.44 C ATOM 24 CG HIS A 0 13.220 -6.948 -5.714 1.00 15.21 C ATOM 25 ND1 HIS A 0 13.829 -6.078 -4.836 1.00 25.15 N ATOM 26 CD2 HIS A 0 14.175 -7.320 -6.597 1.00 74.52 C ATOM 27 CE1 HIS A 0 15.097 -5.930 -5.175 1.00 63.15 C ATOM 28 NE2 HIS A 0 15.333 -6.673 -6.241 1.00 62.01 N ATOM 0 H HIS A 0 12.831 -9.578 -3.672 1.00 62.12 H new ATOM 0 HA HIS A 0 11.796 -7.621 -3.485 1.00 33.11 H new ATOM 0 HB2 HIS A 0 11.498 -7.905 -6.498 1.00 44.44 H new ATOM 0 HB3 HIS A 0 11.166 -6.432 -5.609 1.00 44.44 H new ATOM 0 HD2 HIS A 0 14.050 -7.999 -7.427 1.00 74.52 H new ATOM 0 HE1 HIS A 0 15.818 -5.307 -4.667 1.00 63.15 H new ATOM 0 HE2 HIS A 0 16.229 -6.753 -6.722 1.00 62.01 H new ATOM 36 N MET A 1 9.542 -9.492 -3.683 1.00 52.12 N ATOM 37 CA MET A 1 8.127 -9.803 -3.515 1.00 33.24 C ATOM 38 C MET A 1 7.691 -9.591 -2.070 1.00 50.43 C ATOM 39 O MET A 1 7.948 -10.426 -1.204 1.00 14.23 O ATOM 40 CB MET A 1 7.847 -11.247 -3.938 1.00 20.35 C ATOM 41 CG MET A 1 6.423 -11.697 -3.656 1.00 33.33 C ATOM 42 SD MET A 1 5.204 -10.795 -4.631 1.00 31.24 S ATOM 43 CE MET A 1 5.500 -11.479 -6.260 1.00 31.01 C ATOM 0 H MET A 1 10.177 -10.208 -3.329 1.00 52.12 H new ATOM 0 HA MET A 1 7.554 -9.128 -4.151 1.00 33.24 H new ATOM 0 HB2 MET A 1 8.048 -11.350 -5.004 1.00 20.35 H new ATOM 0 HB3 MET A 1 8.539 -11.910 -3.418 1.00 20.35 H new ATOM 0 HG2 MET A 1 6.334 -12.763 -3.867 1.00 33.33 H new ATOM 0 HG3 MET A 1 6.207 -11.562 -2.596 1.00 33.33 H new ATOM 0 HE1 MET A 1 5.720 -10.672 -6.959 1.00 31.01 H new ATOM 0 HE2 MET A 1 6.347 -12.164 -6.219 1.00 31.01 H new ATOM 0 HE3 MET A 1 4.614 -12.018 -6.595 1.00 31.01 H new ATOM 53 N VAL A 2 7.029 -8.466 -1.815 1.00 32.41 N ATOM 54 CA VAL A 2 6.556 -8.144 -0.474 1.00 44.11 C ATOM 55 C VAL A 2 7.682 -8.261 0.548 1.00 54.34 C ATOM 56 O VAL A 2 7.583 -9.026 1.508 1.00 45.13 O ATOM 57 CB VAL A 2 5.396 -9.064 -0.052 1.00 33.21 C ATOM 58 CG1 VAL A 2 4.742 -8.551 1.222 1.00 24.35 C ATOM 59 CG2 VAL A 2 4.375 -9.183 -1.173 1.00 32.01 C ATOM 0 H VAL A 2 6.808 -7.763 -2.520 1.00 32.41 H new ATOM 0 HA VAL A 2 6.200 -7.114 -0.502 1.00 44.11 H new ATOM 0 HB VAL A 2 5.799 -10.057 0.149 1.00 33.21 H new ATOM 0 HG11 VAL A 2 3.925 -9.215 1.504 1.00 24.35 H new ATOM 0 HG12 VAL A 2 5.480 -8.523 2.024 1.00 24.35 H new ATOM 0 HG13 VAL A 2 4.352 -7.547 1.052 1.00 24.35 H new ATOM 0 HG21 VAL A 2 3.562 -9.837 -0.857 1.00 32.01 H new ATOM 0 HG22 VAL A 2 3.976 -8.196 -1.408 1.00 32.01 H new ATOM 0 HG23 VAL A 2 4.854 -9.601 -2.058 1.00 32.01 H new ATOM 69 N GLU A 3 8.749 -7.499 0.335 1.00 61.41 N ATOM 70 CA GLU A 3 9.893 -7.518 1.239 1.00 43.35 C ATOM 71 C GLU A 3 9.775 -6.418 2.290 1.00 15.34 C ATOM 72 O GLU A 3 10.267 -6.560 3.409 1.00 52.31 O ATOM 73 CB GLU A 3 11.195 -7.349 0.453 1.00 30.50 C ATOM 74 CG GLU A 3 12.445 -7.526 1.299 1.00 14.22 C ATOM 75 CD GLU A 3 12.513 -8.889 1.959 1.00 30.23 C ATOM 76 OE1 GLU A 3 12.616 -9.897 1.228 1.00 40.12 O ATOM 77 OE2 GLU A 3 12.465 -8.949 3.205 1.00 32.34 O ATOM 0 H GLU A 3 8.846 -6.861 -0.455 1.00 61.41 H new ATOM 0 HA GLU A 3 9.906 -8.482 1.747 1.00 43.35 H new ATOM 0 HB2 GLU A 3 11.213 -8.072 -0.363 1.00 30.50 H new ATOM 0 HB3 GLU A 3 11.210 -6.357 0.001 1.00 30.50 H new ATOM 0 HG2 GLU A 3 13.326 -7.385 0.673 1.00 14.22 H new ATOM 0 HG3 GLU A 3 12.472 -6.753 2.067 1.00 14.22 H new ATOM 84 N MET A 4 9.119 -5.323 1.920 1.00 1.13 N ATOM 85 CA MET A 4 8.935 -4.199 2.832 1.00 64.12 C ATOM 86 C MET A 4 7.544 -3.594 2.675 1.00 54.10 C ATOM 87 O MET A 4 7.139 -3.224 1.574 1.00 74.13 O ATOM 88 CB MET A 4 10.001 -3.130 2.578 1.00 53.22 C ATOM 89 CG MET A 4 11.257 -3.314 3.413 1.00 44.12 C ATOM 90 SD MET A 4 12.634 -2.309 2.827 1.00 22.42 S ATOM 91 CE MET A 4 12.808 -1.149 4.181 1.00 34.32 C ATOM 0 H MET A 4 8.706 -5.190 0.997 1.00 1.13 H new ATOM 0 HA MET A 4 9.037 -4.569 3.852 1.00 64.12 H new ATOM 0 HB2 MET A 4 10.272 -3.142 1.522 1.00 53.22 H new ATOM 0 HB3 MET A 4 9.576 -2.148 2.787 1.00 53.22 H new ATOM 0 HG2 MET A 4 11.040 -3.057 4.450 1.00 44.12 H new ATOM 0 HG3 MET A 4 11.547 -4.365 3.399 1.00 44.12 H new ATOM 0 HE1 MET A 4 13.623 -0.458 3.966 1.00 34.32 H new ATOM 0 HE2 MET A 4 11.881 -0.589 4.302 1.00 34.32 H new ATOM 0 HE3 MET A 4 13.026 -1.693 5.100 1.00 34.32 H new ATOM 101 N ARG A 5 6.817 -3.497 3.784 1.00 63.43 N ATOM 102 CA ARG A 5 5.471 -2.938 3.769 1.00 33.02 C ATOM 103 C ARG A 5 5.490 -1.486 3.303 1.00 32.03 C ATOM 104 O ARG A 5 4.467 -0.944 2.887 1.00 62.24 O ATOM 105 CB ARG A 5 4.842 -3.031 5.160 1.00 21.22 C ATOM 106 CG ARG A 5 5.644 -2.321 6.240 1.00 74.33 C ATOM 107 CD ARG A 5 4.752 -1.853 7.378 1.00 42.44 C ATOM 108 NE ARG A 5 4.765 -2.784 8.502 1.00 43.53 N ATOM 109 CZ ARG A 5 4.123 -2.566 9.645 1.00 1.23 C ATOM 110 NH1 ARG A 5 3.419 -1.454 9.813 1.00 32.35 N ATOM 111 NH2 ARG A 5 4.182 -3.462 10.621 1.00 5.53 N ATOM 0 H ARG A 5 7.138 -3.798 4.704 1.00 63.43 H new ATOM 0 HA ARG A 5 4.872 -3.518 3.067 1.00 33.02 H new ATOM 0 HB2 ARG A 5 3.839 -2.606 5.125 1.00 21.22 H new ATOM 0 HB3 ARG A 5 4.734 -4.081 5.431 1.00 21.22 H new ATOM 0 HG2 ARG A 5 6.409 -2.994 6.628 1.00 74.33 H new ATOM 0 HG3 ARG A 5 6.162 -1.465 5.807 1.00 74.33 H new ATOM 0 HD2 ARG A 5 5.082 -0.871 7.717 1.00 42.44 H new ATOM 0 HD3 ARG A 5 3.731 -1.738 7.014 1.00 42.44 H new ATOM 0 HE ARG A 5 5.296 -3.649 8.405 1.00 43.53 H new ATOM 0 HH11 ARG A 5 3.369 -0.764 9.064 1.00 32.35 H new ATOM 0 HH12 ARG A 5 2.927 -1.289 10.691 1.00 32.35 H new ATOM 0 HH21 ARG A 5 4.720 -4.319 10.495 1.00 5.53 H new ATOM 0 HH22 ARG A 5 3.689 -3.294 11.498 1.00 5.53 H new ATOM 125 N MET A 6 6.661 -0.861 3.376 1.00 1.35 N ATOM 126 CA MET A 6 6.813 0.528 2.961 1.00 11.02 C ATOM 127 C MET A 6 6.252 0.741 1.559 1.00 32.11 C ATOM 128 O MET A 6 6.128 -0.204 0.778 1.00 44.22 O ATOM 129 CB MET A 6 8.287 0.936 3.001 1.00 23.21 C ATOM 130 CG MET A 6 8.500 2.429 3.188 1.00 40.41 C ATOM 131 SD MET A 6 10.019 2.809 4.081 1.00 1.32 S ATOM 132 CE MET A 6 9.707 4.501 4.579 1.00 74.50 C ATOM 0 H MET A 6 7.518 -1.295 3.719 1.00 1.35 H new ATOM 0 HA MET A 6 6.252 1.152 3.656 1.00 11.02 H new ATOM 0 HB2 MET A 6 8.781 0.402 3.813 1.00 23.21 H new ATOM 0 HB3 MET A 6 8.768 0.622 2.074 1.00 23.21 H new ATOM 0 HG2 MET A 6 8.527 2.913 2.212 1.00 40.41 H new ATOM 0 HG3 MET A 6 7.651 2.848 3.728 1.00 40.41 H new ATOM 0 HE1 MET A 6 10.383 4.772 5.390 1.00 74.50 H new ATOM 0 HE2 MET A 6 9.872 5.166 3.731 1.00 74.50 H new ATOM 0 HE3 MET A 6 8.676 4.596 4.919 1.00 74.50 H new ATOM 142 N LYS A 7 5.915 1.987 1.245 1.00 54.45 N ATOM 143 CA LYS A 7 5.367 2.325 -0.064 1.00 2.40 C ATOM 144 C LYS A 7 6.085 3.532 -0.658 1.00 61.14 C ATOM 145 O LYS A 7 6.973 4.111 -0.032 1.00 2.01 O ATOM 146 CB LYS A 7 3.868 2.612 0.045 1.00 2.44 C ATOM 147 CG LYS A 7 3.511 3.550 1.185 1.00 54.43 C ATOM 148 CD LYS A 7 2.158 3.207 1.787 1.00 73.25 C ATOM 149 CE LYS A 7 1.040 3.360 0.767 1.00 53.33 C ATOM 150 NZ LYS A 7 -0.271 2.907 1.308 1.00 1.32 N ATOM 0 H LYS A 7 6.012 2.780 1.879 1.00 54.45 H new ATOM 0 HA LYS A 7 5.519 1.472 -0.725 1.00 2.40 H new ATOM 0 HB2 LYS A 7 3.520 3.044 -0.893 1.00 2.44 H new ATOM 0 HB3 LYS A 7 3.335 1.671 0.179 1.00 2.44 H new ATOM 0 HG2 LYS A 7 4.278 3.494 1.957 1.00 54.43 H new ATOM 0 HG3 LYS A 7 3.499 4.578 0.822 1.00 54.43 H new ATOM 0 HD2 LYS A 7 2.174 2.183 2.161 1.00 73.25 H new ATOM 0 HD3 LYS A 7 1.964 3.855 2.642 1.00 73.25 H new ATOM 0 HE2 LYS A 7 0.966 4.404 0.463 1.00 53.33 H new ATOM 0 HE3 LYS A 7 1.282 2.785 -0.126 1.00 53.33 H new ATOM 0 HZ1 LYS A 7 -0.740 2.293 0.612 1.00 1.32 H new ATOM 0 HZ2 LYS A 7 -0.118 2.377 2.190 1.00 1.32 H new ATOM 0 HZ3 LYS A 7 -0.872 3.734 1.500 1.00 1.32 H new ATOM 164 N LYS A 8 5.693 3.910 -1.871 1.00 3.34 N ATOM 165 CA LYS A 8 6.297 5.051 -2.550 1.00 11.23 C ATOM 166 C LYS A 8 5.254 5.816 -3.359 1.00 3.53 C ATOM 167 O LYS A 8 4.297 5.231 -3.866 1.00 54.43 O ATOM 168 CB LYS A 8 7.429 4.585 -3.467 1.00 35.30 C ATOM 169 CG LYS A 8 8.220 5.724 -4.086 1.00 55.44 C ATOM 170 CD LYS A 8 9.178 5.223 -5.152 1.00 63.33 C ATOM 171 CE LYS A 8 8.444 4.844 -6.429 1.00 33.13 C ATOM 172 NZ LYS A 8 9.325 4.110 -7.379 1.00 11.53 N ATOM 0 H LYS A 8 4.960 3.443 -2.404 1.00 3.34 H new ATOM 0 HA LYS A 8 6.705 5.719 -1.792 1.00 11.23 H new ATOM 0 HB2 LYS A 8 8.108 3.950 -2.898 1.00 35.30 H new ATOM 0 HB3 LYS A 8 7.010 3.970 -4.264 1.00 35.30 H new ATOM 0 HG2 LYS A 8 7.534 6.449 -4.524 1.00 55.44 H new ATOM 0 HG3 LYS A 8 8.779 6.244 -3.308 1.00 55.44 H new ATOM 0 HD2 LYS A 8 9.916 5.995 -5.371 1.00 63.33 H new ATOM 0 HD3 LYS A 8 9.724 4.358 -4.775 1.00 63.33 H new ATOM 0 HE2 LYS A 8 7.581 4.225 -6.182 1.00 33.13 H new ATOM 0 HE3 LYS A 8 8.063 5.745 -6.910 1.00 33.13 H new ATOM 0 HZ1 LYS A 8 8.787 3.870 -8.236 1.00 11.53 H new ATOM 0 HZ2 LYS A 8 10.135 4.710 -7.635 1.00 11.53 H new ATOM 0 HZ3 LYS A 8 9.669 3.237 -6.930 1.00 11.53 H new ATOM 186 N CYS A 9 5.449 7.125 -3.477 1.00 52.34 N ATOM 187 CA CYS A 9 4.525 7.970 -4.226 1.00 15.20 C ATOM 188 C CYS A 9 4.661 7.728 -5.726 1.00 20.31 C ATOM 189 O CYS A 9 5.710 7.967 -6.325 1.00 53.32 O ATOM 190 CB CYS A 9 4.779 9.444 -3.909 1.00 71.10 C ATOM 191 SG CYS A 9 3.599 10.578 -4.678 1.00 71.13 S ATOM 0 H CYS A 9 6.237 7.624 -3.064 1.00 52.34 H new ATOM 0 HA CYS A 9 3.510 7.711 -3.926 1.00 15.20 H new ATOM 0 HB2 CYS A 9 4.748 9.583 -2.828 1.00 71.10 H new ATOM 0 HB3 CYS A 9 5.785 9.707 -4.236 1.00 71.10 H new ATOM 196 N PRO A 10 3.577 7.241 -6.348 1.00 41.41 N ATOM 197 CA PRO A 10 3.551 6.955 -7.786 1.00 41.22 C ATOM 198 C PRO A 10 3.587 8.224 -8.629 1.00 61.24 C ATOM 199 O PRO A 10 3.679 8.165 -9.857 1.00 11.53 O ATOM 200 CB PRO A 10 2.221 6.222 -7.978 1.00 4.02 C ATOM 201 CG PRO A 10 1.364 6.693 -6.854 1.00 13.21 C ATOM 202 CD PRO A 10 2.293 6.934 -5.696 1.00 21.33 C ATOM 0 HA PRO A 10 4.420 6.379 -8.103 1.00 41.22 H new ATOM 0 HB2 PRO A 10 1.774 6.459 -8.943 1.00 4.02 H new ATOM 0 HB3 PRO A 10 2.356 5.141 -7.947 1.00 4.02 H new ATOM 0 HG2 PRO A 10 0.833 7.606 -7.124 1.00 13.21 H new ATOM 0 HG3 PRO A 10 0.609 5.948 -6.600 1.00 13.21 H new ATOM 0 HD2 PRO A 10 1.952 7.760 -5.072 1.00 21.33 H new ATOM 0 HD3 PRO A 10 2.368 6.058 -5.052 1.00 21.33 H new ATOM 210 N LYS A 11 3.513 9.374 -7.966 1.00 33.35 N ATOM 211 CA LYS A 11 3.539 10.658 -8.655 1.00 51.32 C ATOM 212 C LYS A 11 4.950 11.236 -8.677 1.00 30.45 C ATOM 213 O LYS A 11 5.397 11.769 -9.693 1.00 74.24 O ATOM 214 CB LYS A 11 2.584 11.644 -7.976 1.00 22.14 C ATOM 215 CG LYS A 11 1.389 12.021 -8.832 1.00 74.51 C ATOM 216 CD LYS A 11 0.552 10.803 -9.189 1.00 30.34 C ATOM 217 CE LYS A 11 -0.935 11.093 -9.067 1.00 41.03 C ATOM 218 NZ LYS A 11 -1.531 11.495 -10.372 1.00 43.52 N ATOM 0 H LYS A 11 3.434 9.442 -6.951 1.00 33.35 H new ATOM 0 HA LYS A 11 3.215 10.496 -9.683 1.00 51.32 H new ATOM 0 HB2 LYS A 11 2.228 11.208 -7.043 1.00 22.14 H new ATOM 0 HB3 LYS A 11 3.134 12.549 -7.716 1.00 22.14 H new ATOM 0 HG2 LYS A 11 0.772 12.744 -8.299 1.00 74.51 H new ATOM 0 HG3 LYS A 11 1.733 12.507 -9.745 1.00 74.51 H new ATOM 0 HD2 LYS A 11 0.780 10.490 -10.208 1.00 30.34 H new ATOM 0 HD3 LYS A 11 0.817 9.973 -8.533 1.00 30.34 H new ATOM 0 HE2 LYS A 11 -1.448 10.208 -8.691 1.00 41.03 H new ATOM 0 HE3 LYS A 11 -1.091 11.887 -8.336 1.00 41.03 H new ATOM 0 HZ1 LYS A 11 -2.546 11.684 -10.247 1.00 43.52 H new ATOM 0 HZ2 LYS A 11 -1.059 12.354 -10.719 1.00 43.52 H new ATOM 0 HZ3 LYS A 11 -1.405 10.728 -11.062 1.00 43.52 H new ATOM 232 N CYS A 12 5.648 11.124 -7.553 1.00 44.02 N ATOM 233 CA CYS A 12 7.010 11.635 -7.444 1.00 31.42 C ATOM 234 C CYS A 12 8.012 10.491 -7.320 1.00 70.20 C ATOM 235 O CYS A 12 8.938 10.373 -8.121 1.00 73.34 O ATOM 236 CB CYS A 12 7.133 12.568 -6.239 1.00 12.23 C ATOM 237 SG CYS A 12 5.748 13.714 -6.049 1.00 40.25 S ATOM 0 H CYS A 12 5.294 10.684 -6.704 1.00 44.02 H new ATOM 0 HA CYS A 12 7.235 12.195 -8.352 1.00 31.42 H new ATOM 0 HB2 CYS A 12 7.219 11.966 -5.334 1.00 12.23 H new ATOM 0 HB3 CYS A 12 8.055 13.142 -6.330 1.00 12.23 H new ATOM 242 N GLY A 13 7.820 9.650 -6.309 1.00 10.45 N ATOM 243 CA GLY A 13 8.714 8.527 -6.097 1.00 24.11 C ATOM 244 C GLY A 13 9.380 8.564 -4.736 1.00 45.11 C ATOM 245 O GLY A 13 10.493 8.064 -4.566 1.00 71.12 O ATOM 0 H GLY A 13 7.061 9.726 -5.632 1.00 10.45 H new ATOM 0 HA2 GLY A 13 8.155 7.597 -6.199 1.00 24.11 H new ATOM 0 HA3 GLY A 13 9.480 8.525 -6.873 1.00 24.11 H new ATOM 249 N LEU A 14 8.699 9.160 -3.763 1.00 20.24 N ATOM 250 CA LEU A 14 9.232 9.262 -2.408 1.00 33.43 C ATOM 251 C LEU A 14 8.738 8.109 -1.541 1.00 0.30 C ATOM 252 O LEU A 14 7.544 7.813 -1.505 1.00 34.54 O ATOM 253 CB LEU A 14 8.828 10.597 -1.780 1.00 21.44 C ATOM 254 CG LEU A 14 8.765 10.629 -0.254 1.00 4.54 C ATOM 255 CD1 LEU A 14 10.136 10.347 0.343 1.00 3.35 C ATOM 256 CD2 LEU A 14 8.237 11.971 0.231 1.00 53.42 C ATOM 0 H LEU A 14 7.778 9.580 -3.887 1.00 20.24 H new ATOM 0 HA LEU A 14 10.319 9.209 -2.466 1.00 33.43 H new ATOM 0 HB2 LEU A 14 9.534 11.359 -2.110 1.00 21.44 H new ATOM 0 HB3 LEU A 14 7.850 10.878 -2.170 1.00 21.44 H new ATOM 0 HG LEU A 14 8.079 9.850 0.078 1.00 4.54 H new ATOM 0 HD11 LEU A 14 10.072 10.374 1.431 1.00 3.35 H new ATOM 0 HD12 LEU A 14 10.476 9.362 0.024 1.00 3.35 H new ATOM 0 HD13 LEU A 14 10.844 11.103 0.003 1.00 3.35 H new ATOM 0 HD21 LEU A 14 8.199 11.975 1.320 1.00 53.42 H new ATOM 0 HD22 LEU A 14 8.897 12.767 -0.112 1.00 53.42 H new ATOM 0 HD23 LEU A 14 7.235 12.133 -0.167 1.00 53.42 H new ATOM 268 N TYR A 15 9.665 7.464 -0.840 1.00 51.03 N ATOM 269 CA TYR A 15 9.324 6.343 0.029 1.00 72.33 C ATOM 270 C TYR A 15 8.802 6.836 1.375 1.00 53.23 C ATOM 271 O TYR A 15 9.238 7.870 1.884 1.00 72.34 O ATOM 272 CB TYR A 15 10.543 5.445 0.240 1.00 31.23 C ATOM 273 CG TYR A 15 10.468 4.135 -0.512 1.00 11.04 C ATOM 274 CD1 TYR A 15 10.530 4.102 -1.899 1.00 72.23 C ATOM 275 CD2 TYR A 15 10.336 2.930 0.168 1.00 74.34 C ATOM 276 CE1 TYR A 15 10.461 2.908 -2.589 1.00 11.22 C ATOM 277 CE2 TYR A 15 10.267 1.730 -0.515 1.00 41.02 C ATOM 278 CZ TYR A 15 10.330 1.725 -1.893 1.00 11.14 C ATOM 279 OH TYR A 15 10.262 0.533 -2.577 1.00 14.14 O ATOM 0 H TYR A 15 10.658 7.698 -0.857 1.00 51.03 H new ATOM 0 HA TYR A 15 8.536 5.767 -0.456 1.00 72.33 H new ATOM 0 HB2 TYR A 15 11.438 5.983 -0.072 1.00 31.23 H new ATOM 0 HB3 TYR A 15 10.651 5.237 1.305 1.00 31.23 H new ATOM 0 HD1 TYR A 15 10.634 5.026 -2.448 1.00 72.23 H new ATOM 0 HD2 TYR A 15 10.287 2.931 1.247 1.00 74.34 H new ATOM 0 HE1 TYR A 15 10.509 2.901 -3.668 1.00 11.22 H new ATOM 0 HE2 TYR A 15 10.164 0.802 0.027 1.00 41.02 H new ATOM 0 HH TYR A 15 10.321 0.705 -3.540 1.00 14.14 H new ATOM 289 N THR A 16 7.864 6.089 1.949 1.00 74.53 N ATOM 290 CA THR A 16 7.281 6.448 3.235 1.00 21.43 C ATOM 291 C THR A 16 6.317 5.372 3.722 1.00 70.31 C ATOM 292 O THR A 16 6.060 4.392 3.022 1.00 75.23 O ATOM 293 CB THR A 16 6.535 7.793 3.158 1.00 45.00 C ATOM 294 OG1 THR A 16 6.124 8.201 4.468 1.00 75.34 O ATOM 295 CG2 THR A 16 5.321 7.687 2.248 1.00 54.21 C ATOM 0 H THR A 16 7.492 5.231 1.543 1.00 74.53 H new ATOM 0 HA THR A 16 8.106 6.539 3.941 1.00 21.43 H new ATOM 0 HB THR A 16 7.215 8.538 2.744 1.00 45.00 H new ATOM 0 HG1 THR A 16 5.652 9.058 4.411 1.00 75.34 H new ATOM 0 HG21 THR A 16 4.810 8.649 2.209 1.00 54.21 H new ATOM 0 HG22 THR A 16 5.642 7.406 1.245 1.00 54.21 H new ATOM 0 HG23 THR A 16 4.640 6.930 2.637 1.00 54.21 H new ATOM 303 N LEU A 17 5.785 5.561 4.924 1.00 22.52 N ATOM 304 CA LEU A 17 4.847 4.606 5.504 1.00 43.14 C ATOM 305 C LEU A 17 3.567 5.304 5.951 1.00 54.13 C ATOM 306 O LEU A 17 2.673 4.680 6.522 1.00 35.11 O ATOM 307 CB LEU A 17 5.490 3.887 6.691 1.00 11.41 C ATOM 308 CG LEU A 17 6.818 3.184 6.411 1.00 23.20 C ATOM 309 CD1 LEU A 17 7.787 3.394 7.564 1.00 32.34 C ATOM 310 CD2 LEU A 17 6.594 1.700 6.163 1.00 13.25 C ATOM 0 H LEU A 17 5.987 6.367 5.516 1.00 22.52 H new ATOM 0 HA LEU A 17 4.592 3.874 4.738 1.00 43.14 H new ATOM 0 HB2 LEU A 17 5.648 4.614 7.488 1.00 11.41 H new ATOM 0 HB3 LEU A 17 4.783 3.148 7.069 1.00 11.41 H new ATOM 0 HG LEU A 17 7.255 3.620 5.513 1.00 23.20 H new ATOM 0 HD11 LEU A 17 8.727 2.886 7.347 1.00 32.34 H new ATOM 0 HD12 LEU A 17 7.972 4.460 7.694 1.00 32.34 H new ATOM 0 HD13 LEU A 17 7.358 2.986 8.479 1.00 32.34 H new ATOM 0 HD21 LEU A 17 7.550 1.216 5.965 1.00 13.25 H new ATOM 0 HD22 LEU A 17 6.134 1.249 7.043 1.00 13.25 H new ATOM 0 HD23 LEU A 17 5.937 1.570 5.303 1.00 13.25 H new ATOM 322 N LYS A 18 3.483 6.603 5.684 1.00 73.14 N ATOM 323 CA LYS A 18 2.310 7.387 6.055 1.00 61.15 C ATOM 324 C LYS A 18 1.202 7.232 5.017 1.00 31.05 C ATOM 325 O LYS A 18 0.131 7.823 5.148 1.00 53.23 O ATOM 326 CB LYS A 18 2.684 8.864 6.200 1.00 75.41 C ATOM 327 CG LYS A 18 3.626 9.141 7.359 1.00 64.44 C ATOM 328 CD LYS A 18 3.244 10.414 8.094 1.00 3.53 C ATOM 329 CE LYS A 18 3.959 11.627 7.520 1.00 61.33 C ATOM 330 NZ LYS A 18 3.706 12.854 8.325 1.00 53.15 N ATOM 0 H LYS A 18 4.214 7.136 5.212 1.00 73.14 H new ATOM 0 HA LYS A 18 1.943 7.016 7.012 1.00 61.15 H new ATOM 0 HB2 LYS A 18 3.149 9.205 5.275 1.00 75.41 H new ATOM 0 HB3 LYS A 18 1.774 9.449 6.334 1.00 75.41 H new ATOM 0 HG2 LYS A 18 3.609 8.300 8.052 1.00 64.44 H new ATOM 0 HG3 LYS A 18 4.647 9.227 6.987 1.00 64.44 H new ATOM 0 HD2 LYS A 18 2.166 10.562 8.030 1.00 3.53 H new ATOM 0 HD3 LYS A 18 3.490 10.312 9.151 1.00 3.53 H new ATOM 0 HE2 LYS A 18 5.031 11.432 7.482 1.00 61.33 H new ATOM 0 HE3 LYS A 18 3.629 11.791 6.494 1.00 61.33 H new ATOM 0 HZ1 LYS A 18 4.211 13.658 7.900 1.00 53.15 H new ATOM 0 HZ2 LYS A 18 2.686 13.055 8.340 1.00 53.15 H new ATOM 0 HZ3 LYS A 18 4.044 12.707 9.297 1.00 53.15 H new ATOM 344 N GLU A 19 1.468 6.431 3.989 1.00 41.13 N ATOM 345 CA GLU A 19 0.492 6.200 2.932 1.00 73.31 C ATOM 346 C GLU A 19 0.160 7.498 2.202 1.00 13.34 C ATOM 347 O GLU A 19 -0.793 7.560 1.425 1.00 34.01 O ATOM 348 CB GLU A 19 -0.785 5.586 3.510 1.00 3.13 C ATOM 349 CG GLU A 19 -0.543 4.314 4.305 1.00 40.21 C ATOM 350 CD GLU A 19 -1.557 3.230 3.994 1.00 43.35 C ATOM 351 OE1 GLU A 19 -2.709 3.575 3.658 1.00 50.00 O ATOM 352 OE2 GLU A 19 -1.198 2.037 4.086 1.00 62.23 O ATOM 0 H GLU A 19 2.350 5.933 3.867 1.00 41.13 H new ATOM 0 HA GLU A 19 0.930 5.504 2.217 1.00 73.31 H new ATOM 0 HB2 GLU A 19 -1.272 6.319 4.153 1.00 3.13 H new ATOM 0 HB3 GLU A 19 -1.475 5.369 2.695 1.00 3.13 H new ATOM 0 HG2 GLU A 19 0.459 3.941 4.091 1.00 40.21 H new ATOM 0 HG3 GLU A 19 -0.577 4.544 5.370 1.00 40.21 H new ATOM 359 N ILE A 20 0.953 8.532 2.459 1.00 44.02 N ATOM 360 CA ILE A 20 0.744 9.830 1.828 1.00 71.42 C ATOM 361 C ILE A 20 2.073 10.520 1.536 1.00 3.31 C ATOM 362 O ILE A 20 3.025 10.407 2.309 1.00 32.54 O ATOM 363 CB ILE A 20 -0.119 10.753 2.708 1.00 33.34 C ATOM 364 CG1 ILE A 20 -1.476 10.104 2.988 1.00 72.44 C ATOM 365 CG2 ILE A 20 -0.300 12.106 2.037 1.00 31.10 C ATOM 366 CD1 ILE A 20 -2.359 9.998 1.763 1.00 41.22 C ATOM 0 H ILE A 20 1.746 8.497 3.099 1.00 44.02 H new ATOM 0 HA ILE A 20 0.220 9.644 0.890 1.00 71.42 H new ATOM 0 HB ILE A 20 0.391 10.907 3.659 1.00 33.34 H new ATOM 0 HG12 ILE A 20 -1.315 9.107 3.398 1.00 72.44 H new ATOM 0 HG13 ILE A 20 -1.996 10.682 3.752 1.00 72.44 H new ATOM 0 HG21 ILE A 20 -0.912 12.748 2.671 1.00 31.10 H new ATOM 0 HG22 ILE A 20 0.675 12.570 1.885 1.00 31.10 H new ATOM 0 HG23 ILE A 20 -0.792 11.972 1.074 1.00 31.10 H new ATOM 0 HD11 ILE A 20 -3.304 9.529 2.035 1.00 41.22 H new ATOM 0 HD12 ILE A 20 -2.550 10.995 1.365 1.00 41.22 H new ATOM 0 HD13 ILE A 20 -1.859 9.394 1.005 1.00 41.22 H new ATOM 378 N CYS A 21 2.129 11.236 0.419 1.00 32.45 N ATOM 379 CA CYS A 21 3.341 11.946 0.026 1.00 30.22 C ATOM 380 C CYS A 21 3.365 13.350 0.621 1.00 4.54 C ATOM 381 O CYS A 21 2.579 14.222 0.251 1.00 61.31 O ATOM 382 CB CYS A 21 3.440 12.023 -1.498 1.00 72.32 C ATOM 383 SG CYS A 21 4.900 12.905 -2.099 1.00 3.22 S ATOM 0 H CYS A 21 1.350 11.340 -0.231 1.00 32.45 H new ATOM 0 HA CYS A 21 4.198 11.393 0.411 1.00 30.22 H new ATOM 0 HB2 CYS A 21 3.448 11.011 -1.903 1.00 72.32 H new ATOM 0 HB3 CYS A 21 2.547 12.514 -1.885 1.00 72.32 H new ATOM 388 N PRO A 22 4.288 13.575 1.568 1.00 2.24 N ATOM 389 CA PRO A 22 4.436 14.872 2.237 1.00 62.33 C ATOM 390 C PRO A 22 4.990 15.944 1.304 1.00 3.43 C ATOM 391 O PRO A 22 5.063 17.118 1.666 1.00 51.42 O ATOM 392 CB PRO A 22 5.430 14.579 3.365 1.00 74.40 C ATOM 393 CG PRO A 22 6.210 13.403 2.885 1.00 12.14 C ATOM 394 CD PRO A 22 5.257 12.582 2.061 1.00 31.44 C ATOM 0 HA PRO A 22 3.480 15.263 2.585 1.00 62.33 H new ATOM 0 HB2 PRO A 22 6.079 15.434 3.553 1.00 74.40 H new ATOM 0 HB3 PRO A 22 4.915 14.358 4.300 1.00 74.40 H new ATOM 0 HG2 PRO A 22 7.067 13.720 2.290 1.00 12.14 H new ATOM 0 HG3 PRO A 22 6.599 12.825 3.723 1.00 12.14 H new ATOM 0 HD2 PRO A 22 5.767 12.077 1.241 1.00 31.44 H new ATOM 0 HD3 PRO A 22 4.772 11.810 2.658 1.00 31.44 H new ATOM 402 N LYS A 23 5.379 15.533 0.103 1.00 71.51 N ATOM 403 CA LYS A 23 5.925 16.458 -0.883 1.00 52.32 C ATOM 404 C LYS A 23 4.807 17.175 -1.634 1.00 35.32 C ATOM 405 O LYS A 23 4.700 18.401 -1.585 1.00 11.15 O ATOM 406 CB LYS A 23 6.821 15.710 -1.873 1.00 40.42 C ATOM 407 CG LYS A 23 8.195 16.336 -2.042 1.00 43.10 C ATOM 408 CD LYS A 23 9.216 15.319 -2.522 1.00 32.02 C ATOM 409 CE LYS A 23 9.510 15.480 -4.005 1.00 11.30 C ATOM 410 NZ LYS A 23 10.728 16.304 -4.242 1.00 70.11 N ATOM 0 H LYS A 23 5.326 14.564 -0.212 1.00 71.51 H new ATOM 0 HA LYS A 23 6.520 17.203 -0.355 1.00 52.32 H new ATOM 0 HB2 LYS A 23 6.939 14.680 -1.537 1.00 40.42 H new ATOM 0 HB3 LYS A 23 6.325 15.674 -2.843 1.00 40.42 H new ATOM 0 HG2 LYS A 23 8.136 17.158 -2.755 1.00 43.10 H new ATOM 0 HG3 LYS A 23 8.522 16.761 -1.093 1.00 43.10 H new ATOM 0 HD2 LYS A 23 10.139 15.432 -1.953 1.00 32.02 H new ATOM 0 HD3 LYS A 23 8.845 14.312 -2.331 1.00 32.02 H new ATOM 0 HE2 LYS A 23 9.642 14.497 -4.458 1.00 11.30 H new ATOM 0 HE3 LYS A 23 8.655 15.945 -4.496 1.00 11.30 H new ATOM 0 HZ1 LYS A 23 10.895 16.391 -5.265 1.00 70.11 H new ATOM 0 HZ2 LYS A 23 10.592 17.250 -3.832 1.00 70.11 H new ATOM 0 HZ3 LYS A 23 11.548 15.847 -3.795 1.00 70.11 H new ATOM 424 N CYS A 24 3.977 16.403 -2.326 1.00 42.33 N ATOM 425 CA CYS A 24 2.866 16.965 -3.087 1.00 12.14 C ATOM 426 C CYS A 24 1.550 16.790 -2.337 1.00 34.20 C ATOM 427 O CYS A 24 0.677 17.656 -2.383 1.00 62.00 O ATOM 428 CB CYS A 24 2.775 16.302 -4.462 1.00 32.22 C ATOM 429 SG CYS A 24 2.460 14.522 -4.404 1.00 51.15 S ATOM 0 H CYS A 24 4.052 15.387 -2.376 1.00 42.33 H new ATOM 0 HA CYS A 24 3.050 18.031 -3.217 1.00 12.14 H new ATOM 0 HB2 CYS A 24 1.981 16.782 -5.033 1.00 32.22 H new ATOM 0 HB3 CYS A 24 3.706 16.478 -5.001 1.00 32.22 H new ATOM 434 N GLY A 25 1.413 15.662 -1.647 1.00 34.24 N ATOM 435 CA GLY A 25 0.199 15.392 -0.898 1.00 73.31 C ATOM 436 C GLY A 25 -0.657 14.321 -1.546 1.00 63.43 C ATOM 437 O GLY A 25 -1.876 14.310 -1.382 1.00 24.21 O ATOM 0 H GLY A 25 2.121 14.930 -1.593 1.00 34.24 H new ATOM 0 HA2 GLY A 25 0.461 15.080 0.113 1.00 73.31 H new ATOM 0 HA3 GLY A 25 -0.381 16.311 -0.808 1.00 73.31 H new ATOM 441 N GLU A 26 -0.016 13.421 -2.285 1.00 44.22 N ATOM 442 CA GLU A 26 -0.728 12.343 -2.962 1.00 0.11 C ATOM 443 C GLU A 26 -0.458 11.003 -2.284 1.00 51.54 C ATOM 444 O GLU A 26 0.680 10.687 -1.939 1.00 23.55 O ATOM 445 CB GLU A 26 -0.314 12.275 -4.433 1.00 73.12 C ATOM 446 CG GLU A 26 -0.821 11.035 -5.151 1.00 11.45 C ATOM 447 CD GLU A 26 -2.334 10.930 -5.136 1.00 34.45 C ATOM 448 OE1 GLU A 26 -2.993 11.914 -4.742 1.00 42.01 O ATOM 449 OE2 GLU A 26 -2.858 9.862 -5.519 1.00 13.32 O ATOM 0 H GLU A 26 0.994 13.417 -2.430 1.00 44.22 H new ATOM 0 HA GLU A 26 -1.796 12.553 -2.901 1.00 0.11 H new ATOM 0 HB2 GLU A 26 -0.686 13.161 -4.948 1.00 73.12 H new ATOM 0 HB3 GLU A 26 0.774 12.303 -4.497 1.00 73.12 H new ATOM 0 HG2 GLU A 26 -0.472 11.049 -6.183 1.00 11.45 H new ATOM 0 HG3 GLU A 26 -0.394 10.148 -4.682 1.00 11.45 H new ATOM 456 N LYS A 27 -1.515 10.220 -2.094 1.00 21.50 N ATOM 457 CA LYS A 27 -1.394 8.914 -1.458 1.00 14.42 C ATOM 458 C LYS A 27 -0.290 8.089 -2.112 1.00 14.43 C ATOM 459 O LYS A 27 -0.133 8.101 -3.334 1.00 3.22 O ATOM 460 CB LYS A 27 -2.724 8.161 -1.538 1.00 13.24 C ATOM 461 CG LYS A 27 -3.363 8.198 -2.916 1.00 64.41 C ATOM 462 CD LYS A 27 -4.612 9.063 -2.928 1.00 51.10 C ATOM 463 CE LYS A 27 -5.399 8.887 -4.218 1.00 41.35 C ATOM 464 NZ LYS A 27 -5.767 10.196 -4.825 1.00 43.04 N ATOM 0 H LYS A 27 -2.465 10.468 -2.372 1.00 21.50 H new ATOM 0 HA LYS A 27 -1.133 9.070 -0.411 1.00 14.42 H new ATOM 0 HB2 LYS A 27 -2.562 7.122 -1.250 1.00 13.24 H new ATOM 0 HB3 LYS A 27 -3.418 8.588 -0.814 1.00 13.24 H new ATOM 0 HG2 LYS A 27 -2.646 8.583 -3.641 1.00 64.41 H new ATOM 0 HG3 LYS A 27 -3.618 7.185 -3.227 1.00 64.41 H new ATOM 0 HD2 LYS A 27 -5.243 8.805 -2.077 1.00 51.10 H new ATOM 0 HD3 LYS A 27 -4.332 10.110 -2.811 1.00 51.10 H new ATOM 0 HE2 LYS A 27 -4.807 8.310 -4.929 1.00 41.35 H new ATOM 0 HE3 LYS A 27 -6.303 8.313 -4.016 1.00 41.35 H new ATOM 0 HZ1 LYS A 27 -6.604 10.075 -5.431 1.00 43.04 H new ATOM 0 HZ2 LYS A 27 -5.981 10.880 -4.072 1.00 43.04 H new ATOM 0 HZ3 LYS A 27 -4.973 10.549 -5.397 1.00 43.04 H new ATOM 478 N THR A 28 0.471 7.371 -1.292 1.00 13.31 N ATOM 479 CA THR A 28 1.560 6.540 -1.791 1.00 52.44 C ATOM 480 C THR A 28 1.072 5.134 -2.120 1.00 54.10 C ATOM 481 O THR A 28 0.042 4.689 -1.613 1.00 52.33 O ATOM 482 CB THR A 28 2.709 6.448 -0.769 1.00 13.04 C ATOM 483 OG1 THR A 28 2.182 6.449 0.562 1.00 35.44 O ATOM 484 CG2 THR A 28 3.678 7.608 -0.938 1.00 53.50 C ATOM 0 H THR A 28 0.353 7.348 -0.279 1.00 13.31 H new ATOM 0 HA THR A 28 1.930 7.014 -2.700 1.00 52.44 H new ATOM 0 HB THR A 28 3.248 5.517 -0.945 1.00 13.04 H new ATOM 0 HG1 THR A 28 2.886 6.708 1.192 1.00 35.44 H new ATOM 0 HG21 THR A 28 4.481 7.521 -0.206 1.00 53.50 H new ATOM 0 HG22 THR A 28 4.100 7.586 -1.943 1.00 53.50 H new ATOM 0 HG23 THR A 28 3.149 8.549 -0.787 1.00 53.50 H new ATOM 492 N VAL A 29 1.818 4.438 -2.972 1.00 44.41 N ATOM 493 CA VAL A 29 1.462 3.080 -3.366 1.00 60.22 C ATOM 494 C VAL A 29 2.682 2.166 -3.354 1.00 65.10 C ATOM 495 O VAL A 29 3.814 2.624 -3.521 1.00 33.43 O ATOM 496 CB VAL A 29 0.828 3.053 -4.770 1.00 30.04 C ATOM 497 CG1 VAL A 29 -0.350 4.012 -4.843 1.00 63.34 C ATOM 498 CG2 VAL A 29 1.866 3.388 -5.830 1.00 21.32 C ATOM 0 H VAL A 29 2.672 4.792 -3.402 1.00 44.41 H new ATOM 0 HA VAL A 29 0.735 2.719 -2.639 1.00 60.22 H new ATOM 0 HB VAL A 29 0.458 2.046 -4.963 1.00 30.04 H new ATOM 0 HG11 VAL A 29 -0.785 3.979 -5.842 1.00 63.34 H new ATOM 0 HG12 VAL A 29 -1.102 3.721 -4.110 1.00 63.34 H new ATOM 0 HG13 VAL A 29 -0.008 5.025 -4.629 1.00 63.34 H new ATOM 0 HG21 VAL A 29 1.401 3.364 -6.815 1.00 21.32 H new ATOM 0 HG22 VAL A 29 2.269 4.383 -5.643 1.00 21.32 H new ATOM 0 HG23 VAL A 29 2.673 2.657 -5.792 1.00 21.32 H new ATOM 508 N ILE A 30 2.445 0.875 -3.156 1.00 12.21 N ATOM 509 CA ILE A 30 3.525 -0.104 -3.123 1.00 50.12 C ATOM 510 C ILE A 30 4.246 -0.172 -4.465 1.00 61.03 C ATOM 511 O ILE A 30 3.691 -0.608 -5.474 1.00 20.21 O ATOM 512 CB ILE A 30 3.003 -1.507 -2.761 1.00 11.40 C ATOM 513 CG1 ILE A 30 2.102 -1.437 -1.527 1.00 11.34 C ATOM 514 CG2 ILE A 30 4.165 -2.459 -2.523 1.00 13.33 C ATOM 515 CD1 ILE A 30 2.778 -0.824 -0.320 1.00 53.13 C ATOM 0 H ILE A 30 1.515 0.481 -3.016 1.00 12.21 H new ATOM 0 HA ILE A 30 4.224 0.223 -2.354 1.00 50.12 H new ATOM 0 HB ILE A 30 2.414 -1.886 -3.596 1.00 11.40 H new ATOM 0 HG12 ILE A 30 1.212 -0.856 -1.769 1.00 11.34 H new ATOM 0 HG13 ILE A 30 1.767 -2.443 -1.274 1.00 11.34 H new ATOM 0 HG21 ILE A 30 3.780 -3.446 -2.268 1.00 13.33 H new ATOM 0 HG22 ILE A 30 4.770 -2.528 -3.427 1.00 13.33 H new ATOM 0 HG23 ILE A 30 4.779 -2.086 -1.703 1.00 13.33 H new ATOM 0 HD11 ILE A 30 2.081 -0.806 0.518 1.00 53.13 H new ATOM 0 HD12 ILE A 30 3.652 -1.417 -0.052 1.00 53.13 H new ATOM 0 HD13 ILE A 30 3.089 0.194 -0.555 1.00 53.13 H new ATOM 527 N PRO A 31 5.513 0.267 -4.479 1.00 35.24 N ATOM 528 CA PRO A 31 6.339 0.264 -5.690 1.00 51.22 C ATOM 529 C PRO A 31 6.719 -1.146 -6.129 1.00 22.31 C ATOM 530 O PRO A 31 7.091 -1.371 -7.281 1.00 44.14 O ATOM 531 CB PRO A 31 7.584 1.048 -5.272 1.00 25.24 C ATOM 532 CG PRO A 31 7.660 0.879 -3.794 1.00 65.23 C ATOM 533 CD PRO A 31 6.238 0.800 -3.314 1.00 2.44 C ATOM 0 HA PRO A 31 5.814 0.695 -6.543 1.00 51.22 H new ATOM 0 HB2 PRO A 31 8.478 0.661 -5.761 1.00 25.24 H new ATOM 0 HB3 PRO A 31 7.500 2.100 -5.546 1.00 25.24 H new ATOM 0 HG2 PRO A 31 8.211 -0.024 -3.532 1.00 65.23 H new ATOM 0 HG3 PRO A 31 8.182 1.717 -3.332 1.00 65.23 H new ATOM 0 HD2 PRO A 31 6.142 0.146 -2.448 1.00 2.44 H new ATOM 0 HD3 PRO A 31 5.859 1.778 -3.018 1.00 2.44 H new ATOM 541 N LYS A 32 6.623 -2.095 -5.203 1.00 24.32 N ATOM 542 CA LYS A 32 6.956 -3.484 -5.494 1.00 13.42 C ATOM 543 C LYS A 32 6.069 -4.035 -6.606 1.00 64.42 C ATOM 544 O LYS A 32 5.001 -3.499 -6.903 1.00 35.43 O ATOM 545 CB LYS A 32 6.803 -4.341 -4.235 1.00 45.41 C ATOM 546 CG LYS A 32 8.127 -4.767 -3.625 1.00 31.02 C ATOM 547 CD LYS A 32 8.568 -3.815 -2.527 1.00 4.41 C ATOM 548 CE LYS A 32 10.083 -3.743 -2.426 1.00 23.44 C ATOM 549 NZ LYS A 32 10.527 -2.731 -1.428 1.00 10.51 N ATOM 0 H LYS A 32 6.317 -1.927 -4.245 1.00 24.32 H new ATOM 0 HA LYS A 32 7.993 -3.520 -5.828 1.00 13.42 H new ATOM 0 HB2 LYS A 32 6.233 -3.782 -3.492 1.00 45.41 H new ATOM 0 HB3 LYS A 32 6.222 -5.230 -4.479 1.00 45.41 H new ATOM 0 HG2 LYS A 32 8.034 -5.774 -3.219 1.00 31.02 H new ATOM 0 HG3 LYS A 32 8.891 -4.806 -4.402 1.00 31.02 H new ATOM 0 HD2 LYS A 32 8.168 -2.820 -2.724 1.00 4.41 H new ATOM 0 HD3 LYS A 32 8.154 -4.142 -1.573 1.00 4.41 H new ATOM 0 HE2 LYS A 32 10.475 -4.722 -2.149 1.00 23.44 H new ATOM 0 HE3 LYS A 32 10.500 -3.497 -3.402 1.00 23.44 H new ATOM 0 HZ1 LYS A 32 11.516 -2.915 -1.164 1.00 10.51 H new ATOM 0 HZ2 LYS A 32 10.450 -1.779 -1.841 1.00 10.51 H new ATOM 0 HZ3 LYS A 32 9.926 -2.791 -0.582 1.00 10.51 H new ATOM 563 N PRO A 33 6.521 -5.128 -7.237 1.00 35.13 N ATOM 564 CA PRO A 33 5.782 -5.776 -8.326 1.00 1.54 C ATOM 565 C PRO A 33 4.511 -6.462 -7.836 1.00 21.15 C ATOM 566 O PRO A 33 4.296 -6.643 -6.637 1.00 44.15 O ATOM 567 CB PRO A 33 6.775 -6.811 -8.862 1.00 65.13 C ATOM 568 CG PRO A 33 7.676 -7.102 -7.713 1.00 21.10 C ATOM 569 CD PRO A 33 7.786 -5.819 -6.936 1.00 30.34 C ATOM 0 HA PRO A 33 5.447 -5.058 -9.075 1.00 1.54 H new ATOM 0 HB2 PRO A 33 6.263 -7.711 -9.202 1.00 65.13 H new ATOM 0 HB3 PRO A 33 7.333 -6.421 -9.713 1.00 65.13 H new ATOM 0 HG2 PRO A 33 7.270 -7.901 -7.092 1.00 21.10 H new ATOM 0 HG3 PRO A 33 8.655 -7.433 -8.059 1.00 21.10 H new ATOM 0 HD2 PRO A 33 7.898 -6.005 -5.868 1.00 30.34 H new ATOM 0 HD3 PRO A 33 8.649 -5.232 -7.250 1.00 30.34 H new ATOM 577 N PRO A 34 3.648 -6.856 -8.785 1.00 3.53 N ATOM 578 CA PRO A 34 2.383 -7.530 -8.472 1.00 61.41 C ATOM 579 C PRO A 34 2.595 -8.943 -7.941 1.00 43.31 C ATOM 580 O PRO A 34 3.724 -9.430 -7.874 1.00 43.01 O ATOM 581 CB PRO A 34 1.661 -7.569 -9.821 1.00 42.22 C ATOM 582 CG PRO A 34 2.750 -7.517 -10.837 1.00 2.11 C ATOM 583 CD PRO A 34 3.839 -6.674 -10.233 1.00 5.24 C ATOM 0 HA PRO A 34 1.828 -7.013 -7.689 1.00 61.41 H new ATOM 0 HB2 PRO A 34 1.066 -8.476 -9.925 1.00 42.22 H new ATOM 0 HB3 PRO A 34 0.979 -6.726 -9.929 1.00 42.22 H new ATOM 0 HG2 PRO A 34 3.115 -8.517 -11.070 1.00 2.11 H new ATOM 0 HG3 PRO A 34 2.392 -7.083 -11.771 1.00 2.11 H new ATOM 0 HD2 PRO A 34 4.827 -7.005 -10.553 1.00 5.24 H new ATOM 0 HD3 PRO A 34 3.744 -5.627 -10.522 1.00 5.24 H new ATOM 591 N LYS A 35 1.503 -9.598 -7.564 1.00 1.45 N ATOM 592 CA LYS A 35 1.568 -10.957 -7.039 1.00 43.02 C ATOM 593 C LYS A 35 1.116 -11.968 -8.089 1.00 11.10 C ATOM 594 O LYS A 35 0.578 -11.596 -9.131 1.00 60.32 O ATOM 595 CB LYS A 35 0.699 -11.084 -5.786 1.00 53.30 C ATOM 596 CG LYS A 35 1.441 -10.775 -4.497 1.00 54.10 C ATOM 597 CD LYS A 35 0.630 -11.180 -3.276 1.00 64.42 C ATOM 598 CE LYS A 35 1.206 -10.580 -2.002 1.00 54.20 C ATOM 599 NZ LYS A 35 0.154 -10.353 -0.973 1.00 64.43 N ATOM 0 H LYS A 35 0.561 -9.210 -7.612 1.00 1.45 H new ATOM 0 HA LYS A 35 2.605 -11.170 -6.778 1.00 43.02 H new ATOM 0 HB2 LYS A 35 -0.153 -10.410 -5.875 1.00 53.30 H new ATOM 0 HB3 LYS A 35 0.300 -12.097 -5.732 1.00 53.30 H new ATOM 0 HG2 LYS A 35 2.396 -11.300 -4.491 1.00 54.10 H new ATOM 0 HG3 LYS A 35 1.663 -9.709 -4.450 1.00 54.10 H new ATOM 0 HD2 LYS A 35 -0.403 -10.854 -3.399 1.00 64.42 H new ATOM 0 HD3 LYS A 35 0.613 -12.267 -3.193 1.00 64.42 H new ATOM 0 HE2 LYS A 35 1.970 -11.245 -1.600 1.00 54.20 H new ATOM 0 HE3 LYS A 35 1.697 -9.635 -2.235 1.00 54.20 H new ATOM 0 HZ1 LYS A 35 0.585 -9.943 -0.120 1.00 64.43 H new ATOM 0 HZ2 LYS A 35 -0.562 -9.698 -1.347 1.00 64.43 H new ATOM 0 HZ3 LYS A 35 -0.297 -11.259 -0.732 1.00 64.43 H new ATOM 613 N PHE A 36 1.337 -13.248 -7.805 1.00 42.34 N ATOM 614 CA PHE A 36 0.951 -14.311 -8.724 1.00 63.20 C ATOM 615 C PHE A 36 -0.566 -14.460 -8.780 1.00 73.14 C ATOM 616 O PHE A 36 -1.181 -15.007 -7.865 1.00 34.42 O ATOM 617 CB PHE A 36 1.590 -15.636 -8.301 1.00 53.22 C ATOM 618 CG PHE A 36 3.082 -15.560 -8.146 1.00 31.02 C ATOM 619 CD1 PHE A 36 3.873 -15.062 -9.168 1.00 4.44 C ATOM 620 CD2 PHE A 36 3.692 -15.988 -6.977 1.00 71.51 C ATOM 621 CE1 PHE A 36 5.247 -14.991 -9.028 1.00 3.23 C ATOM 622 CE2 PHE A 36 5.065 -15.919 -6.832 1.00 41.35 C ATOM 623 CZ PHE A 36 5.843 -15.421 -7.858 1.00 61.45 C ATOM 0 H PHE A 36 1.781 -13.573 -6.946 1.00 42.34 H new ATOM 0 HA PHE A 36 1.308 -14.044 -9.719 1.00 63.20 H new ATOM 0 HB2 PHE A 36 1.151 -15.957 -7.356 1.00 53.22 H new ATOM 0 HB3 PHE A 36 1.348 -16.399 -9.041 1.00 53.22 H new ATOM 0 HD1 PHE A 36 3.412 -14.725 -10.085 1.00 4.44 H new ATOM 0 HD2 PHE A 36 3.088 -16.379 -6.171 1.00 71.51 H new ATOM 0 HE1 PHE A 36 5.853 -14.600 -9.832 1.00 3.23 H new ATOM 0 HE2 PHE A 36 5.529 -16.255 -5.916 1.00 41.35 H new ATOM 0 HZ PHE A 36 6.916 -15.368 -7.746 1.00 61.45 H new ATOM 633 N SER A 37 -1.163 -13.966 -9.860 1.00 1.00 N ATOM 634 CA SER A 37 -2.609 -14.039 -10.034 1.00 43.44 C ATOM 635 C SER A 37 -2.966 -14.823 -11.293 1.00 0.50 C ATOM 636 O SER A 37 -2.371 -14.623 -12.353 1.00 34.33 O ATOM 637 CB SER A 37 -3.207 -12.632 -10.109 1.00 21.13 C ATOM 638 OG SER A 37 -4.455 -12.644 -10.780 1.00 31.01 O ATOM 0 H SER A 37 -0.668 -13.511 -10.627 1.00 1.00 H new ATOM 0 HA SER A 37 -3.028 -14.559 -9.172 1.00 43.44 H new ATOM 0 HB2 SER A 37 -3.335 -12.234 -9.102 1.00 21.13 H new ATOM 0 HB3 SER A 37 -2.517 -11.967 -10.629 1.00 21.13 H new ATOM 0 HG SER A 37 -5.178 -12.742 -10.125 1.00 31.01 H new ATOM 644 N LEU A 38 -3.942 -15.717 -11.169 1.00 64.34 N ATOM 645 CA LEU A 38 -4.380 -16.532 -12.297 1.00 25.10 C ATOM 646 C LEU A 38 -5.350 -15.759 -13.183 1.00 75.24 C ATOM 647 O LEU A 38 -5.449 -16.016 -14.382 1.00 75.41 O ATOM 648 CB LEU A 38 -5.042 -17.817 -11.795 1.00 64.44 C ATOM 649 CG LEU A 38 -5.269 -18.908 -12.842 1.00 42.11 C ATOM 650 CD1 LEU A 38 -3.967 -19.625 -13.158 1.00 4.14 C ATOM 651 CD2 LEU A 38 -6.322 -19.896 -12.362 1.00 42.23 C ATOM 0 H LEU A 38 -4.444 -15.895 -10.299 1.00 64.34 H new ATOM 0 HA LEU A 38 -3.503 -16.790 -12.890 1.00 25.10 H new ATOM 0 HB2 LEU A 38 -4.427 -18.231 -10.996 1.00 64.44 H new ATOM 0 HB3 LEU A 38 -6.005 -17.558 -11.355 1.00 64.44 H new ATOM 0 HG LEU A 38 -5.631 -18.438 -13.756 1.00 42.11 H new ATOM 0 HD11 LEU A 38 -4.149 -20.398 -13.905 1.00 4.14 H new ATOM 0 HD12 LEU A 38 -3.242 -18.909 -13.546 1.00 4.14 H new ATOM 0 HD13 LEU A 38 -3.574 -20.083 -12.250 1.00 4.14 H new ATOM 0 HD21 LEU A 38 -6.471 -20.666 -13.119 1.00 42.23 H new ATOM 0 HD22 LEU A 38 -5.989 -20.360 -11.434 1.00 42.23 H new ATOM 0 HD23 LEU A 38 -7.261 -19.371 -12.189 1.00 42.23 H new ATOM 663 N GLU A 39 -6.064 -14.811 -12.585 1.00 2.43 N ATOM 664 CA GLU A 39 -7.026 -14.000 -13.321 1.00 72.22 C ATOM 665 C GLU A 39 -6.336 -13.208 -14.428 1.00 43.44 C ATOM 666 O GLU A 39 -6.927 -12.935 -15.473 1.00 43.32 O ATOM 667 CB GLU A 39 -7.754 -13.045 -12.374 1.00 5.52 C ATOM 668 CG GLU A 39 -8.504 -13.750 -11.256 1.00 34.41 C ATOM 669 CD GLU A 39 -7.653 -13.950 -10.017 1.00 34.42 C ATOM 670 OE1 GLU A 39 -7.124 -12.947 -9.494 1.00 20.13 O ATOM 671 OE2 GLU A 39 -7.515 -15.109 -9.572 1.00 73.11 O ATOM 0 H GLU A 39 -5.994 -14.586 -11.593 1.00 2.43 H new ATOM 0 HA GLU A 39 -7.753 -14.671 -13.777 1.00 72.22 H new ATOM 0 HB2 GLU A 39 -7.030 -12.358 -11.937 1.00 5.52 H new ATOM 0 HB3 GLU A 39 -8.458 -12.443 -12.949 1.00 5.52 H new ATOM 0 HG2 GLU A 39 -9.389 -13.169 -10.995 1.00 34.41 H new ATOM 0 HG3 GLU A 39 -8.853 -14.719 -11.613 1.00 34.41 H new ATOM 678 N ASP A 40 -5.082 -12.841 -14.190 1.00 61.41 N ATOM 679 CA ASP A 40 -4.309 -12.080 -15.166 1.00 33.03 C ATOM 680 C ASP A 40 -4.292 -12.789 -16.517 1.00 53.45 C ATOM 681 O ASP A 40 -3.727 -13.874 -16.653 1.00 22.20 O ATOM 682 CB ASP A 40 -2.878 -11.875 -14.666 1.00 72.02 C ATOM 683 CG ASP A 40 -2.730 -10.617 -13.833 1.00 53.01 C ATOM 684 OD1 ASP A 40 -3.109 -10.646 -12.643 1.00 14.25 O ATOM 685 OD2 ASP A 40 -2.238 -9.603 -14.370 1.00 72.32 O ATOM 0 H ASP A 40 -4.578 -13.058 -13.330 1.00 61.41 H new ATOM 0 HA ASP A 40 -4.785 -11.107 -15.292 1.00 33.03 H new ATOM 0 HB2 ASP A 40 -2.577 -12.738 -14.072 1.00 72.02 H new ATOM 0 HB3 ASP A 40 -2.202 -11.824 -15.519 1.00 72.02 H new ATOM 690 N ARG A 41 -4.917 -12.168 -17.512 1.00 43.22 N ATOM 691 CA ARG A 41 -4.976 -12.741 -18.852 1.00 44.35 C ATOM 692 C ARG A 41 -3.577 -12.888 -19.442 1.00 53.30 C ATOM 693 O ARG A 41 -3.253 -13.909 -20.047 1.00 31.31 O ATOM 694 CB ARG A 41 -5.837 -11.864 -19.765 1.00 31.13 C ATOM 695 CG ARG A 41 -7.330 -12.095 -19.600 1.00 5.54 C ATOM 696 CD ARG A 41 -8.084 -11.812 -20.889 1.00 64.15 C ATOM 697 NE ARG A 41 -9.489 -11.498 -20.645 1.00 25.03 N ATOM 698 CZ ARG A 41 -10.397 -11.392 -21.608 1.00 45.14 C ATOM 699 NH1 ARG A 41 -10.049 -11.574 -22.875 1.00 2.54 N ATOM 700 NH2 ARG A 41 -11.656 -11.103 -21.306 1.00 63.44 N ATOM 0 H ARG A 41 -5.389 -11.269 -17.416 1.00 43.22 H new ATOM 0 HA ARG A 41 -5.426 -13.731 -18.779 1.00 44.35 H new ATOM 0 HB2 ARG A 41 -5.615 -10.816 -19.562 1.00 31.13 H new ATOM 0 HB3 ARG A 41 -5.561 -12.053 -20.802 1.00 31.13 H new ATOM 0 HG2 ARG A 41 -7.508 -13.125 -19.292 1.00 5.54 H new ATOM 0 HG3 ARG A 41 -7.713 -11.454 -18.805 1.00 5.54 H new ATOM 0 HD2 ARG A 41 -7.612 -10.979 -21.409 1.00 64.15 H new ATOM 0 HD3 ARG A 41 -8.015 -12.679 -21.547 1.00 64.15 H new ATOM 0 HE ARG A 41 -9.790 -11.352 -19.681 1.00 25.03 H new ATOM 0 HH11 ARG A 41 -9.082 -11.796 -23.111 1.00 2.54 H new ATOM 0 HH12 ARG A 41 -10.748 -11.492 -23.613 1.00 2.54 H new ATOM 0 HH21 ARG A 41 -11.928 -10.962 -20.333 1.00 63.44 H new ATOM 0 HH22 ARG A 41 -12.352 -11.022 -22.047 1.00 63.44 H new ATOM 714 N TRP A 42 -2.753 -11.863 -19.261 1.00 64.22 N ATOM 715 CA TRP A 42 -1.389 -11.878 -19.777 1.00 2.43 C ATOM 716 C TRP A 42 -0.388 -12.147 -18.658 1.00 40.01 C ATOM 717 O TRP A 42 0.798 -11.846 -18.788 1.00 1.54 O ATOM 718 CB TRP A 42 -1.064 -10.550 -20.459 1.00 43.13 C ATOM 719 CG TRP A 42 -1.430 -10.523 -21.912 1.00 73.40 C ATOM 720 CD1 TRP A 42 -2.489 -11.151 -22.502 1.00 75.31 C ATOM 721 CD2 TRP A 42 -0.736 -9.835 -22.958 1.00 71.25 C ATOM 722 NE1 TRP A 42 -2.495 -10.896 -23.852 1.00 51.35 N ATOM 723 CE2 TRP A 42 -1.431 -10.090 -24.157 1.00 22.20 C ATOM 724 CE3 TRP A 42 0.403 -9.026 -23.000 1.00 32.24 C ATOM 725 CZ2 TRP A 42 -1.022 -9.566 -25.381 1.00 40.41 C ATOM 726 CZ3 TRP A 42 0.808 -8.507 -24.214 1.00 75.54 C ATOM 727 CH2 TRP A 42 0.097 -8.778 -25.392 1.00 43.20 C ATOM 0 H TRP A 42 -3.005 -11.011 -18.761 1.00 64.22 H new ATOM 0 HA TRP A 42 -1.313 -12.682 -20.510 1.00 2.43 H new ATOM 0 HB2 TRP A 42 -1.591 -9.747 -19.944 1.00 43.13 H new ATOM 0 HB3 TRP A 42 0.002 -10.349 -20.357 1.00 43.13 H new ATOM 0 HD1 TRP A 42 -3.215 -11.759 -21.984 1.00 75.31 H new ATOM 0 HE1 TRP A 42 -3.181 -11.250 -24.519 1.00 51.35 H new ATOM 0 HE3 TRP A 42 0.957 -8.810 -22.098 1.00 32.24 H new ATOM 0 HZ2 TRP A 42 -1.568 -9.774 -26.289 1.00 40.41 H new ATOM 0 HZ3 TRP A 42 1.687 -7.882 -24.257 1.00 75.54 H new ATOM 0 HH2 TRP A 42 0.439 -8.357 -26.326 1.00 43.20 H new ATOM 738 N GLY A 43 -0.873 -12.717 -17.559 1.00 4.45 N ATOM 739 CA GLY A 43 -0.007 -13.017 -16.434 1.00 41.10 C ATOM 740 C GLY A 43 1.087 -14.003 -16.791 1.00 22.22 C ATOM 741 O GLY A 43 2.188 -13.948 -16.241 1.00 41.02 O ATOM 0 H GLY A 43 -1.851 -12.976 -17.428 1.00 4.45 H new ATOM 0 HA2 GLY A 43 0.445 -12.094 -16.071 1.00 41.10 H new ATOM 0 HA3 GLY A 43 -0.605 -13.422 -15.617 1.00 41.10 H new ATOM 745 N LYS A 44 0.786 -14.909 -17.716 1.00 21.05 N ATOM 746 CA LYS A 44 1.752 -15.913 -18.147 1.00 12.30 C ATOM 747 C LYS A 44 2.614 -15.383 -19.288 1.00 2.12 C ATOM 748 O LYS A 44 3.775 -15.769 -19.433 1.00 11.32 O ATOM 749 CB LYS A 44 1.031 -17.188 -18.588 1.00 13.44 C ATOM 750 CG LYS A 44 0.052 -17.721 -17.556 1.00 42.45 C ATOM 751 CD LYS A 44 -0.571 -19.033 -18.002 1.00 61.14 C ATOM 752 CE LYS A 44 -0.938 -19.909 -16.815 1.00 21.12 C ATOM 753 NZ LYS A 44 -1.951 -20.939 -17.177 1.00 25.23 N ATOM 0 H LYS A 44 -0.120 -14.968 -18.182 1.00 21.05 H new ATOM 0 HA LYS A 44 2.400 -16.144 -17.302 1.00 12.30 H new ATOM 0 HB2 LYS A 44 0.495 -16.990 -19.516 1.00 13.44 H new ATOM 0 HB3 LYS A 44 1.772 -17.958 -18.805 1.00 13.44 H new ATOM 0 HG2 LYS A 44 0.567 -17.866 -16.606 1.00 42.45 H new ATOM 0 HG3 LYS A 44 -0.733 -16.985 -17.384 1.00 42.45 H new ATOM 0 HD2 LYS A 44 -1.463 -18.830 -18.595 1.00 61.14 H new ATOM 0 HD3 LYS A 44 0.126 -19.567 -18.647 1.00 61.14 H new ATOM 0 HE2 LYS A 44 -0.042 -20.399 -16.435 1.00 21.12 H new ATOM 0 HE3 LYS A 44 -1.326 -19.285 -16.010 1.00 21.12 H new ATOM 0 HZ1 LYS A 44 -2.174 -21.515 -16.341 1.00 25.23 H new ATOM 0 HZ2 LYS A 44 -2.816 -20.471 -17.516 1.00 25.23 H new ATOM 0 HZ3 LYS A 44 -1.571 -21.551 -17.928 1.00 25.23 H new ATOM 767 N TYR A 45 2.041 -14.497 -20.095 1.00 13.41 N ATOM 768 CA TYR A 45 2.757 -13.916 -21.224 1.00 31.03 C ATOM 769 C TYR A 45 4.087 -13.318 -20.776 1.00 32.50 C ATOM 770 O TYR A 45 5.048 -13.269 -21.545 1.00 45.42 O ATOM 771 CB TYR A 45 1.902 -12.840 -21.897 1.00 64.32 C ATOM 772 CG TYR A 45 2.596 -12.150 -23.050 1.00 14.31 C ATOM 773 CD1 TYR A 45 3.459 -11.084 -22.831 1.00 22.05 C ATOM 774 CD2 TYR A 45 2.388 -12.566 -24.360 1.00 71.31 C ATOM 775 CE1 TYR A 45 4.093 -10.451 -23.881 1.00 61.42 C ATOM 776 CE2 TYR A 45 3.019 -11.939 -25.417 1.00 24.44 C ATOM 777 CZ TYR A 45 3.871 -10.882 -25.172 1.00 25.51 C ATOM 778 OH TYR A 45 4.503 -10.255 -26.222 1.00 51.34 O ATOM 0 H TYR A 45 1.082 -14.165 -19.988 1.00 13.41 H new ATOM 0 HA TYR A 45 2.960 -14.711 -21.941 1.00 31.03 H new ATOM 0 HB2 TYR A 45 0.979 -13.294 -22.258 1.00 64.32 H new ATOM 0 HB3 TYR A 45 1.620 -12.094 -21.154 1.00 64.32 H new ATOM 0 HD1 TYR A 45 3.637 -10.744 -21.821 1.00 22.05 H new ATOM 0 HD2 TYR A 45 1.722 -13.393 -24.555 1.00 71.31 H new ATOM 0 HE1 TYR A 45 4.760 -9.622 -23.692 1.00 61.42 H new ATOM 0 HE2 TYR A 45 2.846 -12.274 -26.429 1.00 24.44 H new ATOM 0 HH TYR A 45 4.239 -10.681 -27.064 1.00 51.34 H new ATOM 788 N ARG A 46 4.135 -12.867 -19.527 1.00 53.32 N ATOM 789 CA ARG A 46 5.346 -12.272 -18.975 1.00 33.02 C ATOM 790 C ARG A 46 6.544 -13.197 -19.170 1.00 10.25 C ATOM 791 O ARG A 46 7.666 -12.740 -19.380 1.00 24.32 O ATOM 792 CB ARG A 46 5.159 -11.969 -17.488 1.00 43.32 C ATOM 793 CG ARG A 46 6.300 -11.168 -16.881 1.00 40.24 C ATOM 794 CD ARG A 46 5.869 -10.462 -15.605 1.00 13.24 C ATOM 795 NE ARG A 46 5.984 -11.330 -14.435 1.00 10.12 N ATOM 796 CZ ARG A 46 7.145 -11.713 -13.917 1.00 24.44 C ATOM 797 NH1 ARG A 46 8.284 -11.309 -14.461 1.00 44.42 N ATOM 798 NH2 ARG A 46 7.169 -12.503 -12.851 1.00 13.14 N ATOM 0 H ARG A 46 3.349 -12.902 -18.878 1.00 53.32 H new ATOM 0 HA ARG A 46 5.538 -11.340 -19.507 1.00 33.02 H new ATOM 0 HB2 ARG A 46 4.228 -11.419 -17.352 1.00 43.32 H new ATOM 0 HB3 ARG A 46 5.056 -12.908 -16.945 1.00 43.32 H new ATOM 0 HG2 ARG A 46 7.137 -11.832 -16.666 1.00 40.24 H new ATOM 0 HG3 ARG A 46 6.654 -10.432 -17.603 1.00 40.24 H new ATOM 0 HD2 ARG A 46 6.481 -9.572 -15.458 1.00 13.24 H new ATOM 0 HD3 ARG A 46 4.837 -10.126 -15.707 1.00 13.24 H new ATOM 0 HE ARG A 46 5.126 -11.659 -13.992 1.00 10.12 H new ATOM 0 HH11 ARG A 46 8.271 -10.702 -15.280 1.00 44.42 H new ATOM 0 HH12 ARG A 46 9.174 -11.605 -14.060 1.00 44.42 H new ATOM 0 HH21 ARG A 46 6.295 -12.817 -12.429 1.00 13.14 H new ATOM 0 HH22 ARG A 46 8.061 -12.797 -12.454 1.00 13.14 H new ATOM 812 N ARG A 47 6.296 -14.501 -19.097 1.00 54.33 N ATOM 813 CA ARG A 47 7.353 -15.491 -19.264 1.00 1.12 C ATOM 814 C ARG A 47 7.968 -15.401 -20.656 1.00 63.34 C ATOM 815 O ARG A 47 9.165 -15.627 -20.834 1.00 2.54 O ATOM 816 CB ARG A 47 6.804 -16.900 -19.027 1.00 43.24 C ATOM 817 CG ARG A 47 6.877 -17.345 -17.576 1.00 34.33 C ATOM 818 CD ARG A 47 8.211 -18.003 -17.262 1.00 33.24 C ATOM 819 NE ARG A 47 8.273 -18.486 -15.885 1.00 4.12 N ATOM 820 CZ ARG A 47 9.329 -19.106 -15.370 1.00 60.23 C ATOM 821 NH1 ARG A 47 10.406 -19.318 -16.115 1.00 31.23 N ATOM 822 NH2 ARG A 47 9.309 -19.516 -14.107 1.00 62.55 N ATOM 0 H ARG A 47 5.372 -14.896 -18.923 1.00 54.33 H new ATOM 0 HA ARG A 47 8.130 -15.283 -18.529 1.00 1.12 H new ATOM 0 HB2 ARG A 47 5.766 -16.937 -19.358 1.00 43.24 H new ATOM 0 HB3 ARG A 47 7.360 -17.606 -19.643 1.00 43.24 H new ATOM 0 HG2 ARG A 47 6.732 -16.485 -16.923 1.00 34.33 H new ATOM 0 HG3 ARG A 47 6.067 -18.044 -17.367 1.00 34.33 H new ATOM 0 HD2 ARG A 47 8.374 -18.836 -17.946 1.00 33.24 H new ATOM 0 HD3 ARG A 47 9.016 -17.289 -17.432 1.00 33.24 H new ATOM 0 HE ARG A 47 7.461 -18.339 -15.286 1.00 4.12 H new ATOM 0 HH11 ARG A 47 10.425 -19.005 -17.086 1.00 31.23 H new ATOM 0 HH12 ARG A 47 11.216 -19.794 -15.717 1.00 31.23 H new ATOM 0 HH21 ARG A 47 8.482 -19.355 -13.532 1.00 62.55 H new ATOM 0 HH22 ARG A 47 10.120 -19.992 -13.712 1.00 62.55 H new ATOM 836 N MET A 48 7.140 -15.069 -21.643 1.00 25.31 N ATOM 837 CA MET A 48 7.604 -14.949 -23.020 1.00 42.35 C ATOM 838 C MET A 48 7.793 -13.484 -23.404 1.00 4.20 C ATOM 839 O MET A 48 7.720 -13.126 -24.580 1.00 24.10 O ATOM 840 CB MET A 48 6.611 -15.614 -23.975 1.00 42.55 C ATOM 841 CG MET A 48 6.826 -17.110 -24.129 1.00 73.23 C ATOM 842 SD MET A 48 8.268 -17.505 -25.138 1.00 11.45 S ATOM 843 CE MET A 48 9.344 -18.247 -23.914 1.00 3.44 C ATOM 0 H MET A 48 6.146 -14.879 -21.514 1.00 25.31 H new ATOM 0 HA MET A 48 8.567 -15.454 -23.098 1.00 42.35 H new ATOM 0 HB2 MET A 48 5.598 -15.436 -23.615 1.00 42.55 H new ATOM 0 HB3 MET A 48 6.689 -15.141 -24.954 1.00 42.55 H new ATOM 0 HG2 MET A 48 6.943 -17.560 -23.143 1.00 73.23 H new ATOM 0 HG3 MET A 48 5.939 -17.556 -24.579 1.00 73.23 H new ATOM 0 HE1 MET A 48 10.143 -18.794 -24.415 1.00 3.44 H new ATOM 0 HE2 MET A 48 9.776 -17.466 -23.288 1.00 3.44 H new ATOM 0 HE3 MET A 48 8.769 -18.933 -23.292 1.00 3.44 H new ATOM 853 N LEU A 49 8.035 -12.642 -22.405 1.00 73.52 N ATOM 854 CA LEU A 49 8.234 -11.216 -22.638 1.00 44.24 C ATOM 855 C LEU A 49 9.515 -10.967 -23.429 1.00 72.41 C ATOM 856 O LEU A 49 9.651 -9.947 -24.107 1.00 1.05 O ATOM 857 CB LEU A 49 8.289 -10.464 -21.307 1.00 22.53 C ATOM 858 CG LEU A 49 8.542 -8.959 -21.397 1.00 1.31 C ATOM 859 CD1 LEU A 49 7.374 -8.261 -22.077 1.00 63.20 C ATOM 860 CD2 LEU A 49 8.780 -8.375 -20.012 1.00 3.32 C ATOM 0 H LEU A 49 8.098 -12.922 -21.426 1.00 73.52 H new ATOM 0 HA LEU A 49 7.391 -10.847 -23.222 1.00 44.24 H new ATOM 0 HB2 LEU A 49 7.346 -10.623 -20.783 1.00 22.53 H new ATOM 0 HB3 LEU A 49 9.073 -10.908 -20.694 1.00 22.53 H new ATOM 0 HG LEU A 49 9.437 -8.796 -21.998 1.00 1.31 H new ATOM 0 HD11 LEU A 49 7.572 -7.191 -22.132 1.00 63.20 H new ATOM 0 HD12 LEU A 49 7.248 -8.659 -23.084 1.00 63.20 H new ATOM 0 HD13 LEU A 49 6.463 -8.433 -21.503 1.00 63.20 H new ATOM 0 HD21 LEU A 49 8.958 -7.303 -20.095 1.00 3.32 H new ATOM 0 HD22 LEU A 49 7.904 -8.550 -19.388 1.00 3.32 H new ATOM 0 HD23 LEU A 49 9.649 -8.853 -19.560 1.00 3.32 H new ATOM 872 N LYS A 50 10.451 -11.905 -23.340 1.00 71.22 N ATOM 873 CA LYS A 50 11.720 -11.791 -24.049 1.00 20.42 C ATOM 874 C LYS A 50 12.178 -13.151 -24.567 1.00 0.11 C ATOM 875 O LYS A 50 11.704 -14.191 -24.111 1.00 75.13 O ATOM 876 CB LYS A 50 12.790 -11.197 -23.130 1.00 50.04 C ATOM 877 CG LYS A 50 12.310 -9.991 -22.340 1.00 2.23 C ATOM 878 CD LYS A 50 11.722 -10.402 -21.000 1.00 53.54 C ATOM 879 CE LYS A 50 12.784 -10.439 -19.912 1.00 53.04 C ATOM 880 NZ LYS A 50 13.436 -11.775 -19.819 1.00 44.22 N ATOM 0 H LYS A 50 10.355 -12.754 -22.783 1.00 71.22 H new ATOM 0 HA LYS A 50 11.573 -11.128 -24.901 1.00 20.42 H new ATOM 0 HB2 LYS A 50 13.128 -11.966 -22.435 1.00 50.04 H new ATOM 0 HB3 LYS A 50 13.653 -10.908 -23.730 1.00 50.04 H new ATOM 0 HG2 LYS A 50 13.142 -9.306 -22.179 1.00 2.23 H new ATOM 0 HG3 LYS A 50 11.560 -9.451 -22.918 1.00 2.23 H new ATOM 0 HD2 LYS A 50 10.935 -9.703 -20.717 1.00 53.54 H new ATOM 0 HD3 LYS A 50 11.259 -11.384 -21.091 1.00 53.54 H new ATOM 0 HE2 LYS A 50 13.539 -9.680 -20.115 1.00 53.04 H new ATOM 0 HE3 LYS A 50 12.330 -10.189 -18.953 1.00 53.04 H new ATOM 0 HZ1 LYS A 50 13.859 -11.890 -18.876 1.00 44.22 H new ATOM 0 HZ2 LYS A 50 12.726 -12.519 -19.973 1.00 44.22 H new ATOM 0 HZ3 LYS A 50 14.179 -11.850 -20.543 1.00 44.22 H new ATOM 894 N ARG A 51 13.105 -13.134 -25.520 1.00 52.45 N ATOM 895 CA ARG A 51 13.627 -14.366 -26.099 1.00 45.01 C ATOM 896 C ARG A 51 14.147 -15.300 -25.011 1.00 12.44 C ATOM 897 O ARG A 51 14.898 -14.885 -24.128 1.00 65.33 O ATOM 898 CB ARG A 51 14.746 -14.053 -27.094 1.00 2.51 C ATOM 899 CG ARG A 51 14.246 -13.754 -28.498 1.00 21.32 C ATOM 900 CD ARG A 51 13.941 -15.032 -29.263 1.00 32.51 C ATOM 901 NE ARG A 51 12.845 -14.854 -30.212 1.00 63.33 N ATOM 902 CZ ARG A 51 12.937 -14.113 -31.311 1.00 34.13 C ATOM 903 NH1 ARG A 51 14.069 -13.486 -31.599 1.00 73.31 N ATOM 904 NH2 ARG A 51 11.896 -14.001 -32.125 1.00 52.44 N ATOM 0 H ARG A 51 13.509 -12.281 -25.907 1.00 52.45 H new ATOM 0 HA ARG A 51 12.812 -14.865 -26.624 1.00 45.01 H new ATOM 0 HB2 ARG A 51 15.315 -13.198 -26.730 1.00 2.51 H new ATOM 0 HB3 ARG A 51 15.432 -14.899 -27.134 1.00 2.51 H new ATOM 0 HG2 ARG A 51 13.348 -13.138 -28.443 1.00 21.32 H new ATOM 0 HG3 ARG A 51 14.996 -13.176 -29.037 1.00 21.32 H new ATOM 0 HD2 ARG A 51 14.834 -15.356 -29.797 1.00 32.51 H new ATOM 0 HD3 ARG A 51 13.686 -15.824 -28.559 1.00 32.51 H new ATOM 0 HE ARG A 51 11.960 -15.324 -30.020 1.00 63.33 H new ATOM 0 HH11 ARG A 51 14.872 -13.572 -30.976 1.00 73.31 H new ATOM 0 HH12 ARG A 51 14.137 -12.918 -32.443 1.00 73.31 H new ATOM 0 HH21 ARG A 51 11.024 -14.484 -31.907 1.00 52.44 H new ATOM 0 HH22 ARG A 51 11.967 -13.432 -32.969 1.00 52.44 H new ATOM 918 N ALA A 52 13.742 -16.564 -25.079 1.00 75.22 N ATOM 919 CA ALA A 52 14.167 -17.558 -24.101 1.00 71.11 C ATOM 920 C ALA A 52 14.517 -18.879 -24.777 1.00 51.30 C ATOM 921 O ALA A 52 13.636 -19.595 -25.255 1.00 71.12 O ATOM 922 CB ALA A 52 13.082 -17.768 -23.055 1.00 54.04 C ATOM 0 H ALA A 52 13.119 -16.924 -25.802 1.00 75.22 H new ATOM 0 HA ALA A 52 15.064 -17.185 -23.607 1.00 71.11 H new ATOM 0 HB1 ALA A 52 13.413 -18.513 -22.331 1.00 54.04 H new ATOM 0 HB2 ALA A 52 12.884 -16.827 -22.542 1.00 54.04 H new ATOM 0 HB3 ALA A 52 12.170 -18.115 -23.541 1.00 54.04 H new ATOM 928 N LEU A 53 15.806 -19.196 -24.814 1.00 32.54 N ATOM 929 CA LEU A 53 16.272 -20.432 -25.433 1.00 10.24 C ATOM 930 C LEU A 53 16.910 -21.353 -24.397 1.00 23.11 C ATOM 931 O LEU A 53 17.794 -20.942 -23.645 1.00 52.22 O ATOM 932 CB LEU A 53 17.277 -20.122 -26.544 1.00 5.32 C ATOM 933 CG LEU A 53 18.152 -21.290 -27.003 1.00 1.21 C ATOM 934 CD1 LEU A 53 17.289 -22.445 -27.487 1.00 71.05 C ATOM 935 CD2 LEU A 53 19.109 -20.841 -28.097 1.00 43.52 C ATOM 0 H LEU A 53 16.547 -18.615 -24.423 1.00 32.54 H new ATOM 0 HA LEU A 53 15.410 -20.941 -25.863 1.00 10.24 H new ATOM 0 HB2 LEU A 53 16.729 -19.744 -27.407 1.00 5.32 H new ATOM 0 HB3 LEU A 53 17.929 -19.318 -26.203 1.00 5.32 H new ATOM 0 HG LEU A 53 18.740 -21.635 -26.153 1.00 1.21 H new ATOM 0 HD11 LEU A 53 17.928 -23.267 -27.810 1.00 71.05 H new ATOM 0 HD12 LEU A 53 16.645 -22.783 -26.675 1.00 71.05 H new ATOM 0 HD13 LEU A 53 16.674 -22.114 -28.324 1.00 71.05 H new ATOM 0 HD21 LEU A 53 19.724 -21.684 -28.411 1.00 43.52 H new ATOM 0 HD22 LEU A 53 18.539 -20.470 -28.949 1.00 43.52 H new ATOM 0 HD23 LEU A 53 19.751 -20.047 -27.716 1.00 43.52 H new ATOM 947 N LYS A 54 16.457 -22.601 -24.364 1.00 73.33 N ATOM 948 CA LYS A 54 16.985 -23.583 -23.424 1.00 14.23 C ATOM 949 C LYS A 54 17.554 -24.791 -24.161 1.00 25.15 C ATOM 950 O LYS A 54 16.839 -25.483 -24.884 1.00 13.21 O ATOM 951 CB LYS A 54 15.887 -24.034 -22.456 1.00 62.33 C ATOM 952 CG LYS A 54 14.663 -24.604 -23.149 1.00 52.14 C ATOM 953 CD LYS A 54 13.495 -24.749 -22.187 1.00 62.03 C ATOM 954 CE LYS A 54 12.222 -25.156 -22.914 1.00 42.11 C ATOM 955 NZ LYS A 54 11.039 -25.144 -22.009 1.00 21.43 N ATOM 0 H LYS A 54 15.724 -22.957 -24.978 1.00 73.33 H new ATOM 0 HA LYS A 54 17.789 -23.112 -22.859 1.00 14.23 H new ATOM 0 HB2 LYS A 54 16.296 -24.786 -21.781 1.00 62.33 H new ATOM 0 HB3 LYS A 54 15.585 -23.186 -21.842 1.00 62.33 H new ATOM 0 HG2 LYS A 54 14.376 -23.954 -23.976 1.00 52.14 H new ATOM 0 HG3 LYS A 54 14.906 -25.576 -23.577 1.00 52.14 H new ATOM 0 HD2 LYS A 54 13.737 -25.494 -21.429 1.00 62.03 H new ATOM 0 HD3 LYS A 54 13.332 -23.806 -21.666 1.00 62.03 H new ATOM 0 HE2 LYS A 54 12.048 -24.477 -23.749 1.00 42.11 H new ATOM 0 HE3 LYS A 54 12.347 -26.154 -23.335 1.00 42.11 H new ATOM 0 HZ1 LYS A 54 10.192 -25.427 -22.542 1.00 21.43 H new ATOM 0 HZ2 LYS A 54 11.194 -25.810 -21.226 1.00 21.43 H new ATOM 0 HZ3 LYS A 54 10.904 -24.186 -21.627 1.00 21.43 H new ATOM 969 N ASN A 55 18.847 -25.038 -23.971 1.00 53.13 N ATOM 970 CA ASN A 55 19.512 -26.164 -24.617 1.00 51.35 C ATOM 971 C ASN A 55 19.438 -27.413 -23.745 1.00 30.44 C ATOM 972 O ASN A 55 19.500 -28.537 -24.244 1.00 25.34 O ATOM 973 CB ASN A 55 20.974 -25.819 -24.911 1.00 52.05 C ATOM 974 CG ASN A 55 21.716 -25.348 -23.675 1.00 60.30 C ATOM 975 OD1 ASN A 55 21.363 -24.333 -23.075 1.00 44.20 O ATOM 976 ND2 ASN A 55 22.751 -26.086 -23.290 1.00 41.14 N ATOM 0 H ASN A 55 19.454 -24.474 -23.376 1.00 53.13 H new ATOM 0 HA ASN A 55 18.997 -26.368 -25.556 1.00 51.35 H new ATOM 0 HB2 ASN A 55 21.476 -26.695 -25.321 1.00 52.05 H new ATOM 0 HB3 ASN A 55 21.015 -25.042 -25.674 1.00 52.05 H new ATOM 0 HD21 ASN A 55 23.289 -25.819 -22.466 1.00 41.14 H new ATOM 0 HD22 ASN A 55 23.007 -26.920 -23.818 1.00 41.14 H new ATOM 983 N LYS A 56 19.305 -27.209 -22.439 1.00 71.03 N ATOM 984 CA LYS A 56 19.221 -28.318 -21.496 1.00 51.22 C ATOM 985 C LYS A 56 17.889 -29.049 -21.634 1.00 22.53 C ATOM 986 O LYS A 56 16.840 -28.525 -21.265 1.00 43.43 O ATOM 987 CB LYS A 56 19.387 -27.809 -20.062 1.00 65.13 C ATOM 988 CG LYS A 56 20.758 -28.092 -19.472 1.00 25.00 C ATOM 989 CD LYS A 56 21.719 -26.941 -19.717 1.00 4.42 C ATOM 990 CE LYS A 56 21.466 -25.789 -18.756 1.00 55.14 C ATOM 991 NZ LYS A 56 22.309 -25.889 -17.533 1.00 14.04 N ATOM 0 H LYS A 56 19.253 -26.285 -22.009 1.00 71.03 H new ATOM 0 HA LYS A 56 20.026 -29.017 -21.723 1.00 51.22 H new ATOM 0 HB2 LYS A 56 19.207 -26.734 -20.044 1.00 65.13 H new ATOM 0 HB3 LYS A 56 18.627 -28.270 -19.431 1.00 65.13 H new ATOM 0 HG2 LYS A 56 20.665 -28.267 -18.400 1.00 25.00 H new ATOM 0 HG3 LYS A 56 21.162 -29.004 -19.910 1.00 25.00 H new ATOM 0 HD2 LYS A 56 22.745 -27.292 -19.604 1.00 4.42 H new ATOM 0 HD3 LYS A 56 21.613 -26.590 -20.743 1.00 4.42 H new ATOM 0 HE2 LYS A 56 21.669 -24.844 -19.261 1.00 55.14 H new ATOM 0 HE3 LYS A 56 20.414 -25.778 -18.471 1.00 55.14 H new ATOM 0 HZ1 LYS A 56 22.106 -25.085 -16.905 1.00 14.04 H new ATOM 0 HZ2 LYS A 56 22.097 -26.778 -17.037 1.00 14.04 H new ATOM 0 HZ3 LYS A 56 23.314 -25.873 -17.802 1.00 14.04 H new ATOM 1005 N ASN A 57 17.941 -30.266 -22.167 1.00 63.03 N ATOM 1006 CA ASN A 57 16.739 -31.070 -22.354 1.00 1.12 C ATOM 1007 C ASN A 57 16.568 -32.066 -21.210 1.00 12.11 C ATOM 1008 O ASN A 57 15.448 -32.362 -20.791 1.00 70.54 O ATOM 1009 CB ASN A 57 16.800 -31.816 -23.689 1.00 3.12 C ATOM 1010 CG ASN A 57 16.805 -30.873 -24.877 1.00 21.24 C ATOM 1011 OD1 ASN A 57 16.474 -29.694 -24.750 1.00 22.33 O ATOM 1012 ND2 ASN A 57 17.182 -31.392 -26.040 1.00 62.34 N ATOM 0 H ASN A 57 18.802 -30.716 -22.477 1.00 63.03 H new ATOM 0 HA ASN A 57 15.881 -30.398 -22.360 1.00 1.12 H new ATOM 0 HB2 ASN A 57 17.697 -32.435 -23.716 1.00 3.12 H new ATOM 0 HB3 ASN A 57 15.946 -32.489 -23.766 1.00 3.12 H new ATOM 0 HD21 ASN A 57 17.206 -30.808 -26.876 1.00 62.34 H new ATOM 0 HD22 ASN A 57 17.448 -32.375 -26.098 1.00 62.34 H new ATOM 1019 N LYS A 58 17.686 -32.579 -20.707 1.00 71.24 N ATOM 1020 CA LYS A 58 17.662 -33.540 -19.611 1.00 63.21 C ATOM 1021 C LYS A 58 16.864 -32.998 -18.430 1.00 55.44 C ATOM 1022 O LYS A 58 16.249 -33.759 -17.683 1.00 23.44 O ATOM 1023 CB LYS A 58 19.088 -33.872 -19.167 1.00 33.15 C ATOM 1024 CG LYS A 58 19.722 -35.007 -19.953 1.00 72.34 C ATOM 1025 CD LYS A 58 20.309 -34.514 -21.266 1.00 32.05 C ATOM 1026 CE LYS A 58 20.592 -35.667 -22.217 1.00 24.15 C ATOM 1027 NZ LYS A 58 19.338 -36.293 -22.720 1.00 25.30 N ATOM 0 H LYS A 58 18.621 -32.345 -21.041 1.00 71.24 H new ATOM 0 HA LYS A 58 17.177 -34.449 -19.968 1.00 63.21 H new ATOM 0 HB2 LYS A 58 19.708 -32.981 -19.268 1.00 33.15 H new ATOM 0 HB3 LYS A 58 19.078 -34.135 -18.109 1.00 33.15 H new ATOM 0 HG2 LYS A 58 20.505 -35.472 -19.355 1.00 72.34 H new ATOM 0 HG3 LYS A 58 18.975 -35.775 -20.153 1.00 72.34 H new ATOM 0 HD2 LYS A 58 19.617 -33.815 -21.736 1.00 32.05 H new ATOM 0 HD3 LYS A 58 21.231 -33.967 -21.071 1.00 32.05 H new ATOM 0 HE2 LYS A 58 21.181 -35.306 -23.060 1.00 24.15 H new ATOM 0 HE3 LYS A 58 21.194 -36.419 -21.707 1.00 24.15 H new ATOM 0 HZ1 LYS A 58 19.543 -36.837 -23.582 1.00 25.30 H new ATOM 0 HZ2 LYS A 58 18.952 -36.929 -21.993 1.00 25.30 H new ATOM 0 HZ3 LYS A 58 18.642 -35.551 -22.936 1.00 25.30 H new ATOM 1041 N ALA A 59 16.876 -31.679 -18.269 1.00 14.13 N ATOM 1042 CA ALA A 59 16.149 -31.035 -17.181 1.00 33.03 C ATOM 1043 C ALA A 59 14.643 -31.096 -17.415 1.00 23.54 C ATOM 1044 O ALA A 59 13.876 -31.399 -16.502 1.00 3.20 O ATOM 1045 CB ALA A 59 16.603 -29.592 -17.025 1.00 32.33 C ATOM 0 H ALA A 59 17.381 -31.035 -18.878 1.00 14.13 H new ATOM 0 HA ALA A 59 16.369 -31.575 -16.260 1.00 33.03 H new ATOM 0 HB1 ALA A 59 16.052 -29.123 -16.209 1.00 32.33 H new ATOM 0 HB2 ALA A 59 17.670 -29.568 -16.803 1.00 32.33 H new ATOM 0 HB3 ALA A 59 16.413 -29.049 -17.951 1.00 32.33 H new ATOM 1051 N GLU A 60 14.228 -30.806 -18.644 1.00 53.13 N ATOM 1052 CA GLU A 60 12.813 -30.826 -18.996 1.00 53.42 C ATOM 1053 C GLU A 60 12.225 -32.222 -18.808 1.00 30.21 C ATOM 1054 O GLU A 60 11.092 -32.373 -18.352 1.00 60.55 O ATOM 1055 CB GLU A 60 12.617 -30.369 -20.443 1.00 22.12 C ATOM 1056 CG GLU A 60 12.442 -28.866 -20.588 1.00 60.40 C ATOM 1057 CD GLU A 60 11.175 -28.360 -19.928 1.00 71.55 C ATOM 1058 OE1 GLU A 60 10.079 -28.627 -20.464 1.00 62.43 O ATOM 1059 OE2 GLU A 60 11.279 -27.697 -18.876 1.00 1.32 O ATOM 0 H GLU A 60 14.851 -30.555 -19.412 1.00 53.13 H new ATOM 0 HA GLU A 60 12.291 -30.138 -18.332 1.00 53.42 H new ATOM 0 HB2 GLU A 60 13.476 -30.685 -21.035 1.00 22.12 H new ATOM 0 HB3 GLU A 60 11.742 -30.870 -20.858 1.00 22.12 H new ATOM 0 HG2 GLU A 60 13.302 -28.360 -20.150 1.00 60.40 H new ATOM 0 HG3 GLU A 60 12.424 -28.607 -21.647 1.00 60.40 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.095 12.888 -4.656 1.00 23.20 ZN