USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0693 (180deg=-0.559) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.61 (180deg=1.19) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0691) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -152:sc=-0.00849 (180deg=-0.347) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -53:sc= 0.964 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -3.38 K(o=-3.4,f=-4.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 58 HIS : no HD1:sc= -0.705 X(o=-0.7,f=-0.44) USER MOD Single : A 59 THR OG1 : rot 76:sc= -0.218 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.43 K(o=-4.4,f=-5.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 70 SER OG : rot -105:sc= 1.21 USER MOD Single : A 72 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.038) USER MOD Single : A 84 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.76) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -113:sc= 1.13 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.289 -1.714 -3.825 1.00 11.41 N ATOM 2 CA MET A 1 0.679 -0.972 -2.631 1.00 63.32 C ATOM 3 C MET A 1 1.353 0.344 -3.005 1.00 24.00 C ATOM 4 O MET A 1 1.549 0.639 -4.184 1.00 13.25 O ATOM 5 CB MET A 1 1.621 -1.814 -1.767 1.00 53.34 C ATOM 6 CG MET A 1 0.990 -3.098 -1.255 1.00 30.31 C ATOM 7 SD MET A 1 1.876 -4.572 -1.798 1.00 11.11 S ATOM 8 CE MET A 1 1.062 -4.900 -3.360 1.00 5.43 C ATOM 0 H1 MET A 1 -0.271 -2.546 -3.549 1.00 11.41 H new ATOM 0 H2 MET A 1 -0.281 -1.102 -4.443 1.00 11.41 H new ATOM 0 H3 MET A 1 1.141 -2.024 -4.335 1.00 11.41 H new ATOM 0 HA MET A 1 -0.223 -0.748 -2.061 1.00 63.32 H new ATOM 0 HB2 MET A 1 2.509 -2.062 -2.348 1.00 53.34 H new ATOM 0 HB3 MET A 1 1.952 -1.217 -0.917 1.00 53.34 H new ATOM 0 HG2 MET A 1 0.963 -3.076 -0.166 1.00 30.31 H new ATOM 0 HG3 MET A 1 -0.043 -3.153 -1.598 1.00 30.31 H new ATOM 0 HE1 MET A 1 1.302 -5.911 -3.690 1.00 5.43 H new ATOM 0 HE2 MET A 1 -0.017 -4.805 -3.235 1.00 5.43 H new ATOM 0 HE3 MET A 1 1.405 -4.184 -4.106 1.00 5.43 H new ATOM 18 N ALA A 2 1.706 1.131 -1.994 1.00 25.12 N ATOM 19 CA ALA A 2 2.360 2.414 -2.217 1.00 1.51 C ATOM 20 C ALA A 2 3.584 2.259 -3.113 1.00 61.21 C ATOM 21 O ALA A 2 4.029 3.216 -3.747 1.00 55.34 O ATOM 22 CB ALA A 2 2.753 3.045 -0.889 1.00 33.31 C ATOM 0 H ALA A 2 1.550 0.902 -1.012 1.00 25.12 H new ATOM 0 HA ALA A 2 1.652 3.070 -2.723 1.00 1.51 H new ATOM 0 HB1 ALA A 2 3.240 4.003 -1.071 1.00 33.31 H new ATOM 0 HB2 ALA A 2 1.861 3.201 -0.282 1.00 33.31 H new ATOM 0 HB3 ALA A 2 3.439 2.383 -0.361 1.00 33.31 H new ATOM 28 N THR A 3 4.127 1.046 -3.161 1.00 34.00 N ATOM 29 CA THR A 3 5.300 0.765 -3.978 1.00 4.41 C ATOM 30 C THR A 3 5.101 1.247 -5.410 1.00 61.35 C ATOM 31 O THR A 3 5.811 2.135 -5.883 1.00 64.22 O ATOM 32 CB THR A 3 5.626 -0.740 -3.995 1.00 4.13 C ATOM 33 OG1 THR A 3 4.420 -1.504 -3.881 1.00 5.40 O ATOM 34 CG2 THR A 3 6.571 -1.102 -2.858 1.00 51.15 C ATOM 0 H THR A 3 3.772 0.242 -2.643 1.00 34.00 H new ATOM 0 HA THR A 3 6.134 1.304 -3.529 1.00 4.41 H new ATOM 0 HB THR A 3 6.115 -0.973 -4.941 1.00 4.13 H new ATOM 0 HG1 THR A 3 4.636 -2.460 -3.894 1.00 5.40 H new ATOM 0 HG21 THR A 3 6.787 -2.170 -2.890 1.00 51.15 H new ATOM 0 HG22 THR A 3 7.499 -0.541 -2.964 1.00 51.15 H new ATOM 0 HG23 THR A 3 6.104 -0.855 -1.904 1.00 51.15 H new ATOM 42 N THR A 4 4.129 0.656 -6.099 1.00 22.33 N ATOM 43 CA THR A 4 3.837 1.024 -7.478 1.00 74.11 C ATOM 44 C THR A 4 2.808 2.147 -7.541 1.00 11.10 C ATOM 45 O THR A 4 2.702 2.849 -8.547 1.00 11.43 O ATOM 46 CB THR A 4 3.314 -0.181 -8.283 1.00 32.25 C ATOM 47 OG1 THR A 4 3.138 0.185 -9.656 1.00 11.45 O ATOM 48 CG2 THR A 4 1.995 -0.681 -7.713 1.00 31.02 C ATOM 0 H THR A 4 3.531 -0.080 -5.723 1.00 22.33 H new ATOM 0 HA THR A 4 4.773 1.367 -7.918 1.00 74.11 H new ATOM 0 HB THR A 4 4.049 -0.983 -8.213 1.00 32.25 H new ATOM 0 HG1 THR A 4 2.807 -0.587 -10.161 1.00 11.45 H new ATOM 0 HG21 THR A 4 1.645 -1.532 -8.298 1.00 31.02 H new ATOM 0 HG22 THR A 4 2.139 -0.987 -6.677 1.00 31.02 H new ATOM 0 HG23 THR A 4 1.254 0.117 -7.756 1.00 31.02 H new ATOM 56 N TYR A 5 2.052 2.312 -6.461 1.00 24.00 N ATOM 57 CA TYR A 5 1.030 3.350 -6.394 1.00 63.33 C ATOM 58 C TYR A 5 1.660 4.720 -6.163 1.00 55.24 C ATOM 59 O TYR A 5 1.406 5.665 -6.910 1.00 64.44 O ATOM 60 CB TYR A 5 0.031 3.040 -5.278 1.00 44.10 C ATOM 61 CG TYR A 5 -0.865 1.860 -5.578 1.00 21.24 C ATOM 62 CD1 TYR A 5 -1.315 1.615 -6.869 1.00 61.42 C ATOM 63 CD2 TYR A 5 -1.262 0.990 -4.569 1.00 55.55 C ATOM 64 CE1 TYR A 5 -2.135 0.538 -7.148 1.00 25.13 C ATOM 65 CE2 TYR A 5 -2.081 -0.089 -4.839 1.00 24.50 C ATOM 66 CZ TYR A 5 -2.514 -0.311 -6.129 1.00 71.44 C ATOM 67 OH TYR A 5 -3.330 -1.385 -6.402 1.00 33.33 O ATOM 0 H TYR A 5 2.128 1.740 -5.620 1.00 24.00 H new ATOM 0 HA TYR A 5 0.504 3.369 -7.348 1.00 63.33 H new ATOM 0 HB2 TYR A 5 0.578 2.845 -4.356 1.00 44.10 H new ATOM 0 HB3 TYR A 5 -0.588 3.920 -5.101 1.00 44.10 H new ATOM 0 HD1 TYR A 5 -1.019 2.278 -7.669 1.00 61.42 H new ATOM 0 HD2 TYR A 5 -0.924 1.161 -3.557 1.00 55.55 H new ATOM 0 HE1 TYR A 5 -2.477 0.362 -8.157 1.00 25.13 H new ATOM 0 HE2 TYR A 5 -2.381 -0.755 -4.044 1.00 24.50 H new ATOM 0 HH TYR A 5 -3.502 -1.883 -5.576 1.00 33.33 H new ATOM 77 N GLU A 6 2.481 4.819 -5.123 1.00 44.12 N ATOM 78 CA GLU A 6 3.147 6.074 -4.793 1.00 62.32 C ATOM 79 C GLU A 6 4.185 6.434 -5.853 1.00 12.14 C ATOM 80 O GLU A 6 4.633 7.577 -5.933 1.00 11.23 O ATOM 81 CB GLU A 6 3.816 5.976 -3.421 1.00 25.13 C ATOM 82 CG GLU A 6 3.957 7.314 -2.716 1.00 4.45 C ATOM 83 CD GLU A 6 5.140 7.353 -1.767 1.00 60.42 C ATOM 84 OE1 GLU A 6 6.224 7.807 -2.190 1.00 11.23 O ATOM 85 OE2 GLU A 6 4.982 6.928 -0.604 1.00 2.14 O ATOM 0 H GLU A 6 2.701 4.046 -4.495 1.00 44.12 H new ATOM 0 HA GLU A 6 2.393 6.860 -4.766 1.00 62.32 H new ATOM 0 HB2 GLU A 6 3.236 5.302 -2.791 1.00 25.13 H new ATOM 0 HB3 GLU A 6 4.804 5.531 -3.539 1.00 25.13 H new ATOM 0 HG2 GLU A 6 4.067 8.103 -3.460 1.00 4.45 H new ATOM 0 HG3 GLU A 6 3.043 7.526 -2.160 1.00 4.45 H new ATOM 92 N GLU A 7 4.561 5.450 -6.663 1.00 25.43 N ATOM 93 CA GLU A 7 5.547 5.663 -7.716 1.00 21.10 C ATOM 94 C GLU A 7 4.895 6.267 -8.957 1.00 24.04 C ATOM 95 O GLU A 7 5.438 7.185 -9.572 1.00 0.11 O ATOM 96 CB GLU A 7 6.233 4.344 -8.078 1.00 21.12 C ATOM 97 CG GLU A 7 7.450 4.516 -8.972 1.00 32.25 C ATOM 98 CD GLU A 7 8.604 3.620 -8.565 1.00 34.20 C ATOM 99 OE1 GLU A 7 8.365 2.416 -8.331 1.00 44.24 O ATOM 100 OE2 GLU A 7 9.744 4.121 -8.480 1.00 52.51 O ATOM 0 H GLU A 7 4.198 4.498 -6.611 1.00 25.43 H new ATOM 0 HA GLU A 7 6.295 6.362 -7.342 1.00 21.10 H new ATOM 0 HB2 GLU A 7 6.535 3.838 -7.161 1.00 21.12 H new ATOM 0 HB3 GLU A 7 5.514 3.696 -8.578 1.00 21.12 H new ATOM 0 HG2 GLU A 7 7.172 4.299 -10.003 1.00 32.25 H new ATOM 0 HG3 GLU A 7 7.774 5.556 -8.942 1.00 32.25 H new ATOM 107 N PHE A 8 3.728 5.744 -9.319 1.00 5.44 N ATOM 108 CA PHE A 8 3.003 6.230 -10.486 1.00 53.14 C ATOM 109 C PHE A 8 2.218 7.495 -10.152 1.00 10.33 C ATOM 110 O PHE A 8 2.150 8.426 -10.953 1.00 55.34 O ATOM 111 CB PHE A 8 2.053 5.150 -11.008 1.00 55.33 C ATOM 112 CG PHE A 8 0.631 5.334 -10.559 1.00 2.31 C ATOM 113 CD1 PHE A 8 0.084 4.507 -9.592 1.00 32.22 C ATOM 114 CD2 PHE A 8 -0.158 6.334 -11.104 1.00 44.41 C ATOM 115 CE1 PHE A 8 -1.224 4.674 -9.176 1.00 23.33 C ATOM 116 CE2 PHE A 8 -1.466 6.506 -10.692 1.00 5.33 C ATOM 117 CZ PHE A 8 -2.000 5.674 -9.727 1.00 44.23 C ATOM 0 H PHE A 8 3.265 4.984 -8.821 1.00 5.44 H new ATOM 0 HA PHE A 8 3.731 6.470 -11.261 1.00 53.14 H new ATOM 0 HB2 PHE A 8 2.084 5.146 -12.098 1.00 55.33 H new ATOM 0 HB3 PHE A 8 2.407 4.174 -10.675 1.00 55.33 H new ATOM 0 HD1 PHE A 8 0.686 3.723 -9.158 1.00 32.22 H new ATOM 0 HD2 PHE A 8 0.254 6.987 -11.860 1.00 44.41 H new ATOM 0 HE1 PHE A 8 -1.638 4.023 -8.421 1.00 23.33 H new ATOM 0 HE2 PHE A 8 -2.070 7.290 -11.124 1.00 5.33 H new ATOM 0 HZ PHE A 8 -3.022 5.806 -9.404 1.00 44.23 H new ATOM 127 N ALA A 9 1.627 7.520 -8.962 1.00 0.24 N ATOM 128 CA ALA A 9 0.848 8.670 -8.519 1.00 44.43 C ATOM 129 C ALA A 9 1.721 9.916 -8.413 1.00 3.12 C ATOM 130 O ALA A 9 1.215 11.034 -8.325 1.00 3.44 O ATOM 131 CB ALA A 9 0.182 8.375 -7.184 1.00 21.42 C ATOM 0 H ALA A 9 1.673 6.757 -8.287 1.00 0.24 H new ATOM 0 HA ALA A 9 0.075 8.862 -9.263 1.00 44.43 H new ATOM 0 HB1 ALA A 9 -0.396 9.243 -6.866 1.00 21.42 H new ATOM 0 HB2 ALA A 9 -0.481 7.516 -7.290 1.00 21.42 H new ATOM 0 HB3 ALA A 9 0.945 8.154 -6.438 1.00 21.42 H new ATOM 137 N ALA A 10 3.035 9.715 -8.421 1.00 30.01 N ATOM 138 CA ALA A 10 3.978 10.822 -8.327 1.00 10.45 C ATOM 139 C ALA A 10 4.367 11.332 -9.710 1.00 62.53 C ATOM 140 O ALA A 10 4.620 12.522 -9.897 1.00 72.01 O ATOM 141 CB ALA A 10 5.216 10.397 -7.551 1.00 70.21 C ATOM 0 H ALA A 10 3.470 8.795 -8.492 1.00 30.01 H new ATOM 0 HA ALA A 10 3.490 11.637 -7.793 1.00 10.45 H new ATOM 0 HB1 ALA A 10 5.912 11.234 -7.489 1.00 70.21 H new ATOM 0 HB2 ALA A 10 4.928 10.089 -6.546 1.00 70.21 H new ATOM 0 HB3 ALA A 10 5.697 9.563 -8.062 1.00 70.21 H new ATOM 147 N LYS A 11 4.415 10.423 -10.678 1.00 74.52 N ATOM 148 CA LYS A 11 4.773 10.779 -12.046 1.00 74.30 C ATOM 149 C LYS A 11 3.538 11.189 -12.842 1.00 40.32 C ATOM 150 O LYS A 11 3.622 12.007 -13.760 1.00 21.41 O ATOM 151 CB LYS A 11 5.469 9.603 -12.735 1.00 43.32 C ATOM 152 CG LYS A 11 6.318 10.013 -13.927 1.00 31.24 C ATOM 153 CD LYS A 11 7.097 8.835 -14.488 1.00 10.15 C ATOM 154 CE LYS A 11 8.497 9.247 -14.918 1.00 35.21 C ATOM 155 NZ LYS A 11 9.546 8.600 -14.083 1.00 23.11 N ATOM 0 H LYS A 11 4.210 9.433 -10.540 1.00 74.52 H new ATOM 0 HA LYS A 11 5.457 11.627 -12.007 1.00 74.30 H new ATOM 0 HB2 LYS A 11 6.100 9.089 -12.010 1.00 43.32 H new ATOM 0 HB3 LYS A 11 4.715 8.888 -13.065 1.00 43.32 H new ATOM 0 HG2 LYS A 11 5.678 10.431 -14.704 1.00 31.24 H new ATOM 0 HG3 LYS A 11 7.011 10.799 -13.628 1.00 31.24 H new ATOM 0 HD2 LYS A 11 7.163 8.049 -13.735 1.00 10.15 H new ATOM 0 HD3 LYS A 11 6.562 8.416 -15.340 1.00 10.15 H new ATOM 0 HE2 LYS A 11 8.649 8.980 -15.964 1.00 35.21 H new ATOM 0 HE3 LYS A 11 8.594 10.330 -14.848 1.00 35.21 H new ATOM 0 HZ1 LYS A 11 10.486 8.906 -14.407 1.00 23.11 H new ATOM 0 HZ2 LYS A 11 9.417 8.875 -13.088 1.00 23.11 H new ATOM 0 HZ3 LYS A 11 9.470 7.566 -14.169 1.00 23.11 H new ATOM 169 N LEU A 12 2.393 10.619 -12.485 1.00 33.10 N ATOM 170 CA LEU A 12 1.140 10.927 -13.165 1.00 74.04 C ATOM 171 C LEU A 12 0.733 12.378 -12.927 1.00 33.53 C ATOM 172 O LEU A 12 0.222 13.046 -13.826 1.00 64.41 O ATOM 173 CB LEU A 12 0.031 9.989 -12.685 1.00 23.34 C ATOM 174 CG LEU A 12 -0.305 8.818 -13.609 1.00 54.44 C ATOM 175 CD1 LEU A 12 -1.108 9.299 -14.808 1.00 54.21 C ATOM 176 CD2 LEU A 12 0.965 8.115 -14.064 1.00 21.03 C ATOM 0 H LEU A 12 2.306 9.941 -11.728 1.00 33.10 H new ATOM 0 HA LEU A 12 1.292 10.782 -14.235 1.00 74.04 H new ATOM 0 HB2 LEU A 12 0.318 9.588 -11.713 1.00 23.34 H new ATOM 0 HB3 LEU A 12 -0.874 10.577 -12.533 1.00 23.34 H new ATOM 0 HG LEU A 12 -0.912 8.104 -13.052 1.00 54.44 H new ATOM 0 HD11 LEU A 12 -1.338 8.453 -15.455 1.00 54.21 H new ATOM 0 HD12 LEU A 12 -2.036 9.756 -14.465 1.00 54.21 H new ATOM 0 HD13 LEU A 12 -0.526 10.033 -15.365 1.00 54.21 H new ATOM 0 HD21 LEU A 12 0.706 7.285 -14.721 1.00 21.03 H new ATOM 0 HD22 LEU A 12 1.598 8.820 -14.603 1.00 21.03 H new ATOM 0 HD23 LEU A 12 1.502 7.736 -13.195 1.00 21.03 H new ATOM 188 N ASP A 13 0.964 12.859 -11.710 1.00 72.32 N ATOM 189 CA ASP A 13 0.624 14.231 -11.354 1.00 4.43 C ATOM 190 C ASP A 13 1.434 15.224 -12.182 1.00 61.02 C ATOM 191 O ASP A 13 1.135 16.418 -12.204 1.00 44.13 O ATOM 192 CB ASP A 13 0.872 14.470 -9.864 1.00 4.15 C ATOM 193 CG ASP A 13 -0.416 14.570 -9.071 1.00 11.21 C ATOM 194 OD1 ASP A 13 -1.333 15.292 -9.517 1.00 71.51 O ATOM 195 OD2 ASP A 13 -0.508 13.927 -8.005 1.00 21.41 O ATOM 0 H ASP A 13 1.385 12.319 -10.954 1.00 72.32 H new ATOM 0 HA ASP A 13 -0.434 14.384 -11.568 1.00 4.43 H new ATOM 0 HB2 ASP A 13 1.479 13.657 -9.465 1.00 4.15 H new ATOM 0 HB3 ASP A 13 1.446 15.388 -9.737 1.00 4.15 H new ATOM 200 N ARG A 14 2.460 14.722 -12.861 1.00 63.22 N ATOM 201 CA ARG A 14 3.314 15.565 -13.689 1.00 64.31 C ATOM 202 C ARG A 14 2.887 15.501 -15.152 1.00 70.15 C ATOM 203 O ARG A 14 3.468 16.167 -16.010 1.00 1.51 O ATOM 204 CB ARG A 14 4.776 15.134 -13.554 1.00 43.44 C ATOM 205 CG ARG A 14 5.557 15.941 -12.529 1.00 75.31 C ATOM 206 CD ARG A 14 6.344 17.064 -13.186 1.00 14.03 C ATOM 207 NE ARG A 14 6.650 18.139 -12.246 1.00 44.21 N ATOM 208 CZ ARG A 14 7.573 18.043 -11.295 1.00 43.45 C ATOM 209 NH1 ARG A 14 8.276 16.927 -11.159 1.00 43.55 N ATOM 210 NH2 ARG A 14 7.795 19.065 -10.479 1.00 12.43 N ATOM 0 H ARG A 14 2.720 13.736 -12.854 1.00 63.22 H new ATOM 0 HA ARG A 14 3.212 16.594 -13.343 1.00 64.31 H new ATOM 0 HB2 ARG A 14 4.811 14.080 -13.278 1.00 43.44 H new ATOM 0 HB3 ARG A 14 5.264 15.226 -14.524 1.00 43.44 H new ATOM 0 HG2 ARG A 14 4.870 16.359 -11.793 1.00 75.31 H new ATOM 0 HG3 ARG A 14 6.240 15.284 -11.990 1.00 75.31 H new ATOM 0 HD2 ARG A 14 7.272 16.665 -13.596 1.00 14.03 H new ATOM 0 HD3 ARG A 14 5.773 17.466 -14.023 1.00 14.03 H new ATOM 0 HE ARG A 14 6.127 19.011 -12.324 1.00 44.21 H new ATOM 0 HH11 ARG A 14 8.109 16.139 -11.785 1.00 43.55 H new ATOM 0 HH12 ARG A 14 8.984 16.856 -10.428 1.00 43.55 H new ATOM 0 HH21 ARG A 14 7.257 19.925 -10.581 1.00 12.43 H new ATOM 0 HH22 ARG A 14 8.504 18.990 -9.749 1.00 12.43 H new ATOM 224 N LEU A 15 1.869 14.695 -15.431 1.00 74.32 N ATOM 225 CA LEU A 15 1.363 14.543 -16.791 1.00 71.11 C ATOM 226 C LEU A 15 -0.024 15.163 -16.929 1.00 31.53 C ATOM 227 O LEU A 15 -0.306 15.869 -17.897 1.00 32.41 O ATOM 228 CB LEU A 15 1.313 13.063 -17.176 1.00 4.24 C ATOM 229 CG LEU A 15 2.244 12.135 -16.394 1.00 40.12 C ATOM 230 CD1 LEU A 15 2.023 10.688 -16.806 1.00 25.21 C ATOM 231 CD2 LEU A 15 3.697 12.536 -16.605 1.00 32.03 C ATOM 0 H LEU A 15 1.377 14.136 -14.734 1.00 74.32 H new ATOM 0 HA LEU A 15 2.043 15.065 -17.465 1.00 71.11 H new ATOM 0 HB2 LEU A 15 0.290 12.709 -17.049 1.00 4.24 H new ATOM 0 HB3 LEU A 15 1.552 12.975 -18.236 1.00 4.24 H new ATOM 0 HG LEU A 15 2.013 12.229 -15.333 1.00 40.12 H new ATOM 0 HD11 LEU A 15 2.694 10.042 -16.240 1.00 25.21 H new ATOM 0 HD12 LEU A 15 0.990 10.406 -16.603 1.00 25.21 H new ATOM 0 HD13 LEU A 15 2.227 10.578 -17.871 1.00 25.21 H new ATOM 0 HD21 LEU A 15 4.345 11.865 -16.041 1.00 32.03 H new ATOM 0 HD22 LEU A 15 3.942 12.471 -17.665 1.00 32.03 H new ATOM 0 HD23 LEU A 15 3.846 13.559 -16.260 1.00 32.03 H new ATOM 243 N ASP A 16 -0.885 14.895 -15.953 1.00 51.20 N ATOM 244 CA ASP A 16 -2.242 15.429 -15.963 1.00 51.12 C ATOM 245 C ASP A 16 -2.908 15.194 -17.315 1.00 53.33 C ATOM 246 O ASP A 16 -3.657 16.040 -17.805 1.00 21.45 O ATOM 247 CB ASP A 16 -2.227 16.924 -15.641 1.00 12.12 C ATOM 248 CG ASP A 16 -2.077 17.195 -14.157 1.00 32.13 C ATOM 249 OD1 ASP A 16 -2.078 18.382 -13.767 1.00 31.54 O ATOM 250 OD2 ASP A 16 -1.960 16.220 -13.385 1.00 41.31 O ATOM 0 H ASP A 16 -0.667 14.311 -15.145 1.00 51.20 H new ATOM 0 HA ASP A 16 -2.817 14.907 -15.199 1.00 51.12 H new ATOM 0 HB2 ASP A 16 -1.407 17.400 -16.179 1.00 12.12 H new ATOM 0 HB3 ASP A 16 -3.150 17.379 -15.999 1.00 12.12 H new ATOM 255 N ALA A 17 -2.630 14.041 -17.914 1.00 43.12 N ATOM 256 CA ALA A 17 -3.203 13.695 -19.209 1.00 25.30 C ATOM 257 C ALA A 17 -4.370 12.727 -19.051 1.00 72.35 C ATOM 258 O ALA A 17 -5.510 13.058 -19.374 1.00 14.52 O ATOM 259 CB ALA A 17 -2.136 13.096 -20.115 1.00 35.04 C ATOM 0 H ALA A 17 -2.011 13.330 -17.523 1.00 43.12 H new ATOM 0 HA ALA A 17 -3.582 14.608 -19.667 1.00 25.30 H new ATOM 0 HB1 ALA A 17 -2.578 12.842 -21.079 1.00 35.04 H new ATOM 0 HB2 ALA A 17 -1.335 13.821 -20.262 1.00 35.04 H new ATOM 0 HB3 ALA A 17 -1.730 12.196 -19.653 1.00 35.04 H new ATOM 265 N GLU A 18 -4.077 11.529 -18.555 1.00 32.13 N ATOM 266 CA GLU A 18 -5.104 10.513 -18.357 1.00 30.24 C ATOM 267 C GLU A 18 -5.751 10.654 -16.982 1.00 24.55 C ATOM 268 O GLU A 18 -6.954 10.886 -16.870 1.00 54.51 O ATOM 269 CB GLU A 18 -4.504 9.113 -18.510 1.00 14.45 C ATOM 270 CG GLU A 18 -5.530 8.046 -18.851 1.00 32.30 C ATOM 271 CD GLU A 18 -5.484 6.866 -17.899 1.00 2.52 C ATOM 272 OE1 GLU A 18 -6.547 6.256 -17.660 1.00 23.15 O ATOM 273 OE2 GLU A 18 -4.386 6.554 -17.393 1.00 3.41 O ATOM 0 H GLU A 18 -3.138 11.238 -18.283 1.00 32.13 H new ATOM 0 HA GLU A 18 -5.872 10.656 -19.117 1.00 30.24 H new ATOM 0 HB2 GLU A 18 -3.743 9.136 -19.290 1.00 14.45 H new ATOM 0 HB3 GLU A 18 -4.001 8.839 -17.582 1.00 14.45 H new ATOM 0 HG2 GLU A 18 -6.527 8.486 -18.830 1.00 32.30 H new ATOM 0 HG3 GLU A 18 -5.358 7.694 -19.868 1.00 32.30 H new ATOM 280 N PHE A 19 -4.942 10.510 -15.937 1.00 32.34 N ATOM 281 CA PHE A 19 -5.435 10.619 -14.568 1.00 65.04 C ATOM 282 C PHE A 19 -6.124 11.962 -14.344 1.00 22.31 C ATOM 283 O PHE A 19 -6.908 12.120 -13.409 1.00 3.42 O ATOM 284 CB PHE A 19 -4.283 10.452 -13.575 1.00 31.44 C ATOM 285 CG PHE A 19 -4.395 9.215 -12.730 1.00 34.31 C ATOM 286 CD1 PHE A 19 -4.806 9.297 -11.409 1.00 61.31 C ATOM 287 CD2 PHE A 19 -4.090 7.970 -13.257 1.00 1.14 C ATOM 288 CE1 PHE A 19 -4.911 8.160 -10.629 1.00 43.51 C ATOM 289 CE2 PHE A 19 -4.193 6.830 -12.482 1.00 12.44 C ATOM 290 CZ PHE A 19 -4.603 6.926 -11.166 1.00 21.21 C ATOM 0 H PHE A 19 -3.943 10.318 -16.012 1.00 32.34 H new ATOM 0 HA PHE A 19 -6.164 9.825 -14.406 1.00 65.04 H new ATOM 0 HB2 PHE A 19 -3.342 10.423 -14.124 1.00 31.44 H new ATOM 0 HB3 PHE A 19 -4.246 11.325 -12.924 1.00 31.44 H new ATOM 0 HD1 PHE A 19 -5.047 10.260 -10.984 1.00 61.31 H new ATOM 0 HD2 PHE A 19 -3.768 7.890 -14.285 1.00 1.14 H new ATOM 0 HE1 PHE A 19 -5.233 8.237 -9.601 1.00 43.51 H new ATOM 0 HE2 PHE A 19 -3.953 5.865 -12.905 1.00 12.44 H new ATOM 0 HZ PHE A 19 -4.682 6.037 -10.558 1.00 21.21 H new ATOM 300 N ALA A 20 -5.825 12.925 -15.209 1.00 4.52 N ATOM 301 CA ALA A 20 -6.416 14.254 -15.107 1.00 24.13 C ATOM 302 C ALA A 20 -7.899 14.223 -15.459 1.00 41.52 C ATOM 303 O ALA A 20 -8.722 14.837 -14.779 1.00 72.54 O ATOM 304 CB ALA A 20 -5.677 15.231 -16.009 1.00 44.10 C ATOM 0 H ALA A 20 -5.177 12.810 -15.988 1.00 4.52 H new ATOM 0 HA ALA A 20 -6.322 14.589 -14.074 1.00 24.13 H new ATOM 0 HB1 ALA A 20 -6.129 16.219 -15.923 1.00 44.10 H new ATOM 0 HB2 ALA A 20 -4.630 15.283 -15.709 1.00 44.10 H new ATOM 0 HB3 ALA A 20 -5.741 14.892 -17.043 1.00 44.10 H new ATOM 310 N LYS A 21 -8.234 13.507 -16.527 1.00 21.33 N ATOM 311 CA LYS A 21 -9.618 13.395 -16.970 1.00 54.22 C ATOM 312 C LYS A 21 -10.340 12.276 -16.226 1.00 1.54 C ATOM 313 O LYS A 21 -11.569 12.255 -16.156 1.00 21.31 O ATOM 314 CB LYS A 21 -9.673 13.137 -18.478 1.00 13.13 C ATOM 315 CG LYS A 21 -9.624 14.404 -19.314 1.00 3.11 C ATOM 316 CD LYS A 21 -11.007 15.006 -19.497 1.00 2.13 C ATOM 317 CE LYS A 21 -11.092 15.831 -20.772 1.00 24.12 C ATOM 318 NZ LYS A 21 -11.855 15.126 -21.839 1.00 31.04 N ATOM 0 H LYS A 21 -7.565 12.995 -17.102 1.00 21.33 H new ATOM 0 HA LYS A 21 -10.121 14.337 -16.749 1.00 54.22 H new ATOM 0 HB2 LYS A 21 -8.839 12.494 -18.759 1.00 13.13 H new ATOM 0 HB3 LYS A 21 -10.588 12.593 -18.712 1.00 13.13 H new ATOM 0 HG2 LYS A 21 -8.970 15.132 -18.834 1.00 3.11 H new ATOM 0 HG3 LYS A 21 -9.192 14.181 -20.289 1.00 3.11 H new ATOM 0 HD2 LYS A 21 -11.750 14.209 -19.528 1.00 2.13 H new ATOM 0 HD3 LYS A 21 -11.248 15.634 -18.639 1.00 2.13 H new ATOM 0 HE2 LYS A 21 -11.569 16.787 -20.555 1.00 24.12 H new ATOM 0 HE3 LYS A 21 -10.086 16.051 -21.130 1.00 24.12 H new ATOM 0 HZ1 LYS A 21 -11.680 15.588 -22.754 1.00 31.04 H new ATOM 0 HZ2 LYS A 21 -11.547 14.134 -21.888 1.00 31.04 H new ATOM 0 HZ3 LYS A 21 -12.871 15.163 -21.621 1.00 31.04 H new ATOM 332 N LYS A 22 -9.568 11.349 -15.669 1.00 33.02 N ATOM 333 CA LYS A 22 -10.133 10.228 -14.926 1.00 41.25 C ATOM 334 C LYS A 22 -10.427 10.624 -13.483 1.00 42.51 C ATOM 335 O LYS A 22 -11.471 10.274 -12.934 1.00 41.10 O ATOM 336 CB LYS A 22 -9.173 9.036 -14.954 1.00 52.50 C ATOM 337 CG LYS A 22 -9.684 7.863 -15.773 1.00 5.42 C ATOM 338 CD LYS A 22 -9.977 8.270 -17.207 1.00 40.11 C ATOM 339 CE LYS A 22 -10.343 7.068 -18.064 1.00 30.33 C ATOM 340 NZ LYS A 22 -11.788 6.726 -17.952 1.00 12.41 N ATOM 0 H LYS A 22 -8.549 11.352 -15.718 1.00 33.02 H new ATOM 0 HA LYS A 22 -11.071 9.943 -15.404 1.00 41.25 H new ATOM 0 HB2 LYS A 22 -8.215 9.361 -15.359 1.00 52.50 H new ATOM 0 HB3 LYS A 22 -8.991 8.703 -13.932 1.00 52.50 H new ATOM 0 HG2 LYS A 22 -8.944 7.063 -15.765 1.00 5.42 H new ATOM 0 HG3 LYS A 22 -10.589 7.465 -15.315 1.00 5.42 H new ATOM 0 HD2 LYS A 22 -10.794 8.991 -17.222 1.00 40.11 H new ATOM 0 HD3 LYS A 22 -9.105 8.768 -17.630 1.00 40.11 H new ATOM 0 HE2 LYS A 22 -10.099 7.277 -19.106 1.00 30.33 H new ATOM 0 HE3 LYS A 22 -9.742 6.210 -17.762 1.00 30.33 H new ATOM 0 HZ1 LYS A 22 -11.997 5.902 -18.551 1.00 12.41 H new ATOM 0 HZ2 LYS A 22 -12.016 6.502 -16.962 1.00 12.41 H new ATOM 0 HZ3 LYS A 22 -12.362 7.535 -18.265 1.00 12.41 H new ATOM 354 N MET A 23 -9.500 11.358 -12.875 1.00 70.21 N ATOM 355 CA MET A 23 -9.662 11.804 -11.496 1.00 72.32 C ATOM 356 C MET A 23 -10.948 12.609 -11.333 1.00 24.54 C ATOM 357 O MET A 23 -11.573 12.586 -10.273 1.00 52.33 O ATOM 358 CB MET A 23 -8.460 12.647 -11.066 1.00 34.24 C ATOM 359 CG MET A 23 -8.519 13.091 -9.613 1.00 51.52 C ATOM 360 SD MET A 23 -8.548 11.704 -8.463 1.00 31.44 S ATOM 361 CE MET A 23 -9.758 12.276 -7.272 1.00 5.11 C ATOM 0 H MET A 23 -8.630 11.656 -13.315 1.00 70.21 H new ATOM 0 HA MET A 23 -9.724 10.922 -10.859 1.00 72.32 H new ATOM 0 HB2 MET A 23 -7.548 12.072 -11.225 1.00 34.24 H new ATOM 0 HB3 MET A 23 -8.397 13.528 -11.705 1.00 34.24 H new ATOM 0 HG2 MET A 23 -7.657 13.721 -9.395 1.00 51.52 H new ATOM 0 HG3 MET A 23 -9.408 13.703 -9.460 1.00 51.52 H new ATOM 0 HE1 MET A 23 -9.549 11.832 -6.299 1.00 5.11 H new ATOM 0 HE2 MET A 23 -9.706 13.362 -7.194 1.00 5.11 H new ATOM 0 HE3 MET A 23 -10.756 11.983 -7.598 1.00 5.11 H new ATOM 371 N GLU A 24 -11.335 13.318 -12.388 1.00 43.21 N ATOM 372 CA GLU A 24 -12.545 14.131 -12.359 1.00 72.41 C ATOM 373 C GLU A 24 -13.768 13.274 -12.042 1.00 3.34 C ATOM 374 O GLU A 24 -14.482 13.530 -11.073 1.00 30.11 O ATOM 375 CB GLU A 24 -12.741 14.841 -13.700 1.00 11.51 C ATOM 376 CG GLU A 24 -12.985 16.335 -13.567 1.00 4.42 C ATOM 377 CD GLU A 24 -14.134 16.818 -14.429 1.00 54.25 C ATOM 378 OE1 GLU A 24 -13.867 17.382 -15.511 1.00 53.43 O ATOM 379 OE2 GLU A 24 -15.300 16.632 -14.023 1.00 54.43 O ATOM 0 H GLU A 24 -10.829 13.346 -13.273 1.00 43.21 H new ATOM 0 HA GLU A 24 -12.432 14.878 -11.573 1.00 72.41 H new ATOM 0 HB2 GLU A 24 -11.859 14.679 -14.320 1.00 11.51 H new ATOM 0 HB3 GLU A 24 -13.584 14.388 -14.221 1.00 11.51 H new ATOM 0 HG2 GLU A 24 -13.193 16.574 -12.524 1.00 4.42 H new ATOM 0 HG3 GLU A 24 -12.078 16.873 -13.842 1.00 4.42 H new ATOM 386 N GLU A 25 -14.001 12.258 -12.866 1.00 31.32 N ATOM 387 CA GLU A 25 -15.138 11.365 -12.674 1.00 22.34 C ATOM 388 C GLU A 25 -14.799 10.260 -11.677 1.00 32.12 C ATOM 389 O GLU A 25 -15.634 9.408 -11.373 1.00 2.24 O ATOM 390 CB GLU A 25 -15.563 10.750 -14.008 1.00 70.45 C ATOM 391 CG GLU A 25 -17.017 11.012 -14.364 1.00 42.10 C ATOM 392 CD GLU A 25 -17.354 12.490 -14.386 1.00 52.20 C ATOM 393 OE1 GLU A 25 -16.588 13.264 -14.998 1.00 21.05 O ATOM 394 OE2 GLU A 25 -18.384 12.873 -13.792 1.00 44.31 O ATOM 0 H GLU A 25 -13.418 12.032 -13.672 1.00 31.32 H new ATOM 0 HA GLU A 25 -15.965 11.952 -12.273 1.00 22.34 H new ATOM 0 HB2 GLU A 25 -14.927 11.146 -14.800 1.00 70.45 H new ATOM 0 HB3 GLU A 25 -15.395 9.674 -13.972 1.00 70.45 H new ATOM 0 HG2 GLU A 25 -17.232 10.579 -15.341 1.00 42.10 H new ATOM 0 HG3 GLU A 25 -17.660 10.507 -13.644 1.00 42.10 H new ATOM 401 N GLN A 26 -13.569 10.282 -11.173 1.00 74.24 N ATOM 402 CA GLN A 26 -13.120 9.282 -10.212 1.00 70.53 C ATOM 403 C GLN A 26 -13.932 9.361 -8.924 1.00 75.21 C ATOM 404 O GLN A 26 -14.178 8.348 -8.271 1.00 31.14 O ATOM 405 CB GLN A 26 -11.634 9.471 -9.904 1.00 43.04 C ATOM 406 CG GLN A 26 -11.067 8.417 -8.967 1.00 73.31 C ATOM 407 CD GLN A 26 -10.367 7.294 -9.707 1.00 32.22 C ATOM 408 OE1 GLN A 26 -10.885 6.181 -9.804 1.00 34.01 O ATOM 409 NE2 GLN A 26 -9.183 7.580 -10.234 1.00 5.01 N ATOM 0 H GLN A 26 -12.866 10.981 -11.414 1.00 74.24 H new ATOM 0 HA GLN A 26 -13.270 8.297 -10.654 1.00 70.53 H new ATOM 0 HB2 GLN A 26 -11.073 9.454 -10.838 1.00 43.04 H new ATOM 0 HB3 GLN A 26 -11.486 10.456 -9.461 1.00 43.04 H new ATOM 0 HG2 GLN A 26 -10.364 8.888 -8.280 1.00 73.31 H new ATOM 0 HG3 GLN A 26 -11.874 8.002 -8.363 1.00 73.31 H new ATOM 0 HE21 GLN A 26 -8.791 8.516 -10.130 1.00 5.01 H new ATOM 0 HE22 GLN A 26 -8.665 6.864 -10.743 1.00 5.01 H new ATOM 418 N ASN A 27 -14.346 10.572 -8.565 1.00 34.41 N ATOM 419 CA ASN A 27 -15.131 10.783 -7.354 1.00 3.13 C ATOM 420 C ASN A 27 -16.330 9.841 -7.311 1.00 13.31 C ATOM 421 O ASN A 27 -16.794 9.457 -6.237 1.00 73.12 O ATOM 422 CB ASN A 27 -15.605 12.236 -7.276 1.00 35.53 C ATOM 423 CG ASN A 27 -15.549 12.787 -5.864 1.00 50.22 C ATOM 424 OD1 ASN A 27 -14.649 13.555 -5.521 1.00 74.53 O ATOM 425 ND2 ASN A 27 -16.513 12.397 -5.038 1.00 3.42 N ATOM 0 H ASN A 27 -14.151 11.421 -9.095 1.00 34.41 H new ATOM 0 HA ASN A 27 -14.494 10.569 -6.496 1.00 3.13 H new ATOM 0 HB2 ASN A 27 -14.987 12.853 -7.929 1.00 35.53 H new ATOM 0 HB3 ASN A 27 -16.627 12.303 -7.649 1.00 35.53 H new ATOM 0 HD21 ASN A 27 -16.528 12.735 -4.076 1.00 3.42 H new ATOM 0 HD22 ASN A 27 -17.238 11.759 -5.366 1.00 3.42 H new ATOM 432 N LYS A 28 -16.828 9.472 -8.486 1.00 40.44 N ATOM 433 CA LYS A 28 -17.972 8.574 -8.585 1.00 52.14 C ATOM 434 C LYS A 28 -17.531 7.118 -8.479 1.00 72.32 C ATOM 435 O LYS A 28 -18.059 6.357 -7.667 1.00 43.43 O ATOM 436 CB LYS A 28 -18.711 8.799 -9.907 1.00 2.44 C ATOM 437 CG LYS A 28 -19.292 10.196 -10.048 1.00 62.42 C ATOM 438 CD LYS A 28 -20.738 10.153 -10.513 1.00 2.30 C ATOM 439 CE LYS A 28 -21.163 11.476 -11.133 1.00 20.42 C ATOM 440 NZ LYS A 28 -21.574 11.315 -12.555 1.00 65.12 N ATOM 0 H LYS A 28 -16.457 9.782 -9.384 1.00 40.44 H new ATOM 0 HA LYS A 28 -18.646 8.793 -7.757 1.00 52.14 H new ATOM 0 HB2 LYS A 28 -18.025 8.615 -10.733 1.00 2.44 H new ATOM 0 HB3 LYS A 28 -19.516 8.069 -9.993 1.00 2.44 H new ATOM 0 HG2 LYS A 28 -19.232 10.715 -9.091 1.00 62.42 H new ATOM 0 HG3 LYS A 28 -18.697 10.769 -10.759 1.00 62.42 H new ATOM 0 HD2 LYS A 28 -20.864 9.352 -11.241 1.00 2.30 H new ATOM 0 HD3 LYS A 28 -21.386 9.921 -9.668 1.00 2.30 H new ATOM 0 HE2 LYS A 28 -21.990 11.896 -10.561 1.00 20.42 H new ATOM 0 HE3 LYS A 28 -20.339 12.187 -11.071 1.00 20.42 H new ATOM 0 HZ1 LYS A 28 -21.856 12.238 -12.941 1.00 65.12 H new ATOM 0 HZ2 LYS A 28 -20.777 10.938 -13.106 1.00 65.12 H new ATOM 0 HZ3 LYS A 28 -22.376 10.656 -12.612 1.00 65.12 H new ATOM 454 N ARG A 29 -16.561 6.736 -9.303 1.00 43.42 N ATOM 455 CA ARG A 29 -16.049 5.371 -9.301 1.00 51.22 C ATOM 456 C ARG A 29 -15.469 5.010 -7.937 1.00 4.20 C ATOM 457 O ARG A 29 -15.348 3.834 -7.593 1.00 50.14 O ATOM 458 CB ARG A 29 -14.980 5.203 -10.383 1.00 35.22 C ATOM 459 CG ARG A 29 -15.517 4.631 -11.685 1.00 42.21 C ATOM 460 CD ARG A 29 -15.353 5.614 -12.834 1.00 64.31 C ATOM 461 NE ARG A 29 -15.213 4.934 -14.119 1.00 42.43 N ATOM 462 CZ ARG A 29 -14.096 4.333 -14.515 1.00 55.02 C ATOM 463 NH1 ARG A 29 -13.029 4.327 -13.729 1.00 64.55 N ATOM 464 NH2 ARG A 29 -14.047 3.736 -15.699 1.00 50.12 N ATOM 0 H ARG A 29 -16.114 7.353 -9.981 1.00 43.42 H new ATOM 0 HA ARG A 29 -16.880 4.698 -9.513 1.00 51.22 H new ATOM 0 HB2 ARG A 29 -14.522 6.172 -10.583 1.00 35.22 H new ATOM 0 HB3 ARG A 29 -14.193 4.550 -10.006 1.00 35.22 H new ATOM 0 HG2 ARG A 29 -14.994 3.704 -11.920 1.00 42.21 H new ATOM 0 HG3 ARG A 29 -16.571 4.381 -11.566 1.00 42.21 H new ATOM 0 HD2 ARG A 29 -16.216 6.279 -12.868 1.00 64.31 H new ATOM 0 HD3 ARG A 29 -14.477 6.237 -12.656 1.00 64.31 H new ATOM 0 HE ARG A 29 -16.017 4.920 -14.747 1.00 42.43 H new ATOM 0 HH11 ARG A 29 -13.064 4.784 -12.818 1.00 64.55 H new ATOM 0 HH12 ARG A 29 -12.173 3.865 -14.035 1.00 64.55 H new ATOM 0 HH21 ARG A 29 -14.867 3.738 -16.306 1.00 50.12 H new ATOM 0 HH22 ARG A 29 -13.189 3.275 -16.003 1.00 50.12 H new ATOM 478 N PHE A 30 -15.110 6.030 -7.164 1.00 31.33 N ATOM 479 CA PHE A 30 -14.541 5.820 -5.838 1.00 2.24 C ATOM 480 C PHE A 30 -15.598 5.299 -4.868 1.00 44.21 C ATOM 481 O PHE A 30 -15.371 4.325 -4.150 1.00 11.11 O ATOM 482 CB PHE A 30 -13.942 7.123 -5.305 1.00 1.53 C ATOM 483 CG PHE A 30 -13.510 7.042 -3.869 1.00 21.55 C ATOM 484 CD1 PHE A 30 -12.756 5.970 -3.418 1.00 34.30 C ATOM 485 CD2 PHE A 30 -13.858 8.036 -2.969 1.00 1.22 C ATOM 486 CE1 PHE A 30 -12.357 5.891 -2.097 1.00 41.30 C ATOM 487 CE2 PHE A 30 -13.461 7.964 -1.647 1.00 70.50 C ATOM 488 CZ PHE A 30 -12.711 6.889 -1.210 1.00 43.22 C ATOM 0 H PHE A 30 -15.203 7.009 -7.433 1.00 31.33 H new ATOM 0 HA PHE A 30 -13.752 5.073 -5.923 1.00 2.24 H new ATOM 0 HB2 PHE A 30 -13.084 7.397 -5.919 1.00 1.53 H new ATOM 0 HB3 PHE A 30 -14.677 7.921 -5.410 1.00 1.53 H new ATOM 0 HD1 PHE A 30 -12.477 5.187 -4.107 1.00 34.30 H new ATOM 0 HD2 PHE A 30 -14.447 8.877 -3.304 1.00 1.22 H new ATOM 0 HE1 PHE A 30 -11.769 5.050 -1.759 1.00 41.30 H new ATOM 0 HE2 PHE A 30 -13.737 8.747 -0.956 1.00 70.50 H new ATOM 0 HZ PHE A 30 -12.402 6.829 -0.177 1.00 43.22 H new ATOM 498 N PHE A 31 -16.753 5.956 -4.853 1.00 21.41 N ATOM 499 CA PHE A 31 -17.845 5.561 -3.971 1.00 71.30 C ATOM 500 C PHE A 31 -18.189 4.086 -4.158 1.00 24.34 C ATOM 501 O PHE A 31 -18.714 3.440 -3.251 1.00 51.41 O ATOM 502 CB PHE A 31 -19.081 6.422 -4.238 1.00 74.43 C ATOM 503 CG PHE A 31 -20.180 6.221 -3.234 1.00 0.42 C ATOM 504 CD1 PHE A 31 -21.162 5.266 -3.442 1.00 44.01 C ATOM 505 CD2 PHE A 31 -20.231 6.989 -2.081 1.00 72.13 C ATOM 506 CE1 PHE A 31 -22.174 5.079 -2.520 1.00 23.14 C ATOM 507 CE2 PHE A 31 -21.241 6.806 -1.155 1.00 64.01 C ATOM 508 CZ PHE A 31 -22.214 5.851 -1.375 1.00 63.30 C ATOM 0 H PHE A 31 -16.957 6.764 -5.441 1.00 21.41 H new ATOM 0 HA PHE A 31 -17.520 5.713 -2.942 1.00 71.30 H new ATOM 0 HB2 PHE A 31 -18.789 7.472 -4.240 1.00 74.43 H new ATOM 0 HB3 PHE A 31 -19.463 6.196 -5.233 1.00 74.43 H new ATOM 0 HD1 PHE A 31 -21.136 4.660 -4.336 1.00 44.01 H new ATOM 0 HD2 PHE A 31 -19.474 7.738 -1.904 1.00 72.13 H new ATOM 0 HE1 PHE A 31 -22.933 4.330 -2.694 1.00 23.14 H new ATOM 0 HE2 PHE A 31 -21.269 7.410 -0.260 1.00 64.01 H new ATOM 0 HZ PHE A 31 -23.005 5.708 -0.653 1.00 63.30 H new ATOM 518 N ALA A 32 -17.888 3.559 -5.340 1.00 50.44 N ATOM 519 CA ALA A 32 -18.163 2.161 -5.646 1.00 51.14 C ATOM 520 C ALA A 32 -16.897 1.318 -5.546 1.00 23.44 C ATOM 521 O ALA A 32 -16.962 0.100 -5.377 1.00 73.11 O ATOM 522 CB ALA A 32 -18.775 2.035 -7.034 1.00 24.11 C ATOM 0 H ALA A 32 -17.453 4.080 -6.102 1.00 50.44 H new ATOM 0 HA ALA A 32 -18.876 1.787 -4.911 1.00 51.14 H new ATOM 0 HB1 ALA A 32 -18.975 0.985 -7.249 1.00 24.11 H new ATOM 0 HB2 ALA A 32 -19.708 2.598 -7.073 1.00 24.11 H new ATOM 0 HB3 ALA A 32 -18.081 2.431 -7.775 1.00 24.11 H new ATOM 528 N ASP A 33 -15.746 1.972 -5.651 1.00 3.43 N ATOM 529 CA ASP A 33 -14.463 1.282 -5.571 1.00 14.30 C ATOM 530 C ASP A 33 -14.007 1.149 -4.121 1.00 40.54 C ATOM 531 O ASP A 33 -12.896 0.694 -3.848 1.00 12.20 O ATOM 532 CB ASP A 33 -13.406 2.030 -6.385 1.00 73.11 C ATOM 533 CG ASP A 33 -12.093 1.276 -6.460 1.00 0.14 C ATOM 534 OD1 ASP A 33 -12.009 0.305 -7.241 1.00 34.15 O ATOM 535 OD2 ASP A 33 -11.149 1.658 -5.738 1.00 25.03 O ATOM 0 H ASP A 33 -15.674 2.980 -5.792 1.00 3.43 H new ATOM 0 HA ASP A 33 -14.589 0.282 -5.986 1.00 14.30 H new ATOM 0 HB2 ASP A 33 -13.782 2.200 -7.394 1.00 73.11 H new ATOM 0 HB3 ASP A 33 -13.234 3.010 -5.939 1.00 73.11 H new ATOM 540 N LYS A 34 -14.871 1.551 -3.195 1.00 70.03 N ATOM 541 CA LYS A 34 -14.558 1.477 -1.773 1.00 52.21 C ATOM 542 C LYS A 34 -14.039 0.092 -1.401 1.00 72.03 C ATOM 543 O LYS A 34 -14.296 -0.898 -2.086 1.00 71.15 O ATOM 544 CB LYS A 34 -15.798 1.810 -0.939 1.00 64.13 C ATOM 545 CG LYS A 34 -17.067 1.147 -1.445 1.00 60.24 C ATOM 546 CD LYS A 34 -17.813 0.443 -0.325 1.00 34.24 C ATOM 547 CE LYS A 34 -18.826 -0.553 -0.869 1.00 24.42 C ATOM 548 NZ LYS A 34 -19.668 -1.136 0.213 1.00 44.42 N ATOM 0 H LYS A 34 -15.794 1.932 -3.404 1.00 70.03 H new ATOM 0 HA LYS A 34 -13.777 2.207 -1.560 1.00 52.21 H new ATOM 0 HB2 LYS A 34 -15.625 1.504 0.093 1.00 64.13 H new ATOM 0 HB3 LYS A 34 -15.941 2.891 -0.931 1.00 64.13 H new ATOM 0 HG2 LYS A 34 -17.714 1.897 -1.899 1.00 60.24 H new ATOM 0 HG3 LYS A 34 -16.817 0.428 -2.225 1.00 60.24 H new ATOM 0 HD2 LYS A 34 -17.101 -0.075 0.318 1.00 34.24 H new ATOM 0 HD3 LYS A 34 -18.323 1.181 0.294 1.00 34.24 H new ATOM 0 HE2 LYS A 34 -19.466 -0.058 -1.600 1.00 24.42 H new ATOM 0 HE3 LYS A 34 -18.303 -1.353 -1.393 1.00 24.42 H new ATOM 0 HZ1 LYS A 34 -20.345 -1.809 -0.199 1.00 44.42 H new ATOM 0 HZ2 LYS A 34 -19.061 -1.630 0.897 1.00 44.42 H new ATOM 0 HZ3 LYS A 34 -20.187 -0.376 0.697 1.00 44.42 H new ATOM 562 N PRO A 35 -13.292 0.018 -0.290 1.00 33.44 N ATOM 563 CA PRO A 35 -12.724 -1.242 0.199 1.00 4.02 C ATOM 564 C PRO A 35 -13.791 -2.190 0.735 1.00 63.51 C ATOM 565 O PRO A 35 -14.213 -2.079 1.886 1.00 4.21 O ATOM 566 CB PRO A 35 -11.790 -0.796 1.327 1.00 10.41 C ATOM 567 CG PRO A 35 -12.352 0.503 1.793 1.00 75.12 C ATOM 568 CD PRO A 35 -12.946 1.157 0.576 1.00 1.40 C ATOM 0 HA PRO A 35 -12.223 -1.798 -0.594 1.00 4.02 H new ATOM 0 HB2 PRO A 35 -11.765 -1.529 2.134 1.00 10.41 H new ATOM 0 HB3 PRO A 35 -10.766 -0.680 0.971 1.00 10.41 H new ATOM 0 HG2 PRO A 35 -13.109 0.347 2.561 1.00 75.12 H new ATOM 0 HG3 PRO A 35 -11.576 1.129 2.233 1.00 75.12 H new ATOM 0 HD2 PRO A 35 -13.824 1.751 0.828 1.00 1.40 H new ATOM 0 HD3 PRO A 35 -12.235 1.827 0.093 1.00 1.40 H new ATOM 576 N ASP A 36 -14.222 -3.123 -0.106 1.00 75.44 N ATOM 577 CA ASP A 36 -15.240 -4.093 0.283 1.00 3.14 C ATOM 578 C ASP A 36 -14.737 -5.519 0.081 1.00 10.13 C ATOM 579 O ASP A 36 -15.046 -6.413 0.868 1.00 34.01 O ATOM 580 CB ASP A 36 -16.521 -3.872 -0.522 1.00 0.51 C ATOM 581 CG ASP A 36 -17.722 -4.554 0.102 1.00 14.44 C ATOM 582 OD1 ASP A 36 -18.115 -4.158 1.220 1.00 32.02 O ATOM 583 OD2 ASP A 36 -18.270 -5.482 -0.527 1.00 34.30 O ATOM 0 H ASP A 36 -13.883 -3.229 -1.062 1.00 75.44 H new ATOM 0 HA ASP A 36 -15.457 -3.950 1.342 1.00 3.14 H new ATOM 0 HB2 ASP A 36 -16.716 -2.803 -0.603 1.00 0.51 H new ATOM 0 HB3 ASP A 36 -16.379 -4.248 -1.535 1.00 0.51 H new ATOM 588 N GLU A 37 -13.961 -5.723 -0.979 1.00 34.01 N ATOM 589 CA GLU A 37 -13.418 -7.041 -1.285 1.00 31.23 C ATOM 590 C GLU A 37 -11.898 -7.048 -1.148 1.00 73.30 C ATOM 591 O GLU A 37 -11.302 -8.063 -0.789 1.00 44.10 O ATOM 592 CB GLU A 37 -13.816 -7.465 -2.700 1.00 61.50 C ATOM 593 CG GLU A 37 -13.291 -8.836 -3.095 1.00 0.42 C ATOM 594 CD GLU A 37 -12.456 -8.798 -4.360 1.00 72.12 C ATOM 595 OE1 GLU A 37 -12.617 -9.705 -5.203 1.00 71.43 O ATOM 596 OE2 GLU A 37 -11.642 -7.863 -4.507 1.00 54.43 O ATOM 0 H GLU A 37 -13.695 -4.993 -1.640 1.00 34.01 H new ATOM 0 HA GLU A 37 -13.833 -7.752 -0.571 1.00 31.23 H new ATOM 0 HB2 GLU A 37 -14.903 -7.465 -2.778 1.00 61.50 H new ATOM 0 HB3 GLU A 37 -13.446 -6.725 -3.410 1.00 61.50 H new ATOM 0 HG2 GLU A 37 -12.691 -9.240 -2.280 1.00 0.42 H new ATOM 0 HG3 GLU A 37 -14.131 -9.515 -3.239 1.00 0.42 H new ATOM 603 N ALA A 38 -11.279 -5.909 -1.438 1.00 3.23 N ATOM 604 CA ALA A 38 -9.829 -5.783 -1.346 1.00 55.41 C ATOM 605 C ALA A 38 -9.410 -5.254 0.021 1.00 22.24 C ATOM 606 O ALA A 38 -8.266 -5.431 0.443 1.00 13.22 O ATOM 607 CB ALA A 38 -9.308 -4.873 -2.448 1.00 52.54 C ATOM 0 H ALA A 38 -11.758 -5.060 -1.739 1.00 3.23 H new ATOM 0 HA ALA A 38 -9.394 -6.774 -1.472 1.00 55.41 H new ATOM 0 HB1 ALA A 38 -8.224 -4.788 -2.368 1.00 52.54 H new ATOM 0 HB2 ALA A 38 -9.568 -5.293 -3.420 1.00 52.54 H new ATOM 0 HB3 ALA A 38 -9.758 -3.885 -2.347 1.00 52.54 H new ATOM 613 N THR A 39 -10.342 -4.604 0.711 1.00 0.11 N ATOM 614 CA THR A 39 -10.068 -4.048 2.030 1.00 12.12 C ATOM 615 C THR A 39 -8.655 -3.481 2.106 1.00 71.35 C ATOM 616 O THR A 39 -7.941 -3.695 3.086 1.00 22.10 O ATOM 617 CB THR A 39 -10.244 -5.108 3.134 1.00 44.10 C ATOM 618 OG1 THR A 39 -10.000 -4.523 4.418 1.00 1.01 O ATOM 619 CG2 THR A 39 -9.296 -6.278 2.916 1.00 12.00 C ATOM 0 H THR A 39 -11.294 -4.450 0.378 1.00 0.11 H new ATOM 0 HA THR A 39 -10.787 -3.245 2.190 1.00 12.12 H new ATOM 0 HB THR A 39 -11.269 -5.478 3.092 1.00 44.10 H new ATOM 0 HG1 THR A 39 -9.125 -4.081 4.415 1.00 1.01 H new ATOM 0 HG21 THR A 39 -9.438 -7.014 3.708 1.00 12.00 H new ATOM 0 HG22 THR A 39 -9.503 -6.739 1.950 1.00 12.00 H new ATOM 0 HG23 THR A 39 -8.267 -5.920 2.934 1.00 12.00 H new ATOM 627 N LEU A 40 -8.257 -2.757 1.065 1.00 21.33 N ATOM 628 CA LEU A 40 -6.928 -2.158 1.014 1.00 23.30 C ATOM 629 C LEU A 40 -6.826 -0.975 1.971 1.00 33.24 C ATOM 630 O LEU A 40 -7.804 -0.604 2.621 1.00 42.11 O ATOM 631 CB LEU A 40 -6.606 -1.705 -0.411 1.00 42.10 C ATOM 632 CG LEU A 40 -7.150 -0.335 -0.819 1.00 24.14 C ATOM 633 CD1 LEU A 40 -6.699 0.021 -2.227 1.00 22.23 C ATOM 634 CD2 LEU A 40 -8.668 -0.314 -0.721 1.00 51.34 C ATOM 0 H LEU A 40 -8.835 -2.571 0.246 1.00 21.33 H new ATOM 0 HA LEU A 40 -6.204 -2.913 1.321 1.00 23.30 H new ATOM 0 HB2 LEU A 40 -5.523 -1.694 -0.531 1.00 42.10 H new ATOM 0 HB3 LEU A 40 -6.996 -2.450 -1.105 1.00 42.10 H new ATOM 0 HG LEU A 40 -6.751 0.412 -0.133 1.00 24.14 H new ATOM 0 HD11 LEU A 40 -7.096 0.999 -2.500 1.00 22.23 H new ATOM 0 HD12 LEU A 40 -5.610 0.048 -2.264 1.00 22.23 H new ATOM 0 HD13 LEU A 40 -7.068 -0.728 -2.928 1.00 22.23 H new ATOM 0 HD21 LEU A 40 -9.038 0.668 -1.015 1.00 51.34 H new ATOM 0 HD22 LEU A 40 -9.086 -1.072 -1.383 1.00 51.34 H new ATOM 0 HD23 LEU A 40 -8.969 -0.523 0.305 1.00 51.34 H new ATOM 646 N SER A 41 -5.638 -0.386 2.052 1.00 44.22 N ATOM 647 CA SER A 41 -5.408 0.755 2.931 1.00 62.31 C ATOM 648 C SER A 41 -5.593 2.068 2.177 1.00 71.13 C ATOM 649 O SER A 41 -5.655 2.104 0.948 1.00 44.24 O ATOM 650 CB SER A 41 -4.001 0.690 3.528 1.00 45.35 C ATOM 651 OG SER A 41 -3.383 -0.553 3.244 1.00 63.03 O ATOM 0 H SER A 41 -4.819 -0.680 1.520 1.00 44.22 H new ATOM 0 HA SER A 41 -6.140 0.714 3.738 1.00 62.31 H new ATOM 0 HB2 SER A 41 -3.394 1.501 3.126 1.00 45.35 H new ATOM 0 HB3 SER A 41 -4.053 0.835 4.607 1.00 45.35 H new ATOM 0 HG SER A 41 -2.484 -0.568 3.635 1.00 63.03 H new ATOM 657 N PRO A 42 -5.685 3.174 2.930 1.00 64.01 N ATOM 658 CA PRO A 42 -5.864 4.511 2.355 1.00 23.51 C ATOM 659 C PRO A 42 -4.620 4.996 1.619 1.00 41.41 C ATOM 660 O PRO A 42 -4.531 6.162 1.236 1.00 42.41 O ATOM 661 CB PRO A 42 -6.138 5.389 3.578 1.00 33.24 C ATOM 662 CG PRO A 42 -5.493 4.671 4.713 1.00 72.51 C ATOM 663 CD PRO A 42 -5.620 3.205 4.401 1.00 44.03 C ATOM 0 HA PRO A 42 -6.661 4.532 1.611 1.00 23.51 H new ATOM 0 HB2 PRO A 42 -5.718 6.387 3.451 1.00 33.24 H new ATOM 0 HB3 PRO A 42 -7.208 5.513 3.745 1.00 33.24 H new ATOM 0 HG2 PRO A 42 -4.447 4.959 4.813 1.00 72.51 H new ATOM 0 HG3 PRO A 42 -5.982 4.913 5.657 1.00 72.51 H new ATOM 0 HD2 PRO A 42 -4.768 2.639 4.778 1.00 44.03 H new ATOM 0 HD3 PRO A 42 -6.514 2.774 4.852 1.00 44.03 H new ATOM 671 N GLU A 43 -3.663 4.095 1.424 1.00 22.42 N ATOM 672 CA GLU A 43 -2.424 4.433 0.734 1.00 50.33 C ATOM 673 C GLU A 43 -2.714 5.114 -0.601 1.00 63.21 C ATOM 674 O GLU A 43 -1.945 5.959 -1.058 1.00 52.24 O ATOM 675 CB GLU A 43 -1.581 3.177 0.506 1.00 72.24 C ATOM 676 CG GLU A 43 -1.898 2.459 -0.796 1.00 1.32 C ATOM 677 CD GLU A 43 -1.444 1.012 -0.790 1.00 11.53 C ATOM 678 OE1 GLU A 43 -2.177 0.159 -1.333 1.00 44.44 O ATOM 679 OE2 GLU A 43 -0.358 0.733 -0.241 1.00 43.14 O ATOM 0 H GLU A 43 -3.722 3.125 1.734 1.00 22.42 H new ATOM 0 HA GLU A 43 -1.865 5.126 1.363 1.00 50.33 H new ATOM 0 HB2 GLU A 43 -0.526 3.452 0.512 1.00 72.24 H new ATOM 0 HB3 GLU A 43 -1.736 2.489 1.337 1.00 72.24 H new ATOM 0 HG2 GLU A 43 -2.972 2.498 -0.976 1.00 1.32 H new ATOM 0 HG3 GLU A 43 -1.417 2.983 -1.622 1.00 1.32 H new ATOM 686 N MET A 44 -3.828 4.738 -1.221 1.00 23.23 N ATOM 687 CA MET A 44 -4.220 5.312 -2.503 1.00 23.03 C ATOM 688 C MET A 44 -5.067 6.564 -2.301 1.00 54.02 C ATOM 689 O MET A 44 -5.110 7.443 -3.162 1.00 60.25 O ATOM 690 CB MET A 44 -4.995 4.285 -3.330 1.00 62.21 C ATOM 691 CG MET A 44 -5.625 4.866 -4.585 1.00 43.25 C ATOM 692 SD MET A 44 -7.399 5.134 -4.412 1.00 73.22 S ATOM 693 CE MET A 44 -8.040 3.610 -5.102 1.00 54.32 C ATOM 0 H MET A 44 -4.475 4.039 -0.856 1.00 23.23 H new ATOM 0 HA MET A 44 -3.314 5.591 -3.041 1.00 23.03 H new ATOM 0 HB2 MET A 44 -4.322 3.476 -3.613 1.00 62.21 H new ATOM 0 HB3 MET A 44 -5.777 3.847 -2.710 1.00 62.21 H new ATOM 0 HG2 MET A 44 -5.140 5.812 -4.825 1.00 43.25 H new ATOM 0 HG3 MET A 44 -5.443 4.193 -5.423 1.00 43.25 H new ATOM 0 HE1 MET A 44 -9.129 3.624 -5.066 1.00 54.32 H new ATOM 0 HE2 MET A 44 -7.713 3.513 -6.137 1.00 54.32 H new ATOM 0 HE3 MET A 44 -7.669 2.764 -4.524 1.00 54.32 H new ATOM 703 N LYS A 45 -5.741 6.639 -1.159 1.00 14.23 N ATOM 704 CA LYS A 45 -6.588 7.784 -0.843 1.00 23.22 C ATOM 705 C LYS A 45 -5.755 8.946 -0.312 1.00 2.12 C ATOM 706 O LYS A 45 -6.189 10.097 -0.344 1.00 3.15 O ATOM 707 CB LYS A 45 -7.649 7.391 0.187 1.00 31.31 C ATOM 708 CG LYS A 45 -8.406 6.124 -0.173 1.00 12.12 C ATOM 709 CD LYS A 45 -9.884 6.245 0.157 1.00 15.23 C ATOM 710 CE LYS A 45 -10.118 6.290 1.660 1.00 52.45 C ATOM 711 NZ LYS A 45 -10.704 7.590 2.091 1.00 62.11 N ATOM 0 H LYS A 45 -5.718 5.920 -0.436 1.00 14.23 H new ATOM 0 HA LYS A 45 -7.082 8.103 -1.761 1.00 23.22 H new ATOM 0 HB2 LYS A 45 -7.169 7.255 1.156 1.00 31.31 H new ATOM 0 HB3 LYS A 45 -8.360 8.210 0.295 1.00 31.31 H new ATOM 0 HG2 LYS A 45 -8.285 5.917 -1.236 1.00 12.12 H new ATOM 0 HG3 LYS A 45 -7.980 5.278 0.367 1.00 12.12 H new ATOM 0 HD2 LYS A 45 -10.288 7.147 -0.302 1.00 15.23 H new ATOM 0 HD3 LYS A 45 -10.424 5.400 -0.271 1.00 15.23 H new ATOM 0 HE2 LYS A 45 -10.785 5.478 1.948 1.00 52.45 H new ATOM 0 HE3 LYS A 45 -9.174 6.127 2.180 1.00 52.45 H new ATOM 0 HZ1 LYS A 45 -10.848 7.581 3.121 1.00 62.11 H new ATOM 0 HZ2 LYS A 45 -10.056 8.363 1.839 1.00 62.11 H new ATOM 0 HZ3 LYS A 45 -11.617 7.734 1.615 1.00 62.11 H new ATOM 725 N GLU A 46 -4.557 8.637 0.174 1.00 23.51 N ATOM 726 CA GLU A 46 -3.664 9.657 0.711 1.00 61.21 C ATOM 727 C GLU A 46 -2.895 10.352 -0.410 1.00 35.54 C ATOM 728 O GLU A 46 -2.619 11.549 -0.338 1.00 4.31 O ATOM 729 CB GLU A 46 -2.683 9.035 1.707 1.00 33.13 C ATOM 730 CG GLU A 46 -3.313 8.689 3.046 1.00 11.42 C ATOM 731 CD GLU A 46 -2.691 9.454 4.198 1.00 2.03 C ATOM 732 OE1 GLU A 46 -3.432 10.171 4.903 1.00 71.11 O ATOM 733 OE2 GLU A 46 -1.463 9.336 4.395 1.00 14.13 O ATOM 0 H GLU A 46 -4.183 7.689 0.207 1.00 23.51 H new ATOM 0 HA GLU A 46 -4.272 10.400 1.227 1.00 61.21 H new ATOM 0 HB2 GLU A 46 -2.259 8.131 1.270 1.00 33.13 H new ATOM 0 HB3 GLU A 46 -1.857 9.727 1.871 1.00 33.13 H new ATOM 0 HG2 GLU A 46 -4.381 8.903 3.007 1.00 11.42 H new ATOM 0 HG3 GLU A 46 -3.209 7.619 3.227 1.00 11.42 H new ATOM 740 N HIS A 47 -2.553 9.591 -1.445 1.00 32.35 N ATOM 741 CA HIS A 47 -1.817 10.132 -2.581 1.00 5.30 C ATOM 742 C HIS A 47 -2.765 10.785 -3.582 1.00 70.22 C ATOM 743 O HIS A 47 -2.505 11.883 -4.074 1.00 43.10 O ATOM 744 CB HIS A 47 -1.012 9.028 -3.268 1.00 34.14 C ATOM 745 CG HIS A 47 0.187 9.533 -4.009 1.00 20.21 C ATOM 746 ND1 HIS A 47 1.434 8.954 -3.905 1.00 44.23 N ATOM 747 CD2 HIS A 47 0.324 10.568 -4.870 1.00 64.13 C ATOM 748 CE1 HIS A 47 2.287 9.613 -4.670 1.00 25.55 C ATOM 749 NE2 HIS A 47 1.639 10.596 -5.266 1.00 51.24 N ATOM 0 H HIS A 47 -2.774 8.598 -1.520 1.00 32.35 H new ATOM 0 HA HIS A 47 -1.131 10.892 -2.208 1.00 5.30 H new ATOM 0 HB2 HIS A 47 -0.688 8.306 -2.518 1.00 34.14 H new ATOM 0 HB3 HIS A 47 -1.661 8.496 -3.963 1.00 34.14 H new ATOM 0 HD2 HIS A 47 -0.455 11.246 -5.187 1.00 64.13 H new ATOM 0 HE1 HIS A 47 3.336 9.386 -4.787 1.00 25.55 H new ATOM 0 HE2 HIS A 47 2.048 11.268 -5.915 1.00 51.24 H new ATOM 757 N TYR A 48 -3.865 10.101 -3.880 1.00 5.42 N ATOM 758 CA TYR A 48 -4.850 10.613 -4.825 1.00 11.13 C ATOM 759 C TYR A 48 -5.318 12.008 -4.422 1.00 11.21 C ATOM 760 O TYR A 48 -5.787 12.782 -5.256 1.00 34.50 O ATOM 761 CB TYR A 48 -6.048 9.665 -4.908 1.00 1.42 C ATOM 762 CG TYR A 48 -5.838 8.506 -5.856 1.00 14.41 C ATOM 763 CD1 TYR A 48 -4.559 8.064 -6.171 1.00 75.13 C ATOM 764 CD2 TYR A 48 -6.919 7.854 -6.437 1.00 42.41 C ATOM 765 CE1 TYR A 48 -4.363 7.006 -7.038 1.00 30.14 C ATOM 766 CE2 TYR A 48 -6.732 6.795 -7.303 1.00 60.33 C ATOM 767 CZ TYR A 48 -5.452 6.374 -7.601 1.00 14.25 C ATOM 768 OH TYR A 48 -5.262 5.320 -8.464 1.00 20.20 O ATOM 0 H TYR A 48 -4.096 9.191 -3.481 1.00 5.42 H new ATOM 0 HA TYR A 48 -4.377 10.677 -5.805 1.00 11.13 H new ATOM 0 HB2 TYR A 48 -6.262 9.275 -3.913 1.00 1.42 H new ATOM 0 HB3 TYR A 48 -6.925 10.229 -5.225 1.00 1.42 H new ATOM 0 HD1 TYR A 48 -3.704 8.555 -5.731 1.00 75.13 H new ATOM 0 HD2 TYR A 48 -7.922 8.181 -6.207 1.00 42.41 H new ATOM 0 HE1 TYR A 48 -3.362 6.676 -7.274 1.00 30.14 H new ATOM 0 HE2 TYR A 48 -7.583 6.299 -7.745 1.00 60.33 H new ATOM 0 HH TYR A 48 -6.131 4.987 -8.770 1.00 20.20 H new ATOM 778 N GLU A 49 -5.185 12.322 -3.137 1.00 34.32 N ATOM 779 CA GLU A 49 -5.595 13.623 -2.623 1.00 3.34 C ATOM 780 C GLU A 49 -4.754 14.739 -3.236 1.00 2.43 C ATOM 781 O GLU A 49 -5.126 15.912 -3.186 1.00 72.15 O ATOM 782 CB GLU A 49 -5.472 13.656 -1.098 1.00 24.22 C ATOM 783 CG GLU A 49 -6.808 13.752 -0.381 1.00 61.12 C ATOM 784 CD GLU A 49 -6.664 13.718 1.128 1.00 13.10 C ATOM 785 OE1 GLU A 49 -6.430 12.621 1.677 1.00 71.24 O ATOM 786 OE2 GLU A 49 -6.786 14.788 1.760 1.00 33.13 O ATOM 0 H GLU A 49 -4.797 11.693 -2.434 1.00 34.32 H new ATOM 0 HA GLU A 49 -6.637 13.782 -2.900 1.00 3.34 H new ATOM 0 HB2 GLU A 49 -4.954 12.757 -0.764 1.00 24.22 H new ATOM 0 HB3 GLU A 49 -4.853 14.506 -0.810 1.00 24.22 H new ATOM 0 HG2 GLU A 49 -7.308 14.675 -0.674 1.00 61.12 H new ATOM 0 HG3 GLU A 49 -7.447 12.929 -0.700 1.00 61.12 H new ATOM 793 N LYS A 50 -3.617 14.366 -3.813 1.00 4.32 N ATOM 794 CA LYS A 50 -2.721 15.333 -4.437 1.00 14.53 C ATOM 795 C LYS A 50 -3.147 15.621 -5.873 1.00 0.31 C ATOM 796 O LYS A 50 -2.807 16.663 -6.435 1.00 15.05 O ATOM 797 CB LYS A 50 -1.282 14.815 -4.414 1.00 43.13 C ATOM 798 CG LYS A 50 -0.265 15.862 -3.993 1.00 22.30 C ATOM 799 CD LYS A 50 1.040 15.224 -3.546 1.00 34.53 C ATOM 800 CE LYS A 50 1.530 15.817 -2.234 1.00 52.51 C ATOM 801 NZ LYS A 50 2.369 17.028 -2.453 1.00 0.03 N ATOM 0 H LYS A 50 -3.294 13.400 -3.862 1.00 4.32 H new ATOM 0 HA LYS A 50 -2.775 16.261 -3.868 1.00 14.53 H new ATOM 0 HB2 LYS A 50 -1.221 13.967 -3.732 1.00 43.13 H new ATOM 0 HB3 LYS A 50 -1.022 14.446 -5.406 1.00 43.13 H new ATOM 0 HG2 LYS A 50 -0.073 16.540 -4.825 1.00 22.30 H new ATOM 0 HG3 LYS A 50 -0.675 16.462 -3.181 1.00 22.30 H new ATOM 0 HD2 LYS A 50 0.900 14.149 -3.431 1.00 34.53 H new ATOM 0 HD3 LYS A 50 1.798 15.366 -4.316 1.00 34.53 H new ATOM 0 HE2 LYS A 50 0.674 16.076 -1.610 1.00 52.51 H new ATOM 0 HE3 LYS A 50 2.107 15.069 -1.690 1.00 52.51 H new ATOM 0 HZ1 LYS A 50 2.684 17.403 -1.535 1.00 0.03 H new ATOM 0 HZ2 LYS A 50 3.199 16.776 -3.027 1.00 0.03 H new ATOM 0 HZ3 LYS A 50 1.811 17.752 -2.950 1.00 0.03 H new ATOM 815 N PHE A 51 -3.893 14.693 -6.462 1.00 31.55 N ATOM 816 CA PHE A 51 -4.366 14.847 -7.832 1.00 43.14 C ATOM 817 C PHE A 51 -5.618 15.718 -7.881 1.00 62.22 C ATOM 818 O PHE A 51 -5.840 16.449 -8.846 1.00 31.04 O ATOM 819 CB PHE A 51 -4.658 13.479 -8.451 1.00 31.50 C ATOM 820 CG PHE A 51 -3.837 13.186 -9.674 1.00 70.31 C ATOM 821 CD1 PHE A 51 -4.141 13.781 -10.888 1.00 33.13 C ATOM 822 CD2 PHE A 51 -2.761 12.315 -9.610 1.00 72.23 C ATOM 823 CE1 PHE A 51 -3.388 13.514 -12.015 1.00 65.02 C ATOM 824 CE2 PHE A 51 -2.004 12.044 -10.734 1.00 43.42 C ATOM 825 CZ PHE A 51 -2.318 12.644 -11.938 1.00 60.34 C ATOM 0 H PHE A 51 -4.183 13.825 -6.011 1.00 31.55 H new ATOM 0 HA PHE A 51 -3.581 15.338 -8.407 1.00 43.14 H new ATOM 0 HB2 PHE A 51 -4.474 12.705 -7.706 1.00 31.50 H new ATOM 0 HB3 PHE A 51 -5.715 13.425 -8.712 1.00 31.50 H new ATOM 0 HD1 PHE A 51 -4.977 14.462 -10.954 1.00 33.13 H new ATOM 0 HD2 PHE A 51 -2.511 11.843 -8.671 1.00 72.23 H new ATOM 0 HE1 PHE A 51 -3.636 13.985 -12.955 1.00 65.02 H new ATOM 0 HE2 PHE A 51 -1.168 11.364 -10.671 1.00 43.42 H new ATOM 0 HZ PHE A 51 -1.728 12.433 -12.818 1.00 60.34 H new ATOM 835 N GLU A 52 -6.432 15.632 -6.834 1.00 11.22 N ATOM 836 CA GLU A 52 -7.662 16.411 -6.758 1.00 55.10 C ATOM 837 C GLU A 52 -7.357 17.902 -6.650 1.00 3.21 C ATOM 838 O GLU A 52 -8.122 18.741 -7.126 1.00 42.13 O ATOM 839 CB GLU A 52 -8.503 15.963 -5.560 1.00 43.52 C ATOM 840 CG GLU A 52 -7.765 16.047 -4.234 1.00 54.12 C ATOM 841 CD GLU A 52 -8.697 15.955 -3.042 1.00 14.13 C ATOM 842 OE1 GLU A 52 -8.510 16.732 -2.082 1.00 11.11 O ATOM 843 OE2 GLU A 52 -9.613 15.107 -3.068 1.00 32.23 O ATOM 0 H GLU A 52 -6.262 15.031 -6.027 1.00 11.22 H new ATOM 0 HA GLU A 52 -8.227 16.239 -7.674 1.00 55.10 H new ATOM 0 HB2 GLU A 52 -9.401 16.579 -5.506 1.00 43.52 H new ATOM 0 HB3 GLU A 52 -8.830 14.936 -5.720 1.00 43.52 H new ATOM 0 HG2 GLU A 52 -7.031 15.243 -4.179 1.00 54.12 H new ATOM 0 HG3 GLU A 52 -7.214 16.986 -4.188 1.00 54.12 H new ATOM 850 N LYS A 53 -6.233 18.225 -6.019 1.00 44.44 N ATOM 851 CA LYS A 53 -5.823 19.614 -5.848 1.00 11.21 C ATOM 852 C LYS A 53 -5.083 20.120 -7.082 1.00 73.33 C ATOM 853 O LYS A 53 -5.050 21.321 -7.349 1.00 34.40 O ATOM 854 CB LYS A 53 -4.931 19.756 -4.612 1.00 73.43 C ATOM 855 CG LYS A 53 -5.532 20.629 -3.525 1.00 55.40 C ATOM 856 CD LYS A 53 -4.582 20.791 -2.350 1.00 73.23 C ATOM 857 CE LYS A 53 -5.220 20.326 -1.050 1.00 3.01 C ATOM 858 NZ LYS A 53 -6.313 21.237 -0.611 1.00 42.33 N ATOM 0 H LYS A 53 -5.589 17.543 -5.617 1.00 44.44 H new ATOM 0 HA LYS A 53 -6.721 20.217 -5.712 1.00 11.21 H new ATOM 0 HB2 LYS A 53 -4.732 18.766 -4.202 1.00 73.43 H new ATOM 0 HB3 LYS A 53 -3.971 20.175 -4.913 1.00 73.43 H new ATOM 0 HG2 LYS A 53 -5.774 21.609 -3.936 1.00 55.40 H new ATOM 0 HG3 LYS A 53 -6.467 20.189 -3.180 1.00 55.40 H new ATOM 0 HD2 LYS A 53 -3.672 20.220 -2.535 1.00 73.23 H new ATOM 0 HD3 LYS A 53 -4.289 21.837 -2.259 1.00 73.23 H new ATOM 0 HE2 LYS A 53 -5.617 19.319 -1.180 1.00 3.01 H new ATOM 0 HE3 LYS A 53 -4.459 20.271 -0.272 1.00 3.01 H new ATOM 0 HZ1 LYS A 53 -6.722 20.885 0.278 1.00 42.33 H new ATOM 0 HZ2 LYS A 53 -5.930 22.192 -0.462 1.00 42.33 H new ATOM 0 HZ3 LYS A 53 -7.052 21.270 -1.342 1.00 42.33 H new ATOM 872 N MET A 54 -4.492 19.195 -7.832 1.00 54.34 N ATOM 873 CA MET A 54 -3.756 19.548 -9.040 1.00 44.33 C ATOM 874 C MET A 54 -4.679 19.567 -10.254 1.00 61.14 C ATOM 875 O MET A 54 -4.381 20.208 -11.262 1.00 41.53 O ATOM 876 CB MET A 54 -2.610 18.561 -9.271 1.00 41.14 C ATOM 877 CG MET A 54 -1.258 19.231 -9.457 1.00 13.32 C ATOM 878 SD MET A 54 0.084 18.316 -8.675 1.00 61.31 S ATOM 879 CE MET A 54 1.385 19.547 -8.686 1.00 61.33 C ATOM 0 H MET A 54 -4.509 18.196 -7.624 1.00 54.34 H new ATOM 0 HA MET A 54 -3.343 20.548 -8.905 1.00 44.33 H new ATOM 0 HB2 MET A 54 -2.554 17.877 -8.424 1.00 41.14 H new ATOM 0 HB3 MET A 54 -2.832 17.959 -10.152 1.00 41.14 H new ATOM 0 HG2 MET A 54 -1.051 19.333 -10.522 1.00 13.32 H new ATOM 0 HG3 MET A 54 -1.296 20.238 -9.042 1.00 13.32 H new ATOM 0 HE1 MET A 54 2.284 19.130 -8.233 1.00 61.33 H new ATOM 0 HE2 MET A 54 1.599 19.841 -9.714 1.00 61.33 H new ATOM 0 HE3 MET A 54 1.064 20.420 -8.118 1.00 61.33 H new ATOM 889 N ILE A 55 -5.799 18.860 -10.151 1.00 71.11 N ATOM 890 CA ILE A 55 -6.765 18.797 -11.241 1.00 32.33 C ATOM 891 C ILE A 55 -7.687 20.012 -11.229 1.00 62.54 C ATOM 892 O ILE A 55 -7.974 20.594 -12.275 1.00 2.13 O ATOM 893 CB ILE A 55 -7.619 17.518 -11.162 1.00 74.43 C ATOM 894 CG1 ILE A 55 -8.565 17.435 -12.363 1.00 25.13 C ATOM 895 CG2 ILE A 55 -8.405 17.484 -9.860 1.00 3.24 C ATOM 896 CD1 ILE A 55 -9.455 16.212 -12.348 1.00 0.24 C ATOM 0 H ILE A 55 -6.060 18.323 -9.324 1.00 71.11 H new ATOM 0 HA ILE A 55 -6.194 18.786 -12.169 1.00 32.33 H new ATOM 0 HB ILE A 55 -6.955 16.654 -11.185 1.00 74.43 H new ATOM 0 HG12 ILE A 55 -9.189 18.328 -12.386 1.00 25.13 H new ATOM 0 HG13 ILE A 55 -7.976 17.434 -13.280 1.00 25.13 H new ATOM 0 HG21 ILE A 55 -9.003 16.574 -9.820 1.00 3.24 H new ATOM 0 HG22 ILE A 55 -7.714 17.501 -9.017 1.00 3.24 H new ATOM 0 HG23 ILE A 55 -9.062 18.352 -9.809 1.00 3.24 H new ATOM 0 HD11 ILE A 55 -10.098 16.219 -13.228 1.00 0.24 H new ATOM 0 HD12 ILE A 55 -8.838 15.313 -12.356 1.00 0.24 H new ATOM 0 HD13 ILE A 55 -10.071 16.221 -11.449 1.00 0.24 H new ATOM 908 N GLN A 56 -8.145 20.388 -10.040 1.00 54.42 N ATOM 909 CA GLN A 56 -9.034 21.535 -9.893 1.00 41.21 C ATOM 910 C GLN A 56 -8.244 22.840 -9.896 1.00 22.33 C ATOM 911 O GLN A 56 -8.818 23.923 -9.997 1.00 50.21 O ATOM 912 CB GLN A 56 -9.843 21.418 -8.600 1.00 61.22 C ATOM 913 CG GLN A 56 -11.156 20.671 -8.770 1.00 21.31 C ATOM 914 CD GLN A 56 -11.861 20.422 -7.451 1.00 2.30 C ATOM 915 OE1 GLN A 56 -11.410 20.875 -6.398 1.00 53.12 O ATOM 916 NE2 GLN A 56 -12.974 19.699 -7.501 1.00 44.50 N ATOM 0 H GLN A 56 -7.916 19.916 -9.165 1.00 54.42 H new ATOM 0 HA GLN A 56 -9.718 21.543 -10.742 1.00 41.21 H new ATOM 0 HB2 GLN A 56 -9.240 20.909 -7.848 1.00 61.22 H new ATOM 0 HB3 GLN A 56 -10.050 22.418 -8.219 1.00 61.22 H new ATOM 0 HG2 GLN A 56 -11.812 21.243 -9.426 1.00 21.31 H new ATOM 0 HG3 GLN A 56 -10.966 19.717 -9.262 1.00 21.31 H new ATOM 0 HE21 GLN A 56 -13.311 19.344 -8.396 1.00 44.50 H new ATOM 0 HE22 GLN A 56 -13.491 19.499 -6.645 1.00 44.50 H new ATOM 925 N GLU A 57 -6.924 22.727 -9.783 1.00 60.11 N ATOM 926 CA GLU A 57 -6.056 23.899 -9.771 1.00 70.53 C ATOM 927 C GLU A 57 -5.990 24.541 -11.154 1.00 61.51 C ATOM 928 O GLU A 57 -6.112 25.758 -11.292 1.00 51.11 O ATOM 929 CB GLU A 57 -4.649 23.514 -9.308 1.00 14.14 C ATOM 930 CG GLU A 57 -4.296 24.047 -7.929 1.00 50.13 C ATOM 931 CD GLU A 57 -3.661 25.423 -7.981 1.00 54.30 C ATOM 932 OE1 GLU A 57 -4.402 26.411 -8.170 1.00 73.24 O ATOM 933 OE2 GLU A 57 -2.425 25.513 -7.833 1.00 1.14 O ATOM 0 H GLU A 57 -6.433 21.837 -9.699 1.00 60.11 H new ATOM 0 HA GLU A 57 -6.475 24.623 -9.073 1.00 70.53 H new ATOM 0 HB2 GLU A 57 -4.562 22.427 -9.302 1.00 14.14 H new ATOM 0 HB3 GLU A 57 -3.923 23.888 -10.030 1.00 14.14 H new ATOM 0 HG2 GLU A 57 -5.198 24.090 -7.318 1.00 50.13 H new ATOM 0 HG3 GLU A 57 -3.612 23.354 -7.440 1.00 50.13 H new ATOM 940 N HIS A 58 -5.795 23.713 -12.176 1.00 20.33 N ATOM 941 CA HIS A 58 -5.712 24.199 -13.549 1.00 34.35 C ATOM 942 C HIS A 58 -5.275 23.084 -14.494 1.00 41.10 C ATOM 943 O HIS A 58 -4.371 23.266 -15.310 1.00 50.44 O ATOM 944 CB HIS A 58 -4.736 25.372 -13.639 1.00 13.14 C ATOM 945 CG HIS A 58 -3.490 25.178 -12.830 1.00 54.33 C ATOM 946 ND1 HIS A 58 -2.854 26.208 -12.170 1.00 44.03 N ATOM 947 CD2 HIS A 58 -2.764 24.065 -12.576 1.00 34.50 C ATOM 948 CE1 HIS A 58 -1.789 25.736 -11.547 1.00 1.45 C ATOM 949 NE2 HIS A 58 -1.712 24.438 -11.776 1.00 74.03 N ATOM 0 H HIS A 58 -5.692 22.703 -12.079 1.00 20.33 H new ATOM 0 HA HIS A 58 -6.704 24.538 -13.849 1.00 34.35 H new ATOM 0 HB2 HIS A 58 -4.461 25.526 -14.683 1.00 13.14 H new ATOM 0 HB3 HIS A 58 -5.239 26.279 -13.304 1.00 13.14 H new ATOM 0 HD2 HIS A 58 -2.973 23.068 -12.936 1.00 34.50 H new ATOM 0 HE1 HIS A 58 -1.098 26.314 -10.951 1.00 1.45 H new ATOM 0 HE2 HIS A 58 -0.989 23.814 -11.417 1.00 74.03 H new ATOM 957 N THR A 59 -5.922 21.928 -14.378 1.00 45.21 N ATOM 958 CA THR A 59 -5.598 20.784 -15.220 1.00 72.35 C ATOM 959 C THR A 59 -6.363 20.837 -16.538 1.00 42.51 C ATOM 960 O THR A 59 -5.875 20.375 -17.569 1.00 45.24 O ATOM 961 CB THR A 59 -5.916 19.455 -14.509 1.00 74.02 C ATOM 962 OG1 THR A 59 -4.757 18.980 -13.817 1.00 4.03 O ATOM 963 CG2 THR A 59 -6.383 18.405 -15.507 1.00 1.43 C ATOM 0 H THR A 59 -6.673 21.760 -13.709 1.00 45.21 H new ATOM 0 HA THR A 59 -4.528 20.833 -15.421 1.00 72.35 H new ATOM 0 HB THR A 59 -6.718 19.635 -13.793 1.00 74.02 H new ATOM 0 HG1 THR A 59 -4.627 19.503 -12.998 1.00 4.03 H new ATOM 0 HG21 THR A 59 -6.602 17.475 -14.982 1.00 1.43 H new ATOM 0 HG22 THR A 59 -7.283 18.757 -16.011 1.00 1.43 H new ATOM 0 HG23 THR A 59 -5.599 18.230 -16.244 1.00 1.43 H new ATOM 971 N ASP A 60 -7.563 21.405 -16.497 1.00 74.32 N ATOM 972 CA ASP A 60 -8.395 21.521 -17.689 1.00 73.54 C ATOM 973 C ASP A 60 -7.594 22.085 -18.858 1.00 60.14 C ATOM 974 O ASP A 60 -7.822 21.724 -20.013 1.00 62.03 O ATOM 975 CB ASP A 60 -9.606 22.411 -17.408 1.00 12.33 C ATOM 976 CG ASP A 60 -9.269 23.887 -17.482 1.00 2.53 C ATOM 977 OD1 ASP A 60 -9.420 24.477 -18.572 1.00 54.22 O ATOM 978 OD2 ASP A 60 -8.854 24.453 -16.449 1.00 1.32 O ATOM 0 H ASP A 60 -7.981 21.792 -15.651 1.00 74.32 H new ATOM 0 HA ASP A 60 -8.742 20.523 -17.957 1.00 73.54 H new ATOM 0 HB2 ASP A 60 -10.394 22.185 -18.126 1.00 12.33 H new ATOM 0 HB3 ASP A 60 -10.001 22.181 -16.419 1.00 12.33 H new ATOM 983 N LYS A 61 -6.655 22.974 -18.551 1.00 72.53 N ATOM 984 CA LYS A 61 -5.819 23.589 -19.575 1.00 70.22 C ATOM 985 C LYS A 61 -4.607 22.716 -19.884 1.00 43.23 C ATOM 986 O LYS A 61 -4.117 22.694 -21.014 1.00 34.31 O ATOM 987 CB LYS A 61 -5.360 24.976 -19.122 1.00 4.33 C ATOM 988 CG LYS A 61 -4.481 25.688 -20.136 1.00 72.22 C ATOM 989 CD LYS A 61 -4.464 27.189 -19.903 1.00 41.21 C ATOM 990 CE LYS A 61 -5.715 27.854 -20.457 1.00 20.32 C ATOM 991 NZ LYS A 61 -5.386 29.004 -21.343 1.00 41.40 N ATOM 0 H LYS A 61 -6.454 23.285 -17.600 1.00 72.53 H new ATOM 0 HA LYS A 61 -6.414 23.689 -20.483 1.00 70.22 H new ATOM 0 HB2 LYS A 61 -6.237 25.591 -18.919 1.00 4.33 H new ATOM 0 HB3 LYS A 61 -4.813 24.880 -18.184 1.00 4.33 H new ATOM 0 HG2 LYS A 61 -3.465 25.298 -20.075 1.00 72.22 H new ATOM 0 HG3 LYS A 61 -4.843 25.479 -21.143 1.00 72.22 H new ATOM 0 HD2 LYS A 61 -4.386 27.391 -18.835 1.00 41.21 H new ATOM 0 HD3 LYS A 61 -3.582 27.621 -20.375 1.00 41.21 H new ATOM 0 HE2 LYS A 61 -6.299 27.122 -21.014 1.00 20.32 H new ATOM 0 HE3 LYS A 61 -6.339 28.198 -19.632 1.00 20.32 H new ATOM 0 HZ1 LYS A 61 -6.265 29.430 -21.700 1.00 41.40 H new ATOM 0 HZ2 LYS A 61 -4.851 29.715 -20.805 1.00 41.40 H new ATOM 0 HZ3 LYS A 61 -4.812 28.672 -22.144 1.00 41.40 H new ATOM 1005 N PHE A 62 -4.127 21.998 -18.874 1.00 75.23 N ATOM 1006 CA PHE A 62 -2.972 21.123 -19.039 1.00 35.22 C ATOM 1007 C PHE A 62 -3.351 19.862 -19.810 1.00 31.54 C ATOM 1008 O PHE A 62 -2.797 19.581 -20.872 1.00 34.13 O ATOM 1009 CB PHE A 62 -2.393 20.745 -17.674 1.00 14.43 C ATOM 1010 CG PHE A 62 -0.892 20.723 -17.645 1.00 61.10 C ATOM 1011 CD1 PHE A 62 -0.168 21.904 -17.648 1.00 1.23 C ATOM 1012 CD2 PHE A 62 -0.204 19.520 -17.616 1.00 14.21 C ATOM 1013 CE1 PHE A 62 1.214 21.887 -17.621 1.00 10.10 C ATOM 1014 CE2 PHE A 62 1.177 19.497 -17.589 1.00 22.14 C ATOM 1015 CZ PHE A 62 1.887 20.682 -17.592 1.00 63.44 C ATOM 0 H PHE A 62 -4.520 22.005 -17.933 1.00 75.23 H new ATOM 0 HA PHE A 62 -2.217 21.663 -19.609 1.00 35.22 H new ATOM 0 HB2 PHE A 62 -2.753 21.453 -16.927 1.00 14.43 H new ATOM 0 HB3 PHE A 62 -2.768 19.762 -17.389 1.00 14.43 H new ATOM 0 HD1 PHE A 62 -0.690 22.849 -17.672 1.00 1.23 H new ATOM 0 HD2 PHE A 62 -0.754 18.590 -17.614 1.00 14.21 H new ATOM 0 HE1 PHE A 62 1.766 22.815 -17.623 1.00 10.10 H new ATOM 0 HE2 PHE A 62 1.701 18.553 -17.566 1.00 22.14 H new ATOM 0 HZ PHE A 62 2.967 20.666 -17.572 1.00 63.44 H new ATOM 1025 N ASN A 63 -4.298 19.105 -19.265 1.00 74.34 N ATOM 1026 CA ASN A 63 -4.751 17.872 -19.901 1.00 0.35 C ATOM 1027 C ASN A 63 -5.006 18.089 -21.389 1.00 43.20 C ATOM 1028 O ASN A 63 -4.787 17.194 -22.205 1.00 64.30 O ATOM 1029 CB ASN A 63 -6.024 17.363 -19.223 1.00 34.53 C ATOM 1030 CG ASN A 63 -6.807 16.409 -20.105 1.00 52.41 C ATOM 1031 OD1 ASN A 63 -8.010 16.578 -20.306 1.00 40.12 O ATOM 1032 ND2 ASN A 63 -6.126 15.401 -20.637 1.00 30.15 N ATOM 0 H ASN A 63 -4.766 19.323 -18.386 1.00 74.34 H new ATOM 0 HA ASN A 63 -3.965 17.125 -19.791 1.00 0.35 H new ATOM 0 HB2 ASN A 63 -5.761 16.860 -18.293 1.00 34.53 H new ATOM 0 HB3 ASN A 63 -6.656 18.211 -18.959 1.00 34.53 H new ATOM 0 HD21 ASN A 63 -6.599 14.728 -21.240 1.00 30.15 H new ATOM 0 HD22 ASN A 63 -5.130 15.300 -20.443 1.00 30.15 H new ATOM 1039 N LYS A 64 -5.469 19.285 -21.736 1.00 55.01 N ATOM 1040 CA LYS A 64 -5.753 19.622 -23.126 1.00 42.41 C ATOM 1041 C LYS A 64 -4.492 19.521 -23.978 1.00 42.34 C ATOM 1042 O LYS A 64 -4.528 19.019 -25.102 1.00 22.32 O ATOM 1043 CB LYS A 64 -6.334 21.035 -23.221 1.00 43.03 C ATOM 1044 CG LYS A 64 -7.740 21.077 -23.794 1.00 1.13 C ATOM 1045 CD LYS A 64 -8.740 20.410 -22.865 1.00 14.23 C ATOM 1046 CE LYS A 64 -9.484 19.283 -23.564 1.00 35.22 C ATOM 1047 NZ LYS A 64 -10.564 18.716 -22.708 1.00 44.22 N ATOM 0 H LYS A 64 -5.656 20.038 -21.073 1.00 55.01 H new ATOM 0 HA LYS A 64 -6.485 18.909 -23.505 1.00 42.41 H new ATOM 0 HB2 LYS A 64 -6.342 21.483 -22.227 1.00 43.03 H new ATOM 0 HB3 LYS A 64 -5.679 21.647 -23.841 1.00 43.03 H new ATOM 0 HG2 LYS A 64 -8.034 22.113 -23.964 1.00 1.13 H new ATOM 0 HG3 LYS A 64 -7.754 20.579 -24.763 1.00 1.13 H new ATOM 0 HD2 LYS A 64 -8.220 20.017 -21.991 1.00 14.23 H new ATOM 0 HD3 LYS A 64 -9.454 21.151 -22.505 1.00 14.23 H new ATOM 0 HE2 LYS A 64 -9.915 19.654 -24.494 1.00 35.22 H new ATOM 0 HE3 LYS A 64 -8.781 18.494 -23.831 1.00 35.22 H new ATOM 0 HZ1 LYS A 64 -11.047 17.951 -23.220 1.00 44.22 H new ATOM 0 HZ2 LYS A 64 -10.150 18.339 -21.832 1.00 44.22 H new ATOM 0 HZ3 LYS A 64 -11.249 19.462 -22.474 1.00 44.22 H new ATOM 1061 N LYS A 65 -3.377 20.001 -23.437 1.00 32.31 N ATOM 1062 CA LYS A 65 -2.104 19.962 -24.146 1.00 4.22 C ATOM 1063 C LYS A 65 -1.419 18.612 -23.962 1.00 32.51 C ATOM 1064 O LYS A 65 -0.957 18.003 -24.927 1.00 0.33 O ATOM 1065 CB LYS A 65 -1.186 21.082 -23.650 1.00 14.41 C ATOM 1066 CG LYS A 65 -1.915 22.385 -23.369 1.00 4.40 C ATOM 1067 CD LYS A 65 -2.348 23.070 -24.654 1.00 43.43 C ATOM 1068 CE LYS A 65 -2.090 24.568 -24.602 1.00 3.53 C ATOM 1069 NZ LYS A 65 -2.634 25.267 -25.799 1.00 3.31 N ATOM 0 H LYS A 65 -3.330 20.422 -22.509 1.00 32.31 H new ATOM 0 HA LYS A 65 -2.304 20.107 -25.208 1.00 4.22 H new ATOM 0 HB2 LYS A 65 -0.684 20.753 -22.740 1.00 14.41 H new ATOM 0 HB3 LYS A 65 -0.411 21.262 -24.395 1.00 14.41 H new ATOM 0 HG2 LYS A 65 -2.789 22.187 -22.749 1.00 4.40 H new ATOM 0 HG3 LYS A 65 -1.265 23.051 -22.801 1.00 4.40 H new ATOM 0 HD2 LYS A 65 -1.811 22.636 -25.497 1.00 43.43 H new ATOM 0 HD3 LYS A 65 -3.409 22.888 -24.825 1.00 43.43 H new ATOM 0 HE2 LYS A 65 -2.543 24.983 -23.702 1.00 3.53 H new ATOM 0 HE3 LYS A 65 -1.018 24.749 -24.532 1.00 3.53 H new ATOM 0 HZ1 LYS A 65 -2.438 26.286 -25.725 1.00 3.31 H new ATOM 0 HZ2 LYS A 65 -2.183 24.889 -26.657 1.00 3.31 H new ATOM 0 HZ3 LYS A 65 -3.662 25.115 -25.852 1.00 3.31 H new ATOM 1083 N MET A 66 -1.360 18.148 -22.718 1.00 23.11 N ATOM 1084 CA MET A 66 -0.734 16.867 -22.409 1.00 40.31 C ATOM 1085 C MET A 66 -1.506 15.717 -23.048 1.00 43.10 C ATOM 1086 O MET A 66 -1.021 14.587 -23.102 1.00 32.41 O ATOM 1087 CB MET A 66 -0.656 16.666 -20.895 1.00 30.54 C ATOM 1088 CG MET A 66 0.591 17.265 -20.265 1.00 12.20 C ATOM 1089 SD MET A 66 1.957 16.092 -20.176 1.00 61.13 S ATOM 1090 CE MET A 66 3.356 17.207 -20.096 1.00 44.01 C ATOM 0 H MET A 66 -1.738 18.639 -21.908 1.00 23.11 H new ATOM 0 HA MET A 66 0.276 16.875 -22.819 1.00 40.31 H new ATOM 0 HB2 MET A 66 -1.537 17.111 -20.432 1.00 30.54 H new ATOM 0 HB3 MET A 66 -0.686 15.599 -20.677 1.00 30.54 H new ATOM 0 HG2 MET A 66 0.902 18.136 -20.842 1.00 12.20 H new ATOM 0 HG3 MET A 66 0.353 17.616 -19.261 1.00 12.20 H new ATOM 0 HE1 MET A 66 4.279 16.630 -20.037 1.00 44.01 H new ATOM 0 HE2 MET A 66 3.375 17.831 -20.989 1.00 44.01 H new ATOM 0 HE3 MET A 66 3.267 17.840 -19.213 1.00 44.01 H new ATOM 1100 N ARG A 67 -2.708 16.013 -23.530 1.00 72.14 N ATOM 1101 CA ARG A 67 -3.547 15.003 -24.164 1.00 61.30 C ATOM 1102 C ARG A 67 -2.853 14.409 -25.387 1.00 32.15 C ATOM 1103 O ARG A 67 -3.200 13.319 -25.840 1.00 30.12 O ATOM 1104 CB ARG A 67 -4.892 15.608 -24.571 1.00 64.12 C ATOM 1105 CG ARG A 67 -6.063 15.100 -23.747 1.00 21.24 C ATOM 1106 CD ARG A 67 -7.013 14.261 -24.587 1.00 31.35 C ATOM 1107 NE ARG A 67 -8.150 13.776 -23.808 1.00 3.33 N ATOM 1108 CZ ARG A 67 -9.024 12.884 -24.260 1.00 41.32 C ATOM 1109 NH1 ARG A 67 -8.892 12.382 -25.480 1.00 72.11 N ATOM 1110 NH2 ARG A 67 -10.032 12.493 -23.492 1.00 32.24 N ATOM 0 H ARG A 67 -3.123 16.944 -23.494 1.00 72.14 H new ATOM 0 HA ARG A 67 -3.719 14.205 -23.442 1.00 61.30 H new ATOM 0 HB2 ARG A 67 -4.836 16.693 -24.477 1.00 64.12 H new ATOM 0 HB3 ARG A 67 -5.076 15.388 -25.623 1.00 64.12 H new ATOM 0 HG2 ARG A 67 -5.691 14.505 -22.913 1.00 21.24 H new ATOM 0 HG3 ARG A 67 -6.603 15.945 -23.320 1.00 21.24 H new ATOM 0 HD2 ARG A 67 -7.375 14.855 -25.426 1.00 31.35 H new ATOM 0 HD3 ARG A 67 -6.473 13.412 -25.007 1.00 31.35 H new ATOM 0 HE ARG A 67 -8.280 14.143 -22.865 1.00 3.33 H new ATOM 0 HH11 ARG A 67 -8.118 12.681 -26.073 1.00 72.11 H new ATOM 0 HH12 ARG A 67 -9.564 11.697 -25.825 1.00 72.11 H new ATOM 0 HH21 ARG A 67 -10.137 12.877 -22.553 1.00 32.24 H new ATOM 0 HH22 ARG A 67 -10.703 11.808 -23.840 1.00 32.24 H new ATOM 1124 N GLU A 68 -1.872 15.134 -25.915 1.00 13.44 N ATOM 1125 CA GLU A 68 -1.132 14.679 -27.085 1.00 45.32 C ATOM 1126 C GLU A 68 -0.339 13.414 -26.769 1.00 72.15 C ATOM 1127 O GLU A 68 -0.141 12.560 -27.634 1.00 43.15 O ATOM 1128 CB GLU A 68 -0.186 15.777 -27.576 1.00 42.25 C ATOM 1129 CG GLU A 68 -0.656 16.461 -28.849 1.00 52.30 C ATOM 1130 CD GLU A 68 0.484 17.077 -29.636 1.00 42.30 C ATOM 1131 OE1 GLU A 68 1.633 17.033 -29.148 1.00 10.01 O ATOM 1132 OE2 GLU A 68 0.228 17.604 -30.739 1.00 64.41 O ATOM 0 H GLU A 68 -1.572 16.038 -25.551 1.00 13.44 H new ATOM 0 HA GLU A 68 -1.851 14.450 -27.871 1.00 45.32 H new ATOM 0 HB2 GLU A 68 -0.074 16.525 -26.792 1.00 42.25 H new ATOM 0 HB3 GLU A 68 0.800 15.345 -27.748 1.00 42.25 H new ATOM 0 HG2 GLU A 68 -1.175 15.736 -29.476 1.00 52.30 H new ATOM 0 HG3 GLU A 68 -1.378 17.237 -28.595 1.00 52.30 H new ATOM 1139 N HIS A 69 0.112 13.301 -25.524 1.00 61.43 N ATOM 1140 CA HIS A 69 0.883 12.140 -25.093 1.00 62.12 C ATOM 1141 C HIS A 69 0.019 11.187 -24.273 1.00 15.41 C ATOM 1142 O HIS A 69 0.517 10.218 -23.701 1.00 12.35 O ATOM 1143 CB HIS A 69 2.095 12.582 -24.272 1.00 51.35 C ATOM 1144 CG HIS A 69 3.243 13.058 -25.108 1.00 62.12 C ATOM 1145 ND1 HIS A 69 3.201 14.215 -25.856 1.00 51.45 N ATOM 1146 CD2 HIS A 69 4.471 12.526 -25.310 1.00 63.10 C ATOM 1147 CE1 HIS A 69 4.353 14.374 -26.484 1.00 33.13 C ATOM 1148 NE2 HIS A 69 5.141 13.362 -26.169 1.00 4.34 N ATOM 0 H HIS A 69 -0.043 13.999 -24.796 1.00 61.43 H new ATOM 0 HA HIS A 69 1.228 11.614 -25.983 1.00 62.12 H new ATOM 0 HB2 HIS A 69 1.793 13.381 -23.595 1.00 51.35 H new ATOM 0 HB3 HIS A 69 2.428 11.749 -23.653 1.00 51.35 H new ATOM 0 HD2 HIS A 69 4.853 11.614 -24.876 1.00 63.10 H new ATOM 0 HE1 HIS A 69 4.607 15.192 -27.142 1.00 33.13 H new ATOM 0 HE2 HIS A 69 6.093 13.224 -26.509 1.00 4.34 H new ATOM 1156 N SER A 70 -1.279 11.471 -24.220 1.00 31.21 N ATOM 1157 CA SER A 70 -2.212 10.642 -23.466 1.00 12.03 C ATOM 1158 C SER A 70 -2.196 9.204 -23.975 1.00 63.02 C ATOM 1159 O SER A 70 -2.616 8.282 -23.276 1.00 44.43 O ATOM 1160 CB SER A 70 -3.628 11.213 -23.563 1.00 51.31 C ATOM 1161 OG SER A 70 -4.137 11.094 -24.880 1.00 62.23 O ATOM 0 H SER A 70 -1.708 12.268 -24.690 1.00 31.21 H new ATOM 0 HA SER A 70 -1.898 10.643 -22.422 1.00 12.03 H new ATOM 0 HB2 SER A 70 -4.283 10.688 -22.868 1.00 51.31 H new ATOM 0 HB3 SER A 70 -3.622 12.262 -23.266 1.00 51.31 H new ATOM 0 HG SER A 70 -4.129 11.972 -25.315 1.00 62.23 H new ATOM 1167 N GLU A 71 -1.707 9.022 -25.198 1.00 73.41 N ATOM 1168 CA GLU A 71 -1.637 7.696 -25.802 1.00 3.12 C ATOM 1169 C GLU A 71 -0.666 6.801 -25.037 1.00 61.11 C ATOM 1170 O GLU A 71 -0.954 5.632 -24.780 1.00 24.45 O ATOM 1171 CB GLU A 71 -1.206 7.801 -27.266 1.00 64.32 C ATOM 1172 CG GLU A 71 -2.105 7.034 -28.222 1.00 5.04 C ATOM 1173 CD GLU A 71 -1.391 6.630 -29.497 1.00 43.20 C ATOM 1174 OE1 GLU A 71 -1.876 5.704 -30.180 1.00 23.54 O ATOM 1175 OE2 GLU A 71 -0.348 7.240 -29.812 1.00 63.14 O ATOM 0 H GLU A 71 -1.354 9.775 -25.789 1.00 73.41 H new ATOM 0 HA GLU A 71 -2.630 7.249 -25.754 1.00 3.12 H new ATOM 0 HB2 GLU A 71 -1.192 8.851 -27.557 1.00 64.32 H new ATOM 0 HB3 GLU A 71 -0.186 7.430 -27.363 1.00 64.32 H new ATOM 0 HG2 GLU A 71 -2.482 6.141 -27.723 1.00 5.04 H new ATOM 0 HG3 GLU A 71 -2.970 7.648 -28.473 1.00 5.04 H new ATOM 1182 N HIS A 72 0.486 7.359 -24.677 1.00 71.42 N ATOM 1183 CA HIS A 72 1.500 6.612 -23.942 1.00 21.41 C ATOM 1184 C HIS A 72 1.217 6.643 -22.443 1.00 25.41 C ATOM 1185 O HIS A 72 1.693 5.789 -21.693 1.00 51.24 O ATOM 1186 CB HIS A 72 2.889 7.185 -24.223 1.00 25.33 C ATOM 1187 CG HIS A 72 3.363 6.949 -25.624 1.00 54.11 C ATOM 1188 ND1 HIS A 72 4.261 7.777 -26.264 1.00 75.24 N ATOM 1189 CD2 HIS A 72 3.059 5.971 -26.508 1.00 74.54 C ATOM 1190 CE1 HIS A 72 4.487 7.319 -27.483 1.00 20.45 C ATOM 1191 NE2 HIS A 72 3.770 6.223 -27.655 1.00 60.25 N ATOM 0 H HIS A 72 0.740 8.325 -24.882 1.00 71.42 H new ATOM 0 HA HIS A 72 1.468 5.576 -24.278 1.00 21.41 H new ATOM 0 HB2 HIS A 72 2.877 8.257 -24.028 1.00 25.33 H new ATOM 0 HB3 HIS A 72 3.603 6.743 -23.528 1.00 25.33 H new ATOM 0 HD2 HIS A 72 2.383 5.145 -26.342 1.00 74.54 H new ATOM 0 HE1 HIS A 72 5.146 7.765 -28.214 1.00 20.45 H new ATOM 0 HE2 HIS A 72 3.748 5.656 -28.503 1.00 60.25 H new ATOM 1199 N PHE A 73 0.442 7.632 -22.012 1.00 75.33 N ATOM 1200 CA PHE A 73 0.097 7.775 -20.603 1.00 21.14 C ATOM 1201 C PHE A 73 -0.994 6.785 -20.206 1.00 30.30 C ATOM 1202 O PHE A 73 -0.850 6.040 -19.236 1.00 72.34 O ATOM 1203 CB PHE A 73 -0.365 9.204 -20.311 1.00 52.13 C ATOM 1204 CG PHE A 73 0.732 10.224 -20.424 1.00 71.24 C ATOM 1205 CD1 PHE A 73 1.990 9.968 -19.904 1.00 62.41 C ATOM 1206 CD2 PHE A 73 0.505 11.439 -21.050 1.00 75.25 C ATOM 1207 CE1 PHE A 73 3.002 10.904 -20.007 1.00 21.42 C ATOM 1208 CE2 PHE A 73 1.513 12.378 -21.157 1.00 14.35 C ATOM 1209 CZ PHE A 73 2.762 12.111 -20.633 1.00 25.00 C ATOM 0 H PHE A 73 0.041 8.347 -22.619 1.00 75.33 H new ATOM 0 HA PHE A 73 0.989 7.561 -20.014 1.00 21.14 H new ATOM 0 HB2 PHE A 73 -1.167 9.466 -21.001 1.00 52.13 H new ATOM 0 HB3 PHE A 73 -0.785 9.243 -19.306 1.00 52.13 H new ATOM 0 HD1 PHE A 73 2.183 9.026 -19.412 1.00 62.41 H new ATOM 0 HD2 PHE A 73 -0.471 11.655 -21.459 1.00 75.25 H new ATOM 0 HE1 PHE A 73 3.979 10.691 -19.598 1.00 21.42 H new ATOM 0 HE2 PHE A 73 1.324 13.320 -21.650 1.00 14.35 H new ATOM 0 HZ PHE A 73 3.550 12.845 -20.713 1.00 25.00 H new ATOM 1219 N LYS A 74 -2.086 6.783 -20.963 1.00 32.24 N ATOM 1220 CA LYS A 74 -3.203 5.885 -20.693 1.00 20.03 C ATOM 1221 C LYS A 74 -2.736 4.434 -20.649 1.00 21.40 C ATOM 1222 O LYS A 74 -3.378 3.584 -20.033 1.00 23.45 O ATOM 1223 CB LYS A 74 -4.287 6.051 -21.760 1.00 51.00 C ATOM 1224 CG LYS A 74 -5.413 5.038 -21.646 1.00 63.45 C ATOM 1225 CD LYS A 74 -6.555 5.364 -22.594 1.00 1.42 C ATOM 1226 CE LYS A 74 -7.415 6.499 -22.059 1.00 40.32 C ATOM 1227 NZ LYS A 74 -8.501 6.867 -23.009 1.00 72.12 N ATOM 0 H LYS A 74 -2.221 7.394 -21.769 1.00 32.24 H new ATOM 0 HA LYS A 74 -3.618 6.144 -19.719 1.00 20.03 H new ATOM 0 HB2 LYS A 74 -4.705 7.055 -21.689 1.00 51.00 H new ATOM 0 HB3 LYS A 74 -3.831 5.965 -22.746 1.00 51.00 H new ATOM 0 HG2 LYS A 74 -5.030 4.041 -21.865 1.00 63.45 H new ATOM 0 HG3 LYS A 74 -5.784 5.019 -20.621 1.00 63.45 H new ATOM 0 HD2 LYS A 74 -6.153 5.639 -23.569 1.00 1.42 H new ATOM 0 HD3 LYS A 74 -7.171 4.477 -22.742 1.00 1.42 H new ATOM 0 HE2 LYS A 74 -7.852 6.205 -21.105 1.00 40.32 H new ATOM 0 HE3 LYS A 74 -6.789 7.370 -21.868 1.00 40.32 H new ATOM 0 HZ1 LYS A 74 -9.065 7.644 -22.608 1.00 72.12 H new ATOM 0 HZ2 LYS A 74 -8.084 7.172 -23.912 1.00 72.12 H new ATOM 0 HZ3 LYS A 74 -9.114 6.043 -23.172 1.00 72.12 H new ATOM 1241 N ALA A 75 -1.614 4.158 -21.306 1.00 30.32 N ATOM 1242 CA ALA A 75 -1.060 2.810 -21.338 1.00 64.05 C ATOM 1243 C ALA A 75 -0.202 2.539 -20.107 1.00 12.11 C ATOM 1244 O ALA A 75 -0.122 1.407 -19.630 1.00 64.33 O ATOM 1245 CB ALA A 75 -0.245 2.605 -22.607 1.00 4.21 C ATOM 0 H ALA A 75 -1.071 4.850 -21.823 1.00 30.32 H new ATOM 0 HA ALA A 75 -1.889 2.103 -21.333 1.00 64.05 H new ATOM 0 HB1 ALA A 75 0.163 1.594 -22.618 1.00 4.21 H new ATOM 0 HB2 ALA A 75 -0.885 2.747 -23.478 1.00 4.21 H new ATOM 0 HB3 ALA A 75 0.572 3.326 -22.635 1.00 4.21 H new ATOM 1251 N LYS A 76 0.438 3.585 -19.596 1.00 10.23 N ATOM 1252 CA LYS A 76 1.290 3.461 -18.419 1.00 13.22 C ATOM 1253 C LYS A 76 0.546 2.772 -17.279 1.00 41.11 C ATOM 1254 O LYS A 76 1.158 2.138 -16.419 1.00 71.35 O ATOM 1255 CB LYS A 76 1.773 4.841 -17.966 1.00 60.11 C ATOM 1256 CG LYS A 76 3.043 4.798 -17.134 1.00 33.44 C ATOM 1257 CD LYS A 76 4.237 5.328 -17.910 1.00 14.25 C ATOM 1258 CE LYS A 76 4.530 6.779 -17.558 1.00 73.30 C ATOM 1259 NZ LYS A 76 5.769 7.271 -18.221 1.00 61.51 N ATOM 0 H LYS A 76 0.383 4.529 -19.979 1.00 10.23 H new ATOM 0 HA LYS A 76 2.152 2.851 -18.688 1.00 13.22 H new ATOM 0 HB2 LYS A 76 1.945 5.463 -18.845 1.00 60.11 H new ATOM 0 HB3 LYS A 76 0.985 5.320 -17.386 1.00 60.11 H new ATOM 0 HG2 LYS A 76 2.906 5.389 -16.228 1.00 33.44 H new ATOM 0 HG3 LYS A 76 3.238 3.773 -16.820 1.00 33.44 H new ATOM 0 HD2 LYS A 76 5.113 4.716 -17.695 1.00 14.25 H new ATOM 0 HD3 LYS A 76 4.044 5.244 -18.979 1.00 14.25 H new ATOM 0 HE2 LYS A 76 3.687 7.402 -17.856 1.00 73.30 H new ATOM 0 HE3 LYS A 76 4.633 6.877 -16.477 1.00 73.30 H new ATOM 0 HZ1 LYS A 76 5.934 8.263 -17.956 1.00 61.51 H new ATOM 0 HZ2 LYS A 76 6.578 6.692 -17.918 1.00 61.51 H new ATOM 0 HZ3 LYS A 76 5.661 7.202 -19.253 1.00 61.51 H new ATOM 1273 N PHE A 77 -0.777 2.900 -17.279 1.00 64.21 N ATOM 1274 CA PHE A 77 -1.604 2.289 -16.245 1.00 64.32 C ATOM 1275 C PHE A 77 -1.415 0.775 -16.222 1.00 25.34 C ATOM 1276 O PHE A 77 -1.360 0.162 -15.156 1.00 22.11 O ATOM 1277 CB PHE A 77 -3.078 2.626 -16.476 1.00 11.31 C ATOM 1278 CG PHE A 77 -3.820 2.963 -15.214 1.00 54.14 C ATOM 1279 CD1 PHE A 77 -3.500 2.340 -14.019 1.00 12.10 C ATOM 1280 CD2 PHE A 77 -4.839 3.902 -15.224 1.00 40.51 C ATOM 1281 CE1 PHE A 77 -4.181 2.648 -12.856 1.00 51.02 C ATOM 1282 CE2 PHE A 77 -5.523 4.215 -14.065 1.00 30.25 C ATOM 1283 CZ PHE A 77 -5.195 3.586 -12.879 1.00 64.14 C ATOM 0 H PHE A 77 -1.299 3.421 -17.983 1.00 64.21 H new ATOM 0 HA PHE A 77 -1.293 2.692 -15.281 1.00 64.32 H new ATOM 0 HB2 PHE A 77 -3.146 3.468 -17.164 1.00 11.31 H new ATOM 0 HB3 PHE A 77 -3.565 1.779 -16.959 1.00 11.31 H new ATOM 0 HD1 PHE A 77 -2.709 1.605 -13.996 1.00 12.10 H new ATOM 0 HD2 PHE A 77 -5.102 4.395 -16.148 1.00 40.51 H new ATOM 0 HE1 PHE A 77 -3.921 2.156 -11.931 1.00 51.02 H new ATOM 0 HE2 PHE A 77 -6.313 4.951 -14.086 1.00 30.25 H new ATOM 0 HZ PHE A 77 -5.730 3.827 -11.972 1.00 64.14 H new ATOM 1293 N ALA A 78 -1.316 0.178 -17.405 1.00 50.32 N ATOM 1294 CA ALA A 78 -1.132 -1.263 -17.521 1.00 42.14 C ATOM 1295 C ALA A 78 0.341 -1.640 -17.398 1.00 13.23 C ATOM 1296 O ALA A 78 0.675 -2.715 -16.901 1.00 44.15 O ATOM 1297 CB ALA A 78 -1.697 -1.762 -18.843 1.00 33.54 C ATOM 0 H ALA A 78 -1.360 0.671 -18.297 1.00 50.32 H new ATOM 0 HA ALA A 78 -1.672 -1.740 -16.703 1.00 42.14 H new ATOM 0 HB1 ALA A 78 -1.553 -2.840 -18.917 1.00 33.54 H new ATOM 0 HB2 ALA A 78 -2.762 -1.534 -18.893 1.00 33.54 H new ATOM 0 HB3 ALA A 78 -1.182 -1.270 -19.668 1.00 33.54 H new ATOM 1303 N GLU A 79 1.215 -0.748 -17.853 1.00 24.22 N ATOM 1304 CA GLU A 79 2.652 -0.990 -17.794 1.00 2.32 C ATOM 1305 C GLU A 79 3.191 -0.728 -16.390 1.00 74.11 C ATOM 1306 O GLU A 79 4.257 -1.221 -16.020 1.00 44.51 O ATOM 1307 CB GLU A 79 3.383 -0.104 -18.805 1.00 53.03 C ATOM 1308 CG GLU A 79 4.895 -0.135 -18.661 1.00 71.23 C ATOM 1309 CD GLU A 79 5.449 -1.546 -18.626 1.00 35.54 C ATOM 1310 OE1 GLU A 79 6.462 -1.768 -17.930 1.00 34.24 O ATOM 1311 OE2 GLU A 79 4.870 -2.429 -19.293 1.00 54.43 O ATOM 0 H GLU A 79 0.954 0.147 -18.266 1.00 24.22 H new ATOM 0 HA GLU A 79 2.828 -2.036 -18.043 1.00 2.32 H new ATOM 0 HB2 GLU A 79 3.116 -0.421 -19.813 1.00 53.03 H new ATOM 0 HB3 GLU A 79 3.037 0.923 -18.692 1.00 53.03 H new ATOM 0 HG2 GLU A 79 5.346 0.408 -19.491 1.00 71.23 H new ATOM 0 HG3 GLU A 79 5.180 0.386 -17.747 1.00 71.23 H new ATOM 1318 N LEU A 80 2.446 0.050 -15.613 1.00 11.41 N ATOM 1319 CA LEU A 80 2.847 0.379 -14.249 1.00 64.05 C ATOM 1320 C LEU A 80 3.062 -0.886 -13.425 1.00 73.41 C ATOM 1321 O LEU A 80 4.062 -1.018 -12.719 1.00 22.13 O ATOM 1322 CB LEU A 80 1.790 1.262 -13.584 1.00 62.22 C ATOM 1323 CG LEU A 80 2.273 2.621 -13.077 1.00 23.03 C ATOM 1324 CD1 LEU A 80 3.505 2.456 -12.201 1.00 5.43 C ATOM 1325 CD2 LEU A 80 2.567 3.552 -14.244 1.00 11.32 C ATOM 0 H LEU A 80 1.561 0.465 -15.904 1.00 11.41 H new ATOM 0 HA LEU A 80 3.789 0.925 -14.295 1.00 64.05 H new ATOM 0 HB2 LEU A 80 0.983 1.429 -14.298 1.00 62.22 H new ATOM 0 HB3 LEU A 80 1.364 0.714 -12.744 1.00 62.22 H new ATOM 0 HG LEU A 80 1.481 3.065 -12.475 1.00 23.03 H new ATOM 0 HD11 LEU A 80 3.835 3.434 -11.849 1.00 5.43 H new ATOM 0 HD12 LEU A 80 3.262 1.826 -11.346 1.00 5.43 H new ATOM 0 HD13 LEU A 80 4.303 1.990 -12.779 1.00 5.43 H new ATOM 0 HD21 LEU A 80 2.910 4.515 -13.864 1.00 11.32 H new ATOM 0 HD22 LEU A 80 3.342 3.114 -14.873 1.00 11.32 H new ATOM 0 HD23 LEU A 80 1.661 3.696 -14.832 1.00 11.32 H new ATOM 1337 N LEU A 81 2.117 -1.816 -13.521 1.00 44.32 N ATOM 1338 CA LEU A 81 2.203 -3.073 -12.786 1.00 44.20 C ATOM 1339 C LEU A 81 3.532 -3.771 -13.055 1.00 64.35 C ATOM 1340 O LEU A 81 4.094 -4.419 -12.172 1.00 51.44 O ATOM 1341 CB LEU A 81 1.043 -3.992 -13.172 1.00 25.42 C ATOM 1342 CG LEU A 81 1.120 -4.622 -14.563 1.00 25.51 C ATOM 1343 CD1 LEU A 81 1.860 -5.950 -14.507 1.00 60.23 C ATOM 1344 CD2 LEU A 81 -0.275 -4.811 -15.141 1.00 45.30 C ATOM 0 H LEU A 81 1.283 -1.723 -14.101 1.00 44.32 H new ATOM 0 HA LEU A 81 2.141 -2.848 -11.721 1.00 44.20 H new ATOM 0 HB2 LEU A 81 0.980 -4.793 -12.435 1.00 25.42 H new ATOM 0 HB3 LEU A 81 0.116 -3.422 -13.104 1.00 25.42 H new ATOM 0 HG LEU A 81 1.674 -3.948 -15.216 1.00 25.51 H new ATOM 0 HD11 LEU A 81 1.905 -6.384 -15.506 1.00 60.23 H new ATOM 0 HD12 LEU A 81 2.872 -5.787 -14.136 1.00 60.23 H new ATOM 0 HD13 LEU A 81 1.334 -6.632 -13.839 1.00 60.23 H new ATOM 0 HD21 LEU A 81 -0.201 -5.260 -16.131 1.00 45.30 H new ATOM 0 HD22 LEU A 81 -0.854 -5.465 -14.488 1.00 45.30 H new ATOM 0 HD23 LEU A 81 -0.771 -3.843 -15.218 1.00 45.30 H new ATOM 1356 N GLU A 82 4.030 -3.633 -14.280 1.00 60.35 N ATOM 1357 CA GLU A 82 5.294 -4.250 -14.665 1.00 20.52 C ATOM 1358 C GLU A 82 6.472 -3.351 -14.301 1.00 54.41 C ATOM 1359 O GLU A 82 7.556 -3.833 -13.975 1.00 12.43 O ATOM 1360 CB GLU A 82 5.308 -4.545 -16.166 1.00 54.12 C ATOM 1361 CG GLU A 82 6.442 -5.459 -16.597 1.00 22.21 C ATOM 1362 CD GLU A 82 6.741 -5.359 -18.080 1.00 61.12 C ATOM 1363 OE1 GLU A 82 7.604 -4.538 -18.457 1.00 32.23 O ATOM 1364 OE2 GLU A 82 6.113 -6.101 -18.864 1.00 11.30 O ATOM 0 H GLU A 82 3.578 -3.100 -15.022 1.00 60.35 H new ATOM 0 HA GLU A 82 5.392 -5.187 -14.117 1.00 20.52 H new ATOM 0 HB2 GLU A 82 4.359 -5.001 -16.447 1.00 54.12 H new ATOM 0 HB3 GLU A 82 5.384 -3.604 -16.712 1.00 54.12 H new ATOM 0 HG2 GLU A 82 7.340 -5.209 -16.032 1.00 22.21 H new ATOM 0 HG3 GLU A 82 6.187 -6.490 -16.350 1.00 22.21 H new ATOM 1371 N GLN A 83 6.249 -2.042 -14.361 1.00 0.30 N ATOM 1372 CA GLN A 83 7.292 -1.074 -14.039 1.00 73.54 C ATOM 1373 C GLN A 83 7.887 -1.353 -12.663 1.00 72.01 C ATOM 1374 O GLN A 83 9.074 -1.651 -12.539 1.00 45.35 O ATOM 1375 CB GLN A 83 6.730 0.348 -14.087 1.00 20.50 C ATOM 1376 CG GLN A 83 7.793 1.426 -13.960 1.00 5.32 C ATOM 1377 CD GLN A 83 7.519 2.384 -12.817 1.00 43.33 C ATOM 1378 OE1 GLN A 83 7.569 3.603 -12.988 1.00 74.32 O ATOM 1379 NE2 GLN A 83 7.228 1.838 -11.643 1.00 32.51 N ATOM 0 H GLN A 83 5.357 -1.627 -14.629 1.00 0.30 H new ATOM 0 HA GLN A 83 8.083 -1.169 -14.783 1.00 73.54 H new ATOM 0 HB2 GLN A 83 6.194 0.487 -15.026 1.00 20.50 H new ATOM 0 HB3 GLN A 83 6.003 0.470 -13.284 1.00 20.50 H new ATOM 0 HG2 GLN A 83 8.765 0.956 -13.810 1.00 5.32 H new ATOM 0 HG3 GLN A 83 7.850 1.986 -14.893 1.00 5.32 H new ATOM 0 HE21 GLN A 83 7.197 0.823 -11.546 1.00 32.51 H new ATOM 0 HE22 GLN A 83 7.035 2.433 -10.838 1.00 32.51 H new ATOM 1388 N GLN A 84 7.054 -1.254 -11.632 1.00 55.24 N ATOM 1389 CA GLN A 84 7.499 -1.494 -10.265 1.00 33.21 C ATOM 1390 C GLN A 84 7.892 -2.955 -10.069 1.00 45.44 C ATOM 1391 O GLN A 84 8.994 -3.256 -9.608 1.00 54.41 O ATOM 1392 CB GLN A 84 6.398 -1.113 -9.273 1.00 71.34 C ATOM 1393 CG GLN A 84 6.927 -0.616 -7.938 1.00 23.21 C ATOM 1394 CD GLN A 84 7.958 -1.550 -7.335 1.00 5.41 C ATOM 1395 OE1 GLN A 84 7.629 -2.642 -6.873 1.00 33.31 O ATOM 1396 NE2 GLN A 84 9.216 -1.123 -7.336 1.00 60.13 N ATOM 0 H GLN A 84 6.068 -1.009 -11.718 1.00 55.24 H new ATOM 0 HA GLN A 84 8.375 -0.873 -10.081 1.00 33.21 H new ATOM 0 HB2 GLN A 84 5.772 -0.339 -9.717 1.00 71.34 H new ATOM 0 HB3 GLN A 84 5.759 -1.980 -9.101 1.00 71.34 H new ATOM 0 HG2 GLN A 84 7.370 0.371 -8.072 1.00 23.21 H new ATOM 0 HG3 GLN A 84 6.096 -0.500 -7.242 1.00 23.21 H new ATOM 0 HE21 GLN A 84 9.444 -0.210 -7.730 1.00 60.13 H new ATOM 0 HE22 GLN A 84 9.953 -1.708 -6.943 1.00 60.13 H new ATOM 1405 N LYS A 85 6.986 -3.859 -10.423 1.00 34.12 N ATOM 1406 CA LYS A 85 7.237 -5.289 -10.288 1.00 3.14 C ATOM 1407 C LYS A 85 8.595 -5.660 -10.875 1.00 22.21 C ATOM 1408 O LYS A 85 9.270 -6.562 -10.380 1.00 3.52 O ATOM 1409 CB LYS A 85 6.133 -6.090 -10.982 1.00 3.24 C ATOM 1410 CG LYS A 85 6.249 -7.590 -10.775 1.00 72.20 C ATOM 1411 CD LYS A 85 4.924 -8.197 -10.344 1.00 24.34 C ATOM 1412 CE LYS A 85 5.088 -9.650 -9.924 1.00 14.05 C ATOM 1413 NZ LYS A 85 4.305 -10.570 -10.794 1.00 62.42 N ATOM 0 H LYS A 85 6.070 -3.627 -10.806 1.00 34.12 H new ATOM 0 HA LYS A 85 7.241 -5.533 -9.226 1.00 3.14 H new ATOM 0 HB2 LYS A 85 5.164 -5.754 -10.612 1.00 3.24 H new ATOM 0 HB3 LYS A 85 6.157 -5.876 -12.051 1.00 3.24 H new ATOM 0 HG2 LYS A 85 6.583 -8.061 -11.700 1.00 72.20 H new ATOM 0 HG3 LYS A 85 7.008 -7.797 -10.020 1.00 72.20 H new ATOM 0 HD2 LYS A 85 4.511 -7.622 -9.515 1.00 24.34 H new ATOM 0 HD3 LYS A 85 4.209 -8.132 -11.164 1.00 24.34 H new ATOM 0 HE2 LYS A 85 6.143 -9.923 -9.963 1.00 14.05 H new ATOM 0 HE3 LYS A 85 4.767 -9.767 -8.889 1.00 14.05 H new ATOM 0 HZ1 LYS A 85 4.443 -11.550 -10.476 1.00 62.42 H new ATOM 0 HZ2 LYS A 85 3.296 -10.326 -10.737 1.00 62.42 H new ATOM 0 HZ3 LYS A 85 4.629 -10.477 -11.778 1.00 62.42 H new ATOM 1427 N ASN A 86 8.989 -4.958 -11.932 1.00 64.45 N ATOM 1428 CA ASN A 86 10.268 -5.214 -12.586 1.00 74.34 C ATOM 1429 C ASN A 86 11.430 -4.900 -11.650 1.00 23.32 C ATOM 1430 O ASN A 86 12.393 -5.662 -11.562 1.00 33.15 O ATOM 1431 CB ASN A 86 10.387 -4.380 -13.863 1.00 40.13 C ATOM 1432 CG ASN A 86 11.775 -4.448 -14.471 1.00 12.02 C ATOM 1433 OD1 ASN A 86 12.393 -3.421 -14.750 1.00 4.20 O ATOM 1434 ND2 ASN A 86 12.271 -5.662 -14.679 1.00 34.24 N ATOM 0 H ASN A 86 8.442 -4.208 -12.354 1.00 64.45 H new ATOM 0 HA ASN A 86 10.310 -6.272 -12.846 1.00 74.34 H new ATOM 0 HB2 ASN A 86 9.656 -4.731 -14.592 1.00 40.13 H new ATOM 0 HB3 ASN A 86 10.142 -3.342 -13.640 1.00 40.13 H new ATOM 0 HD21 ASN A 86 13.200 -5.771 -15.086 1.00 34.24 H new ATOM 0 HD22 ASN A 86 11.723 -6.486 -14.432 1.00 34.24 H new ATOM 1441 N ALA A 87 11.333 -3.773 -10.952 1.00 21.41 N ATOM 1442 CA ALA A 87 12.375 -3.360 -10.020 1.00 53.30 C ATOM 1443 C ALA A 87 12.360 -4.222 -8.762 1.00 41.13 C ATOM 1444 O ALA A 87 13.359 -4.855 -8.422 1.00 2.42 O ATOM 1445 CB ALA A 87 12.206 -1.892 -9.658 1.00 1.42 C ATOM 0 H ALA A 87 10.544 -3.130 -11.014 1.00 21.41 H new ATOM 0 HA ALA A 87 13.340 -3.494 -10.509 1.00 53.30 H new ATOM 0 HB1 ALA A 87 12.991 -1.596 -8.961 1.00 1.42 H new ATOM 0 HB2 ALA A 87 12.274 -1.285 -10.560 1.00 1.42 H new ATOM 0 HB3 ALA A 87 11.232 -1.742 -9.192 1.00 1.42 H new ATOM 1451 N GLN A 88 11.222 -4.241 -8.077 1.00 14.03 N ATOM 1452 CA GLN A 88 11.079 -5.025 -6.856 1.00 11.14 C ATOM 1453 C GLN A 88 12.129 -4.623 -5.825 1.00 15.23 C ATOM 1454 O GLN A 88 12.472 -5.403 -4.936 1.00 52.12 O ATOM 1455 CB GLN A 88 11.198 -6.518 -7.166 1.00 71.02 C ATOM 1456 CG GLN A 88 10.379 -7.400 -6.237 1.00 5.21 C ATOM 1457 CD GLN A 88 10.860 -8.838 -6.223 1.00 50.53 C ATOM 1458 OE1 GLN A 88 11.600 -9.248 -5.329 1.00 63.42 O ATOM 1459 NE2 GLN A 88 10.440 -9.612 -7.217 1.00 42.32 N ATOM 0 H GLN A 88 10.386 -3.723 -8.346 1.00 14.03 H new ATOM 0 HA GLN A 88 10.092 -4.825 -6.440 1.00 11.14 H new ATOM 0 HB2 GLN A 88 10.880 -6.694 -8.194 1.00 71.02 H new ATOM 0 HB3 GLN A 88 12.246 -6.811 -7.102 1.00 71.02 H new ATOM 0 HG2 GLN A 88 10.424 -6.996 -5.226 1.00 5.21 H new ATOM 0 HG3 GLN A 88 9.334 -7.373 -6.545 1.00 5.21 H new ATOM 0 HE21 GLN A 88 9.827 -9.230 -7.937 1.00 42.32 H new ATOM 0 HE22 GLN A 88 10.730 -10.589 -7.260 1.00 42.32 H new ATOM 1468 N PHE A 89 12.635 -3.401 -5.949 1.00 42.44 N ATOM 1469 CA PHE A 89 13.647 -2.895 -5.029 1.00 62.01 C ATOM 1470 C PHE A 89 13.087 -2.781 -3.614 1.00 64.42 C ATOM 1471 O PHE A 89 11.876 -2.745 -3.400 1.00 34.21 O ATOM 1472 CB PHE A 89 14.158 -1.531 -5.499 1.00 22.44 C ATOM 1473 CG PHE A 89 15.412 -1.612 -6.322 1.00 1.04 C ATOM 1474 CD1 PHE A 89 15.488 -2.466 -7.410 1.00 45.21 C ATOM 1475 CD2 PHE A 89 16.515 -0.834 -6.006 1.00 74.23 C ATOM 1476 CE1 PHE A 89 16.641 -2.542 -8.170 1.00 33.22 C ATOM 1477 CE2 PHE A 89 17.669 -0.906 -6.762 1.00 42.04 C ATOM 1478 CZ PHE A 89 17.733 -1.762 -7.845 1.00 11.23 C ATOM 0 H PHE A 89 12.361 -2.742 -6.678 1.00 42.44 H new ATOM 0 HA PHE A 89 14.477 -3.601 -5.017 1.00 62.01 H new ATOM 0 HB2 PHE A 89 13.379 -1.042 -6.085 1.00 22.44 H new ATOM 0 HB3 PHE A 89 14.344 -0.902 -4.629 1.00 22.44 H new ATOM 0 HD1 PHE A 89 14.637 -3.079 -7.668 1.00 45.21 H new ATOM 0 HD2 PHE A 89 16.472 -0.164 -5.160 1.00 74.23 H new ATOM 0 HE1 PHE A 89 16.687 -3.211 -9.017 1.00 33.22 H new ATOM 0 HE2 PHE A 89 18.521 -0.293 -6.507 1.00 42.04 H new ATOM 0 HZ PHE A 89 18.635 -1.821 -8.436 1.00 11.23 H new ATOM 1488 N PRO A 90 13.990 -2.724 -2.624 1.00 64.30 N ATOM 1489 CA PRO A 90 13.611 -2.614 -1.212 1.00 63.13 C ATOM 1490 C PRO A 90 13.013 -1.252 -0.877 1.00 70.14 C ATOM 1491 O PRO A 90 13.527 -0.217 -1.299 1.00 12.21 O ATOM 1492 CB PRO A 90 14.937 -2.812 -0.473 1.00 33.44 C ATOM 1493 CG PRO A 90 15.982 -2.394 -1.449 1.00 15.15 C ATOM 1494 CD PRO A 90 15.451 -2.762 -2.806 1.00 61.45 C ATOM 0 HA PRO A 90 12.842 -3.337 -0.938 1.00 63.13 H new ATOM 0 HB2 PRO A 90 14.979 -2.209 0.434 1.00 33.44 H new ATOM 0 HB3 PRO A 90 15.070 -3.851 -0.171 1.00 33.44 H new ATOM 0 HG2 PRO A 90 16.173 -1.323 -1.382 1.00 15.15 H new ATOM 0 HG3 PRO A 90 16.927 -2.899 -1.249 1.00 15.15 H new ATOM 0 HD2 PRO A 90 15.779 -2.057 -3.570 1.00 61.45 H new ATOM 0 HD3 PRO A 90 15.792 -3.750 -3.116 1.00 61.45 H new ATOM 1502 N GLY A 91 11.923 -1.260 -0.116 1.00 21.54 N ATOM 1503 CA GLY A 91 11.273 -0.019 0.263 1.00 23.41 C ATOM 1504 C GLY A 91 10.479 0.590 -0.875 1.00 44.22 C ATOM 1505 O GLY A 91 10.418 0.030 -1.970 1.00 22.12 O ATOM 0 H GLY A 91 11.478 -2.104 0.245 1.00 21.54 H new ATOM 0 HA2 GLY A 91 10.609 -0.203 1.107 1.00 23.41 H new ATOM 0 HA3 GLY A 91 12.026 0.694 0.599 1.00 23.41 H new ATOM 1509 N LYS A 92 9.867 1.741 -0.618 1.00 4.23 N ATOM 1510 CA LYS A 92 9.072 2.428 -1.628 1.00 43.45 C ATOM 1511 C LYS A 92 9.918 3.446 -2.387 1.00 64.11 C ATOM 1512 O LYS A 92 10.818 4.066 -1.820 1.00 23.33 O ATOM 1513 CB LYS A 92 7.877 3.127 -0.978 1.00 15.42 C ATOM 1514 CG LYS A 92 8.262 4.069 0.150 1.00 62.10 C ATOM 1515 CD LYS A 92 7.242 5.183 0.320 1.00 65.50 C ATOM 1516 CE LYS A 92 7.337 5.819 1.698 1.00 12.12 C ATOM 1517 NZ LYS A 92 6.448 7.008 1.822 1.00 23.42 N ATOM 0 H LYS A 92 9.907 2.218 0.283 1.00 4.23 H new ATOM 0 HA LYS A 92 8.709 1.683 -2.336 1.00 43.45 H new ATOM 0 HB2 LYS A 92 7.337 3.688 -1.740 1.00 15.42 H new ATOM 0 HB3 LYS A 92 7.192 2.373 -0.592 1.00 15.42 H new ATOM 0 HG2 LYS A 92 8.347 3.508 1.081 1.00 62.10 H new ATOM 0 HG3 LYS A 92 9.242 4.500 -0.053 1.00 62.10 H new ATOM 0 HD2 LYS A 92 7.401 5.943 -0.445 1.00 65.50 H new ATOM 0 HD3 LYS A 92 6.238 4.785 0.170 1.00 65.50 H new ATOM 0 HE2 LYS A 92 7.068 5.084 2.457 1.00 12.12 H new ATOM 0 HE3 LYS A 92 8.368 6.115 1.891 1.00 12.12 H new ATOM 0 HZ1 LYS A 92 7.027 7.866 1.921 1.00 23.42 H new ATOM 0 HZ2 LYS A 92 5.854 7.087 0.972 1.00 23.42 H new ATOM 0 HZ3 LYS A 92 5.841 6.902 2.660 1.00 23.42 H new TER 1531 LYS A 92