USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 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 43 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.0031) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 46 SER OG : rot 180:sc= 0.08 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -170:sc= -0.3 (180deg=-0.607) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0383 (180deg=-0.216) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0421 (180deg=-0.249) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= 0.277 K(o=0.28,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.0117 X(o=0.012,f=-0.02) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.8!) USER MOD Single : A 80 THR OG1 : rot 171:sc= 0.0206 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.125 (180deg=-0.516) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -9.572 -18.245 -13.225 1.00 72.24 N ATOM 2 CA GLY A 41 -9.299 -16.831 -13.053 1.00 3.52 C ATOM 3 C GLY A 41 -9.528 -16.366 -11.628 1.00 53.34 C ATOM 4 O GLY A 41 -10.503 -15.677 -11.327 1.00 75.54 O ATOM 0 HA2 GLY A 41 -8.267 -16.626 -13.338 1.00 3.52 H new ATOM 0 HA3 GLY A 41 -9.935 -16.257 -13.726 1.00 3.52 H new ATOM 8 N PRO A 42 -8.616 -16.746 -10.723 1.00 21.33 N ATOM 9 CA PRO A 42 -8.704 -16.377 -9.307 1.00 3.42 C ATOM 10 C PRO A 42 -8.452 -14.889 -9.079 1.00 64.43 C ATOM 11 O PRO A 42 -7.727 -14.249 -9.843 1.00 33.45 O ATOM 12 CB PRO A 42 -7.599 -17.212 -8.653 1.00 15.41 C ATOM 13 CG PRO A 42 -6.620 -17.468 -9.746 1.00 35.45 C ATOM 14 CD PRO A 42 -7.428 -17.568 -11.010 1.00 50.42 C ATOM 0 HA PRO A 42 -9.697 -16.564 -8.898 1.00 3.42 H new ATOM 0 HB2 PRO A 42 -7.136 -16.676 -7.824 1.00 15.41 H new ATOM 0 HB3 PRO A 42 -7.994 -18.144 -8.249 1.00 15.41 H new ATOM 0 HG2 PRO A 42 -5.890 -16.662 -9.812 1.00 35.45 H new ATOM 0 HG3 PRO A 42 -6.064 -18.388 -9.564 1.00 35.45 H new ATOM 0 HD2 PRO A 42 -6.876 -17.190 -11.870 1.00 50.42 H new ATOM 0 HD3 PRO A 42 -7.698 -18.600 -11.233 1.00 50.42 H new ATOM 22 N HIS A 43 -9.052 -14.346 -8.026 1.00 74.40 N ATOM 23 CA HIS A 43 -8.892 -12.933 -7.698 1.00 33.50 C ATOM 24 C HIS A 43 -7.912 -12.752 -6.543 1.00 61.33 C ATOM 25 O HIS A 43 -7.252 -11.720 -6.433 1.00 42.20 O ATOM 26 CB HIS A 43 -10.243 -12.315 -7.339 1.00 24.32 C ATOM 27 CG HIS A 43 -10.822 -12.844 -6.063 1.00 12.33 C ATOM 28 ND1 HIS A 43 -10.932 -12.086 -4.916 1.00 3.33 N ATOM 29 CD2 HIS A 43 -11.328 -14.061 -5.757 1.00 31.40 C ATOM 30 CE1 HIS A 43 -11.478 -12.816 -3.959 1.00 43.30 C ATOM 31 NE2 HIS A 43 -11.728 -14.019 -4.443 1.00 40.45 N ATOM 0 H HIS A 43 -9.654 -14.862 -7.384 1.00 74.40 H new ATOM 0 HA HIS A 43 -8.491 -12.424 -8.575 1.00 33.50 H new ATOM 0 HB2 HIS A 43 -10.129 -11.234 -7.256 1.00 24.32 H new ATOM 0 HB3 HIS A 43 -10.946 -12.500 -8.152 1.00 24.32 H new ATOM 0 HD2 HIS A 43 -11.404 -14.908 -6.422 1.00 31.40 H new ATOM 0 HE1 HIS A 43 -11.685 -12.485 -2.952 1.00 43.30 H new ATOM 0 HE2 HIS A 43 -12.149 -14.791 -3.926 1.00 40.45 H new ATOM 40 N MET A 44 -7.823 -13.762 -5.684 1.00 71.31 N ATOM 41 CA MET A 44 -6.924 -13.713 -4.538 1.00 31.51 C ATOM 42 C MET A 44 -5.507 -13.352 -4.973 1.00 62.21 C ATOM 43 O MET A 44 -5.126 -13.565 -6.125 1.00 32.32 O ATOM 44 CB MET A 44 -6.918 -15.059 -3.809 1.00 51.11 C ATOM 45 CG MET A 44 -7.965 -15.161 -2.713 1.00 55.02 C ATOM 46 SD MET A 44 -8.363 -16.868 -2.289 1.00 22.24 S ATOM 47 CE MET A 44 -10.066 -16.698 -1.761 1.00 55.02 C ATOM 0 H MET A 44 -8.363 -14.624 -5.760 1.00 71.31 H new ATOM 0 HA MET A 44 -7.285 -12.941 -3.858 1.00 31.51 H new ATOM 0 HB2 MET A 44 -7.084 -15.856 -4.534 1.00 51.11 H new ATOM 0 HB3 MET A 44 -5.932 -15.223 -3.375 1.00 51.11 H new ATOM 0 HG2 MET A 44 -7.605 -14.644 -1.823 1.00 55.02 H new ATOM 0 HG3 MET A 44 -8.872 -14.649 -3.034 1.00 55.02 H new ATOM 0 HE1 MET A 44 -10.455 -17.673 -1.466 1.00 55.02 H new ATOM 0 HE2 MET A 44 -10.118 -16.015 -0.913 1.00 55.02 H new ATOM 0 HE3 MET A 44 -10.664 -16.302 -2.582 1.00 55.02 H new ATOM 57 N THR A 45 -4.730 -12.802 -4.045 1.00 65.35 N ATOM 58 CA THR A 45 -3.356 -12.410 -4.334 1.00 41.12 C ATOM 59 C THR A 45 -2.559 -12.211 -3.049 1.00 74.43 C ATOM 60 O THR A 45 -3.128 -12.148 -1.959 1.00 43.12 O ATOM 61 CB THR A 45 -3.305 -11.112 -5.161 1.00 40.35 C ATOM 62 OG1 THR A 45 -1.965 -10.863 -5.602 1.00 34.42 O ATOM 63 CG2 THR A 45 -3.803 -9.929 -4.345 1.00 30.23 C ATOM 0 H THR A 45 -5.029 -12.618 -3.087 1.00 65.35 H new ATOM 0 HA THR A 45 -2.911 -13.220 -4.913 1.00 41.12 H new ATOM 0 HB THR A 45 -3.955 -11.235 -6.027 1.00 40.35 H new ATOM 0 HG1 THR A 45 -1.942 -10.037 -6.128 1.00 34.42 H new ATOM 0 HG21 THR A 45 -3.757 -9.024 -4.951 1.00 30.23 H new ATOM 0 HG22 THR A 45 -4.833 -10.108 -4.037 1.00 30.23 H new ATOM 0 HG23 THR A 45 -3.176 -9.806 -3.462 1.00 30.23 H new ATOM 71 N SER A 46 -1.242 -12.114 -3.186 1.00 5.30 N ATOM 72 CA SER A 46 -0.366 -11.926 -2.035 1.00 0.51 C ATOM 73 C SER A 46 -0.819 -10.734 -1.196 1.00 52.54 C ATOM 74 O SER A 46 -1.105 -9.661 -1.728 1.00 62.22 O ATOM 75 CB SER A 46 1.079 -11.720 -2.494 1.00 25.42 C ATOM 76 OG SER A 46 1.330 -12.404 -3.710 1.00 13.24 O ATOM 0 H SER A 46 -0.757 -12.162 -4.082 1.00 5.30 H new ATOM 0 HA SER A 46 -0.420 -12.824 -1.419 1.00 0.51 H new ATOM 0 HB2 SER A 46 1.274 -10.656 -2.625 1.00 25.42 H new ATOM 0 HB3 SER A 46 1.763 -12.077 -1.724 1.00 25.42 H new ATOM 0 HG SER A 46 2.259 -12.255 -3.983 1.00 13.24 H new ATOM 82 N GLU A 47 -0.881 -10.931 0.116 1.00 14.54 N ATOM 83 CA GLU A 47 -1.300 -9.872 1.028 1.00 23.20 C ATOM 84 C GLU A 47 -0.495 -8.599 0.791 1.00 65.04 C ATOM 85 O GLU A 47 -1.013 -7.489 0.920 1.00 41.13 O ATOM 86 CB GLU A 47 -1.140 -10.327 2.480 1.00 24.23 C ATOM 87 CG GLU A 47 -1.873 -9.446 3.478 1.00 31.45 C ATOM 88 CD GLU A 47 -2.101 -10.137 4.809 1.00 74.44 C ATOM 89 OE1 GLU A 47 -1.119 -10.646 5.388 1.00 33.44 O ATOM 90 OE2 GLU A 47 -3.262 -10.169 5.270 1.00 42.51 O ATOM 0 H GLU A 47 -0.647 -11.813 0.572 1.00 14.54 H new ATOM 0 HA GLU A 47 -2.351 -9.657 0.835 1.00 23.20 H new ATOM 0 HB2 GLU A 47 -1.505 -11.350 2.574 1.00 24.23 H new ATOM 0 HB3 GLU A 47 -0.080 -10.343 2.732 1.00 24.23 H new ATOM 0 HG2 GLU A 47 -1.300 -8.533 3.640 1.00 31.45 H new ATOM 0 HG3 GLU A 47 -2.834 -9.149 3.058 1.00 31.45 H new ATOM 98 N LEU A 48 0.777 -8.766 0.444 1.00 61.35 N ATOM 99 CA LEU A 48 1.656 -7.631 0.188 1.00 44.12 C ATOM 100 C LEU A 48 1.292 -6.944 -1.124 1.00 61.43 C ATOM 101 O LEU A 48 1.421 -5.728 -1.256 1.00 43.11 O ATOM 102 CB LEU A 48 3.115 -8.089 0.149 1.00 21.23 C ATOM 103 CG LEU A 48 3.438 -9.218 -0.830 1.00 64.24 C ATOM 104 CD1 LEU A 48 3.828 -8.653 -2.187 1.00 2.43 C ATOM 105 CD2 LEU A 48 4.549 -10.101 -0.279 1.00 53.42 C ATOM 0 H LEU A 48 1.222 -9.677 0.334 1.00 61.35 H new ATOM 0 HA LEU A 48 1.528 -6.914 0.999 1.00 44.12 H new ATOM 0 HB2 LEU A 48 3.738 -7.230 -0.100 1.00 21.23 H new ATOM 0 HB3 LEU A 48 3.401 -8.411 1.150 1.00 21.23 H new ATOM 0 HG LEU A 48 2.544 -9.829 -0.957 1.00 64.24 H new ATOM 0 HD11 LEU A 48 4.054 -9.471 -2.870 1.00 2.43 H new ATOM 0 HD12 LEU A 48 3.003 -8.064 -2.587 1.00 2.43 H new ATOM 0 HD13 LEU A 48 4.707 -8.018 -2.078 1.00 2.43 H new ATOM 0 HD21 LEU A 48 4.765 -10.899 -0.989 1.00 53.42 H new ATOM 0 HD22 LEU A 48 5.446 -9.502 -0.122 1.00 53.42 H new ATOM 0 HD23 LEU A 48 4.232 -10.535 0.669 1.00 53.42 H new ATOM 117 N GLN A 49 0.834 -7.733 -2.091 1.00 62.22 N ATOM 118 CA GLN A 49 0.450 -7.200 -3.393 1.00 41.14 C ATOM 119 C GLN A 49 -0.902 -6.500 -3.317 1.00 14.24 C ATOM 120 O GLN A 49 -1.145 -5.518 -4.018 1.00 72.12 O ATOM 121 CB GLN A 49 0.399 -8.322 -4.432 1.00 54.34 C ATOM 122 CG GLN A 49 1.718 -8.544 -5.153 1.00 21.34 C ATOM 123 CD GLN A 49 1.902 -7.613 -6.335 1.00 71.32 C ATOM 124 OE1 GLN A 49 1.429 -7.890 -7.438 1.00 31.33 O ATOM 125 NE2 GLN A 49 2.593 -6.500 -6.111 1.00 74.54 N ATOM 0 H GLN A 49 0.720 -8.742 -1.998 1.00 62.22 H new ATOM 0 HA GLN A 49 1.201 -6.469 -3.694 1.00 41.14 H new ATOM 0 HB2 GLN A 49 0.103 -9.248 -3.940 1.00 54.34 H new ATOM 0 HB3 GLN A 49 -0.373 -8.091 -5.166 1.00 54.34 H new ATOM 0 HG2 GLN A 49 2.540 -8.401 -4.451 1.00 21.34 H new ATOM 0 HG3 GLN A 49 1.770 -9.577 -5.498 1.00 21.34 H new ATOM 0 HE21 GLN A 49 2.967 -6.310 -5.181 1.00 74.54 H new ATOM 0 HE22 GLN A 49 2.749 -5.835 -6.869 1.00 74.54 H new ATOM 134 N MET A 50 -1.781 -7.011 -2.459 1.00 51.15 N ATOM 135 CA MET A 50 -3.109 -6.433 -2.291 1.00 3.31 C ATOM 136 C MET A 50 -3.029 -5.080 -1.592 1.00 4.24 C ATOM 137 O MET A 50 -3.836 -4.186 -1.850 1.00 70.44 O ATOM 138 CB MET A 50 -4.003 -7.381 -1.490 1.00 34.33 C ATOM 139 CG MET A 50 -5.488 -7.111 -1.667 1.00 14.04 C ATOM 140 SD MET A 50 -6.513 -8.133 -0.592 1.00 34.52 S ATOM 141 CE MET A 50 -6.043 -9.774 -1.137 1.00 42.24 C ATOM 0 H MET A 50 -1.597 -7.823 -1.870 1.00 51.15 H new ATOM 0 HA MET A 50 -3.541 -6.286 -3.281 1.00 3.31 H new ATOM 0 HB2 MET A 50 -3.791 -8.407 -1.789 1.00 34.33 H new ATOM 0 HB3 MET A 50 -3.751 -7.299 -0.433 1.00 34.33 H new ATOM 0 HG2 MET A 50 -5.689 -6.060 -1.462 1.00 14.04 H new ATOM 0 HG3 MET A 50 -5.765 -7.292 -2.706 1.00 14.04 H new ATOM 0 HE1 MET A 50 -6.715 -10.510 -0.696 1.00 42.24 H new ATOM 0 HE2 MET A 50 -6.108 -9.829 -2.224 1.00 42.24 H new ATOM 0 HE3 MET A 50 -5.020 -9.982 -0.823 1.00 42.24 H new ATOM 151 N LYS A 51 -2.051 -4.934 -0.704 1.00 64.14 N ATOM 152 CA LYS A 51 -1.863 -3.689 0.031 1.00 25.25 C ATOM 153 C LYS A 51 -1.693 -2.513 -0.924 1.00 65.42 C ATOM 154 O LYS A 51 -2.105 -1.392 -0.625 1.00 32.13 O ATOM 155 CB LYS A 51 -0.644 -3.796 0.951 1.00 12.40 C ATOM 156 CG LYS A 51 -0.991 -4.182 2.378 1.00 23.30 C ATOM 157 CD LYS A 51 0.067 -3.704 3.358 1.00 45.41 C ATOM 158 CE LYS A 51 -0.312 -2.368 3.980 1.00 21.32 C ATOM 159 NZ LYS A 51 -1.454 -2.502 4.926 1.00 23.25 N ATOM 0 H LYS A 51 -1.376 -5.664 -0.476 1.00 64.14 H new ATOM 0 HA LYS A 51 -2.753 -3.515 0.636 1.00 25.25 H new ATOM 0 HB2 LYS A 51 0.046 -4.534 0.542 1.00 12.40 H new ATOM 0 HB3 LYS A 51 -0.120 -2.840 0.959 1.00 12.40 H new ATOM 0 HG2 LYS A 51 -1.957 -3.754 2.647 1.00 23.30 H new ATOM 0 HG3 LYS A 51 -1.091 -5.265 2.449 1.00 23.30 H new ATOM 0 HD2 LYS A 51 0.199 -4.448 4.144 1.00 45.41 H new ATOM 0 HD3 LYS A 51 1.024 -3.609 2.845 1.00 45.41 H new ATOM 0 HE2 LYS A 51 0.549 -1.955 4.506 1.00 21.32 H new ATOM 0 HE3 LYS A 51 -0.574 -1.662 3.192 1.00 21.32 H new ATOM 0 HZ1 LYS A 51 -1.490 -1.669 5.547 1.00 23.25 H new ATOM 0 HZ2 LYS A 51 -2.342 -2.573 4.390 1.00 23.25 H new ATOM 0 HZ3 LYS A 51 -1.328 -3.358 5.503 1.00 23.25 H new ATOM 173 N VAL A 52 -1.082 -2.775 -2.076 1.00 14.32 N ATOM 174 CA VAL A 52 -0.859 -1.738 -3.076 1.00 34.40 C ATOM 175 C VAL A 52 -2.066 -1.595 -3.997 1.00 21.41 C ATOM 176 O VAL A 52 -2.631 -0.509 -4.133 1.00 74.52 O ATOM 177 CB VAL A 52 0.389 -2.038 -3.927 1.00 12.30 C ATOM 178 CG1 VAL A 52 0.593 -0.955 -4.975 1.00 40.03 C ATOM 179 CG2 VAL A 52 1.618 -2.171 -3.039 1.00 53.25 C ATOM 0 H VAL A 52 -0.733 -3.697 -2.339 1.00 14.32 H new ATOM 0 HA VAL A 52 -0.705 -0.804 -2.535 1.00 34.40 H new ATOM 0 HB VAL A 52 0.237 -2.986 -4.444 1.00 12.30 H new ATOM 0 HG11 VAL A 52 1.479 -1.184 -5.567 1.00 40.03 H new ATOM 0 HG12 VAL A 52 -0.278 -0.912 -5.628 1.00 40.03 H new ATOM 0 HG13 VAL A 52 0.725 0.008 -4.482 1.00 40.03 H new ATOM 0 HG21 VAL A 52 2.491 -2.383 -3.656 1.00 53.25 H new ATOM 0 HG22 VAL A 52 1.776 -1.240 -2.494 1.00 53.25 H new ATOM 0 HG23 VAL A 52 1.468 -2.985 -2.330 1.00 53.25 H new ATOM 189 N ASP A 53 -2.457 -2.697 -4.628 1.00 65.12 N ATOM 190 CA ASP A 53 -3.597 -2.696 -5.535 1.00 50.24 C ATOM 191 C ASP A 53 -4.819 -2.068 -4.872 1.00 34.45 C ATOM 192 O ASP A 53 -5.663 -1.470 -5.540 1.00 11.14 O ATOM 193 CB ASP A 53 -3.921 -4.121 -5.985 1.00 72.34 C ATOM 194 CG ASP A 53 -4.714 -4.156 -7.277 1.00 12.44 C ATOM 195 OD1 ASP A 53 -5.946 -3.960 -7.221 1.00 53.31 O ATOM 196 OD2 ASP A 53 -4.103 -4.377 -8.342 1.00 22.21 O ATOM 0 H ASP A 53 -2.000 -3.603 -4.527 1.00 65.12 H new ATOM 0 HA ASP A 53 -3.333 -2.100 -6.408 1.00 50.24 H new ATOM 0 HB2 ASP A 53 -2.993 -4.677 -6.117 1.00 72.34 H new ATOM 0 HB3 ASP A 53 -4.486 -4.626 -5.202 1.00 72.34 H new ATOM 202 N PHE A 54 -4.908 -2.212 -3.554 1.00 12.31 N ATOM 203 CA PHE A 54 -6.028 -1.661 -2.799 1.00 41.44 C ATOM 204 C PHE A 54 -6.094 -0.144 -2.952 1.00 62.34 C ATOM 205 O PHE A 54 -7.013 0.389 -3.575 1.00 43.04 O ATOM 206 CB PHE A 54 -5.905 -2.030 -1.319 1.00 40.22 C ATOM 207 CG PHE A 54 -6.990 -1.443 -0.463 1.00 11.04 C ATOM 208 CD1 PHE A 54 -8.313 -1.493 -0.867 1.00 72.33 C ATOM 209 CD2 PHE A 54 -6.685 -0.842 0.748 1.00 53.35 C ATOM 210 CE1 PHE A 54 -9.315 -0.954 -0.081 1.00 45.32 C ATOM 211 CE2 PHE A 54 -7.681 -0.301 1.539 1.00 74.21 C ATOM 212 CZ PHE A 54 -8.998 -0.357 1.123 1.00 40.21 C ATOM 0 H PHE A 54 -4.219 -2.705 -2.987 1.00 12.31 H new ATOM 0 HA PHE A 54 -6.947 -2.090 -3.198 1.00 41.44 H new ATOM 0 HB2 PHE A 54 -5.923 -3.115 -1.221 1.00 40.22 H new ATOM 0 HB3 PHE A 54 -4.937 -1.692 -0.948 1.00 40.22 H new ATOM 0 HD1 PHE A 54 -8.566 -1.959 -1.808 1.00 72.33 H new ATOM 0 HD2 PHE A 54 -5.657 -0.796 1.077 1.00 53.35 H new ATOM 0 HE1 PHE A 54 -10.343 -1.000 -0.408 1.00 45.32 H new ATOM 0 HE2 PHE A 54 -7.431 0.165 2.481 1.00 74.21 H new ATOM 0 HZ PHE A 54 -9.778 0.066 1.739 1.00 40.21 H new ATOM 222 N PHE A 55 -5.114 0.545 -2.379 1.00 3.40 N ATOM 223 CA PHE A 55 -5.060 2.001 -2.450 1.00 10.11 C ATOM 224 C PHE A 55 -4.986 2.473 -3.898 1.00 65.15 C ATOM 225 O PHE A 55 -5.367 3.600 -4.217 1.00 31.12 O ATOM 226 CB PHE A 55 -3.853 2.526 -1.668 1.00 14.44 C ATOM 227 CG PHE A 55 -4.084 2.596 -0.185 1.00 70.03 C ATOM 228 CD1 PHE A 55 -4.710 3.695 0.381 1.00 23.14 C ATOM 229 CD2 PHE A 55 -3.677 1.562 0.641 1.00 1.35 C ATOM 230 CE1 PHE A 55 -4.922 3.762 1.745 1.00 34.14 C ATOM 231 CE2 PHE A 55 -3.887 1.623 2.006 1.00 21.25 C ATOM 232 CZ PHE A 55 -4.512 2.724 2.559 1.00 50.12 C ATOM 0 H PHE A 55 -4.346 0.119 -1.860 1.00 3.40 H new ATOM 0 HA PHE A 55 -5.973 2.396 -2.005 1.00 10.11 H new ATOM 0 HB2 PHE A 55 -2.995 1.883 -1.864 1.00 14.44 H new ATOM 0 HB3 PHE A 55 -3.597 3.520 -2.035 1.00 14.44 H new ATOM 0 HD1 PHE A 55 -5.036 4.508 -0.251 1.00 23.14 H new ATOM 0 HD2 PHE A 55 -3.190 0.698 0.214 1.00 1.35 H new ATOM 0 HE1 PHE A 55 -5.408 4.626 2.174 1.00 34.14 H new ATOM 0 HE2 PHE A 55 -3.563 0.811 2.640 1.00 21.25 H new ATOM 0 HZ PHE A 55 -4.680 2.773 3.625 1.00 50.12 H new ATOM 242 N ARG A 56 -4.491 1.603 -4.773 1.00 62.12 N ATOM 243 CA ARG A 56 -4.364 1.931 -6.188 1.00 20.32 C ATOM 244 C ARG A 56 -5.731 2.210 -6.806 1.00 63.43 C ATOM 245 O ARG A 56 -5.844 2.957 -7.778 1.00 72.13 O ATOM 246 CB ARG A 56 -3.677 0.788 -6.938 1.00 64.43 C ATOM 247 CG ARG A 56 -2.176 0.725 -6.711 1.00 2.33 C ATOM 248 CD ARG A 56 -1.419 1.528 -7.757 1.00 13.54 C ATOM 249 NE ARG A 56 -0.097 0.970 -8.026 1.00 34.12 N ATOM 250 CZ ARG A 56 0.110 -0.079 -8.815 1.00 14.22 C ATOM 251 NH1 ARG A 56 -0.912 -0.679 -9.408 1.00 32.33 N ATOM 252 NH2 ARG A 56 1.342 -0.529 -9.011 1.00 63.33 N ATOM 0 H ARG A 56 -4.172 0.666 -4.527 1.00 62.12 H new ATOM 0 HA ARG A 56 -3.755 2.831 -6.274 1.00 20.32 H new ATOM 0 HB2 ARG A 56 -4.122 -0.158 -6.629 1.00 64.43 H new ATOM 0 HB3 ARG A 56 -3.870 0.897 -8.005 1.00 64.43 H new ATOM 0 HG2 ARG A 56 -1.941 1.107 -5.718 1.00 2.33 H new ATOM 0 HG3 ARG A 56 -1.846 -0.313 -6.739 1.00 2.33 H new ATOM 0 HD2 ARG A 56 -1.996 1.554 -8.681 1.00 13.54 H new ATOM 0 HD3 ARG A 56 -1.315 2.558 -7.417 1.00 13.54 H new ATOM 0 HE ARG A 56 0.711 1.409 -7.585 1.00 34.12 H new ATOM 0 HH11 ARG A 56 -1.861 -0.336 -9.259 1.00 32.33 H new ATOM 0 HH12 ARG A 56 -0.750 -1.484 -10.013 1.00 32.33 H new ATOM 0 HH21 ARG A 56 2.131 -0.070 -8.556 1.00 63.33 H new ATOM 0 HH22 ARG A 56 1.500 -1.334 -9.617 1.00 63.33 H new ATOM 266 N LYS A 57 -6.767 1.605 -6.236 1.00 62.41 N ATOM 267 CA LYS A 57 -8.127 1.787 -6.729 1.00 5.31 C ATOM 268 C LYS A 57 -8.832 2.911 -5.976 1.00 31.21 C ATOM 269 O LYS A 57 -9.804 3.486 -6.467 1.00 13.12 O ATOM 270 CB LYS A 57 -8.921 0.487 -6.588 1.00 14.35 C ATOM 271 CG LYS A 57 -9.573 0.317 -5.225 1.00 53.55 C ATOM 272 CD LYS A 57 -9.575 -1.137 -4.785 1.00 22.21 C ATOM 273 CE LYS A 57 -10.374 -2.008 -5.742 1.00 22.41 C ATOM 274 NZ LYS A 57 -11.792 -1.566 -5.843 1.00 4.41 N ATOM 0 H LYS A 57 -6.691 0.983 -5.431 1.00 62.41 H new ATOM 0 HA LYS A 57 -8.072 2.058 -7.783 1.00 5.31 H new ATOM 0 HB2 LYS A 57 -9.693 0.457 -7.357 1.00 14.35 H new ATOM 0 HB3 LYS A 57 -8.256 -0.357 -6.771 1.00 14.35 H new ATOM 0 HG2 LYS A 57 -9.042 0.920 -4.489 1.00 53.55 H new ATOM 0 HG3 LYS A 57 -10.597 0.688 -5.262 1.00 53.55 H new ATOM 0 HD2 LYS A 57 -8.550 -1.503 -4.729 1.00 22.21 H new ATOM 0 HD3 LYS A 57 -9.997 -1.214 -3.783 1.00 22.21 H new ATOM 0 HE2 LYS A 57 -9.914 -1.979 -6.730 1.00 22.41 H new ATOM 0 HE3 LYS A 57 -10.340 -3.044 -5.405 1.00 22.41 H new ATOM 0 HZ1 LYS A 57 -12.355 -2.308 -6.306 1.00 4.41 H new ATOM 0 HZ2 LYS A 57 -12.169 -1.390 -4.890 1.00 4.41 H new ATOM 0 HZ3 LYS A 57 -11.844 -0.691 -6.403 1.00 4.41 H new ATOM 288 N LEU A 58 -8.336 3.219 -4.782 1.00 52.12 N ATOM 289 CA LEU A 58 -8.918 4.276 -3.962 1.00 3.11 C ATOM 290 C LEU A 58 -8.852 5.621 -4.679 1.00 24.21 C ATOM 291 O LEU A 58 -9.587 6.549 -4.348 1.00 31.31 O ATOM 292 CB LEU A 58 -8.191 4.365 -2.619 1.00 70.42 C ATOM 293 CG LEU A 58 -8.792 3.546 -1.475 1.00 50.43 C ATOM 294 CD1 LEU A 58 -10.186 4.050 -1.134 1.00 73.13 C ATOM 295 CD2 LEU A 58 -8.831 2.069 -1.840 1.00 30.11 C ATOM 0 H LEU A 58 -7.533 2.752 -4.361 1.00 52.12 H new ATOM 0 HA LEU A 58 -9.965 4.030 -3.786 1.00 3.11 H new ATOM 0 HB2 LEU A 58 -7.159 4.045 -2.765 1.00 70.42 H new ATOM 0 HB3 LEU A 58 -8.160 5.411 -2.314 1.00 70.42 H new ATOM 0 HG LEU A 58 -8.159 3.666 -0.596 1.00 50.43 H new ATOM 0 HD11 LEU A 58 -10.598 3.456 -0.318 1.00 73.13 H new ATOM 0 HD12 LEU A 58 -10.131 5.095 -0.830 1.00 73.13 H new ATOM 0 HD13 LEU A 58 -10.829 3.960 -2.009 1.00 73.13 H new ATOM 0 HD21 LEU A 58 -9.261 1.502 -1.015 1.00 30.11 H new ATOM 0 HD22 LEU A 58 -9.441 1.931 -2.733 1.00 30.11 H new ATOM 0 HD23 LEU A 58 -7.818 1.715 -2.034 1.00 30.11 H new ATOM 307 N GLY A 59 -7.964 5.717 -5.665 1.00 15.34 N ATOM 308 CA GLY A 59 -7.819 6.952 -6.414 1.00 73.50 C ATOM 309 C GLY A 59 -6.457 7.588 -6.225 1.00 64.12 C ATOM 310 O GLY A 59 -6.275 8.774 -6.501 1.00 22.30 O ATOM 0 H GLY A 59 -7.343 4.962 -5.958 1.00 15.34 H new ATOM 0 HA2 GLY A 59 -7.979 6.752 -7.473 1.00 73.50 H new ATOM 0 HA3 GLY A 59 -8.591 7.655 -6.102 1.00 73.50 H new ATOM 314 N TYR A 60 -5.498 6.799 -5.752 1.00 41.24 N ATOM 315 CA TYR A 60 -4.146 7.294 -5.523 1.00 45.13 C ATOM 316 C TYR A 60 -3.255 7.028 -6.734 1.00 14.04 C ATOM 317 O TYR A 60 -3.714 6.518 -7.756 1.00 22.15 O ATOM 318 CB TYR A 60 -3.544 6.637 -4.280 1.00 10.53 C ATOM 319 CG TYR A 60 -4.067 7.209 -2.980 1.00 43.22 C ATOM 320 CD1 TYR A 60 -3.725 8.494 -2.576 1.00 64.53 C ATOM 321 CD2 TYR A 60 -4.902 6.463 -2.157 1.00 50.55 C ATOM 322 CE1 TYR A 60 -4.199 9.019 -1.391 1.00 31.35 C ATOM 323 CE2 TYR A 60 -5.383 6.982 -0.971 1.00 24.55 C ATOM 324 CZ TYR A 60 -5.028 8.259 -0.591 1.00 42.53 C ATOM 325 OH TYR A 60 -5.503 8.779 0.592 1.00 34.10 O ATOM 0 H TYR A 60 -5.632 5.815 -5.520 1.00 41.24 H new ATOM 0 HA TYR A 60 -4.203 8.371 -5.366 1.00 45.13 H new ATOM 0 HB2 TYR A 60 -3.753 5.568 -4.307 1.00 10.53 H new ATOM 0 HB3 TYR A 60 -2.460 6.751 -4.308 1.00 10.53 H new ATOM 0 HD1 TYR A 60 -3.077 9.092 -3.200 1.00 64.53 H new ATOM 0 HD2 TYR A 60 -5.179 5.461 -2.450 1.00 50.55 H new ATOM 0 HE1 TYR A 60 -3.923 10.019 -1.091 1.00 31.35 H new ATOM 0 HE2 TYR A 60 -6.034 6.391 -0.344 1.00 24.55 H new ATOM 0 HH TYR A 60 -6.074 8.117 1.035 1.00 34.10 H new ATOM 335 N SER A 61 -1.979 7.377 -6.609 1.00 12.51 N ATOM 336 CA SER A 61 -1.024 7.180 -7.692 1.00 45.23 C ATOM 337 C SER A 61 -0.116 5.988 -7.406 1.00 24.12 C ATOM 338 O SER A 61 0.342 5.798 -6.279 1.00 34.34 O ATOM 339 CB SER A 61 -0.180 8.440 -7.893 1.00 2.43 C ATOM 340 OG SER A 61 -0.640 9.192 -9.003 1.00 22.15 O ATOM 0 H SER A 61 -1.583 7.798 -5.768 1.00 12.51 H new ATOM 0 HA SER A 61 -1.585 6.977 -8.604 1.00 45.23 H new ATOM 0 HB2 SER A 61 -0.218 9.054 -6.993 1.00 2.43 H new ATOM 0 HB3 SER A 61 0.863 8.162 -8.045 1.00 2.43 H new ATOM 0 HG SER A 61 -0.085 9.993 -9.108 1.00 22.15 H new ATOM 346 N SER A 62 0.140 5.185 -8.435 1.00 13.41 N ATOM 347 CA SER A 62 0.988 4.009 -8.295 1.00 1.11 C ATOM 348 C SER A 62 2.365 4.393 -7.760 1.00 11.05 C ATOM 349 O SER A 62 2.919 3.712 -6.896 1.00 43.34 O ATOM 350 CB SER A 62 1.133 3.295 -9.640 1.00 34.24 C ATOM 351 OG SER A 62 1.416 4.215 -10.679 1.00 2.45 O ATOM 0 H SER A 62 -0.229 5.329 -9.375 1.00 13.41 H new ATOM 0 HA SER A 62 0.515 3.334 -7.582 1.00 1.11 H new ATOM 0 HB2 SER A 62 1.931 2.555 -9.578 1.00 34.24 H new ATOM 0 HB3 SER A 62 0.215 2.755 -9.869 1.00 34.24 H new ATOM 0 HG SER A 62 1.506 3.733 -11.527 1.00 2.45 H new ATOM 357 N SER A 63 2.911 5.487 -8.279 1.00 55.30 N ATOM 358 CA SER A 63 4.223 5.962 -7.858 1.00 22.34 C ATOM 359 C SER A 63 4.219 6.328 -6.377 1.00 72.03 C ATOM 360 O SER A 63 5.263 6.334 -5.726 1.00 42.20 O ATOM 361 CB SER A 63 4.645 7.172 -8.694 1.00 25.43 C ATOM 362 OG SER A 63 4.736 6.835 -10.067 1.00 53.51 O ATOM 0 H SER A 63 2.464 6.062 -8.993 1.00 55.30 H new ATOM 0 HA SER A 63 4.940 5.156 -8.013 1.00 22.34 H new ATOM 0 HB2 SER A 63 3.925 7.979 -8.561 1.00 25.43 H new ATOM 0 HB3 SER A 63 5.608 7.543 -8.343 1.00 25.43 H new ATOM 0 HG SER A 63 5.005 7.625 -10.581 1.00 53.51 H new ATOM 368 N GLU A 64 3.036 6.634 -5.853 1.00 3.34 N ATOM 369 CA GLU A 64 2.896 7.003 -4.450 1.00 32.02 C ATOM 370 C GLU A 64 2.811 5.762 -3.566 1.00 63.45 C ATOM 371 O GLU A 64 3.592 5.600 -2.627 1.00 44.34 O ATOM 372 CB GLU A 64 1.651 7.871 -4.249 1.00 4.11 C ATOM 373 CG GLU A 64 1.736 9.224 -4.936 1.00 24.11 C ATOM 374 CD GLU A 64 2.179 10.328 -3.995 1.00 50.15 C ATOM 375 OE1 GLU A 64 3.318 10.254 -3.489 1.00 22.52 O ATOM 376 OE2 GLU A 64 1.388 11.266 -3.766 1.00 73.34 O ATOM 0 H GLU A 64 2.162 6.634 -6.379 1.00 3.34 H new ATOM 0 HA GLU A 64 3.779 7.574 -4.162 1.00 32.02 H new ATOM 0 HB2 GLU A 64 0.780 7.335 -4.626 1.00 4.11 H new ATOM 0 HB3 GLU A 64 1.493 8.024 -3.181 1.00 4.11 H new ATOM 0 HG2 GLU A 64 2.434 9.161 -5.770 1.00 24.11 H new ATOM 0 HG3 GLU A 64 0.762 9.477 -5.354 1.00 24.11 H new ATOM 384 N ILE A 65 1.858 4.889 -3.873 1.00 61.22 N ATOM 385 CA ILE A 65 1.671 3.661 -3.108 1.00 3.31 C ATOM 386 C ILE A 65 2.890 2.753 -3.220 1.00 44.04 C ATOM 387 O ILE A 65 3.423 2.284 -2.215 1.00 25.03 O ATOM 388 CB ILE A 65 0.424 2.890 -3.578 1.00 71.11 C ATOM 389 CG1 ILE A 65 -0.830 3.750 -3.408 1.00 22.45 C ATOM 390 CG2 ILE A 65 0.287 1.585 -2.808 1.00 3.45 C ATOM 391 CD1 ILE A 65 -2.002 3.281 -4.240 1.00 23.33 C ATOM 0 H ILE A 65 1.203 5.008 -4.646 1.00 61.22 H new ATOM 0 HA ILE A 65 1.535 3.955 -2.067 1.00 3.31 H new ATOM 0 HB ILE A 65 0.538 2.655 -4.636 1.00 71.11 H new ATOM 0 HG12 ILE A 65 -1.119 3.753 -2.357 1.00 22.45 H new ATOM 0 HG13 ILE A 65 -0.594 4.780 -3.676 1.00 22.45 H new ATOM 0 HG21 ILE A 65 -0.599 1.051 -3.151 1.00 3.45 H new ATOM 0 HG22 ILE A 65 1.170 0.969 -2.977 1.00 3.45 H new ATOM 0 HG23 ILE A 65 0.192 1.799 -1.743 1.00 3.45 H new ATOM 0 HD11 ILE A 65 -2.855 3.937 -4.069 1.00 23.33 H new ATOM 0 HD12 ILE A 65 -1.732 3.305 -5.296 1.00 23.33 H new ATOM 0 HD13 ILE A 65 -2.265 2.262 -3.956 1.00 23.33 H new ATOM 403 N HIS A 66 3.329 2.508 -4.451 1.00 55.53 N ATOM 404 CA HIS A 66 4.487 1.657 -4.696 1.00 45.31 C ATOM 405 C HIS A 66 5.726 2.213 -3.998 1.00 71.22 C ATOM 406 O HIS A 66 6.660 1.472 -3.689 1.00 15.20 O ATOM 407 CB HIS A 66 4.746 1.532 -6.197 1.00 64.32 C ATOM 408 CG HIS A 66 5.413 0.248 -6.584 1.00 41.34 C ATOM 409 ND1 HIS A 66 6.634 -0.149 -6.079 1.00 74.01 N ATOM 410 CD2 HIS A 66 5.023 -0.732 -7.433 1.00 73.13 C ATOM 411 CE1 HIS A 66 6.965 -1.317 -6.601 1.00 12.41 C ATOM 412 NE2 HIS A 66 6.004 -1.692 -7.425 1.00 64.00 N ATOM 0 H HIS A 66 2.899 2.888 -5.295 1.00 55.53 H new ATOM 0 HA HIS A 66 4.274 0.669 -4.289 1.00 45.31 H new ATOM 0 HB2 HIS A 66 3.798 1.615 -6.729 1.00 64.32 H new ATOM 0 HB3 HIS A 66 5.367 2.367 -6.521 1.00 64.32 H new ATOM 0 HD1 HIS A 66 7.194 0.377 -5.408 1.00 74.01 H new ATOM 0 HD2 HIS A 66 4.110 -0.754 -8.009 1.00 73.13 H new ATOM 0 HE1 HIS A 66 7.868 -1.871 -6.390 1.00 12.41 H new ATOM 421 N SER A 67 5.726 3.519 -3.756 1.00 0.43 N ATOM 422 CA SER A 67 6.851 4.174 -3.099 1.00 4.23 C ATOM 423 C SER A 67 6.824 3.923 -1.594 1.00 63.13 C ATOM 424 O SER A 67 7.764 3.364 -1.029 1.00 15.34 O ATOM 425 CB SER A 67 6.827 5.678 -3.377 1.00 44.22 C ATOM 426 OG SER A 67 7.412 6.404 -2.310 1.00 50.31 O ATOM 0 H SER A 67 4.960 4.145 -4.005 1.00 0.43 H new ATOM 0 HA SER A 67 7.771 3.752 -3.503 1.00 4.23 H new ATOM 0 HB2 SER A 67 7.364 5.889 -4.302 1.00 44.22 H new ATOM 0 HB3 SER A 67 5.798 6.007 -3.524 1.00 44.22 H new ATOM 0 HG SER A 67 7.386 7.362 -2.513 1.00 50.31 H new ATOM 432 N VAL A 68 5.738 4.341 -0.951 1.00 24.20 N ATOM 433 CA VAL A 68 5.585 4.161 0.488 1.00 44.34 C ATOM 434 C VAL A 68 5.744 2.696 0.878 1.00 13.24 C ATOM 435 O VAL A 68 6.348 2.379 1.904 1.00 23.41 O ATOM 436 CB VAL A 68 4.213 4.665 0.973 1.00 70.10 C ATOM 437 CG1 VAL A 68 4.133 6.180 0.870 1.00 12.40 C ATOM 438 CG2 VAL A 68 3.093 4.009 0.180 1.00 25.30 C ATOM 0 H VAL A 68 4.951 4.806 -1.404 1.00 24.20 H new ATOM 0 HA VAL A 68 6.369 4.748 0.966 1.00 44.34 H new ATOM 0 HB VAL A 68 4.095 4.389 2.021 1.00 70.10 H new ATOM 0 HG11 VAL A 68 3.156 6.517 1.217 1.00 12.40 H new ATOM 0 HG12 VAL A 68 4.912 6.628 1.487 1.00 12.40 H new ATOM 0 HG13 VAL A 68 4.273 6.482 -0.168 1.00 12.40 H new ATOM 0 HG21 VAL A 68 2.131 4.377 0.536 1.00 25.30 H new ATOM 0 HG22 VAL A 68 3.205 4.251 -0.877 1.00 25.30 H new ATOM 0 HG23 VAL A 68 3.139 2.928 0.311 1.00 25.30 H new ATOM 448 N LEU A 69 5.199 1.808 0.056 1.00 33.33 N ATOM 449 CA LEU A 69 5.280 0.374 0.315 1.00 64.03 C ATOM 450 C LEU A 69 6.701 -0.136 0.106 1.00 64.54 C ATOM 451 O LEU A 69 7.122 -1.106 0.737 1.00 43.42 O ATOM 452 CB LEU A 69 4.313 -0.384 -0.596 1.00 50.04 C ATOM 453 CG LEU A 69 2.961 -0.750 0.016 1.00 54.33 C ATOM 454 CD1 LEU A 69 3.150 -1.640 1.235 1.00 42.12 C ATOM 455 CD2 LEU A 69 2.186 0.507 0.385 1.00 22.34 C ATOM 0 H LEU A 69 4.696 2.055 -0.796 1.00 33.33 H new ATOM 0 HA LEU A 69 5.001 0.200 1.354 1.00 64.03 H new ATOM 0 HB2 LEU A 69 4.135 0.220 -1.486 1.00 50.04 H new ATOM 0 HB3 LEU A 69 4.800 -1.302 -0.926 1.00 50.04 H new ATOM 0 HG LEU A 69 2.385 -1.303 -0.726 1.00 54.33 H new ATOM 0 HD11 LEU A 69 2.177 -1.890 1.657 1.00 42.12 H new ATOM 0 HD12 LEU A 69 3.664 -2.555 0.941 1.00 42.12 H new ATOM 0 HD13 LEU A 69 3.745 -1.113 1.981 1.00 42.12 H new ATOM 0 HD21 LEU A 69 1.226 0.228 0.819 1.00 22.34 H new ATOM 0 HD22 LEU A 69 2.757 1.087 1.110 1.00 22.34 H new ATOM 0 HD23 LEU A 69 2.019 1.107 -0.509 1.00 22.34 H new ATOM 467 N GLN A 70 7.437 0.522 -0.784 1.00 54.20 N ATOM 468 CA GLN A 70 8.812 0.135 -1.075 1.00 64.15 C ATOM 469 C GLN A 70 9.744 0.538 0.062 1.00 34.13 C ATOM 470 O GLN A 70 10.806 -0.057 0.250 1.00 52.42 O ATOM 471 CB GLN A 70 9.279 0.776 -2.383 1.00 75.22 C ATOM 472 CG GLN A 70 10.763 0.594 -2.654 1.00 65.24 C ATOM 473 CD GLN A 70 11.152 -0.862 -2.825 1.00 12.11 C ATOM 474 OE1 GLN A 70 11.841 -1.436 -1.981 1.00 41.34 O ATOM 475 NE2 GLN A 70 10.710 -1.468 -3.920 1.00 75.02 N ATOM 0 H GLN A 70 7.104 1.326 -1.316 1.00 54.20 H new ATOM 0 HA GLN A 70 8.842 -0.950 -1.178 1.00 64.15 H new ATOM 0 HB2 GLN A 70 8.712 0.348 -3.210 1.00 75.22 H new ATOM 0 HB3 GLN A 70 9.051 1.842 -2.357 1.00 75.22 H new ATOM 0 HG2 GLN A 70 11.034 1.146 -3.554 1.00 65.24 H new ATOM 0 HG3 GLN A 70 11.334 1.024 -1.831 1.00 65.24 H new ATOM 0 HE21 GLN A 70 10.142 -0.954 -4.593 1.00 75.02 H new ATOM 0 HE22 GLN A 70 10.939 -2.448 -4.088 1.00 75.02 H new ATOM 484 N LYS A 71 9.340 1.552 0.821 1.00 74.21 N ATOM 485 CA LYS A 71 10.137 2.035 1.941 1.00 2.22 C ATOM 486 C LYS A 71 9.675 1.403 3.250 1.00 13.34 C ATOM 487 O LYS A 71 10.468 1.215 4.175 1.00 53.34 O ATOM 488 CB LYS A 71 10.046 3.560 2.040 1.00 71.55 C ATOM 489 CG LYS A 71 10.513 4.278 0.785 1.00 50.01 C ATOM 490 CD LYS A 71 12.029 4.365 0.723 1.00 13.02 C ATOM 491 CE LYS A 71 12.502 4.913 -0.615 1.00 33.35 C ATOM 492 NZ LYS A 71 12.598 6.398 -0.603 1.00 44.13 N ATOM 0 H LYS A 71 8.464 2.055 0.680 1.00 74.21 H new ATOM 0 HA LYS A 71 11.174 1.750 1.765 1.00 2.22 H new ATOM 0 HB2 LYS A 71 9.014 3.842 2.247 1.00 71.55 H new ATOM 0 HB3 LYS A 71 10.645 3.898 2.886 1.00 71.55 H new ATOM 0 HG2 LYS A 71 10.142 3.753 -0.095 1.00 50.01 H new ATOM 0 HG3 LYS A 71 10.089 5.282 0.760 1.00 50.01 H new ATOM 0 HD2 LYS A 71 12.391 5.005 1.528 1.00 13.02 H new ATOM 0 HD3 LYS A 71 12.458 3.376 0.885 1.00 13.02 H new ATOM 0 HE2 LYS A 71 13.476 4.488 -0.858 1.00 33.35 H new ATOM 0 HE3 LYS A 71 11.813 4.600 -1.400 1.00 33.35 H new ATOM 0 HZ1 LYS A 71 12.923 6.732 -1.532 1.00 44.13 H new ATOM 0 HZ2 LYS A 71 11.663 6.805 -0.397 1.00 44.13 H new ATOM 0 HZ3 LYS A 71 13.274 6.696 0.128 1.00 44.13 H new ATOM 506 N LEU A 72 8.389 1.075 3.322 1.00 3.32 N ATOM 507 CA LEU A 72 7.823 0.462 4.518 1.00 14.24 C ATOM 508 C LEU A 72 7.951 -1.057 4.465 1.00 11.11 C ATOM 509 O LEU A 72 8.538 -1.671 5.354 1.00 60.53 O ATOM 510 CB LEU A 72 6.351 0.855 4.668 1.00 2.24 C ATOM 511 CG LEU A 72 6.076 2.140 5.453 1.00 64.45 C ATOM 512 CD1 LEU A 72 6.800 3.318 4.817 1.00 32.51 C ATOM 513 CD2 LEU A 72 4.581 2.408 5.528 1.00 73.20 C ATOM 0 H LEU A 72 7.720 1.223 2.567 1.00 3.32 H new ATOM 0 HA LEU A 72 8.381 0.825 5.381 1.00 14.24 H new ATOM 0 HB2 LEU A 72 5.921 0.962 3.672 1.00 2.24 H new ATOM 0 HB3 LEU A 72 5.824 0.035 5.156 1.00 2.24 H new ATOM 0 HG LEU A 72 6.453 2.012 6.468 1.00 64.45 H new ATOM 0 HD11 LEU A 72 6.593 4.223 5.388 1.00 32.51 H new ATOM 0 HD12 LEU A 72 7.873 3.127 4.815 1.00 32.51 H new ATOM 0 HD13 LEU A 72 6.453 3.448 3.792 1.00 32.51 H new ATOM 0 HD21 LEU A 72 4.404 3.325 6.090 1.00 73.20 H new ATOM 0 HD22 LEU A 72 4.180 2.516 4.520 1.00 73.20 H new ATOM 0 HD23 LEU A 72 4.087 1.575 6.028 1.00 73.20 H new ATOM 525 N GLY A 73 7.400 -1.656 3.414 1.00 71.32 N ATOM 526 CA GLY A 73 7.465 -3.098 3.263 1.00 44.13 C ATOM 527 C GLY A 73 6.189 -3.786 3.704 1.00 25.43 C ATOM 528 O GLY A 73 5.090 -3.309 3.425 1.00 33.31 O ATOM 0 H GLY A 73 6.910 -1.168 2.664 1.00 71.32 H new ATOM 0 HA2 GLY A 73 7.664 -3.342 2.219 1.00 44.13 H new ATOM 0 HA3 GLY A 73 8.302 -3.484 3.845 1.00 44.13 H new ATOM 532 N VAL A 74 6.335 -4.912 4.396 1.00 73.10 N ATOM 533 CA VAL A 74 5.185 -5.669 4.878 1.00 54.54 C ATOM 534 C VAL A 74 4.885 -5.342 6.336 1.00 71.21 C ATOM 535 O VAL A 74 3.774 -5.572 6.817 1.00 45.34 O ATOM 536 CB VAL A 74 5.412 -7.185 4.737 1.00 73.30 C ATOM 537 CG1 VAL A 74 4.163 -7.951 5.143 1.00 34.42 C ATOM 538 CG2 VAL A 74 5.821 -7.533 3.314 1.00 3.54 C ATOM 0 H VAL A 74 7.239 -5.320 4.635 1.00 73.10 H new ATOM 0 HA VAL A 74 4.334 -5.379 4.262 1.00 54.54 H new ATOM 0 HB VAL A 74 6.222 -7.477 5.405 1.00 73.30 H new ATOM 0 HG11 VAL A 74 4.342 -9.021 5.037 1.00 34.42 H new ATOM 0 HG12 VAL A 74 3.919 -7.725 6.181 1.00 34.42 H new ATOM 0 HG13 VAL A 74 3.332 -7.657 4.502 1.00 34.42 H new ATOM 0 HG21 VAL A 74 5.977 -8.609 3.233 1.00 3.54 H new ATOM 0 HG22 VAL A 74 5.034 -7.228 2.624 1.00 3.54 H new ATOM 0 HG23 VAL A 74 6.745 -7.012 3.063 1.00 3.54 H new ATOM 548 N GLN A 75 5.880 -4.807 7.034 1.00 21.32 N ATOM 549 CA GLN A 75 5.722 -4.450 8.440 1.00 61.54 C ATOM 550 C GLN A 75 4.725 -3.308 8.601 1.00 3.43 C ATOM 551 O GLN A 75 4.166 -3.108 9.679 1.00 11.35 O ATOM 552 CB GLN A 75 7.071 -4.055 9.042 1.00 24.34 C ATOM 553 CG GLN A 75 7.638 -2.765 8.471 1.00 31.12 C ATOM 554 CD GLN A 75 8.968 -2.386 9.093 1.00 32.24 C ATOM 555 OE1 GLN A 75 9.097 -2.318 10.317 1.00 72.13 O ATOM 556 NE2 GLN A 75 9.965 -2.137 8.254 1.00 40.52 N ATOM 0 H GLN A 75 6.804 -4.611 6.650 1.00 21.32 H new ATOM 0 HA GLN A 75 5.338 -5.321 8.970 1.00 61.54 H new ATOM 0 HB2 GLN A 75 6.960 -3.947 10.121 1.00 24.34 H new ATOM 0 HB3 GLN A 75 7.785 -4.862 8.874 1.00 24.34 H new ATOM 0 HG2 GLN A 75 7.763 -2.873 7.394 1.00 31.12 H new ATOM 0 HG3 GLN A 75 6.924 -1.957 8.630 1.00 31.12 H new ATOM 0 HE21 GLN A 75 9.814 -2.205 7.248 1.00 40.52 H new ATOM 0 HE22 GLN A 75 10.883 -1.877 8.615 1.00 40.52 H new ATOM 565 N ALA A 76 4.508 -2.561 7.524 1.00 71.23 N ATOM 566 CA ALA A 76 3.577 -1.439 7.547 1.00 60.12 C ATOM 567 C ALA A 76 2.220 -1.863 8.101 1.00 41.13 C ATOM 568 O ALA A 76 1.956 -3.052 8.280 1.00 13.40 O ATOM 569 CB ALA A 76 3.420 -0.856 6.150 1.00 0.45 C ATOM 0 H ALA A 76 4.964 -2.712 6.624 1.00 71.23 H new ATOM 0 HA ALA A 76 3.986 -0.672 8.205 1.00 60.12 H new ATOM 0 HB1 ALA A 76 2.722 -0.019 6.181 1.00 0.45 H new ATOM 0 HB2 ALA A 76 4.388 -0.508 5.790 1.00 0.45 H new ATOM 0 HB3 ALA A 76 3.037 -1.623 5.477 1.00 0.45 H new ATOM 575 N ASP A 77 1.365 -0.883 8.370 1.00 21.45 N ATOM 576 CA ASP A 77 0.035 -1.154 8.904 1.00 23.21 C ATOM 577 C ASP A 77 -1.027 -0.373 8.139 1.00 53.54 C ATOM 578 O ASP A 77 -0.723 0.607 7.456 1.00 61.23 O ATOM 579 CB ASP A 77 -0.023 -0.798 10.390 1.00 34.21 C ATOM 580 CG ASP A 77 1.292 -1.052 11.099 1.00 25.24 C ATOM 581 OD1 ASP A 77 1.780 -2.201 11.052 1.00 33.03 O ATOM 582 OD2 ASP A 77 1.834 -0.101 11.700 1.00 22.24 O ATOM 0 H ASP A 77 1.569 0.106 8.227 1.00 21.45 H new ATOM 0 HA ASP A 77 -0.168 -2.218 8.785 1.00 23.21 H new ATOM 0 HB2 ASP A 77 -0.294 0.252 10.498 1.00 34.21 H new ATOM 0 HB3 ASP A 77 -0.809 -1.381 10.870 1.00 34.21 H new ATOM 588 N THR A 78 -2.277 -0.811 8.254 1.00 30.23 N ATOM 589 CA THR A 78 -3.384 -0.154 7.573 1.00 72.32 C ATOM 590 C THR A 78 -3.394 1.343 7.856 1.00 72.21 C ATOM 591 O THR A 78 -3.826 2.139 7.023 1.00 74.12 O ATOM 592 CB THR A 78 -4.739 -0.754 7.994 1.00 71.43 C ATOM 593 OG1 THR A 78 -4.770 -2.154 7.694 1.00 55.23 O ATOM 594 CG2 THR A 78 -5.886 -0.053 7.283 1.00 52.01 C ATOM 0 H THR A 78 -2.547 -1.620 8.814 1.00 30.23 H new ATOM 0 HA THR A 78 -3.239 -0.318 6.505 1.00 72.32 H new ATOM 0 HB THR A 78 -4.856 -0.610 9.068 1.00 71.43 H new ATOM 0 HG1 THR A 78 -5.634 -2.528 7.966 1.00 55.23 H new ATOM 0 HG21 THR A 78 -6.832 -0.494 7.596 1.00 52.01 H new ATOM 0 HG22 THR A 78 -5.878 1.007 7.537 1.00 52.01 H new ATOM 0 HG23 THR A 78 -5.771 -0.169 6.205 1.00 52.01 H new ATOM 602 N ASN A 79 -2.915 1.720 9.037 1.00 54.34 N ATOM 603 CA ASN A 79 -2.869 3.124 9.429 1.00 64.20 C ATOM 604 C ASN A 79 -1.630 3.808 8.859 1.00 4.14 C ATOM 605 O ASN A 79 -1.710 4.911 8.316 1.00 5.02 O ATOM 606 CB ASN A 79 -2.878 3.248 10.955 1.00 44.52 C ATOM 607 CG ASN A 79 -2.988 4.689 11.416 1.00 0.50 C ATOM 608 OD1 ASN A 79 -2.098 5.503 11.165 1.00 72.32 O ATOM 609 ND2 ASN A 79 -4.083 5.011 12.095 1.00 65.21 N ATOM 0 H ASN A 79 -2.554 1.074 9.738 1.00 54.34 H new ATOM 0 HA ASN A 79 -3.752 3.618 9.025 1.00 64.20 H new ATOM 0 HB2 ASN A 79 -3.713 2.675 11.359 1.00 44.52 H new ATOM 0 HB3 ASN A 79 -1.966 2.809 11.358 1.00 44.52 H new ATOM 0 HD21 ASN A 79 -4.212 5.965 12.431 1.00 65.21 H new ATOM 0 HD22 ASN A 79 -4.795 4.304 12.280 1.00 65.21 H new ATOM 616 N THR A 80 -0.484 3.146 8.986 1.00 44.22 N ATOM 617 CA THR A 80 0.772 3.689 8.484 1.00 2.13 C ATOM 618 C THR A 80 0.644 4.115 7.026 1.00 30.02 C ATOM 619 O THR A 80 1.015 5.229 6.659 1.00 3.42 O ATOM 620 CB THR A 80 1.917 2.666 8.610 1.00 1.12 C ATOM 621 OG1 THR A 80 1.829 1.985 9.868 1.00 44.35 O ATOM 622 CG2 THR A 80 3.270 3.351 8.492 1.00 3.43 C ATOM 0 H THR A 80 -0.400 2.233 9.432 1.00 44.22 H new ATOM 0 HA THR A 80 1.005 4.561 9.095 1.00 2.13 H new ATOM 0 HB THR A 80 1.821 1.944 7.799 1.00 1.12 H new ATOM 0 HG1 THR A 80 2.466 1.240 9.882 1.00 44.35 H new ATOM 0 HG21 THR A 80 4.063 2.609 8.584 1.00 3.43 H new ATOM 0 HG22 THR A 80 3.345 3.844 7.523 1.00 3.43 H new ATOM 0 HG23 THR A 80 3.373 4.092 9.285 1.00 3.43 H new ATOM 630 N VAL A 81 0.116 3.220 6.198 1.00 74.51 N ATOM 631 CA VAL A 81 -0.063 3.503 4.779 1.00 51.04 C ATOM 632 C VAL A 81 -0.801 4.821 4.570 1.00 34.34 C ATOM 633 O VAL A 81 -0.349 5.687 3.820 1.00 31.42 O ATOM 634 CB VAL A 81 -0.841 2.375 4.075 1.00 14.03 C ATOM 635 CG1 VAL A 81 -0.902 2.624 2.575 1.00 31.42 C ATOM 636 CG2 VAL A 81 -0.207 1.025 4.375 1.00 73.15 C ATOM 0 H VAL A 81 -0.196 2.292 6.485 1.00 74.51 H new ATOM 0 HA VAL A 81 0.933 3.574 4.343 1.00 51.04 H new ATOM 0 HB VAL A 81 -1.861 2.365 4.459 1.00 14.03 H new ATOM 0 HG11 VAL A 81 -1.455 1.817 2.094 1.00 31.42 H new ATOM 0 HG12 VAL A 81 -1.404 3.572 2.384 1.00 31.42 H new ATOM 0 HG13 VAL A 81 0.110 2.661 2.171 1.00 31.42 H new ATOM 0 HG21 VAL A 81 -0.769 0.239 3.870 1.00 73.15 H new ATOM 0 HG22 VAL A 81 0.823 1.020 4.020 1.00 73.15 H new ATOM 0 HG23 VAL A 81 -0.221 0.847 5.450 1.00 73.15 H new ATOM 646 N LEU A 82 -1.939 4.967 5.239 1.00 33.24 N ATOM 647 CA LEU A 82 -2.741 6.180 5.129 1.00 55.33 C ATOM 648 C LEU A 82 -1.933 7.407 5.538 1.00 43.24 C ATOM 649 O LEU A 82 -1.836 8.378 4.787 1.00 34.44 O ATOM 650 CB LEU A 82 -3.994 6.069 6.000 1.00 13.33 C ATOM 651 CG LEU A 82 -4.918 4.889 5.699 1.00 60.43 C ATOM 652 CD1 LEU A 82 -5.616 4.419 6.967 1.00 63.14 C ATOM 653 CD2 LEU A 82 -5.938 5.267 4.635 1.00 34.15 C ATOM 0 H LEU A 82 -2.327 4.260 5.864 1.00 33.24 H new ATOM 0 HA LEU A 82 -3.039 6.294 4.087 1.00 55.33 H new ATOM 0 HB2 LEU A 82 -3.683 6.004 7.043 1.00 13.33 H new ATOM 0 HB3 LEU A 82 -4.568 6.990 5.895 1.00 13.33 H new ATOM 0 HG LEU A 82 -4.312 4.067 5.317 1.00 60.43 H new ATOM 0 HD11 LEU A 82 -6.269 3.579 6.733 1.00 63.14 H new ATOM 0 HD12 LEU A 82 -4.871 4.106 7.698 1.00 63.14 H new ATOM 0 HD13 LEU A 82 -6.209 5.235 7.380 1.00 63.14 H new ATOM 0 HD21 LEU A 82 -6.587 4.415 4.434 1.00 34.15 H new ATOM 0 HD22 LEU A 82 -6.539 6.105 4.988 1.00 34.15 H new ATOM 0 HD23 LEU A 82 -5.420 5.553 3.719 1.00 34.15 H new ATOM 665 N GLY A 83 -1.349 7.356 6.732 1.00 72.53 N ATOM 666 CA GLY A 83 -0.554 8.467 7.218 1.00 10.02 C ATOM 667 C GLY A 83 0.508 8.899 6.225 1.00 22.12 C ATOM 668 O GLY A 83 0.772 10.090 6.069 1.00 22.13 O ATOM 0 H GLY A 83 -1.413 6.564 7.371 1.00 72.53 H new ATOM 0 HA2 GLY A 83 -1.209 9.311 7.435 1.00 10.02 H new ATOM 0 HA3 GLY A 83 -0.076 8.185 8.156 1.00 10.02 H new ATOM 672 N GLU A 84 1.118 7.927 5.554 1.00 4.04 N ATOM 673 CA GLU A 84 2.159 8.213 4.574 1.00 4.41 C ATOM 674 C GLU A 84 1.624 9.105 3.457 1.00 63.20 C ATOM 675 O GLU A 84 2.311 10.014 2.990 1.00 71.30 O ATOM 676 CB GLU A 84 2.708 6.912 3.985 1.00 4.24 C ATOM 677 CG GLU A 84 3.507 6.084 4.978 1.00 44.24 C ATOM 678 CD GLU A 84 4.929 6.586 5.145 1.00 54.11 C ATOM 679 OE1 GLU A 84 5.826 6.068 4.449 1.00 50.00 O ATOM 680 OE2 GLU A 84 5.143 7.497 5.973 1.00 55.11 O ATOM 0 H GLU A 84 0.909 6.935 5.671 1.00 4.04 H new ATOM 0 HA GLU A 84 2.966 8.741 5.082 1.00 4.41 H new ATOM 0 HB2 GLU A 84 1.877 6.313 3.611 1.00 4.24 H new ATOM 0 HB3 GLU A 84 3.341 7.149 3.130 1.00 4.24 H new ATOM 0 HG2 GLU A 84 3.004 6.099 5.945 1.00 44.24 H new ATOM 0 HG3 GLU A 84 3.529 5.046 4.646 1.00 44.24 H new ATOM 688 N LEU A 85 0.393 8.836 3.034 1.00 5.53 N ATOM 689 CA LEU A 85 -0.236 9.614 1.971 1.00 65.43 C ATOM 690 C LEU A 85 -0.810 10.917 2.516 1.00 34.11 C ATOM 691 O LEU A 85 -0.850 11.930 1.818 1.00 42.04 O ATOM 692 CB LEU A 85 -1.341 8.795 1.301 1.00 42.42 C ATOM 693 CG LEU A 85 -1.005 7.336 0.996 1.00 32.54 C ATOM 694 CD1 LEU A 85 -2.269 6.553 0.672 1.00 1.51 C ATOM 695 CD2 LEU A 85 -0.010 7.245 -0.152 1.00 12.24 C ATOM 0 H LEU A 85 -0.188 8.087 3.410 1.00 5.53 H new ATOM 0 HA LEU A 85 0.527 9.858 1.231 1.00 65.43 H new ATOM 0 HB2 LEU A 85 -2.222 8.817 1.943 1.00 42.42 H new ATOM 0 HB3 LEU A 85 -1.614 9.287 0.367 1.00 42.42 H new ATOM 0 HG LEU A 85 -0.547 6.897 1.882 1.00 32.54 H new ATOM 0 HD11 LEU A 85 -2.010 5.516 0.458 1.00 1.51 H new ATOM 0 HD12 LEU A 85 -2.948 6.589 1.524 1.00 1.51 H new ATOM 0 HD13 LEU A 85 -2.756 6.993 -0.198 1.00 1.51 H new ATOM 0 HD21 LEU A 85 0.217 6.198 -0.355 1.00 12.24 H new ATOM 0 HD22 LEU A 85 -0.440 7.702 -1.043 1.00 12.24 H new ATOM 0 HD23 LEU A 85 0.907 7.769 0.118 1.00 12.24 H new ATOM 707 N VAL A 86 -1.253 10.884 3.769 1.00 62.34 N ATOM 708 CA VAL A 86 -1.823 12.063 4.409 1.00 25.14 C ATOM 709 C VAL A 86 -0.838 13.228 4.393 1.00 71.42 C ATOM 710 O VAL A 86 -1.200 14.356 4.057 1.00 61.23 O ATOM 711 CB VAL A 86 -2.229 11.770 5.866 1.00 41.43 C ATOM 712 CG1 VAL A 86 -2.775 13.024 6.531 1.00 12.20 C ATOM 713 CG2 VAL A 86 -3.248 10.642 5.918 1.00 1.33 C ATOM 0 H VAL A 86 -1.228 10.053 4.361 1.00 62.34 H new ATOM 0 HA VAL A 86 -2.712 12.334 3.839 1.00 25.14 H new ATOM 0 HB VAL A 86 -1.342 11.454 6.415 1.00 41.43 H new ATOM 0 HG11 VAL A 86 -3.056 12.797 7.559 1.00 12.20 H new ATOM 0 HG12 VAL A 86 -2.010 13.801 6.527 1.00 12.20 H new ATOM 0 HG13 VAL A 86 -3.650 13.374 5.984 1.00 12.20 H new ATOM 0 HG21 VAL A 86 -3.524 10.448 6.955 1.00 1.33 H new ATOM 0 HG22 VAL A 86 -4.136 10.927 5.354 1.00 1.33 H new ATOM 0 HG23 VAL A 86 -2.816 9.741 5.483 1.00 1.33 H new ATOM 723 N LYS A 87 0.409 12.947 4.756 1.00 75.41 N ATOM 724 CA LYS A 87 1.448 13.969 4.781 1.00 34.44 C ATOM 725 C LYS A 87 2.261 13.949 3.490 1.00 11.12 C ATOM 726 O LYS A 87 2.598 14.999 2.942 1.00 4.25 O ATOM 727 CB LYS A 87 2.372 13.756 5.983 1.00 52.35 C ATOM 728 CG LYS A 87 1.682 13.951 7.321 1.00 22.42 C ATOM 729 CD LYS A 87 2.020 15.301 7.932 1.00 22.52 C ATOM 730 CE LYS A 87 1.132 15.610 9.127 1.00 2.24 C ATOM 731 NZ LYS A 87 -0.304 15.697 8.743 1.00 14.33 N ATOM 0 H LYS A 87 0.725 12.019 5.037 1.00 75.41 H new ATOM 0 HA LYS A 87 0.965 14.942 4.870 1.00 34.44 H new ATOM 0 HB2 LYS A 87 2.784 12.748 5.940 1.00 52.35 H new ATOM 0 HB3 LYS A 87 3.212 14.447 5.912 1.00 52.35 H new ATOM 0 HG2 LYS A 87 0.603 13.870 7.190 1.00 22.42 H new ATOM 0 HG3 LYS A 87 1.981 13.156 8.005 1.00 22.42 H new ATOM 0 HD2 LYS A 87 3.065 15.310 8.242 1.00 22.52 H new ATOM 0 HD3 LYS A 87 1.904 16.081 7.180 1.00 22.52 H new ATOM 0 HE2 LYS A 87 1.259 14.836 9.884 1.00 2.24 H new ATOM 0 HE3 LYS A 87 1.445 16.552 9.578 1.00 2.24 H new ATOM 0 HZ1 LYS A 87 -0.823 16.240 9.462 1.00 14.33 H new ATOM 0 HZ2 LYS A 87 -0.389 16.172 7.822 1.00 14.33 H new ATOM 0 HZ3 LYS A 87 -0.704 14.739 8.677 1.00 14.33 H new ATOM 745 N HIS A 88 2.571 12.750 3.009 1.00 21.15 N ATOM 746 CA HIS A 88 3.344 12.594 1.782 1.00 13.41 C ATOM 747 C HIS A 88 2.462 12.083 0.646 1.00 23.03 C ATOM 748 O HIS A 88 2.723 11.027 0.073 1.00 70.52 O ATOM 749 CB HIS A 88 4.513 11.635 2.008 1.00 32.01 C ATOM 750 CG HIS A 88 5.700 11.923 1.140 1.00 34.43 C ATOM 751 ND1 HIS A 88 6.996 11.898 1.608 1.00 21.02 N ATOM 752 CD2 HIS A 88 5.780 12.242 -0.172 1.00 62.40 C ATOM 753 CE1 HIS A 88 7.823 12.191 0.620 1.00 21.41 C ATOM 754 NE2 HIS A 88 7.110 12.403 -0.471 1.00 25.11 N ATOM 0 H HIS A 88 2.299 11.872 3.450 1.00 21.15 H new ATOM 0 HA HIS A 88 3.736 13.572 1.502 1.00 13.41 H new ATOM 0 HB2 HIS A 88 4.817 11.686 3.054 1.00 32.01 H new ATOM 0 HB3 HIS A 88 4.177 10.615 1.823 1.00 32.01 H new ATOM 0 HD2 HIS A 88 4.952 12.350 -0.857 1.00 62.40 H new ATOM 0 HE1 HIS A 88 8.899 12.247 0.692 1.00 21.41 H new ATOM 0 HE2 HIS A 88 7.486 12.647 -1.387 1.00 25.11 H new ATOM 763 N GLY A 89 1.417 12.840 0.329 1.00 55.11 N ATOM 764 CA GLY A 89 0.512 12.447 -0.736 1.00 2.13 C ATOM 765 C GLY A 89 0.669 13.304 -1.977 1.00 34.44 C ATOM 766 O GLY A 89 0.156 14.422 -2.035 1.00 72.12 O ATOM 0 H GLY A 89 1.180 13.718 0.790 1.00 55.11 H new ATOM 0 HA2 GLY A 89 0.691 11.403 -0.994 1.00 2.13 H new ATOM 0 HA3 GLY A 89 -0.516 12.515 -0.379 1.00 2.13 H new TER 770 GLY A 89