USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=11 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 X(o=0,f=-0.0089) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 44:sc= -0.191 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 161:sc=-0.00129 (180deg=-0.546) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0598 (180deg=-0.311) 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= 0.00427 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00588 X(o=-0.0059,f=-0.0097) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.5) USER MOD Single : A 80 THR OG1 : rot -142:sc= 0.227 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -11.625 -22.700 -7.507 1.00 12.35 N ATOM 2 CA GLY A 41 -10.878 -21.466 -7.658 1.00 1.43 C ATOM 3 C GLY A 41 -9.458 -21.580 -7.138 1.00 72.34 C ATOM 4 O GLY A 41 -9.098 -22.544 -6.462 1.00 32.45 O ATOM 0 HA2 GLY A 41 -10.855 -21.186 -8.711 1.00 1.43 H new ATOM 0 HA3 GLY A 41 -11.393 -20.666 -7.127 1.00 1.43 H new ATOM 8 N PRO A 42 -8.624 -20.579 -7.458 1.00 71.52 N ATOM 9 CA PRO A 42 -7.223 -20.550 -7.030 1.00 42.21 C ATOM 10 C PRO A 42 -7.079 -20.321 -5.529 1.00 72.41 C ATOM 11 O PRO A 42 -7.727 -19.441 -4.961 1.00 64.21 O ATOM 12 CB PRO A 42 -6.639 -19.369 -7.809 1.00 65.33 C ATOM 13 CG PRO A 42 -7.805 -18.485 -8.087 1.00 11.20 C ATOM 14 CD PRO A 42 -8.985 -19.399 -8.261 1.00 32.31 C ATOM 0 HA PRO A 42 -6.719 -21.497 -7.222 1.00 42.21 H new ATOM 0 HB2 PRO A 42 -5.878 -18.849 -7.228 1.00 65.33 H new ATOM 0 HB3 PRO A 42 -6.164 -19.700 -8.733 1.00 65.33 H new ATOM 0 HG2 PRO A 42 -7.970 -17.787 -7.266 1.00 11.20 H new ATOM 0 HG3 PRO A 42 -7.638 -17.889 -8.984 1.00 11.20 H new ATOM 0 HD2 PRO A 42 -9.906 -18.938 -7.906 1.00 32.31 H new ATOM 0 HD3 PRO A 42 -9.142 -19.658 -9.308 1.00 32.31 H new ATOM 22 N HIS A 43 -6.227 -21.118 -4.892 1.00 21.23 N ATOM 23 CA HIS A 43 -5.999 -21.000 -3.456 1.00 24.50 C ATOM 24 C HIS A 43 -4.715 -20.227 -3.172 1.00 43.22 C ATOM 25 O HIS A 43 -3.907 -20.630 -2.337 1.00 21.25 O ATOM 26 CB HIS A 43 -5.924 -22.387 -2.815 1.00 70.23 C ATOM 27 CG HIS A 43 -7.222 -23.133 -2.851 1.00 44.11 C ATOM 28 ND1 HIS A 43 -7.322 -24.450 -3.249 1.00 31.34 N ATOM 29 CD2 HIS A 43 -8.478 -22.741 -2.534 1.00 2.04 C ATOM 30 CE1 HIS A 43 -8.584 -24.835 -3.176 1.00 41.33 C ATOM 31 NE2 HIS A 43 -9.306 -23.816 -2.744 1.00 72.30 N ATOM 0 H HIS A 43 -5.684 -21.852 -5.347 1.00 21.23 H new ATOM 0 HA HIS A 43 -6.836 -20.452 -3.024 1.00 24.50 H new ATOM 0 HB2 HIS A 43 -5.162 -22.975 -3.327 1.00 70.23 H new ATOM 0 HB3 HIS A 43 -5.603 -22.283 -1.779 1.00 70.23 H new ATOM 0 HD2 HIS A 43 -8.774 -21.764 -2.181 1.00 2.04 H new ATOM 0 HE1 HIS A 43 -8.961 -25.815 -3.427 1.00 41.33 H new ATOM 0 HE2 HIS A 43 -10.314 -23.826 -2.591 1.00 72.30 H new ATOM 40 N MET A 44 -4.534 -19.113 -3.874 1.00 64.03 N ATOM 41 CA MET A 44 -3.347 -18.282 -3.696 1.00 75.34 C ATOM 42 C MET A 44 -3.716 -16.802 -3.692 1.00 12.12 C ATOM 43 O MET A 44 -4.191 -16.266 -4.693 1.00 61.22 O ATOM 44 CB MET A 44 -2.332 -18.563 -4.805 1.00 42.12 C ATOM 45 CG MET A 44 -1.102 -17.670 -4.743 1.00 61.42 C ATOM 46 SD MET A 44 0.353 -18.441 -5.479 1.00 23.33 S ATOM 47 CE MET A 44 -0.010 -18.253 -7.222 1.00 42.21 C ATOM 0 H MET A 44 -5.193 -18.765 -4.571 1.00 64.03 H new ATOM 0 HA MET A 44 -2.901 -18.530 -2.733 1.00 75.34 H new ATOM 0 HB2 MET A 44 -2.018 -19.605 -4.744 1.00 42.12 H new ATOM 0 HB3 MET A 44 -2.817 -18.433 -5.772 1.00 42.12 H new ATOM 0 HG2 MET A 44 -1.312 -16.733 -5.258 1.00 61.42 H new ATOM 0 HG3 MET A 44 -0.890 -17.421 -3.703 1.00 61.42 H new ATOM 0 HE1 MET A 44 0.800 -18.683 -7.811 1.00 42.21 H new ATOM 0 HE2 MET A 44 -0.942 -18.767 -7.457 1.00 42.21 H new ATOM 0 HE3 MET A 44 -0.110 -17.194 -7.461 1.00 42.21 H new ATOM 57 N THR A 45 -3.496 -16.146 -2.556 1.00 41.11 N ATOM 58 CA THR A 45 -3.807 -14.729 -2.420 1.00 42.11 C ATOM 59 C THR A 45 -2.537 -13.902 -2.245 1.00 53.44 C ATOM 60 O THR A 45 -1.800 -14.077 -1.276 1.00 20.12 O ATOM 61 CB THR A 45 -4.742 -14.471 -1.224 1.00 50.35 C ATOM 62 OG1 THR A 45 -5.962 -15.204 -1.389 1.00 42.12 O ATOM 63 CG2 THR A 45 -5.052 -12.987 -1.090 1.00 4.34 C ATOM 0 H THR A 45 -3.104 -16.574 -1.717 1.00 41.11 H new ATOM 0 HA THR A 45 -4.311 -14.427 -3.338 1.00 42.11 H new ATOM 0 HB THR A 45 -4.237 -14.805 -0.318 1.00 50.35 H new ATOM 0 HG1 THR A 45 -6.551 -15.036 -0.624 1.00 42.12 H new ATOM 0 HG21 THR A 45 -5.714 -12.829 -0.239 1.00 4.34 H new ATOM 0 HG22 THR A 45 -4.125 -12.434 -0.937 1.00 4.34 H new ATOM 0 HG23 THR A 45 -5.539 -12.634 -1.999 1.00 4.34 H new ATOM 71 N SER A 46 -2.289 -13.000 -3.189 1.00 54.14 N ATOM 72 CA SER A 46 -1.107 -12.148 -3.141 1.00 11.31 C ATOM 73 C SER A 46 -1.363 -10.912 -2.283 1.00 60.40 C ATOM 74 O SER A 46 -1.659 -9.835 -2.800 1.00 62.30 O ATOM 75 CB SER A 46 -0.699 -11.726 -4.554 1.00 42.22 C ATOM 76 OG SER A 46 -1.802 -11.194 -5.267 1.00 12.23 O ATOM 0 H SER A 46 -2.891 -12.840 -3.997 1.00 54.14 H new ATOM 0 HA SER A 46 -0.295 -12.720 -2.691 1.00 11.31 H new ATOM 0 HB2 SER A 46 0.095 -10.982 -4.499 1.00 42.22 H new ATOM 0 HB3 SER A 46 -0.295 -12.584 -5.091 1.00 42.22 H new ATOM 0 HG SER A 46 -2.309 -10.591 -4.684 1.00 12.23 H new ATOM 82 N GLU A 47 -1.246 -11.078 -0.970 1.00 15.05 N ATOM 83 CA GLU A 47 -1.465 -9.977 -0.039 1.00 55.15 C ATOM 84 C GLU A 47 -0.596 -8.776 -0.402 1.00 34.41 C ATOM 85 O GLU A 47 -1.073 -7.642 -0.453 1.00 20.33 O ATOM 86 CB GLU A 47 -1.166 -10.423 1.394 1.00 2.01 C ATOM 87 CG GLU A 47 -1.668 -9.453 2.450 1.00 3.13 C ATOM 88 CD GLU A 47 -3.175 -9.298 2.432 1.00 35.11 C ATOM 89 OE1 GLU A 47 -3.653 -8.144 2.454 1.00 32.32 O ATOM 90 OE2 GLU A 47 -3.878 -10.330 2.397 1.00 72.13 O ATOM 0 H GLU A 47 -1.001 -11.963 -0.527 1.00 15.05 H new ATOM 0 HA GLU A 47 -2.512 -9.680 -0.108 1.00 55.15 H new ATOM 0 HB2 GLU A 47 -1.620 -11.399 1.564 1.00 2.01 H new ATOM 0 HB3 GLU A 47 -0.089 -10.548 1.510 1.00 2.01 H new ATOM 0 HG2 GLU A 47 -1.354 -9.800 3.435 1.00 3.13 H new ATOM 0 HG3 GLU A 47 -1.205 -8.479 2.292 1.00 3.13 H new ATOM 98 N LEU A 48 0.683 -9.034 -0.654 1.00 32.33 N ATOM 99 CA LEU A 48 1.621 -7.977 -1.012 1.00 14.25 C ATOM 100 C LEU A 48 1.103 -7.168 -2.197 1.00 30.52 C ATOM 101 O LEU A 48 1.358 -5.968 -2.301 1.00 31.02 O ATOM 102 CB LEU A 48 2.990 -8.572 -1.345 1.00 35.02 C ATOM 103 CG LEU A 48 2.999 -9.694 -2.383 1.00 53.24 C ATOM 104 CD1 LEU A 48 3.180 -9.125 -3.783 1.00 25.04 C ATOM 105 CD2 LEU A 48 4.093 -10.703 -2.069 1.00 70.52 C ATOM 0 H LEU A 48 1.094 -9.967 -0.617 1.00 32.33 H new ATOM 0 HA LEU A 48 1.721 -7.310 -0.156 1.00 14.25 H new ATOM 0 HB2 LEU A 48 3.636 -7.769 -1.701 1.00 35.02 H new ATOM 0 HB3 LEU A 48 3.432 -8.952 -0.424 1.00 35.02 H new ATOM 0 HG LEU A 48 2.038 -10.207 -2.343 1.00 53.24 H new ATOM 0 HD11 LEU A 48 3.184 -9.938 -4.509 1.00 25.04 H new ATOM 0 HD12 LEU A 48 2.360 -8.443 -4.007 1.00 25.04 H new ATOM 0 HD13 LEU A 48 4.126 -8.586 -3.837 1.00 25.04 H new ATOM 0 HD21 LEU A 48 4.084 -11.494 -2.819 1.00 70.52 H new ATOM 0 HD22 LEU A 48 5.062 -10.204 -2.080 1.00 70.52 H new ATOM 0 HD23 LEU A 48 3.918 -11.135 -1.084 1.00 70.52 H new ATOM 117 N GLN A 49 0.374 -7.833 -3.088 1.00 23.34 N ATOM 118 CA GLN A 49 -0.180 -7.175 -4.265 1.00 34.31 C ATOM 119 C GLN A 49 -1.451 -6.409 -3.912 1.00 63.51 C ATOM 120 O GLN A 49 -1.682 -5.310 -4.413 1.00 12.32 O ATOM 121 CB GLN A 49 -0.478 -8.205 -5.357 1.00 5.31 C ATOM 122 CG GLN A 49 0.684 -8.430 -6.312 1.00 13.41 C ATOM 123 CD GLN A 49 0.774 -7.361 -7.383 1.00 43.52 C ATOM 124 OE1 GLN A 49 0.022 -7.377 -8.358 1.00 52.04 O ATOM 125 NE2 GLN A 49 1.699 -6.424 -7.208 1.00 14.15 N ATOM 0 H GLN A 49 0.154 -8.826 -3.017 1.00 23.34 H new ATOM 0 HA GLN A 49 0.559 -6.465 -4.636 1.00 34.31 H new ATOM 0 HB2 GLN A 49 -0.742 -9.153 -4.889 1.00 5.31 H new ATOM 0 HB3 GLN A 49 -1.348 -7.878 -5.926 1.00 5.31 H new ATOM 0 HG2 GLN A 49 1.615 -8.452 -5.746 1.00 13.41 H new ATOM 0 HG3 GLN A 49 0.576 -9.406 -6.786 1.00 13.41 H new ATOM 0 HE21 GLN A 49 2.301 -6.449 -6.385 1.00 14.15 H new ATOM 0 HE22 GLN A 49 1.807 -5.679 -7.897 1.00 14.15 H new ATOM 134 N MET A 50 -2.271 -6.999 -3.047 1.00 45.24 N ATOM 135 CA MET A 50 -3.518 -6.370 -2.628 1.00 54.14 C ATOM 136 C MET A 50 -3.245 -5.077 -1.865 1.00 73.01 C ATOM 137 O MET A 50 -3.993 -4.106 -1.982 1.00 44.21 O ATOM 138 CB MET A 50 -4.329 -7.330 -1.755 1.00 50.44 C ATOM 139 CG MET A 50 -5.779 -6.909 -1.575 1.00 32.32 C ATOM 140 SD MET A 50 -6.884 -8.313 -1.330 1.00 50.54 S ATOM 141 CE MET A 50 -5.954 -9.271 -0.137 1.00 30.33 C ATOM 0 H MET A 50 -2.094 -7.910 -2.624 1.00 45.24 H new ATOM 0 HA MET A 50 -4.093 -6.129 -3.522 1.00 54.14 H new ATOM 0 HB2 MET A 50 -4.300 -8.325 -2.200 1.00 50.44 H new ATOM 0 HB3 MET A 50 -3.857 -7.405 -0.776 1.00 50.44 H new ATOM 0 HG2 MET A 50 -5.855 -6.238 -0.719 1.00 32.32 H new ATOM 0 HG3 MET A 50 -6.101 -6.346 -2.451 1.00 32.32 H new ATOM 0 HE1 MET A 50 -6.620 -9.973 0.365 1.00 30.33 H new ATOM 0 HE2 MET A 50 -5.165 -9.822 -0.649 1.00 30.33 H new ATOM 0 HE3 MET A 50 -5.510 -8.602 0.600 1.00 30.33 H new ATOM 151 N LYS A 51 -2.171 -5.072 -1.084 1.00 15.23 N ATOM 152 CA LYS A 51 -1.799 -3.899 -0.302 1.00 44.34 C ATOM 153 C LYS A 51 -1.715 -2.659 -1.188 1.00 32.33 C ATOM 154 O LYS A 51 -2.213 -1.592 -0.828 1.00 21.31 O ATOM 155 CB LYS A 51 -0.457 -4.131 0.397 1.00 61.02 C ATOM 156 CG LYS A 51 -0.591 -4.520 1.858 1.00 33.25 C ATOM 157 CD LYS A 51 0.690 -4.250 2.627 1.00 22.42 C ATOM 158 CE LYS A 51 0.460 -4.305 4.130 1.00 5.45 C ATOM 159 NZ LYS A 51 -0.011 -2.998 4.667 1.00 64.32 N ATOM 0 H LYS A 51 -1.542 -5.868 -0.975 1.00 15.23 H new ATOM 0 HA LYS A 51 -2.570 -3.735 0.451 1.00 44.34 H new ATOM 0 HB2 LYS A 51 0.087 -4.915 -0.130 1.00 61.02 H new ATOM 0 HB3 LYS A 51 0.142 -3.223 0.325 1.00 61.02 H new ATOM 0 HG2 LYS A 51 -1.412 -3.963 2.310 1.00 33.25 H new ATOM 0 HG3 LYS A 51 -0.845 -5.577 1.932 1.00 33.25 H new ATOM 0 HD2 LYS A 51 1.446 -4.984 2.346 1.00 22.42 H new ATOM 0 HD3 LYS A 51 1.080 -3.270 2.353 1.00 22.42 H new ATOM 0 HE2 LYS A 51 -0.275 -5.077 4.357 1.00 5.45 H new ATOM 0 HE3 LYS A 51 1.386 -4.590 4.629 1.00 5.45 H new ATOM 0 HZ1 LYS A 51 -0.156 -3.077 5.694 1.00 64.32 H new ATOM 0 HZ2 LYS A 51 0.702 -2.266 4.473 1.00 64.32 H new ATOM 0 HZ3 LYS A 51 -0.908 -2.738 4.210 1.00 64.32 H new ATOM 173 N VAL A 52 -1.084 -2.808 -2.348 1.00 3.11 N ATOM 174 CA VAL A 52 -0.938 -1.701 -3.285 1.00 64.14 C ATOM 175 C VAL A 52 -2.150 -1.595 -4.205 1.00 22.22 C ATOM 176 O VAL A 52 -2.716 -0.517 -4.380 1.00 14.22 O ATOM 177 CB VAL A 52 0.331 -1.856 -4.144 1.00 61.43 C ATOM 178 CG1 VAL A 52 0.573 -0.603 -4.972 1.00 61.40 C ATOM 179 CG2 VAL A 52 1.533 -2.166 -3.265 1.00 44.51 C ATOM 0 H VAL A 52 -0.666 -3.684 -2.661 1.00 3.11 H new ATOM 0 HA VAL A 52 -0.857 -0.792 -2.689 1.00 64.14 H new ATOM 0 HB VAL A 52 0.186 -2.691 -4.829 1.00 61.43 H new ATOM 0 HG11 VAL A 52 1.474 -0.732 -5.572 1.00 61.40 H new ATOM 0 HG12 VAL A 52 -0.279 -0.431 -5.629 1.00 61.40 H new ATOM 0 HG13 VAL A 52 0.698 0.253 -4.309 1.00 61.40 H new ATOM 0 HG21 VAL A 52 2.421 -2.272 -3.888 1.00 44.51 H new ATOM 0 HG22 VAL A 52 1.683 -1.353 -2.554 1.00 44.51 H new ATOM 0 HG23 VAL A 52 1.357 -3.095 -2.722 1.00 44.51 H new ATOM 189 N ASP A 53 -2.542 -2.722 -4.788 1.00 73.41 N ATOM 190 CA ASP A 53 -3.689 -2.758 -5.688 1.00 51.44 C ATOM 191 C ASP A 53 -4.912 -2.120 -5.037 1.00 22.12 C ATOM 192 O ASP A 53 -5.768 -1.556 -5.717 1.00 41.11 O ATOM 193 CB ASP A 53 -4.004 -4.199 -6.091 1.00 61.22 C ATOM 194 CG ASP A 53 -4.767 -4.281 -7.398 1.00 74.43 C ATOM 195 OD1 ASP A 53 -4.247 -3.790 -8.422 1.00 51.21 O ATOM 196 OD2 ASP A 53 -5.885 -4.839 -7.398 1.00 2.34 O ATOM 0 H ASP A 53 -2.083 -3.623 -4.654 1.00 73.41 H new ATOM 0 HA ASP A 53 -3.436 -2.187 -6.581 1.00 51.44 H new ATOM 0 HB2 ASP A 53 -3.074 -4.760 -6.181 1.00 61.22 H new ATOM 0 HB3 ASP A 53 -4.588 -4.674 -5.303 1.00 61.22 H new ATOM 202 N PHE A 54 -4.988 -2.214 -3.713 1.00 60.33 N ATOM 203 CA PHE A 54 -6.106 -1.648 -2.969 1.00 33.43 C ATOM 204 C PHE A 54 -6.156 -0.132 -3.131 1.00 34.31 C ATOM 205 O PHE A 54 -7.023 0.401 -3.826 1.00 21.25 O ATOM 206 CB PHE A 54 -5.996 -2.011 -1.486 1.00 32.12 C ATOM 207 CG PHE A 54 -7.104 -1.444 -0.646 1.00 74.44 C ATOM 208 CD1 PHE A 54 -8.318 -2.105 -0.541 1.00 74.13 C ATOM 209 CD2 PHE A 54 -6.933 -0.253 0.039 1.00 32.25 C ATOM 210 CE1 PHE A 54 -9.341 -1.585 0.230 1.00 71.11 C ATOM 211 CE2 PHE A 54 -7.952 0.272 0.813 1.00 65.33 C ATOM 212 CZ PHE A 54 -9.157 -0.396 0.909 1.00 71.43 C ATOM 0 H PHE A 54 -4.288 -2.677 -3.134 1.00 60.33 H new ATOM 0 HA PHE A 54 -7.027 -2.069 -3.371 1.00 33.43 H new ATOM 0 HB2 PHE A 54 -5.993 -3.096 -1.385 1.00 32.12 H new ATOM 0 HB3 PHE A 54 -5.041 -1.653 -1.103 1.00 32.12 H new ATOM 0 HD1 PHE A 54 -8.466 -3.036 -1.067 1.00 74.13 H new ATOM 0 HD2 PHE A 54 -5.992 0.273 -0.032 1.00 32.25 H new ATOM 0 HE1 PHE A 54 -10.283 -2.108 0.301 1.00 71.11 H new ATOM 0 HE2 PHE A 54 -7.806 1.203 1.341 1.00 65.33 H new ATOM 0 HZ PHE A 54 -9.954 0.010 1.514 1.00 71.43 H new ATOM 222 N PHE A 55 -5.222 0.557 -2.485 1.00 52.50 N ATOM 223 CA PHE A 55 -5.161 2.012 -2.556 1.00 4.33 C ATOM 224 C PHE A 55 -5.100 2.484 -4.006 1.00 1.25 C ATOM 225 O PHE A 55 -5.510 3.600 -4.324 1.00 12.34 O ATOM 226 CB PHE A 55 -3.942 2.529 -1.788 1.00 53.30 C ATOM 227 CG PHE A 55 -4.159 2.609 -0.303 1.00 44.33 C ATOM 228 CD1 PHE A 55 -4.910 3.636 0.246 1.00 33.04 C ATOM 229 CD2 PHE A 55 -3.611 1.658 0.542 1.00 22.30 C ATOM 230 CE1 PHE A 55 -5.110 3.712 1.612 1.00 45.22 C ATOM 231 CE2 PHE A 55 -3.808 1.729 1.908 1.00 22.34 C ATOM 232 CZ PHE A 55 -4.559 2.757 2.444 1.00 71.33 C ATOM 0 H PHE A 55 -4.497 0.132 -1.907 1.00 52.50 H new ATOM 0 HA PHE A 55 -6.067 2.412 -2.100 1.00 4.33 H new ATOM 0 HB2 PHE A 55 -3.092 1.876 -1.988 1.00 53.30 H new ATOM 0 HB3 PHE A 55 -3.679 3.518 -2.163 1.00 53.30 H new ATOM 0 HD1 PHE A 55 -5.344 4.385 -0.400 1.00 33.04 H new ATOM 0 HD2 PHE A 55 -3.023 0.852 0.129 1.00 22.30 H new ATOM 0 HE1 PHE A 55 -5.697 4.518 2.028 1.00 45.22 H new ATOM 0 HE2 PHE A 55 -3.375 0.981 2.556 1.00 22.34 H new ATOM 0 HZ PHE A 55 -4.715 2.814 3.511 1.00 71.33 H new ATOM 242 N ARG A 56 -4.585 1.626 -4.880 1.00 63.01 N ATOM 243 CA ARG A 56 -4.468 1.954 -6.295 1.00 53.33 C ATOM 244 C ARG A 56 -5.837 2.266 -6.895 1.00 65.53 C ATOM 245 O ARG A 56 -5.944 3.004 -7.874 1.00 53.33 O ATOM 246 CB ARG A 56 -3.815 0.800 -7.057 1.00 11.12 C ATOM 247 CG ARG A 56 -2.300 0.774 -6.942 1.00 31.30 C ATOM 248 CD ARG A 56 -1.636 1.270 -8.218 1.00 21.14 C ATOM 249 NE ARG A 56 -2.001 0.458 -9.376 1.00 14.42 N ATOM 250 CZ ARG A 56 -1.517 -0.757 -9.604 1.00 60.30 C ATOM 251 NH1 ARG A 56 -0.651 -1.299 -8.758 1.00 74.11 N ATOM 252 NH2 ARG A 56 -1.898 -1.433 -10.681 1.00 43.11 N ATOM 0 H ARG A 56 -4.242 0.698 -4.633 1.00 63.01 H new ATOM 0 HA ARG A 56 -3.840 2.840 -6.386 1.00 53.33 H new ATOM 0 HB2 ARG A 56 -4.215 -0.143 -6.684 1.00 11.12 H new ATOM 0 HB3 ARG A 56 -4.090 0.869 -8.110 1.00 11.12 H new ATOM 0 HG2 ARG A 56 -1.987 1.395 -6.103 1.00 31.30 H new ATOM 0 HG3 ARG A 56 -1.968 -0.242 -6.729 1.00 31.30 H new ATOM 0 HD2 ARG A 56 -1.923 2.306 -8.397 1.00 21.14 H new ATOM 0 HD3 ARG A 56 -0.553 1.256 -8.092 1.00 21.14 H new ATOM 0 HE ARG A 56 -2.664 0.846 -10.047 1.00 14.42 H new ATOM 0 HH11 ARG A 56 -0.355 -0.782 -7.930 1.00 74.11 H new ATOM 0 HH12 ARG A 56 -0.281 -2.233 -8.936 1.00 74.11 H new ATOM 0 HH21 ARG A 56 -2.563 -1.019 -11.334 1.00 43.11 H new ATOM 0 HH22 ARG A 56 -1.526 -2.366 -10.855 1.00 43.11 H new ATOM 266 N LYS A 57 -6.880 1.695 -6.303 1.00 13.25 N ATOM 267 CA LYS A 57 -8.242 1.911 -6.777 1.00 22.14 C ATOM 268 C LYS A 57 -8.910 3.049 -6.013 1.00 10.45 C ATOM 269 O LYS A 57 -9.866 3.658 -6.495 1.00 41.01 O ATOM 270 CB LYS A 57 -9.064 0.630 -6.628 1.00 34.32 C ATOM 271 CG LYS A 57 -9.675 0.456 -5.247 1.00 65.41 C ATOM 272 CD LYS A 57 -9.684 -1.003 -4.822 1.00 53.10 C ATOM 273 CE LYS A 57 -10.537 -1.849 -5.754 1.00 72.40 C ATOM 274 NZ LYS A 57 -11.939 -1.350 -5.831 1.00 43.11 N ATOM 0 H LYS A 57 -6.808 1.079 -5.493 1.00 13.25 H new ATOM 0 HA LYS A 57 -8.195 2.184 -7.831 1.00 22.14 H new ATOM 0 HB2 LYS A 57 -9.861 0.631 -7.371 1.00 34.32 H new ATOM 0 HB3 LYS A 57 -8.427 -0.228 -6.845 1.00 34.32 H new ATOM 0 HG2 LYS A 57 -9.112 1.044 -4.522 1.00 65.41 H new ATOM 0 HG3 LYS A 57 -10.694 0.842 -5.248 1.00 65.41 H new ATOM 0 HD2 LYS A 57 -8.664 -1.387 -4.812 1.00 53.10 H new ATOM 0 HD3 LYS A 57 -10.065 -1.084 -3.804 1.00 53.10 H new ATOM 0 HE2 LYS A 57 -10.096 -1.848 -6.751 1.00 72.40 H new ATOM 0 HE3 LYS A 57 -10.538 -2.882 -5.407 1.00 72.40 H new ATOM 0 HZ1 LYS A 57 -12.541 -2.072 -6.276 1.00 43.11 H new ATOM 0 HZ2 LYS A 57 -12.289 -1.150 -4.872 1.00 43.11 H new ATOM 0 HZ3 LYS A 57 -11.967 -0.479 -6.399 1.00 43.11 H new ATOM 288 N LEU A 58 -8.401 3.333 -4.819 1.00 11.22 N ATOM 289 CA LEU A 58 -8.949 4.400 -3.988 1.00 63.31 C ATOM 290 C LEU A 58 -8.853 5.746 -4.698 1.00 2.40 C ATOM 291 O LEU A 58 -9.564 6.691 -4.358 1.00 55.31 O ATOM 292 CB LEU A 58 -8.210 4.461 -2.650 1.00 5.21 C ATOM 293 CG LEU A 58 -8.809 3.633 -1.513 1.00 0.42 C ATOM 294 CD1 LEU A 58 -10.163 4.192 -1.103 1.00 23.22 C ATOM 295 CD2 LEU A 58 -8.933 2.174 -1.924 1.00 62.44 C ATOM 0 H LEU A 58 -7.610 2.840 -4.405 1.00 11.22 H new ATOM 0 HA LEU A 58 -10.001 4.182 -3.805 1.00 63.31 H new ATOM 0 HB2 LEU A 58 -7.183 4.132 -2.810 1.00 5.21 H new ATOM 0 HB3 LEU A 58 -8.165 5.502 -2.330 1.00 5.21 H new ATOM 0 HG LEU A 58 -8.140 3.691 -0.654 1.00 0.42 H new ATOM 0 HD11 LEU A 58 -10.575 3.590 -0.293 1.00 23.22 H new ATOM 0 HD12 LEU A 58 -10.045 5.222 -0.766 1.00 23.22 H new ATOM 0 HD13 LEU A 58 -10.841 4.165 -1.956 1.00 23.22 H new ATOM 0 HD21 LEU A 58 -9.361 1.600 -1.102 1.00 62.44 H new ATOM 0 HD22 LEU A 58 -9.580 2.096 -2.797 1.00 62.44 H new ATOM 0 HD23 LEU A 58 -7.946 1.779 -2.167 1.00 62.44 H new ATOM 307 N GLY A 59 -7.968 5.827 -5.687 1.00 22.25 N ATOM 308 CA GLY A 59 -7.796 7.061 -6.431 1.00 10.03 C ATOM 309 C GLY A 59 -6.418 7.665 -6.242 1.00 73.45 C ATOM 310 O GLY A 59 -6.211 8.849 -6.509 1.00 22.41 O ATOM 0 H GLY A 59 -7.367 5.059 -5.986 1.00 22.25 H new ATOM 0 HA2 GLY A 59 -7.963 6.869 -7.491 1.00 10.03 H new ATOM 0 HA3 GLY A 59 -8.551 7.781 -6.115 1.00 10.03 H new ATOM 314 N TYR A 60 -5.476 6.851 -5.781 1.00 33.31 N ATOM 315 CA TYR A 60 -4.112 7.312 -5.554 1.00 53.20 C ATOM 316 C TYR A 60 -3.223 6.999 -6.754 1.00 73.20 C ATOM 317 O TYR A 60 -3.686 6.458 -7.759 1.00 12.44 O ATOM 318 CB TYR A 60 -3.535 6.663 -4.294 1.00 54.13 C ATOM 319 CG TYR A 60 -4.000 7.314 -3.011 1.00 34.53 C ATOM 320 CD1 TYR A 60 -3.556 8.579 -2.649 1.00 70.03 C ATOM 321 CD2 TYR A 60 -4.886 6.662 -2.161 1.00 1.32 C ATOM 322 CE1 TYR A 60 -3.978 9.176 -1.477 1.00 23.03 C ATOM 323 CE2 TYR A 60 -5.315 7.252 -0.988 1.00 23.01 C ATOM 324 CZ TYR A 60 -4.857 8.509 -0.650 1.00 2.25 C ATOM 325 OH TYR A 60 -5.281 9.101 0.518 1.00 70.13 O ATOM 0 H TYR A 60 -5.632 5.868 -5.557 1.00 33.31 H new ATOM 0 HA TYR A 60 -4.139 8.393 -5.418 1.00 53.20 H new ATOM 0 HB2 TYR A 60 -3.813 5.609 -4.278 1.00 54.13 H new ATOM 0 HB3 TYR A 60 -2.447 6.705 -4.339 1.00 54.13 H new ATOM 0 HD1 TYR A 60 -2.869 9.105 -3.295 1.00 70.03 H new ATOM 0 HD2 TYR A 60 -5.245 5.677 -2.422 1.00 1.32 H new ATOM 0 HE1 TYR A 60 -3.621 10.160 -1.210 1.00 23.03 H new ATOM 0 HE2 TYR A 60 -6.005 6.733 -0.339 1.00 23.01 H new ATOM 0 HH TYR A 60 -5.898 8.499 0.984 1.00 70.13 H new ATOM 335 N SER A 61 -1.943 7.340 -6.639 1.00 55.54 N ATOM 336 CA SER A 61 -0.989 7.099 -7.716 1.00 20.34 C ATOM 337 C SER A 61 -0.102 5.901 -7.395 1.00 62.41 C ATOM 338 O SER A 61 0.369 5.746 -6.268 1.00 21.31 O ATOM 339 CB SER A 61 -0.125 8.340 -7.948 1.00 35.15 C ATOM 340 OG SER A 61 -0.503 9.008 -9.138 1.00 43.41 O ATOM 0 H SER A 61 -1.543 7.783 -5.812 1.00 55.54 H new ATOM 0 HA SER A 61 -1.550 6.882 -8.625 1.00 20.34 H new ATOM 0 HB2 SER A 61 -0.222 9.018 -7.100 1.00 35.15 H new ATOM 0 HB3 SER A 61 0.924 8.051 -8.007 1.00 35.15 H new ATOM 0 HG SER A 61 0.063 9.798 -9.263 1.00 43.41 H new ATOM 346 N SER A 62 0.121 5.053 -8.395 1.00 43.10 N ATOM 347 CA SER A 62 0.949 3.866 -8.219 1.00 70.54 C ATOM 348 C SER A 62 2.326 4.237 -7.680 1.00 5.23 C ATOM 349 O SER A 62 2.854 3.578 -6.784 1.00 34.32 O ATOM 350 CB SER A 62 1.094 3.120 -9.548 1.00 21.54 C ATOM 351 OG SER A 62 1.351 4.018 -10.612 1.00 75.41 O ATOM 0 H SER A 62 -0.260 5.166 -9.334 1.00 43.10 H new ATOM 0 HA SER A 62 0.459 3.216 -7.495 1.00 70.54 H new ATOM 0 HB2 SER A 62 1.905 2.396 -9.475 1.00 21.54 H new ATOM 0 HB3 SER A 62 0.183 2.558 -9.754 1.00 21.54 H new ATOM 0 HG SER A 62 1.441 3.516 -11.449 1.00 75.41 H new ATOM 357 N SER A 63 2.904 5.300 -8.231 1.00 11.32 N ATOM 358 CA SER A 63 4.222 5.760 -7.808 1.00 33.44 C ATOM 359 C SER A 63 4.213 6.155 -6.335 1.00 34.15 C ATOM 360 O SER A 63 5.245 6.124 -5.666 1.00 11.50 O ATOM 361 CB SER A 63 4.671 6.946 -8.663 1.00 70.25 C ATOM 362 OG SER A 63 4.580 6.643 -10.044 1.00 75.41 O ATOM 0 H SER A 63 2.480 5.859 -8.971 1.00 11.32 H new ATOM 0 HA SER A 63 4.926 4.938 -7.941 1.00 33.44 H new ATOM 0 HB2 SER A 63 4.054 7.816 -8.437 1.00 70.25 H new ATOM 0 HB3 SER A 63 5.698 7.211 -8.413 1.00 70.25 H new ATOM 0 HG SER A 63 4.871 7.418 -10.569 1.00 75.41 H new ATOM 368 N GLU A 64 3.038 6.527 -5.835 1.00 71.05 N ATOM 369 CA GLU A 64 2.893 6.929 -4.441 1.00 45.45 C ATOM 370 C GLU A 64 2.766 5.710 -3.533 1.00 73.41 C ATOM 371 O GLU A 64 3.552 5.531 -2.602 1.00 45.35 O ATOM 372 CB GLU A 64 1.671 7.835 -4.273 1.00 31.44 C ATOM 373 CG GLU A 64 1.768 9.138 -5.048 1.00 35.31 C ATOM 374 CD GLU A 64 2.247 10.292 -4.190 1.00 3.51 C ATOM 375 OE1 GLU A 64 1.464 10.765 -3.339 1.00 33.20 O ATOM 376 OE2 GLU A 64 3.405 10.724 -4.368 1.00 3.12 O ATOM 0 H GLU A 64 2.173 6.558 -6.375 1.00 71.05 H new ATOM 0 HA GLU A 64 3.788 7.481 -4.154 1.00 45.45 H new ATOM 0 HB2 GLU A 64 0.781 7.295 -4.597 1.00 31.44 H new ATOM 0 HB3 GLU A 64 1.539 8.060 -3.215 1.00 31.44 H new ATOM 0 HG2 GLU A 64 2.450 9.007 -5.888 1.00 35.31 H new ATOM 0 HG3 GLU A 64 0.791 9.382 -5.466 1.00 35.31 H new ATOM 384 N ILE A 65 1.771 4.874 -3.811 1.00 13.33 N ATOM 385 CA ILE A 65 1.541 3.672 -3.020 1.00 13.12 C ATOM 386 C ILE A 65 2.743 2.736 -3.079 1.00 43.51 C ATOM 387 O ILE A 65 3.072 2.067 -2.098 1.00 72.13 O ATOM 388 CB ILE A 65 0.290 2.913 -3.501 1.00 11.33 C ATOM 389 CG1 ILE A 65 -0.947 3.810 -3.404 1.00 23.41 C ATOM 390 CG2 ILE A 65 0.095 1.643 -2.685 1.00 44.04 C ATOM 391 CD1 ILE A 65 -2.067 3.395 -4.331 1.00 13.11 C ATOM 0 H ILE A 65 1.112 5.007 -4.578 1.00 13.33 H new ATOM 0 HA ILE A 65 1.387 3.996 -1.991 1.00 13.12 H new ATOM 0 HB ILE A 65 0.432 2.633 -4.545 1.00 11.33 H new ATOM 0 HG12 ILE A 65 -1.313 3.800 -2.377 1.00 23.41 H new ATOM 0 HG13 ILE A 65 -0.660 4.837 -3.631 1.00 23.41 H new ATOM 0 HG21 ILE A 65 -0.793 1.117 -3.036 1.00 44.04 H new ATOM 0 HG22 ILE A 65 0.967 0.999 -2.800 1.00 44.04 H new ATOM 0 HG23 ILE A 65 -0.029 1.902 -1.633 1.00 44.04 H new ATOM 0 HD11 ILE A 65 -2.911 4.074 -4.209 1.00 13.11 H new ATOM 0 HD12 ILE A 65 -1.718 3.432 -5.363 1.00 13.11 H new ATOM 0 HD13 ILE A 65 -2.381 2.379 -4.090 1.00 13.11 H new ATOM 403 N HIS A 66 3.399 2.696 -4.234 1.00 41.23 N ATOM 404 CA HIS A 66 4.568 1.845 -4.421 1.00 3.13 C ATOM 405 C HIS A 66 5.791 2.441 -3.732 1.00 53.40 C ATOM 406 O HIS A 66 6.714 1.722 -3.351 1.00 52.11 O ATOM 407 CB HIS A 66 4.852 1.651 -5.911 1.00 11.32 C ATOM 408 CG HIS A 66 5.661 0.428 -6.213 1.00 4.43 C ATOM 409 ND1 HIS A 66 7.011 0.470 -6.493 1.00 62.10 N ATOM 410 CD2 HIS A 66 5.305 -0.877 -6.275 1.00 43.43 C ATOM 411 CE1 HIS A 66 7.450 -0.757 -6.717 1.00 55.21 C ATOM 412 NE2 HIS A 66 6.435 -1.592 -6.590 1.00 54.12 N ATOM 0 H HIS A 66 3.141 3.243 -5.055 1.00 41.23 H new ATOM 0 HA HIS A 66 4.355 0.876 -3.970 1.00 3.13 H new ATOM 0 HB2 HIS A 66 3.905 1.592 -6.448 1.00 11.32 H new ATOM 0 HB3 HIS A 66 5.379 2.527 -6.289 1.00 11.32 H new ATOM 0 HD2 HIS A 66 4.317 -1.280 -6.108 1.00 43.43 H new ATOM 0 HE1 HIS A 66 8.466 -1.030 -6.962 1.00 55.21 H new ATOM 0 HE2 HIS A 66 6.482 -2.604 -6.707 1.00 54.12 H new ATOM 421 N SER A 67 5.790 3.762 -3.575 1.00 62.24 N ATOM 422 CA SER A 67 6.902 4.456 -2.936 1.00 63.30 C ATOM 423 C SER A 67 6.874 4.249 -1.425 1.00 23.34 C ATOM 424 O SER A 67 7.869 3.844 -0.823 1.00 41.22 O ATOM 425 CB SER A 67 6.850 5.951 -3.258 1.00 23.30 C ATOM 426 OG SER A 67 7.421 6.718 -2.212 1.00 51.24 O ATOM 0 H SER A 67 5.032 4.372 -3.881 1.00 62.24 H new ATOM 0 HA SER A 67 7.831 4.040 -3.326 1.00 63.30 H new ATOM 0 HB2 SER A 67 7.384 6.145 -4.188 1.00 23.30 H new ATOM 0 HB3 SER A 67 5.816 6.257 -3.415 1.00 23.30 H new ATOM 0 HG SER A 67 7.377 7.669 -2.442 1.00 51.24 H new ATOM 432 N VAL A 68 5.726 4.531 -0.815 1.00 43.13 N ATOM 433 CA VAL A 68 5.567 4.375 0.626 1.00 63.44 C ATOM 434 C VAL A 68 5.775 2.925 1.048 1.00 13.30 C ATOM 435 O VAL A 68 6.307 2.651 2.124 1.00 35.54 O ATOM 436 CB VAL A 68 4.174 4.839 1.089 1.00 21.15 C ATOM 437 CG1 VAL A 68 3.990 6.325 0.824 1.00 42.01 C ATOM 438 CG2 VAL A 68 3.086 4.028 0.401 1.00 22.14 C ATOM 0 H VAL A 68 4.893 4.869 -1.297 1.00 43.13 H new ATOM 0 HA VAL A 68 6.325 4.999 1.098 1.00 63.44 H new ATOM 0 HB VAL A 68 4.094 4.674 2.163 1.00 21.15 H new ATOM 0 HG11 VAL A 68 3.000 6.634 1.158 1.00 42.01 H new ATOM 0 HG12 VAL A 68 4.748 6.888 1.368 1.00 42.01 H new ATOM 0 HG13 VAL A 68 4.090 6.519 -0.244 1.00 42.01 H new ATOM 0 HG21 VAL A 68 2.108 4.370 0.740 1.00 22.14 H new ATOM 0 HG22 VAL A 68 3.162 4.159 -0.678 1.00 22.14 H new ATOM 0 HG23 VAL A 68 3.207 2.973 0.648 1.00 22.14 H new ATOM 448 N LEU A 69 5.352 1.999 0.194 1.00 50.54 N ATOM 449 CA LEU A 69 5.492 0.575 0.477 1.00 42.33 C ATOM 450 C LEU A 69 6.938 0.125 0.302 1.00 30.41 C ATOM 451 O LEU A 69 7.415 -0.754 1.021 1.00 50.11 O ATOM 452 CB LEU A 69 4.577 -0.239 -0.440 1.00 2.11 C ATOM 453 CG LEU A 69 3.228 -0.649 0.151 1.00 73.41 C ATOM 454 CD1 LEU A 69 3.417 -1.699 1.234 1.00 30.35 C ATOM 455 CD2 LEU A 69 2.497 0.564 0.703 1.00 14.03 C ATOM 0 H LEU A 69 4.909 2.209 -0.700 1.00 50.54 H new ATOM 0 HA LEU A 69 5.202 0.405 1.514 1.00 42.33 H new ATOM 0 HB2 LEU A 69 4.394 0.341 -1.345 1.00 2.11 H new ATOM 0 HB3 LEU A 69 5.108 -1.142 -0.742 1.00 2.11 H new ATOM 0 HG LEU A 69 2.621 -1.082 -0.644 1.00 73.41 H new ATOM 0 HD11 LEU A 69 2.446 -1.979 1.643 1.00 30.35 H new ATOM 0 HD12 LEU A 69 3.898 -2.579 0.807 1.00 30.35 H new ATOM 0 HD13 LEU A 69 4.042 -1.293 2.029 1.00 30.35 H new ATOM 0 HD21 LEU A 69 1.539 0.253 1.120 1.00 14.03 H new ATOM 0 HD22 LEU A 69 3.099 1.027 1.485 1.00 14.03 H new ATOM 0 HD23 LEU A 69 2.328 1.283 -0.099 1.00 14.03 H new ATOM 467 N GLN A 70 7.632 0.733 -0.655 1.00 14.41 N ATOM 468 CA GLN A 70 9.024 0.395 -0.921 1.00 53.43 C ATOM 469 C GLN A 70 9.903 0.722 0.281 1.00 3.31 C ATOM 470 O GLN A 70 10.953 0.108 0.481 1.00 14.32 O ATOM 471 CB GLN A 70 9.526 1.148 -2.155 1.00 11.23 C ATOM 472 CG GLN A 70 11.026 1.028 -2.372 1.00 60.03 C ATOM 473 CD GLN A 70 11.466 -0.399 -2.633 1.00 35.14 C ATOM 474 OE1 GLN A 70 12.287 -0.952 -1.901 1.00 44.32 O ATOM 475 NE2 GLN A 70 10.919 -1.005 -3.681 1.00 20.22 N ATOM 0 H GLN A 70 7.252 1.462 -1.259 1.00 14.41 H new ATOM 0 HA GLN A 70 9.082 -0.677 -1.109 1.00 53.43 H new ATOM 0 HB2 GLN A 70 9.008 0.770 -3.037 1.00 11.23 H new ATOM 0 HB3 GLN A 70 9.264 2.202 -2.059 1.00 11.23 H new ATOM 0 HG2 GLN A 70 11.318 1.654 -3.215 1.00 60.03 H new ATOM 0 HG3 GLN A 70 11.548 1.410 -1.495 1.00 60.03 H new ATOM 0 HE21 GLN A 70 10.242 -0.509 -4.261 1.00 20.22 H new ATOM 0 HE22 GLN A 70 11.176 -1.966 -3.906 1.00 20.22 H new ATOM 484 N LYS A 71 9.470 1.692 1.079 1.00 62.22 N ATOM 485 CA LYS A 71 10.217 2.100 2.263 1.00 1.43 C ATOM 486 C LYS A 71 9.699 1.384 3.506 1.00 21.31 C ATOM 487 O LYS A 71 10.474 0.809 4.271 1.00 72.51 O ATOM 488 CB LYS A 71 10.119 3.615 2.455 1.00 31.34 C ATOM 489 CG LYS A 71 11.168 4.177 3.398 1.00 12.24 C ATOM 490 CD LYS A 71 12.548 4.177 2.762 1.00 51.23 C ATOM 491 CE LYS A 71 13.640 4.406 3.796 1.00 52.41 C ATOM 492 NZ LYS A 71 14.977 4.571 3.163 1.00 5.00 N ATOM 0 H LYS A 71 8.605 2.211 0.927 1.00 62.22 H new ATOM 0 HA LYS A 71 11.262 1.825 2.116 1.00 1.43 H new ATOM 0 HB2 LYS A 71 10.216 4.103 1.485 1.00 31.34 H new ATOM 0 HB3 LYS A 71 9.129 3.861 2.838 1.00 31.34 H new ATOM 0 HG2 LYS A 71 10.897 5.194 3.681 1.00 12.24 H new ATOM 0 HG3 LYS A 71 11.189 3.587 4.314 1.00 12.24 H new ATOM 0 HD2 LYS A 71 12.717 3.226 2.258 1.00 51.23 H new ATOM 0 HD3 LYS A 71 12.598 4.955 2.000 1.00 51.23 H new ATOM 0 HE2 LYS A 71 13.404 5.294 4.383 1.00 52.41 H new ATOM 0 HE3 LYS A 71 13.667 3.564 4.488 1.00 52.41 H new ATOM 0 HZ1 LYS A 71 15.694 4.725 3.901 1.00 5.00 H new ATOM 0 HZ2 LYS A 71 15.214 3.714 2.624 1.00 5.00 H new ATOM 0 HZ3 LYS A 71 14.959 5.390 2.522 1.00 5.00 H new ATOM 506 N LEU A 72 8.386 1.423 3.701 1.00 31.12 N ATOM 507 CA LEU A 72 7.764 0.776 4.852 1.00 23.13 C ATOM 508 C LEU A 72 7.964 -0.736 4.800 1.00 33.15 C ATOM 509 O LEU A 72 8.505 -1.332 5.730 1.00 32.43 O ATOM 510 CB LEU A 72 6.271 1.103 4.900 1.00 31.33 C ATOM 511 CG LEU A 72 5.885 2.362 5.677 1.00 11.30 C ATOM 512 CD1 LEU A 72 6.702 3.553 5.203 1.00 4.44 C ATOM 513 CD2 LEU A 72 4.396 2.643 5.532 1.00 33.11 C ATOM 0 H LEU A 72 7.731 1.895 3.078 1.00 31.12 H new ATOM 0 HA LEU A 72 8.242 1.157 5.755 1.00 23.13 H new ATOM 0 HB2 LEU A 72 5.909 1.206 3.877 1.00 31.33 H new ATOM 0 HB3 LEU A 72 5.747 0.254 5.339 1.00 31.33 H new ATOM 0 HG LEU A 72 6.102 2.195 6.732 1.00 11.30 H new ATOM 0 HD11 LEU A 72 6.414 4.440 5.767 1.00 4.44 H new ATOM 0 HD12 LEU A 72 7.762 3.352 5.359 1.00 4.44 H new ATOM 0 HD13 LEU A 72 6.517 3.722 4.142 1.00 4.44 H new ATOM 0 HD21 LEU A 72 4.139 3.543 6.092 1.00 33.11 H new ATOM 0 HD22 LEU A 72 4.154 2.789 4.479 1.00 33.11 H new ATOM 0 HD23 LEU A 72 3.827 1.799 5.921 1.00 33.11 H new ATOM 525 N GLY A 73 7.525 -1.349 3.705 1.00 75.10 N ATOM 526 CA GLY A 73 7.666 -2.785 3.552 1.00 11.03 C ATOM 527 C GLY A 73 6.427 -3.540 3.992 1.00 42.31 C ATOM 528 O GLY A 73 5.305 -3.131 3.696 1.00 75.04 O ATOM 0 H GLY A 73 7.074 -0.877 2.921 1.00 75.10 H new ATOM 0 HA2 GLY A 73 7.877 -3.017 2.508 1.00 11.03 H new ATOM 0 HA3 GLY A 73 8.522 -3.127 4.134 1.00 11.03 H new ATOM 532 N VAL A 74 6.631 -4.647 4.700 1.00 55.42 N ATOM 533 CA VAL A 74 5.521 -5.461 5.181 1.00 42.32 C ATOM 534 C VAL A 74 5.187 -5.133 6.632 1.00 44.54 C ATOM 535 O VAL A 74 4.084 -5.408 7.101 1.00 14.45 O ATOM 536 CB VAL A 74 5.836 -6.964 5.065 1.00 44.21 C ATOM 537 CG1 VAL A 74 4.660 -7.796 5.553 1.00 43.14 C ATOM 538 CG2 VAL A 74 6.197 -7.323 3.631 1.00 34.22 C ATOM 0 H VAL A 74 7.554 -5.000 4.953 1.00 55.42 H new ATOM 0 HA VAL A 74 4.662 -5.228 4.552 1.00 42.32 H new ATOM 0 HB VAL A 74 6.695 -7.188 5.698 1.00 44.21 H new ATOM 0 HG11 VAL A 74 4.901 -8.855 5.463 1.00 43.14 H new ATOM 0 HG12 VAL A 74 4.454 -7.558 6.597 1.00 43.14 H new ATOM 0 HG13 VAL A 74 3.780 -7.572 4.949 1.00 43.14 H new ATOM 0 HG21 VAL A 74 6.417 -8.389 3.567 1.00 34.22 H new ATOM 0 HG22 VAL A 74 5.360 -7.085 2.975 1.00 34.22 H new ATOM 0 HG23 VAL A 74 7.073 -6.753 3.323 1.00 34.22 H new ATOM 548 N GLN A 75 6.148 -4.544 7.336 1.00 45.24 N ATOM 549 CA GLN A 75 5.956 -4.178 8.734 1.00 32.33 C ATOM 550 C GLN A 75 4.905 -3.082 8.870 1.00 15.15 C ATOM 551 O GLN A 75 4.324 -2.895 9.940 1.00 43.23 O ATOM 552 CB GLN A 75 7.277 -3.714 9.349 1.00 43.20 C ATOM 553 CG GLN A 75 7.899 -2.529 8.628 1.00 4.44 C ATOM 554 CD GLN A 75 9.054 -1.918 9.398 1.00 65.32 C ATOM 555 OE1 GLN A 75 9.141 -0.699 9.548 1.00 73.04 O ATOM 556 NE2 GLN A 75 9.951 -2.765 9.891 1.00 50.11 N ATOM 0 H GLN A 75 7.067 -4.310 6.961 1.00 45.24 H new ATOM 0 HA GLN A 75 5.606 -5.061 9.269 1.00 32.33 H new ATOM 0 HB2 GLN A 75 7.109 -3.447 10.392 1.00 43.20 H new ATOM 0 HB3 GLN A 75 7.983 -4.544 9.343 1.00 43.20 H new ATOM 0 HG2 GLN A 75 8.250 -2.849 7.647 1.00 4.44 H new ATOM 0 HG3 GLN A 75 7.136 -1.769 8.461 1.00 4.44 H new ATOM 0 HE21 GLN A 75 9.840 -3.768 9.743 1.00 50.11 H new ATOM 0 HE22 GLN A 75 10.750 -2.412 10.417 1.00 50.11 H new ATOM 565 N ALA A 76 4.666 -2.358 7.782 1.00 74.55 N ATOM 566 CA ALA A 76 3.683 -1.282 7.780 1.00 71.33 C ATOM 567 C ALA A 76 2.342 -1.762 8.321 1.00 33.14 C ATOM 568 O ALA A 76 2.132 -2.959 8.515 1.00 32.52 O ATOM 569 CB ALA A 76 3.518 -0.722 6.374 1.00 34.24 C ATOM 0 H ALA A 76 5.140 -2.497 6.890 1.00 74.55 H new ATOM 0 HA ALA A 76 4.046 -0.490 8.435 1.00 71.33 H new ATOM 0 HB1 ALA A 76 2.781 0.081 6.386 1.00 34.24 H new ATOM 0 HB2 ALA A 76 4.474 -0.332 6.023 1.00 34.24 H new ATOM 0 HB3 ALA A 76 3.181 -1.513 5.704 1.00 34.24 H new ATOM 575 N ASP A 77 1.437 -0.820 8.566 1.00 54.13 N ATOM 576 CA ASP A 77 0.114 -1.147 9.086 1.00 21.31 C ATOM 577 C ASP A 77 -0.976 -0.468 8.264 1.00 33.00 C ATOM 578 O ASP A 77 -0.697 0.170 7.248 1.00 32.54 O ATOM 579 CB ASP A 77 0.002 -0.727 10.553 1.00 54.03 C ATOM 580 CG ASP A 77 1.315 -0.864 11.297 1.00 64.02 C ATOM 581 OD1 ASP A 77 1.688 0.083 12.022 1.00 34.22 O ATOM 582 OD2 ASP A 77 1.970 -1.917 11.155 1.00 63.23 O ATOM 0 H ASP A 77 1.595 0.176 8.413 1.00 54.13 H new ATOM 0 HA ASP A 77 -0.022 -2.226 9.014 1.00 21.31 H new ATOM 0 HB2 ASP A 77 -0.336 0.308 10.607 1.00 54.03 H new ATOM 0 HB3 ASP A 77 -0.756 -1.336 11.045 1.00 54.03 H new ATOM 588 N THR A 78 -2.221 -0.609 8.709 1.00 35.43 N ATOM 589 CA THR A 78 -3.354 -0.012 8.014 1.00 13.04 C ATOM 590 C THR A 78 -3.367 1.503 8.185 1.00 44.45 C ATOM 591 O THR A 78 -3.808 2.233 7.298 1.00 0.14 O ATOM 592 CB THR A 78 -4.690 -0.585 8.522 1.00 35.22 C ATOM 593 OG1 THR A 78 -4.677 -2.014 8.431 1.00 30.24 O ATOM 594 CG2 THR A 78 -5.857 -0.032 7.718 1.00 53.15 C ATOM 0 H THR A 78 -2.470 -1.132 9.549 1.00 35.43 H new ATOM 0 HA THR A 78 -3.241 -0.255 6.958 1.00 13.04 H new ATOM 0 HB THR A 78 -4.814 -0.289 9.564 1.00 35.22 H new ATOM 0 HG1 THR A 78 -5.529 -2.370 8.758 1.00 30.24 H new ATOM 0 HG21 THR A 78 -6.790 -0.451 8.095 1.00 53.15 H new ATOM 0 HG22 THR A 78 -5.882 1.054 7.813 1.00 53.15 H new ATOM 0 HG23 THR A 78 -5.736 -0.302 6.669 1.00 53.15 H new ATOM 602 N ASN A 79 -2.879 1.970 9.330 1.00 34.14 N ATOM 603 CA ASN A 79 -2.834 3.399 9.616 1.00 13.13 C ATOM 604 C ASN A 79 -1.560 4.026 9.059 1.00 22.23 C ATOM 605 O ASN A 79 -1.563 5.172 8.609 1.00 42.24 O ATOM 606 CB ASN A 79 -2.918 3.642 11.124 1.00 20.44 C ATOM 607 CG ASN A 79 -1.586 3.429 11.819 1.00 53.14 C ATOM 608 OD1 ASN A 79 -0.716 4.300 11.794 1.00 1.13 O ATOM 609 ND2 ASN A 79 -1.422 2.269 12.442 1.00 34.30 N ATOM 0 H ASN A 79 -2.509 1.379 10.075 1.00 34.14 H new ATOM 0 HA ASN A 79 -3.690 3.868 9.131 1.00 13.13 H new ATOM 0 HB2 ASN A 79 -3.261 4.660 11.307 1.00 20.44 H new ATOM 0 HB3 ASN A 79 -3.662 2.972 11.556 1.00 20.44 H new ATOM 0 HD21 ASN A 79 -0.547 2.070 12.927 1.00 34.30 H new ATOM 0 HD22 ASN A 79 -2.171 1.577 12.436 1.00 34.30 H new ATOM 616 N THR A 80 -0.470 3.265 9.092 1.00 3.03 N ATOM 617 CA THR A 80 0.813 3.745 8.591 1.00 12.03 C ATOM 618 C THR A 80 0.710 4.163 7.129 1.00 31.21 C ATOM 619 O THR A 80 1.084 5.277 6.763 1.00 11.31 O ATOM 620 CB THR A 80 1.908 2.671 8.731 1.00 15.23 C ATOM 621 OG1 THR A 80 1.594 1.789 9.815 1.00 75.14 O ATOM 622 CG2 THR A 80 3.266 3.313 8.971 1.00 22.51 C ATOM 0 H THR A 80 -0.450 2.314 9.460 1.00 3.03 H new ATOM 0 HA THR A 80 1.085 4.611 9.195 1.00 12.03 H new ATOM 0 HB THR A 80 1.950 2.103 7.802 1.00 15.23 H new ATOM 0 HG1 THR A 80 2.418 1.542 10.285 1.00 75.14 H new ATOM 0 HG21 THR A 80 4.024 2.536 9.067 1.00 22.51 H new ATOM 0 HG22 THR A 80 3.515 3.962 8.131 1.00 22.51 H new ATOM 0 HG23 THR A 80 3.233 3.902 9.887 1.00 22.51 H new ATOM 630 N VAL A 81 0.200 3.262 6.295 1.00 22.34 N ATOM 631 CA VAL A 81 0.046 3.538 4.872 1.00 60.24 C ATOM 632 C VAL A 81 -0.692 4.852 4.643 1.00 63.02 C ATOM 633 O VAL A 81 -0.203 5.738 3.939 1.00 25.52 O ATOM 634 CB VAL A 81 -0.714 2.404 4.159 1.00 31.12 C ATOM 635 CG1 VAL A 81 -0.763 2.654 2.660 1.00 62.35 C ATOM 636 CG2 VAL A 81 -0.072 1.059 4.463 1.00 61.50 C ATOM 0 H VAL A 81 -0.114 2.334 6.581 1.00 22.34 H new ATOM 0 HA VAL A 81 1.050 3.611 4.454 1.00 60.24 H new ATOM 0 HB VAL A 81 -1.738 2.385 4.533 1.00 31.12 H new ATOM 0 HG11 VAL A 81 -1.304 1.842 2.173 1.00 62.35 H new ATOM 0 HG12 VAL A 81 -1.272 3.598 2.465 1.00 62.35 H new ATOM 0 HG13 VAL A 81 0.252 2.701 2.266 1.00 62.35 H new ATOM 0 HG21 VAL A 81 -0.622 0.269 3.951 1.00 61.50 H new ATOM 0 HG22 VAL A 81 0.962 1.063 4.118 1.00 61.50 H new ATOM 0 HG23 VAL A 81 -0.095 0.879 5.538 1.00 61.50 H new ATOM 646 N LEU A 82 -1.871 4.974 5.243 1.00 43.14 N ATOM 647 CA LEU A 82 -2.677 6.182 5.106 1.00 74.22 C ATOM 648 C LEU A 82 -1.882 7.418 5.513 1.00 63.30 C ATOM 649 O LEU A 82 -1.823 8.401 4.776 1.00 20.33 O ATOM 650 CB LEU A 82 -3.944 6.072 5.957 1.00 22.24 C ATOM 651 CG LEU A 82 -4.854 4.882 5.656 1.00 71.14 C ATOM 652 CD1 LEU A 82 -5.618 4.464 6.903 1.00 42.11 C ATOM 653 CD2 LEU A 82 -5.818 5.219 4.527 1.00 12.43 C ATOM 0 H LEU A 82 -2.290 4.252 5.829 1.00 43.14 H new ATOM 0 HA LEU A 82 -2.958 6.284 4.058 1.00 74.22 H new ATOM 0 HB2 LEU A 82 -3.650 6.023 7.005 1.00 22.24 H new ATOM 0 HB3 LEU A 82 -4.523 6.987 5.831 1.00 22.24 H new ATOM 0 HG LEU A 82 -4.231 4.046 5.339 1.00 71.14 H new ATOM 0 HD11 LEU A 82 -6.261 3.615 6.669 1.00 42.11 H new ATOM 0 HD12 LEU A 82 -4.912 4.180 7.684 1.00 42.11 H new ATOM 0 HD13 LEU A 82 -6.229 5.297 7.251 1.00 42.11 H new ATOM 0 HD21 LEU A 82 -6.458 4.360 4.326 1.00 12.43 H new ATOM 0 HD22 LEU A 82 -6.434 6.071 4.816 1.00 12.43 H new ATOM 0 HD23 LEU A 82 -5.253 5.468 3.629 1.00 12.43 H new ATOM 665 N GLY A 83 -1.269 7.358 6.692 1.00 53.52 N ATOM 666 CA GLY A 83 -0.483 8.477 7.176 1.00 44.54 C ATOM 667 C GLY A 83 0.547 8.943 6.165 1.00 1.42 C ATOM 668 O GLY A 83 0.668 10.139 5.899 1.00 1.15 O ATOM 0 H GLY A 83 -1.303 6.555 7.320 1.00 53.52 H new ATOM 0 HA2 GLY A 83 -1.148 9.305 7.421 1.00 44.54 H new ATOM 0 HA3 GLY A 83 0.022 8.190 8.099 1.00 44.54 H new ATOM 672 N GLU A 84 1.291 7.997 5.602 1.00 31.11 N ATOM 673 CA GLU A 84 2.317 8.318 4.618 1.00 64.24 C ATOM 674 C GLU A 84 1.746 9.185 3.499 1.00 64.35 C ATOM 675 O GLU A 84 2.399 10.114 3.022 1.00 33.43 O ATOM 676 CB GLU A 84 2.912 7.036 4.032 1.00 41.13 C ATOM 677 CG GLU A 84 3.745 6.242 5.024 1.00 34.34 C ATOM 678 CD GLU A 84 4.746 7.103 5.768 1.00 14.35 C ATOM 679 OE1 GLU A 84 4.755 7.058 7.016 1.00 43.01 O ATOM 680 OE2 GLU A 84 5.519 7.824 5.103 1.00 71.12 O ATOM 0 H GLU A 84 1.202 7.002 5.810 1.00 31.11 H new ATOM 0 HA GLU A 84 3.105 8.878 5.122 1.00 64.24 H new ATOM 0 HB2 GLU A 84 2.103 6.406 3.663 1.00 41.13 H new ATOM 0 HB3 GLU A 84 3.532 7.293 3.173 1.00 41.13 H new ATOM 0 HG2 GLU A 84 3.083 5.758 5.742 1.00 34.34 H new ATOM 0 HG3 GLU A 84 4.275 5.450 4.495 1.00 34.34 H new ATOM 688 N LEU A 85 0.524 8.873 3.083 1.00 34.13 N ATOM 689 CA LEU A 85 -0.137 9.621 2.020 1.00 55.41 C ATOM 690 C LEU A 85 -0.735 10.918 2.558 1.00 62.31 C ATOM 691 O LEU A 85 -0.809 11.921 1.848 1.00 14.31 O ATOM 692 CB LEU A 85 -1.233 8.771 1.375 1.00 62.25 C ATOM 693 CG LEU A 85 -0.850 7.330 1.035 1.00 64.53 C ATOM 694 CD1 LEU A 85 -2.096 6.477 0.846 1.00 43.42 C ATOM 695 CD2 LEU A 85 0.021 7.290 -0.213 1.00 55.03 C ATOM 0 H LEU A 85 -0.030 8.107 3.466 1.00 34.13 H new ATOM 0 HA LEU A 85 0.611 9.871 1.267 1.00 55.41 H new ATOM 0 HB2 LEU A 85 -2.091 8.749 2.047 1.00 62.25 H new ATOM 0 HB3 LEU A 85 -1.557 9.266 0.459 1.00 62.25 H new ATOM 0 HG LEU A 85 -0.277 6.920 1.867 1.00 64.53 H new ATOM 0 HD11 LEU A 85 -1.804 5.455 0.605 1.00 43.42 H new ATOM 0 HD12 LEU A 85 -2.682 6.480 1.765 1.00 43.42 H new ATOM 0 HD13 LEU A 85 -2.696 6.885 0.032 1.00 43.42 H new ATOM 0 HD21 LEU A 85 0.284 6.257 -0.440 1.00 55.03 H new ATOM 0 HD22 LEU A 85 -0.527 7.718 -1.053 1.00 55.03 H new ATOM 0 HD23 LEU A 85 0.930 7.866 -0.041 1.00 55.03 H new ATOM 707 N VAL A 86 -1.159 10.891 3.817 1.00 31.31 N ATOM 708 CA VAL A 86 -1.747 12.064 4.451 1.00 34.23 C ATOM 709 C VAL A 86 -0.707 13.161 4.651 1.00 22.34 C ATOM 710 O VAL A 86 -1.039 14.345 4.706 1.00 13.02 O ATOM 711 CB VAL A 86 -2.373 11.711 5.815 1.00 42.14 C ATOM 712 CG1 VAL A 86 -2.949 12.954 6.475 1.00 3.44 C ATOM 713 CG2 VAL A 86 -3.442 10.642 5.648 1.00 12.11 C ATOM 0 H VAL A 86 -1.106 10.069 4.418 1.00 31.31 H new ATOM 0 HA VAL A 86 -2.529 12.426 3.783 1.00 34.23 H new ATOM 0 HB VAL A 86 -1.592 11.314 6.463 1.00 42.14 H new ATOM 0 HG11 VAL A 86 -3.387 12.686 7.437 1.00 3.44 H new ATOM 0 HG12 VAL A 86 -2.155 13.685 6.629 1.00 3.44 H new ATOM 0 HG13 VAL A 86 -3.718 13.383 5.833 1.00 3.44 H new ATOM 0 HG21 VAL A 86 -3.874 10.404 6.620 1.00 12.11 H new ATOM 0 HG22 VAL A 86 -4.224 11.010 4.984 1.00 12.11 H new ATOM 0 HG23 VAL A 86 -2.995 9.744 5.220 1.00 12.11 H new ATOM 723 N LYS A 87 0.554 12.758 4.759 1.00 41.34 N ATOM 724 CA LYS A 87 1.646 13.706 4.950 1.00 10.04 C ATOM 725 C LYS A 87 2.373 13.972 3.636 1.00 54.12 C ATOM 726 O LYS A 87 2.611 15.123 3.268 1.00 32.02 O ATOM 727 CB LYS A 87 2.634 13.175 5.992 1.00 74.25 C ATOM 728 CG LYS A 87 2.301 13.594 7.413 1.00 24.13 C ATOM 729 CD LYS A 87 3.554 13.723 8.264 1.00 42.15 C ATOM 730 CE LYS A 87 3.226 14.191 9.672 1.00 11.55 C ATOM 731 NZ LYS A 87 2.956 13.049 10.589 1.00 64.32 N ATOM 0 H LYS A 87 0.846 11.781 4.718 1.00 41.34 H new ATOM 0 HA LYS A 87 1.220 14.644 5.306 1.00 10.04 H new ATOM 0 HB2 LYS A 87 2.656 12.087 5.939 1.00 74.25 H new ATOM 0 HB3 LYS A 87 3.635 13.526 5.743 1.00 74.25 H new ATOM 0 HG2 LYS A 87 1.771 14.546 7.398 1.00 24.13 H new ATOM 0 HG3 LYS A 87 1.629 12.862 7.861 1.00 24.13 H new ATOM 0 HD2 LYS A 87 4.065 12.761 8.309 1.00 42.15 H new ATOM 0 HD3 LYS A 87 4.242 14.428 7.796 1.00 42.15 H new ATOM 0 HE2 LYS A 87 4.056 14.780 10.061 1.00 11.55 H new ATOM 0 HE3 LYS A 87 2.356 14.847 9.643 1.00 11.55 H new ATOM 0 HZ1 LYS A 87 2.737 13.411 11.539 1.00 64.32 H new ATOM 0 HZ2 LYS A 87 2.148 12.501 10.232 1.00 64.32 H new ATOM 0 HZ3 LYS A 87 3.795 12.437 10.637 1.00 64.32 H new ATOM 745 N HIS A 88 2.721 12.901 2.929 1.00 25.14 N ATOM 746 CA HIS A 88 3.418 13.020 1.654 1.00 63.52 C ATOM 747 C HIS A 88 2.452 13.413 0.541 1.00 10.20 C ATOM 748 O HIS A 88 2.619 14.448 -0.103 1.00 53.21 O ATOM 749 CB HIS A 88 4.111 11.703 1.303 1.00 61.11 C ATOM 750 CG HIS A 88 5.261 11.864 0.357 1.00 75.21 C ATOM 751 ND1 HIS A 88 5.098 12.129 -0.987 1.00 5.41 N ATOM 752 CD2 HIS A 88 6.596 11.798 0.567 1.00 62.40 C ATOM 753 CE1 HIS A 88 6.284 12.218 -1.563 1.00 23.51 C ATOM 754 NE2 HIS A 88 7.210 12.020 -0.642 1.00 14.32 N ATOM 0 H HIS A 88 2.531 11.941 3.218 1.00 25.14 H new ATOM 0 HA HIS A 88 4.170 13.803 1.751 1.00 63.52 H new ATOM 0 HB2 HIS A 88 4.469 11.235 2.220 1.00 61.11 H new ATOM 0 HB3 HIS A 88 3.381 11.024 0.862 1.00 61.11 H new ATOM 0 HD2 HIS A 88 7.087 11.606 1.509 1.00 62.40 H new ATOM 0 HE1 HIS A 88 6.465 12.418 -2.609 1.00 23.51 H new ATOM 0 HE2 HIS A 88 8.217 12.030 -0.802 1.00 14.32 H new ATOM 763 N GLY A 89 1.441 12.578 0.319 1.00 2.24 N ATOM 764 CA GLY A 89 0.464 12.857 -0.718 1.00 34.55 C ATOM 765 C GLY A 89 -0.607 13.827 -0.259 1.00 61.43 C ATOM 766 O GLY A 89 -0.360 14.673 0.600 1.00 72.13 O ATOM 0 H GLY A 89 1.281 11.715 0.838 1.00 2.24 H new ATOM 0 HA2 GLY A 89 0.972 13.268 -1.591 1.00 34.55 H new ATOM 0 HA3 GLY A 89 -0.005 11.924 -1.032 1.00 34.55 H new TER 770 GLY A 89