USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 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) 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 50:sc= -0.126 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 159:sc= 0 (180deg=-0.621) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0689 (180deg=-0.449) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= -0.0453 (180deg=-0.318) 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= -0.0155 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=-0.039) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.00914 X(o=0.0091,f=-0.0053) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.081) USER MOD Single : A 80 THR OG1 : rot -169:sc= -0.0497 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=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -1.088 -24.625 -10.440 1.00 30.21 N ATOM 2 CA GLY A 41 -0.253 -24.064 -9.393 1.00 62.43 C ATOM 3 C GLY A 41 -0.991 -23.919 -8.078 1.00 22.13 C ATOM 4 O GLY A 41 -2.133 -24.356 -7.930 1.00 25.15 O ATOM 0 HA2 GLY A 41 0.619 -24.701 -9.248 1.00 62.43 H new ATOM 0 HA3 GLY A 41 0.114 -23.088 -9.709 1.00 62.43 H new ATOM 8 N PRO A 42 -0.333 -23.292 -7.091 1.00 65.12 N ATOM 9 CA PRO A 42 -0.914 -23.077 -5.763 1.00 35.12 C ATOM 10 C PRO A 42 -2.049 -22.058 -5.785 1.00 63.33 C ATOM 11 O PRO A 42 -3.076 -22.243 -5.132 1.00 23.22 O ATOM 12 CB PRO A 42 0.263 -22.548 -4.942 1.00 4.55 C ATOM 13 CG PRO A 42 1.177 -21.928 -5.943 1.00 34.21 C ATOM 14 CD PRO A 42 1.031 -22.745 -7.197 1.00 74.50 C ATOM 0 HA PRO A 42 -1.357 -23.988 -5.360 1.00 35.12 H new ATOM 0 HB2 PRO A 42 -0.067 -21.819 -4.202 1.00 4.55 H new ATOM 0 HB3 PRO A 42 0.759 -23.352 -4.398 1.00 4.55 H new ATOM 0 HG2 PRO A 42 0.911 -20.886 -6.122 1.00 34.21 H new ATOM 0 HG3 PRO A 42 2.208 -21.937 -5.589 1.00 34.21 H new ATOM 0 HD2 PRO A 42 1.150 -22.133 -8.091 1.00 74.50 H new ATOM 0 HD3 PRO A 42 1.778 -23.537 -7.250 1.00 74.50 H new ATOM 22 N HIS A 43 -1.856 -20.982 -6.543 1.00 12.11 N ATOM 23 CA HIS A 43 -2.865 -19.934 -6.651 1.00 2.42 C ATOM 24 C HIS A 43 -3.140 -19.302 -5.289 1.00 73.55 C ATOM 25 O HIS A 43 -4.284 -19.255 -4.836 1.00 63.00 O ATOM 26 CB HIS A 43 -4.160 -20.501 -7.234 1.00 43.22 C ATOM 27 CG HIS A 43 -3.952 -21.319 -8.471 1.00 42.22 C ATOM 28 ND1 HIS A 43 -4.555 -22.542 -8.675 1.00 62.11 N ATOM 29 CD2 HIS A 43 -3.203 -21.081 -9.573 1.00 74.32 C ATOM 30 CE1 HIS A 43 -4.184 -23.022 -9.849 1.00 33.51 C ATOM 31 NE2 HIS A 43 -3.364 -22.155 -10.414 1.00 54.33 N ATOM 0 H HIS A 43 -1.012 -20.814 -7.090 1.00 12.11 H new ATOM 0 HA HIS A 43 -2.482 -19.163 -7.319 1.00 2.42 H new ATOM 0 HB2 HIS A 43 -4.650 -21.117 -6.479 1.00 43.22 H new ATOM 0 HB3 HIS A 43 -4.837 -19.678 -7.462 1.00 43.22 H new ATOM 0 HD2 HIS A 43 -2.593 -20.209 -9.757 1.00 74.32 H new ATOM 0 HE1 HIS A 43 -4.498 -23.964 -10.274 1.00 33.51 H new ATOM 0 HE2 HIS A 43 -2.922 -22.265 -11.327 1.00 54.33 H new ATOM 40 N MET A 44 -2.085 -18.819 -4.642 1.00 43.41 N ATOM 41 CA MET A 44 -2.213 -18.190 -3.333 1.00 55.11 C ATOM 42 C MET A 44 -2.559 -16.710 -3.473 1.00 24.02 C ATOM 43 O MET A 44 -2.386 -16.119 -4.538 1.00 44.03 O ATOM 44 CB MET A 44 -0.917 -18.350 -2.537 1.00 2.50 C ATOM 45 CG MET A 44 0.284 -17.685 -3.191 1.00 31.43 C ATOM 46 SD MET A 44 1.707 -17.585 -2.088 1.00 63.33 S ATOM 47 CE MET A 44 2.325 -19.265 -2.180 1.00 53.11 C ATOM 0 H MET A 44 -1.132 -18.851 -5.003 1.00 43.41 H new ATOM 0 HA MET A 44 -3.023 -18.685 -2.797 1.00 55.11 H new ATOM 0 HB2 MET A 44 -1.057 -17.929 -1.541 1.00 2.50 H new ATOM 0 HB3 MET A 44 -0.708 -19.412 -2.408 1.00 2.50 H new ATOM 0 HG2 MET A 44 0.561 -18.243 -4.086 1.00 31.43 H new ATOM 0 HG3 MET A 44 0.008 -16.681 -3.514 1.00 31.43 H new ATOM 0 HE1 MET A 44 3.208 -19.363 -1.549 1.00 53.11 H new ATOM 0 HE2 MET A 44 1.555 -19.955 -1.836 1.00 53.11 H new ATOM 0 HE3 MET A 44 2.589 -19.500 -3.211 1.00 53.11 H new ATOM 57 N THR A 45 -3.049 -16.117 -2.388 1.00 43.20 N ATOM 58 CA THR A 45 -3.419 -14.707 -2.390 1.00 75.23 C ATOM 59 C THR A 45 -2.204 -13.818 -2.156 1.00 71.31 C ATOM 60 O THR A 45 -1.619 -13.823 -1.073 1.00 22.23 O ATOM 61 CB THR A 45 -4.479 -14.404 -1.314 1.00 0.21 C ATOM 62 OG1 THR A 45 -5.653 -15.189 -1.547 1.00 1.43 O ATOM 63 CG2 THR A 45 -4.841 -12.926 -1.313 1.00 34.52 C ATOM 0 H THR A 45 -3.199 -16.591 -1.497 1.00 43.20 H new ATOM 0 HA THR A 45 -3.837 -14.491 -3.373 1.00 75.23 H new ATOM 0 HB THR A 45 -4.060 -14.660 -0.341 1.00 0.21 H new ATOM 0 HG1 THR A 45 -6.321 -14.991 -0.858 1.00 1.43 H new ATOM 0 HG21 THR A 45 -5.591 -12.736 -0.545 1.00 34.52 H new ATOM 0 HG22 THR A 45 -3.950 -12.333 -1.105 1.00 34.52 H new ATOM 0 HG23 THR A 45 -5.242 -12.649 -2.288 1.00 34.52 H new ATOM 71 N SER A 46 -1.828 -13.056 -3.178 1.00 12.22 N ATOM 72 CA SER A 46 -0.679 -12.164 -3.084 1.00 40.11 C ATOM 73 C SER A 46 -1.016 -10.930 -2.252 1.00 51.53 C ATOM 74 O SER A 46 -1.295 -9.861 -2.794 1.00 15.01 O ATOM 75 CB SER A 46 -0.220 -11.740 -4.481 1.00 65.32 C ATOM 76 OG SER A 46 -1.318 -11.332 -5.277 1.00 32.31 O ATOM 0 H SER A 46 -2.303 -13.039 -4.081 1.00 12.22 H new ATOM 0 HA SER A 46 0.130 -12.704 -2.591 1.00 40.11 H new ATOM 0 HB2 SER A 46 0.497 -10.923 -4.399 1.00 65.32 H new ATOM 0 HB3 SER A 46 0.296 -12.569 -4.965 1.00 65.32 H new ATOM 0 HG SER A 46 -1.862 -10.688 -4.778 1.00 32.31 H new ATOM 82 N GLU A 47 -0.988 -11.088 -0.933 1.00 2.23 N ATOM 83 CA GLU A 47 -1.291 -9.987 -0.025 1.00 73.01 C ATOM 84 C GLU A 47 -0.436 -8.765 -0.348 1.00 41.51 C ATOM 85 O GLU A 47 -0.930 -7.637 -0.376 1.00 34.24 O ATOM 86 CB GLU A 47 -1.061 -10.415 1.426 1.00 72.21 C ATOM 87 CG GLU A 47 0.332 -10.964 1.685 1.00 13.53 C ATOM 88 CD GLU A 47 0.469 -11.577 3.065 1.00 30.44 C ATOM 89 OE1 GLU A 47 -0.471 -11.433 3.875 1.00 61.34 O ATOM 90 OE2 GLU A 47 1.515 -12.203 3.335 1.00 42.21 O ATOM 0 H GLU A 47 -0.759 -11.967 -0.469 1.00 2.23 H new ATOM 0 HA GLU A 47 -2.340 -9.720 -0.155 1.00 73.01 H new ATOM 0 HB2 GLU A 47 -1.233 -9.560 2.080 1.00 72.21 H new ATOM 0 HB3 GLU A 47 -1.797 -11.173 1.693 1.00 72.21 H new ATOM 0 HG2 GLU A 47 0.568 -11.716 0.932 1.00 13.53 H new ATOM 0 HG3 GLU A 47 1.061 -10.162 1.574 1.00 13.53 H new ATOM 98 N LEU A 48 0.849 -8.996 -0.591 1.00 32.41 N ATOM 99 CA LEU A 48 1.774 -7.915 -0.911 1.00 71.33 C ATOM 100 C LEU A 48 1.289 -7.124 -2.122 1.00 31.04 C ATOM 101 O LEU A 48 1.486 -5.913 -2.202 1.00 4.32 O ATOM 102 CB LEU A 48 3.172 -8.476 -1.181 1.00 75.04 C ATOM 103 CG LEU A 48 3.254 -9.606 -2.208 1.00 72.14 C ATOM 104 CD1 LEU A 48 3.493 -9.044 -3.602 1.00 23.22 C ATOM 105 CD2 LEU A 48 4.353 -10.590 -1.832 1.00 54.52 C ATOM 0 H LEU A 48 1.274 -9.923 -0.573 1.00 32.41 H new ATOM 0 HA LEU A 48 1.818 -7.242 -0.054 1.00 71.33 H new ATOM 0 HB2 LEU A 48 3.811 -7.659 -1.517 1.00 75.04 H new ATOM 0 HB3 LEU A 48 3.585 -8.837 -0.239 1.00 75.04 H new ATOM 0 HG LEU A 48 2.303 -10.138 -2.211 1.00 72.14 H new ATOM 0 HD11 LEU A 48 3.549 -9.862 -4.320 1.00 23.22 H new ATOM 0 HD12 LEU A 48 2.672 -8.380 -3.872 1.00 23.22 H new ATOM 0 HD13 LEU A 48 4.430 -8.487 -3.614 1.00 23.22 H new ATOM 0 HD21 LEU A 48 4.397 -11.387 -2.574 1.00 54.52 H new ATOM 0 HD22 LEU A 48 5.311 -10.071 -1.800 1.00 54.52 H new ATOM 0 HD23 LEU A 48 4.139 -11.017 -0.852 1.00 54.52 H new ATOM 117 N GLN A 49 0.651 -7.818 -3.059 1.00 63.44 N ATOM 118 CA GLN A 49 0.137 -7.180 -4.265 1.00 53.21 C ATOM 119 C GLN A 49 -1.162 -6.436 -3.974 1.00 31.10 C ATOM 120 O GLN A 49 -1.378 -5.329 -4.466 1.00 1.23 O ATOM 121 CB GLN A 49 -0.093 -8.221 -5.361 1.00 23.42 C ATOM 122 CG GLN A 49 1.117 -8.440 -6.255 1.00 44.22 C ATOM 123 CD GLN A 49 1.242 -7.384 -7.336 1.00 61.21 C ATOM 124 OE1 GLN A 49 0.573 -7.453 -8.368 1.00 22.43 O ATOM 125 NE2 GLN A 49 2.102 -6.399 -7.107 1.00 4.24 N ATOM 0 H GLN A 49 0.478 -8.822 -3.006 1.00 63.44 H new ATOM 0 HA GLN A 49 0.879 -6.460 -4.609 1.00 53.21 H new ATOM 0 HB2 GLN A 49 -0.369 -9.169 -4.898 1.00 23.42 H new ATOM 0 HB3 GLN A 49 -0.937 -7.909 -5.976 1.00 23.42 H new ATOM 0 HG2 GLN A 49 2.020 -8.439 -5.645 1.00 44.22 H new ATOM 0 HG3 GLN A 49 1.048 -9.424 -6.719 1.00 44.22 H new ATOM 0 HE21 GLN A 49 2.636 -6.380 -6.238 1.00 4.24 H new ATOM 0 HE22 GLN A 49 2.228 -5.661 -7.800 1.00 4.24 H new ATOM 134 N MET A 50 -2.025 -7.053 -3.172 1.00 50.12 N ATOM 135 CA MET A 50 -3.303 -6.448 -2.816 1.00 41.53 C ATOM 136 C MET A 50 -3.094 -5.150 -2.043 1.00 2.31 C ATOM 137 O MET A 50 -3.889 -4.216 -2.149 1.00 52.45 O ATOM 138 CB MET A 50 -4.138 -7.422 -1.982 1.00 51.14 C ATOM 139 CG MET A 50 -5.521 -6.895 -1.639 1.00 34.35 C ATOM 140 SD MET A 50 -6.738 -8.213 -1.450 1.00 30.23 S ATOM 141 CE MET A 50 -5.818 -9.385 -0.455 1.00 11.52 C ATOM 0 H MET A 50 -1.862 -7.970 -2.757 1.00 50.12 H new ATOM 0 HA MET A 50 -3.837 -6.219 -3.738 1.00 41.53 H new ATOM 0 HB2 MET A 50 -4.240 -8.360 -2.528 1.00 51.14 H new ATOM 0 HB3 MET A 50 -3.604 -7.647 -1.059 1.00 51.14 H new ATOM 0 HG2 MET A 50 -5.468 -6.319 -0.715 1.00 34.35 H new ATOM 0 HG3 MET A 50 -5.850 -6.211 -2.422 1.00 34.35 H new ATOM 0 HE1 MET A 50 -6.512 -10.055 0.053 1.00 11.52 H new ATOM 0 HE2 MET A 50 -5.156 -9.967 -1.097 1.00 11.52 H new ATOM 0 HE3 MET A 50 -5.225 -8.848 0.285 1.00 11.52 H new ATOM 151 N LYS A 51 -2.018 -5.097 -1.265 1.00 3.30 N ATOM 152 CA LYS A 51 -1.702 -3.912 -0.474 1.00 60.13 C ATOM 153 C LYS A 51 -1.641 -2.670 -1.356 1.00 55.23 C ATOM 154 O LYS A 51 -2.177 -1.619 -1.004 1.00 72.21 O ATOM 155 CB LYS A 51 -0.369 -4.100 0.253 1.00 43.20 C ATOM 156 CG LYS A 51 -0.508 -4.747 1.620 1.00 52.31 C ATOM 157 CD LYS A 51 0.561 -4.254 2.581 1.00 20.43 C ATOM 158 CE LYS A 51 0.577 -5.072 3.864 1.00 73.14 C ATOM 159 NZ LYS A 51 0.933 -6.495 3.609 1.00 33.35 N ATOM 0 H LYS A 51 -1.350 -5.861 -1.165 1.00 3.30 H new ATOM 0 HA LYS A 51 -2.494 -3.775 0.262 1.00 60.13 H new ATOM 0 HB2 LYS A 51 0.289 -4.712 -0.364 1.00 43.20 H new ATOM 0 HB3 LYS A 51 0.113 -3.129 0.367 1.00 43.20 H new ATOM 0 HG2 LYS A 51 -1.495 -4.528 2.028 1.00 52.31 H new ATOM 0 HG3 LYS A 51 -0.437 -5.830 1.520 1.00 52.31 H new ATOM 0 HD2 LYS A 51 1.538 -4.310 2.100 1.00 20.43 H new ATOM 0 HD3 LYS A 51 0.382 -3.205 2.819 1.00 20.43 H new ATOM 0 HE2 LYS A 51 1.292 -4.638 4.563 1.00 73.14 H new ATOM 0 HE3 LYS A 51 -0.403 -5.022 4.339 1.00 73.14 H new ATOM 0 HZ1 LYS A 51 1.263 -6.934 4.492 1.00 33.35 H new ATOM 0 HZ2 LYS A 51 0.097 -7.005 3.260 1.00 33.35 H new ATOM 0 HZ3 LYS A 51 1.689 -6.541 2.896 1.00 33.35 H new ATOM 173 N VAL A 52 -0.987 -2.796 -2.506 1.00 65.32 N ATOM 174 CA VAL A 52 -0.859 -1.685 -3.441 1.00 3.33 C ATOM 175 C VAL A 52 -2.107 -1.545 -4.304 1.00 21.10 C ATOM 176 O VAL A 52 -2.680 -0.461 -4.414 1.00 72.04 O ATOM 177 CB VAL A 52 0.368 -1.859 -4.356 1.00 11.51 C ATOM 178 CG1 VAL A 52 0.579 -0.617 -5.208 1.00 11.23 C ATOM 179 CG2 VAL A 52 1.609 -2.165 -3.530 1.00 71.42 C ATOM 0 H VAL A 52 -0.537 -3.658 -2.813 1.00 65.32 H new ATOM 0 HA VAL A 52 -0.732 -0.783 -2.843 1.00 3.33 H new ATOM 0 HB VAL A 52 0.186 -2.702 -5.023 1.00 11.51 H new ATOM 0 HG11 VAL A 52 1.450 -0.758 -5.848 1.00 11.23 H new ATOM 0 HG12 VAL A 52 -0.302 -0.446 -5.827 1.00 11.23 H new ATOM 0 HG13 VAL A 52 0.740 0.245 -4.561 1.00 11.23 H new ATOM 0 HG21 VAL A 52 2.466 -2.285 -4.192 1.00 71.42 H new ATOM 0 HG22 VAL A 52 1.797 -1.344 -2.838 1.00 71.42 H new ATOM 0 HG23 VAL A 52 1.454 -3.086 -2.967 1.00 71.42 H new ATOM 189 N ASP A 53 -2.524 -2.649 -4.913 1.00 22.21 N ATOM 190 CA ASP A 53 -3.707 -2.651 -5.766 1.00 62.24 C ATOM 191 C ASP A 53 -4.900 -2.037 -5.042 1.00 12.44 C ATOM 192 O ASP A 53 -5.783 -1.446 -5.666 1.00 62.21 O ATOM 193 CB ASP A 53 -4.042 -4.077 -6.207 1.00 64.03 C ATOM 194 CG ASP A 53 -4.915 -4.110 -7.446 1.00 11.13 C ATOM 195 OD1 ASP A 53 -4.444 -4.604 -8.492 1.00 3.22 O ATOM 196 OD2 ASP A 53 -6.070 -3.643 -7.370 1.00 3.44 O ATOM 0 H ASP A 53 -2.061 -3.554 -4.832 1.00 22.21 H new ATOM 0 HA ASP A 53 -3.490 -2.048 -6.647 1.00 62.24 H new ATOM 0 HB2 ASP A 53 -3.118 -4.620 -6.403 1.00 64.03 H new ATOM 0 HB3 ASP A 53 -4.550 -4.596 -5.394 1.00 64.03 H new ATOM 202 N PHE A 54 -4.923 -2.181 -3.721 1.00 11.34 N ATOM 203 CA PHE A 54 -6.009 -1.642 -2.912 1.00 11.45 C ATOM 204 C PHE A 54 -6.059 -0.120 -3.012 1.00 4.32 C ATOM 205 O PHE A 54 -6.952 0.443 -3.645 1.00 14.23 O ATOM 206 CB PHE A 54 -5.842 -2.062 -1.450 1.00 22.44 C ATOM 207 CG PHE A 54 -6.955 -1.590 -0.559 1.00 21.31 C ATOM 208 CD1 PHE A 54 -8.082 -2.372 -0.363 1.00 54.12 C ATOM 209 CD2 PHE A 54 -6.873 -0.366 0.084 1.00 63.31 C ATOM 210 CE1 PHE A 54 -9.108 -1.939 0.456 1.00 21.21 C ATOM 211 CE2 PHE A 54 -7.896 0.071 0.905 1.00 41.53 C ATOM 212 CZ PHE A 54 -9.015 -0.717 1.092 1.00 45.43 C ATOM 0 H PHE A 54 -4.201 -2.667 -3.188 1.00 11.34 H new ATOM 0 HA PHE A 54 -6.947 -2.045 -3.294 1.00 11.45 H new ATOM 0 HB2 PHE A 54 -5.782 -3.149 -1.397 1.00 22.44 H new ATOM 0 HB3 PHE A 54 -4.896 -1.672 -1.074 1.00 22.44 H new ATOM 0 HD1 PHE A 54 -8.160 -3.330 -0.855 1.00 54.12 H new ATOM 0 HD2 PHE A 54 -6.000 0.254 -0.058 1.00 63.31 H new ATOM 0 HE1 PHE A 54 -9.982 -2.557 0.598 1.00 21.21 H new ATOM 0 HE2 PHE A 54 -7.820 1.028 1.400 1.00 41.53 H new ATOM 0 HZ PHE A 54 -9.815 -0.378 1.734 1.00 45.43 H new ATOM 222 N PHE A 55 -5.093 0.541 -2.381 1.00 31.41 N ATOM 223 CA PHE A 55 -5.027 1.997 -2.397 1.00 42.23 C ATOM 224 C PHE A 55 -5.019 2.525 -3.828 1.00 42.24 C ATOM 225 O PHE A 55 -5.426 3.659 -4.086 1.00 71.41 O ATOM 226 CB PHE A 55 -3.778 2.480 -1.657 1.00 62.13 C ATOM 227 CG PHE A 55 -3.959 2.567 -0.169 1.00 4.34 C ATOM 228 CD1 PHE A 55 -3.747 1.458 0.635 1.00 71.14 C ATOM 229 CD2 PHE A 55 -4.341 3.757 0.428 1.00 54.34 C ATOM 230 CE1 PHE A 55 -3.914 1.535 2.004 1.00 62.54 C ATOM 231 CE2 PHE A 55 -4.509 3.841 1.797 1.00 12.12 C ATOM 232 CZ PHE A 55 -4.294 2.728 2.587 1.00 71.23 C ATOM 0 H PHE A 55 -4.346 0.091 -1.853 1.00 31.41 H new ATOM 0 HA PHE A 55 -5.913 2.382 -1.891 1.00 42.23 H new ATOM 0 HB2 PHE A 55 -2.952 1.804 -1.875 1.00 62.13 H new ATOM 0 HB3 PHE A 55 -3.496 3.461 -2.039 1.00 62.13 H new ATOM 0 HD1 PHE A 55 -3.448 0.523 0.186 1.00 71.14 H new ATOM 0 HD2 PHE A 55 -4.510 4.630 -0.184 1.00 54.34 H new ATOM 0 HE1 PHE A 55 -3.747 0.663 2.618 1.00 62.54 H new ATOM 0 HE2 PHE A 55 -4.808 4.775 2.249 1.00 12.12 H new ATOM 0 HZ PHE A 55 -4.423 2.791 3.657 1.00 71.23 H new ATOM 242 N ARG A 56 -4.553 1.696 -4.756 1.00 42.14 N ATOM 243 CA ARG A 56 -4.490 2.079 -6.162 1.00 14.42 C ATOM 244 C ARG A 56 -5.880 2.416 -6.696 1.00 45.22 C ATOM 245 O ARG A 56 -6.023 3.200 -7.635 1.00 62.22 O ATOM 246 CB ARG A 56 -3.872 0.954 -6.993 1.00 21.34 C ATOM 247 CG ARG A 56 -2.354 0.921 -6.941 1.00 43.13 C ATOM 248 CD ARG A 56 -1.741 1.463 -8.223 1.00 52.04 C ATOM 249 NE ARG A 56 -2.151 0.691 -9.394 1.00 55.43 N ATOM 250 CZ ARG A 56 -1.604 -0.470 -9.738 1.00 15.35 C ATOM 251 NH1 ARG A 56 -0.631 -0.991 -9.003 1.00 31.30 N ATOM 252 NH2 ARG A 56 -2.032 -1.112 -10.817 1.00 44.23 N ATOM 0 H ARG A 56 -4.213 0.754 -4.560 1.00 42.14 H new ATOM 0 HA ARG A 56 -3.863 2.967 -6.243 1.00 14.42 H new ATOM 0 HB2 ARG A 56 -4.260 -0.002 -6.640 1.00 21.34 H new ATOM 0 HB3 ARG A 56 -4.189 1.064 -8.030 1.00 21.34 H new ATOM 0 HG2 ARG A 56 -2.005 1.509 -6.092 1.00 43.13 H new ATOM 0 HG3 ARG A 56 -2.016 -0.103 -6.779 1.00 43.13 H new ATOM 0 HD2 ARG A 56 -2.035 2.504 -8.354 1.00 52.04 H new ATOM 0 HD3 ARG A 56 -0.654 1.447 -8.140 1.00 52.04 H new ATOM 0 HE ARG A 56 -2.898 1.064 -9.980 1.00 55.43 H new ATOM 0 HH11 ARG A 56 -0.301 -0.500 -8.172 1.00 31.30 H new ATOM 0 HH12 ARG A 56 -0.212 -1.882 -9.269 1.00 31.30 H new ATOM 0 HH21 ARG A 56 -2.781 -0.714 -11.383 1.00 44.23 H new ATOM 0 HH22 ARG A 56 -1.612 -2.003 -11.080 1.00 44.23 H new ATOM 266 N LYS A 57 -6.901 1.819 -6.091 1.00 60.24 N ATOM 267 CA LYS A 57 -8.279 2.054 -6.504 1.00 52.54 C ATOM 268 C LYS A 57 -8.912 3.167 -5.675 1.00 74.43 C ATOM 269 O LYS A 57 -9.885 3.794 -6.098 1.00 1.22 O ATOM 270 CB LYS A 57 -9.101 0.771 -6.368 1.00 41.23 C ATOM 271 CG LYS A 57 -9.656 0.550 -4.972 1.00 75.45 C ATOM 272 CD LYS A 57 -9.656 -0.924 -4.599 1.00 4.53 C ATOM 273 CE LYS A 57 -10.569 -1.730 -5.510 1.00 13.52 C ATOM 274 NZ LYS A 57 -11.971 -1.228 -5.473 1.00 73.41 N ATOM 0 H LYS A 57 -6.800 1.168 -5.312 1.00 60.24 H new ATOM 0 HA LYS A 57 -8.271 2.362 -7.549 1.00 52.54 H new ATOM 0 HB2 LYS A 57 -9.928 0.802 -7.078 1.00 41.23 H new ATOM 0 HB3 LYS A 57 -8.478 -0.081 -6.641 1.00 41.23 H new ATOM 0 HG2 LYS A 57 -9.061 1.109 -4.250 1.00 75.45 H new ATOM 0 HG3 LYS A 57 -10.672 0.940 -4.917 1.00 75.45 H new ATOM 0 HD2 LYS A 57 -8.641 -1.316 -4.661 1.00 4.53 H new ATOM 0 HD3 LYS A 57 -9.980 -1.039 -3.564 1.00 4.53 H new ATOM 0 HE2 LYS A 57 -10.194 -1.685 -6.532 1.00 13.52 H new ATOM 0 HE3 LYS A 57 -10.550 -2.777 -5.209 1.00 13.52 H new ATOM 0 HZ1 LYS A 57 -12.627 -2.033 -5.412 1.00 73.41 H new ATOM 0 HZ2 LYS A 57 -12.098 -0.614 -4.643 1.00 73.41 H new ATOM 0 HZ3 LYS A 57 -12.168 -0.686 -6.338 1.00 73.41 H new ATOM 288 N LEU A 58 -8.355 3.408 -4.494 1.00 15.31 N ATOM 289 CA LEU A 58 -8.865 4.447 -3.605 1.00 2.12 C ATOM 290 C LEU A 58 -8.786 5.818 -4.268 1.00 74.41 C ATOM 291 O LEU A 58 -9.471 6.756 -3.863 1.00 32.05 O ATOM 292 CB LEU A 58 -8.077 4.456 -2.294 1.00 24.22 C ATOM 293 CG LEU A 58 -8.649 3.603 -1.161 1.00 30.02 C ATOM 294 CD1 LEU A 58 -9.983 4.164 -0.693 1.00 34.31 C ATOM 295 CD2 LEU A 58 -8.804 2.157 -1.607 1.00 64.44 C ATOM 0 H LEU A 58 -7.550 2.899 -4.129 1.00 15.31 H new ATOM 0 HA LEU A 58 -9.911 4.227 -3.392 1.00 2.12 H new ATOM 0 HB2 LEU A 58 -7.062 4.116 -2.501 1.00 24.22 H new ATOM 0 HB3 LEU A 58 -8.003 5.486 -1.945 1.00 24.22 H new ATOM 0 HG LEU A 58 -7.952 3.631 -0.324 1.00 30.02 H new ATOM 0 HD11 LEU A 58 -10.375 3.545 0.113 1.00 34.31 H new ATOM 0 HD12 LEU A 58 -9.843 5.183 -0.332 1.00 34.31 H new ATOM 0 HD13 LEU A 58 -10.688 4.167 -1.524 1.00 34.31 H new ATOM 0 HD21 LEU A 58 -9.212 1.565 -0.788 1.00 64.44 H new ATOM 0 HD22 LEU A 58 -9.480 2.110 -2.461 1.00 64.44 H new ATOM 0 HD23 LEU A 58 -7.831 1.758 -1.893 1.00 64.44 H new ATOM 307 N GLY A 59 -7.947 5.927 -5.294 1.00 23.22 N ATOM 308 CA GLY A 59 -7.795 7.187 -5.999 1.00 35.55 C ATOM 309 C GLY A 59 -6.404 7.769 -5.852 1.00 4.14 C ATOM 310 O GLY A 59 -6.211 8.977 -5.989 1.00 0.22 O ATOM 0 H GLY A 59 -7.370 5.165 -5.650 1.00 23.22 H new ATOM 0 HA2 GLY A 59 -8.013 7.037 -7.056 1.00 35.55 H new ATOM 0 HA3 GLY A 59 -8.526 7.902 -5.621 1.00 35.55 H new ATOM 314 N TYR A 60 -5.431 6.908 -5.573 1.00 2.34 N ATOM 315 CA TYR A 60 -4.050 7.346 -5.403 1.00 63.25 C ATOM 316 C TYR A 60 -3.216 7.007 -6.636 1.00 20.14 C ATOM 317 O TYR A 60 -3.732 6.479 -7.622 1.00 3.34 O ATOM 318 CB TYR A 60 -3.435 6.694 -4.164 1.00 70.11 C ATOM 319 CG TYR A 60 -3.871 7.333 -2.864 1.00 71.45 C ATOM 320 CD1 TYR A 60 -3.426 8.600 -2.507 1.00 40.33 C ATOM 321 CD2 TYR A 60 -4.727 6.670 -1.994 1.00 24.10 C ATOM 322 CE1 TYR A 60 -3.821 9.187 -1.321 1.00 53.22 C ATOM 323 CE2 TYR A 60 -5.128 7.250 -0.806 1.00 74.34 C ATOM 324 CZ TYR A 60 -4.673 8.509 -0.474 1.00 70.34 C ATOM 325 OH TYR A 60 -5.070 9.090 0.708 1.00 21.03 O ATOM 0 H TYR A 60 -5.573 5.904 -5.460 1.00 2.34 H new ATOM 0 HA TYR A 60 -4.052 8.428 -5.273 1.00 63.25 H new ATOM 0 HB2 TYR A 60 -3.704 5.638 -4.148 1.00 70.11 H new ATOM 0 HB3 TYR A 60 -2.349 6.745 -4.238 1.00 70.11 H new ATOM 0 HD1 TYR A 60 -2.760 9.135 -3.168 1.00 40.33 H new ATOM 0 HD2 TYR A 60 -5.085 5.684 -2.251 1.00 24.10 H new ATOM 0 HE1 TYR A 60 -3.465 10.172 -1.058 1.00 53.22 H new ATOM 0 HE2 TYR A 60 -5.794 6.720 -0.141 1.00 74.34 H new ATOM 0 HH TYR A 60 -5.670 8.481 1.187 1.00 21.03 H new ATOM 335 N SER A 61 -1.925 7.314 -6.571 1.00 64.50 N ATOM 336 CA SER A 61 -1.019 7.045 -7.682 1.00 44.35 C ATOM 337 C SER A 61 -0.127 5.845 -7.378 1.00 64.34 C ATOM 338 O SER A 61 0.390 5.707 -6.270 1.00 32.33 O ATOM 339 CB SER A 61 -0.156 8.275 -7.973 1.00 73.42 C ATOM 340 OG SER A 61 -0.305 8.694 -9.319 1.00 41.42 O ATOM 0 H SER A 61 -1.483 7.749 -5.761 1.00 64.50 H new ATOM 0 HA SER A 61 -1.621 6.815 -8.561 1.00 44.35 H new ATOM 0 HB2 SER A 61 -0.437 9.087 -7.302 1.00 73.42 H new ATOM 0 HB3 SER A 61 0.891 8.045 -7.774 1.00 73.42 H new ATOM 0 HG SER A 61 0.255 9.482 -9.480 1.00 41.42 H new ATOM 346 N SER A 62 0.049 4.980 -8.372 1.00 32.33 N ATOM 347 CA SER A 62 0.876 3.789 -8.211 1.00 53.42 C ATOM 348 C SER A 62 2.264 4.156 -7.697 1.00 14.51 C ATOM 349 O SER A 62 2.807 3.492 -6.814 1.00 15.14 O ATOM 350 CB SER A 62 0.993 3.041 -9.540 1.00 74.53 C ATOM 351 OG SER A 62 1.634 3.839 -10.520 1.00 54.20 O ATOM 0 H SER A 62 -0.370 5.081 -9.297 1.00 32.33 H new ATOM 0 HA SER A 62 0.397 3.140 -7.478 1.00 53.42 H new ATOM 0 HB2 SER A 62 1.555 2.119 -9.393 1.00 74.53 H new ATOM 0 HB3 SER A 62 0.000 2.757 -9.890 1.00 74.53 H new ATOM 0 HG SER A 62 1.698 3.338 -11.360 1.00 54.20 H new ATOM 357 N SER A 63 2.833 5.219 -8.256 1.00 51.23 N ATOM 358 CA SER A 63 4.160 5.674 -7.858 1.00 11.33 C ATOM 359 C SER A 63 4.173 6.096 -6.391 1.00 74.21 C ATOM 360 O SER A 63 5.209 6.052 -5.731 1.00 64.24 O ATOM 361 CB SER A 63 4.608 6.842 -8.740 1.00 21.11 C ATOM 362 OG SER A 63 5.781 7.449 -8.224 1.00 55.44 O ATOM 0 H SER A 63 2.396 5.781 -8.986 1.00 51.23 H new ATOM 0 HA SER A 63 4.855 4.844 -7.986 1.00 11.33 H new ATOM 0 HB2 SER A 63 4.794 6.486 -9.753 1.00 21.11 H new ATOM 0 HB3 SER A 63 3.810 7.581 -8.803 1.00 21.11 H new ATOM 0 HG SER A 63 6.048 8.191 -8.806 1.00 55.44 H new ATOM 368 N GLU A 64 3.011 6.505 -5.889 1.00 71.52 N ATOM 369 CA GLU A 64 2.888 6.935 -4.502 1.00 30.42 C ATOM 370 C GLU A 64 2.797 5.733 -3.566 1.00 73.01 C ATOM 371 O GLU A 64 3.576 5.609 -2.621 1.00 14.13 O ATOM 372 CB GLU A 64 1.657 7.827 -4.328 1.00 72.43 C ATOM 373 CG GLU A 64 1.716 9.110 -5.138 1.00 75.14 C ATOM 374 CD GLU A 64 1.829 10.346 -4.267 1.00 74.43 C ATOM 375 OE1 GLU A 64 2.638 11.236 -4.603 1.00 32.40 O ATOM 376 OE2 GLU A 64 1.109 10.422 -3.249 1.00 54.54 O ATOM 0 H GLU A 64 2.143 6.547 -6.423 1.00 71.52 H new ATOM 0 HA GLU A 64 3.780 7.507 -4.245 1.00 30.42 H new ATOM 0 HB2 GLU A 64 0.768 7.266 -4.617 1.00 72.43 H new ATOM 0 HB3 GLU A 64 1.547 8.078 -3.273 1.00 72.43 H new ATOM 0 HG2 GLU A 64 2.569 9.068 -5.815 1.00 75.14 H new ATOM 0 HG3 GLU A 64 0.821 9.186 -5.756 1.00 75.14 H new ATOM 384 N ILE A 65 1.839 4.852 -3.836 1.00 14.44 N ATOM 385 CA ILE A 65 1.646 3.661 -3.018 1.00 54.31 C ATOM 386 C ILE A 65 2.855 2.737 -3.098 1.00 64.15 C ATOM 387 O ILE A 65 3.410 2.332 -2.077 1.00 2.12 O ATOM 388 CB ILE A 65 0.389 2.882 -3.448 1.00 53.03 C ATOM 389 CG1 ILE A 65 -0.854 3.765 -3.321 1.00 73.31 C ATOM 390 CG2 ILE A 65 0.236 1.620 -2.612 1.00 74.12 C ATOM 391 CD1 ILE A 65 -1.986 3.352 -4.237 1.00 4.41 C ATOM 0 H ILE A 65 1.185 4.941 -4.614 1.00 14.44 H new ATOM 0 HA ILE A 65 1.520 4.001 -1.990 1.00 54.31 H new ATOM 0 HB ILE A 65 0.500 2.592 -4.493 1.00 53.03 H new ATOM 0 HG12 ILE A 65 -1.204 3.739 -2.289 1.00 73.31 H new ATOM 0 HG13 ILE A 65 -0.580 4.797 -3.538 1.00 73.31 H new ATOM 0 HG21 ILE A 65 -0.657 1.080 -2.928 1.00 74.12 H new ATOM 0 HG22 ILE A 65 1.111 0.985 -2.749 1.00 74.12 H new ATOM 0 HG23 ILE A 65 0.144 1.889 -1.560 1.00 74.12 H new ATOM 0 HD11 ILE A 65 -2.834 4.022 -4.093 1.00 4.41 H new ATOM 0 HD12 ILE A 65 -1.653 3.406 -5.274 1.00 4.41 H new ATOM 0 HD13 ILE A 65 -2.287 2.331 -4.005 1.00 4.41 H new ATOM 403 N HIS A 66 3.261 2.407 -4.320 1.00 70.25 N ATOM 404 CA HIS A 66 4.407 1.532 -4.535 1.00 63.22 C ATOM 405 C HIS A 66 5.655 2.093 -3.859 1.00 12.54 C ATOM 406 O HIS A 66 6.568 1.349 -3.502 1.00 64.23 O ATOM 407 CB HIS A 66 4.664 1.350 -6.032 1.00 30.50 C ATOM 408 CG HIS A 66 5.316 0.045 -6.374 1.00 34.45 C ATOM 409 ND1 HIS A 66 6.639 -0.230 -6.102 1.00 62.11 N ATOM 410 CD2 HIS A 66 4.816 -1.065 -6.966 1.00 21.20 C ATOM 411 CE1 HIS A 66 6.927 -1.451 -6.516 1.00 34.25 C ATOM 412 NE2 HIS A 66 5.838 -1.980 -7.043 1.00 35.02 N ATOM 0 H HIS A 66 2.813 2.733 -5.176 1.00 70.25 H new ATOM 0 HA HIS A 66 4.179 0.563 -4.092 1.00 63.22 H new ATOM 0 HB2 HIS A 66 3.717 1.425 -6.566 1.00 30.50 H new ATOM 0 HB3 HIS A 66 5.295 2.166 -6.386 1.00 30.50 H new ATOM 0 HD2 HIS A 66 3.803 -1.205 -7.313 1.00 21.20 H new ATOM 0 HE1 HIS A 66 7.890 -1.934 -6.437 1.00 34.25 H new ATOM 0 HE2 HIS A 66 5.767 -2.916 -7.442 1.00 35.02 H new ATOM 421 N SER A 67 5.685 3.410 -3.685 1.00 1.42 N ATOM 422 CA SER A 67 6.821 4.073 -3.055 1.00 30.23 C ATOM 423 C SER A 67 6.819 3.839 -1.548 1.00 31.22 C ATOM 424 O SER A 67 7.732 3.218 -1.002 1.00 52.25 O ATOM 425 CB SER A 67 6.791 5.574 -3.349 1.00 23.30 C ATOM 426 OG SER A 67 7.389 6.311 -2.298 1.00 2.41 O ATOM 0 H SER A 67 4.935 4.040 -3.972 1.00 1.42 H new ATOM 0 HA SER A 67 7.734 3.647 -3.471 1.00 30.23 H new ATOM 0 HB2 SER A 67 7.316 5.775 -4.283 1.00 23.30 H new ATOM 0 HB3 SER A 67 5.760 5.901 -3.486 1.00 23.30 H new ATOM 0 HG SER A 67 7.359 7.267 -2.511 1.00 2.41 H new ATOM 432 N VAL A 68 5.785 4.340 -0.879 1.00 22.54 N ATOM 433 CA VAL A 68 5.661 4.185 0.566 1.00 20.42 C ATOM 434 C VAL A 68 5.787 2.721 0.974 1.00 31.02 C ATOM 435 O VAL A 68 6.384 2.401 2.003 1.00 22.43 O ATOM 436 CB VAL A 68 4.317 4.736 1.077 1.00 62.15 C ATOM 437 CG1 VAL A 68 4.266 6.248 0.922 1.00 24.44 C ATOM 438 CG2 VAL A 68 3.158 4.077 0.342 1.00 3.43 C ATOM 0 H VAL A 68 5.021 4.857 -1.315 1.00 22.54 H new ATOM 0 HA VAL A 68 6.473 4.756 1.017 1.00 20.42 H new ATOM 0 HB VAL A 68 4.227 4.501 2.137 1.00 62.15 H new ATOM 0 HG11 VAL A 68 3.309 6.619 1.288 1.00 24.44 H new ATOM 0 HG12 VAL A 68 5.075 6.700 1.496 1.00 24.44 H new ATOM 0 HG13 VAL A 68 4.378 6.510 -0.130 1.00 24.44 H new ATOM 0 HG21 VAL A 68 2.216 4.478 0.715 1.00 3.43 H new ATOM 0 HG22 VAL A 68 3.241 4.280 -0.726 1.00 3.43 H new ATOM 0 HG23 VAL A 68 3.186 3.000 0.509 1.00 3.43 H new ATOM 448 N LEU A 69 5.220 1.836 0.163 1.00 35.33 N ATOM 449 CA LEU A 69 5.267 0.404 0.439 1.00 32.52 C ATOM 450 C LEU A 69 6.691 -0.127 0.313 1.00 63.21 C ATOM 451 O LEU A 69 7.065 -1.092 0.980 1.00 11.42 O ATOM 452 CB LEU A 69 4.342 -0.351 -0.517 1.00 32.15 C ATOM 453 CG LEU A 69 2.980 -0.756 0.048 1.00 60.14 C ATOM 454 CD1 LEU A 69 3.146 -1.766 1.171 1.00 72.40 C ATOM 455 CD2 LEU A 69 2.220 0.469 0.537 1.00 73.21 C ATOM 0 H LEU A 69 4.722 2.084 -0.692 1.00 35.33 H new ATOM 0 HA LEU A 69 4.928 0.245 1.463 1.00 32.52 H new ATOM 0 HB2 LEU A 69 4.178 0.270 -1.398 1.00 32.15 H new ATOM 0 HB3 LEU A 69 4.856 -1.252 -0.853 1.00 32.15 H new ATOM 0 HG LEU A 69 2.402 -1.223 -0.749 1.00 60.14 H new ATOM 0 HD11 LEU A 69 2.166 -2.042 1.560 1.00 72.40 H new ATOM 0 HD12 LEU A 69 3.648 -2.655 0.790 1.00 72.40 H new ATOM 0 HD13 LEU A 69 3.743 -1.327 1.970 1.00 72.40 H new ATOM 0 HD21 LEU A 69 1.253 0.162 0.936 1.00 73.21 H new ATOM 0 HD22 LEU A 69 2.794 0.965 1.319 1.00 73.21 H new ATOM 0 HD23 LEU A 69 2.068 1.158 -0.294 1.00 73.21 H new ATOM 467 N GLN A 70 7.481 0.509 -0.546 1.00 42.12 N ATOM 468 CA GLN A 70 8.865 0.100 -0.759 1.00 31.04 C ATOM 469 C GLN A 70 9.744 0.530 0.411 1.00 71.11 C ATOM 470 O GLN A 70 10.752 -0.111 0.711 1.00 1.24 O ATOM 471 CB GLN A 70 9.400 0.697 -2.061 1.00 41.10 C ATOM 472 CG GLN A 70 10.894 0.490 -2.256 1.00 52.30 C ATOM 473 CD GLN A 70 11.272 -0.975 -2.356 1.00 74.13 C ATOM 474 OE1 GLN A 70 10.910 -1.657 -3.315 1.00 51.35 O ATOM 475 NE2 GLN A 70 12.005 -1.467 -1.364 1.00 12.40 N ATOM 0 H GLN A 70 7.187 1.309 -1.106 1.00 42.12 H new ATOM 0 HA GLN A 70 8.891 -0.987 -0.829 1.00 31.04 H new ATOM 0 HB2 GLN A 70 8.867 0.252 -2.901 1.00 41.10 H new ATOM 0 HB3 GLN A 70 9.184 1.765 -2.077 1.00 41.10 H new ATOM 0 HG2 GLN A 70 11.213 1.006 -3.161 1.00 52.30 H new ATOM 0 HG3 GLN A 70 11.432 0.944 -1.424 1.00 52.30 H new ATOM 0 HE21 GLN A 70 12.283 -0.866 -0.588 1.00 12.40 H new ATOM 0 HE22 GLN A 70 12.290 -2.446 -1.378 1.00 12.40 H new ATOM 484 N LYS A 71 9.357 1.617 1.067 1.00 10.51 N ATOM 485 CA LYS A 71 10.110 2.134 2.206 1.00 51.03 C ATOM 486 C LYS A 71 9.608 1.523 3.510 1.00 5.45 C ATOM 487 O LYS A 71 10.368 1.374 4.469 1.00 74.31 O ATOM 488 CB LYS A 71 9.998 3.659 2.267 1.00 31.22 C ATOM 489 CG LYS A 71 11.134 4.320 3.030 1.00 54.14 C ATOM 490 CD LYS A 71 12.338 4.564 2.136 1.00 23.22 C ATOM 491 CE LYS A 71 13.585 4.868 2.953 1.00 63.22 C ATOM 492 NZ LYS A 71 14.562 5.691 2.187 1.00 14.55 N ATOM 0 H LYS A 71 8.526 2.159 0.831 1.00 10.51 H new ATOM 0 HA LYS A 71 11.156 1.858 2.075 1.00 51.03 H new ATOM 0 HB2 LYS A 71 9.974 4.055 1.252 1.00 31.22 H new ATOM 0 HB3 LYS A 71 9.051 3.927 2.736 1.00 31.22 H new ATOM 0 HG2 LYS A 71 10.791 5.267 3.447 1.00 54.14 H new ATOM 0 HG3 LYS A 71 11.425 3.689 3.870 1.00 54.14 H new ATOM 0 HD2 LYS A 71 12.514 3.687 1.513 1.00 23.22 H new ATOM 0 HD3 LYS A 71 12.131 5.396 1.463 1.00 23.22 H new ATOM 0 HE2 LYS A 71 13.303 5.394 3.865 1.00 63.22 H new ATOM 0 HE3 LYS A 71 14.057 3.934 3.257 1.00 63.22 H new ATOM 0 HZ1 LYS A 71 15.398 5.877 2.778 1.00 14.55 H new ATOM 0 HZ2 LYS A 71 14.851 5.178 1.330 1.00 14.55 H new ATOM 0 HZ3 LYS A 71 14.120 6.593 1.918 1.00 14.55 H new ATOM 506 N LEU A 72 8.328 1.172 3.540 1.00 2.11 N ATOM 507 CA LEU A 72 7.726 0.576 4.728 1.00 13.11 C ATOM 508 C LEU A 72 7.894 -0.940 4.722 1.00 42.03 C ATOM 509 O LEU A 72 8.473 -1.515 5.643 1.00 14.41 O ATOM 510 CB LEU A 72 6.240 0.935 4.806 1.00 63.21 C ATOM 511 CG LEU A 72 5.897 2.206 5.582 1.00 11.40 C ATOM 512 CD1 LEU A 72 6.725 3.379 5.081 1.00 65.21 C ATOM 513 CD2 LEU A 72 4.412 2.515 5.471 1.00 35.30 C ATOM 0 H LEU A 72 7.686 1.289 2.756 1.00 2.11 H new ATOM 0 HA LEU A 72 8.237 0.976 5.603 1.00 13.11 H new ATOM 0 HB2 LEU A 72 5.858 1.039 3.790 1.00 63.21 H new ATOM 0 HB3 LEU A 72 5.708 0.100 5.262 1.00 63.21 H new ATOM 0 HG LEU A 72 6.136 2.041 6.633 1.00 11.40 H new ATOM 0 HD11 LEU A 72 6.466 4.275 5.646 1.00 65.21 H new ATOM 0 HD12 LEU A 72 7.784 3.160 5.214 1.00 65.21 H new ATOM 0 HD13 LEU A 72 6.519 3.545 4.024 1.00 65.21 H new ATOM 0 HD21 LEU A 72 4.187 3.423 6.030 1.00 35.30 H new ATOM 0 HD22 LEU A 72 4.148 2.658 4.423 1.00 35.30 H new ATOM 0 HD23 LEU A 72 3.836 1.685 5.880 1.00 35.30 H new ATOM 525 N GLY A 73 7.387 -1.583 3.674 1.00 62.23 N ATOM 526 CA GLY A 73 7.494 -3.026 3.566 1.00 1.22 C ATOM 527 C GLY A 73 6.215 -3.734 3.968 1.00 51.23 C ATOM 528 O GLY A 73 5.117 -3.279 3.644 1.00 31.43 O ATOM 0 H GLY A 73 6.904 -1.130 2.898 1.00 62.23 H new ATOM 0 HA2 GLY A 73 7.746 -3.293 2.540 1.00 1.22 H new ATOM 0 HA3 GLY A 73 8.312 -3.375 4.196 1.00 1.22 H new ATOM 532 N VAL A 74 6.355 -4.852 4.674 1.00 43.42 N ATOM 533 CA VAL A 74 5.202 -5.623 5.120 1.00 31.43 C ATOM 534 C VAL A 74 4.844 -5.293 6.564 1.00 1.20 C ATOM 535 O VAL A 74 3.709 -5.497 6.995 1.00 33.12 O ATOM 536 CB VAL A 74 5.461 -7.138 5.001 1.00 12.21 C ATOM 537 CG1 VAL A 74 4.226 -7.925 5.416 1.00 43.42 C ATOM 538 CG2 VAL A 74 5.879 -7.496 3.583 1.00 41.42 C ATOM 0 H VAL A 74 7.256 -5.243 4.949 1.00 43.42 H new ATOM 0 HA VAL A 74 4.369 -5.351 4.471 1.00 31.43 H new ATOM 0 HB VAL A 74 6.276 -7.404 5.674 1.00 12.21 H new ATOM 0 HG11 VAL A 74 4.427 -8.992 5.326 1.00 43.42 H new ATOM 0 HG12 VAL A 74 3.975 -7.689 6.450 1.00 43.42 H new ATOM 0 HG13 VAL A 74 3.390 -7.657 4.770 1.00 43.42 H new ATOM 0 HG21 VAL A 74 6.058 -8.569 3.516 1.00 41.42 H new ATOM 0 HG22 VAL A 74 5.087 -7.216 2.889 1.00 41.42 H new ATOM 0 HG23 VAL A 74 6.792 -6.959 3.326 1.00 41.42 H new ATOM 548 N GLN A 75 5.819 -4.780 7.308 1.00 3.10 N ATOM 549 CA GLN A 75 5.607 -4.421 8.704 1.00 12.35 C ATOM 550 C GLN A 75 4.629 -3.256 8.824 1.00 30.32 C ATOM 551 O GLN A 75 4.049 -3.026 9.885 1.00 72.43 O ATOM 552 CB GLN A 75 6.936 -4.057 9.367 1.00 10.44 C ATOM 553 CG GLN A 75 7.876 -5.239 9.535 1.00 5.11 C ATOM 554 CD GLN A 75 8.823 -5.071 10.707 1.00 30.13 C ATOM 555 OE1 GLN A 75 8.520 -4.363 11.668 1.00 70.53 O ATOM 556 NE2 GLN A 75 9.979 -5.722 10.634 1.00 75.14 N ATOM 0 H GLN A 75 6.764 -4.604 6.966 1.00 3.10 H new ATOM 0 HA GLN A 75 5.180 -5.284 9.214 1.00 12.35 H new ATOM 0 HB2 GLN A 75 7.432 -3.291 8.771 1.00 10.44 H new ATOM 0 HB3 GLN A 75 6.737 -3.620 10.346 1.00 10.44 H new ATOM 0 HG2 GLN A 75 7.290 -6.147 9.674 1.00 5.11 H new ATOM 0 HG3 GLN A 75 8.455 -5.370 8.621 1.00 5.11 H new ATOM 0 HE21 GLN A 75 10.189 -6.298 9.819 1.00 75.14 H new ATOM 0 HE22 GLN A 75 10.656 -5.646 11.393 1.00 75.14 H new ATOM 565 N ALA A 76 4.453 -2.523 7.730 1.00 70.14 N ATOM 566 CA ALA A 76 3.545 -1.383 7.711 1.00 4.24 C ATOM 567 C ALA A 76 2.167 -1.770 8.238 1.00 24.53 C ATOM 568 O ALA A 76 1.875 -2.951 8.432 1.00 50.54 O ATOM 569 CB ALA A 76 3.434 -0.819 6.303 1.00 61.24 C ATOM 0 H ALA A 76 4.928 -2.698 6.844 1.00 70.14 H new ATOM 0 HA ALA A 76 3.954 -0.614 8.367 1.00 4.24 H new ATOM 0 HB1 ALA A 76 2.753 0.032 6.305 1.00 61.24 H new ATOM 0 HB2 ALA A 76 4.417 -0.496 5.962 1.00 61.24 H new ATOM 0 HB3 ALA A 76 3.052 -1.588 5.632 1.00 61.24 H new ATOM 575 N ASP A 77 1.325 -0.769 8.470 1.00 63.11 N ATOM 576 CA ASP A 77 -0.023 -1.006 8.974 1.00 41.31 C ATOM 577 C ASP A 77 -1.045 -0.179 8.201 1.00 42.31 C ATOM 578 O ASP A 77 -0.697 0.800 7.539 1.00 61.01 O ATOM 579 CB ASP A 77 -0.099 -0.669 10.464 1.00 11.34 C ATOM 580 CG ASP A 77 1.193 -0.979 11.195 1.00 61.42 C ATOM 581 OD1 ASP A 77 1.892 -0.025 11.597 1.00 72.54 O ATOM 582 OD2 ASP A 77 1.504 -2.176 11.365 1.00 24.12 O ATOM 0 H ASP A 77 1.552 0.214 8.317 1.00 63.11 H new ATOM 0 HA ASP A 77 -0.256 -2.062 8.835 1.00 41.31 H new ATOM 0 HB2 ASP A 77 -0.335 0.388 10.583 1.00 11.34 H new ATOM 0 HB3 ASP A 77 -0.914 -1.231 10.919 1.00 11.34 H new ATOM 588 N THR A 78 -2.310 -0.580 8.287 1.00 65.01 N ATOM 589 CA THR A 78 -3.383 0.121 7.593 1.00 43.34 C ATOM 590 C THR A 78 -3.352 1.615 7.900 1.00 61.52 C ATOM 591 O THR A 78 -3.732 2.437 7.067 1.00 54.10 O ATOM 592 CB THR A 78 -4.764 -0.442 7.979 1.00 2.51 C ATOM 593 OG1 THR A 78 -4.762 -1.869 7.856 1.00 13.53 O ATOM 594 CG2 THR A 78 -5.854 0.147 7.097 1.00 3.33 C ATOM 0 H THR A 78 -2.616 -1.387 8.831 1.00 65.01 H new ATOM 0 HA THR A 78 -3.222 -0.032 6.526 1.00 43.34 H new ATOM 0 HB THR A 78 -4.969 -0.167 9.014 1.00 2.51 H new ATOM 0 HG1 THR A 78 -5.643 -2.220 8.105 1.00 13.53 H new ATOM 0 HG21 THR A 78 -6.820 -0.265 7.388 1.00 3.33 H new ATOM 0 HG22 THR A 78 -5.871 1.230 7.215 1.00 3.33 H new ATOM 0 HG23 THR A 78 -5.653 -0.101 6.055 1.00 3.33 H new ATOM 602 N ASN A 79 -2.896 1.958 9.100 1.00 1.03 N ATOM 603 CA ASN A 79 -2.815 3.353 9.516 1.00 13.41 C ATOM 604 C ASN A 79 -1.565 4.019 8.948 1.00 22.34 C ATOM 605 O ASN A 79 -1.625 5.128 8.417 1.00 14.12 O ATOM 606 CB ASN A 79 -2.810 3.452 11.043 1.00 12.42 C ATOM 607 CG ASN A 79 -3.724 2.430 11.692 1.00 64.45 C ATOM 608 OD1 ASN A 79 -4.945 2.505 11.566 1.00 14.11 O ATOM 609 ND2 ASN A 79 -3.131 1.467 12.390 1.00 12.30 N ATOM 0 H ASN A 79 -2.577 1.289 9.801 1.00 1.03 H new ATOM 0 HA ASN A 79 -3.690 3.873 9.127 1.00 13.41 H new ATOM 0 HB2 ASN A 79 -1.793 3.311 11.410 1.00 12.42 H new ATOM 0 HB3 ASN A 79 -3.120 4.454 11.340 1.00 12.42 H new ATOM 0 HD21 ASN A 79 -3.693 0.750 12.849 1.00 12.30 H new ATOM 0 HD22 ASN A 79 -2.114 1.445 12.467 1.00 12.30 H new ATOM 616 N THR A 80 -0.432 3.334 9.064 1.00 64.30 N ATOM 617 CA THR A 80 0.832 3.858 8.563 1.00 2.03 C ATOM 618 C THR A 80 0.708 4.300 7.110 1.00 53.52 C ATOM 619 O THR A 80 1.078 5.420 6.757 1.00 60.23 O ATOM 620 CB THR A 80 1.958 2.812 8.674 1.00 34.43 C ATOM 621 OG1 THR A 80 1.836 2.090 9.905 1.00 4.10 O ATOM 622 CG2 THR A 80 3.324 3.477 8.603 1.00 15.12 C ATOM 0 H THR A 80 -0.364 2.415 9.501 1.00 64.30 H new ATOM 0 HA THR A 80 1.083 4.719 9.182 1.00 2.03 H new ATOM 0 HB THR A 80 1.865 2.120 7.837 1.00 34.43 H new ATOM 0 HG1 THR A 80 2.643 1.554 10.051 1.00 4.10 H new ATOM 0 HG21 THR A 80 4.103 2.718 8.684 1.00 15.12 H new ATOM 0 HG22 THR A 80 3.425 4.001 7.652 1.00 15.12 H new ATOM 0 HG23 THR A 80 3.425 4.189 9.422 1.00 15.12 H new ATOM 630 N VAL A 81 0.182 3.414 6.269 1.00 55.51 N ATOM 631 CA VAL A 81 0.006 3.714 4.854 1.00 53.45 C ATOM 632 C VAL A 81 -0.735 5.033 4.659 1.00 61.43 C ATOM 633 O VAL A 81 -0.228 5.954 4.018 1.00 30.05 O ATOM 634 CB VAL A 81 -0.767 2.593 4.134 1.00 22.20 C ATOM 635 CG1 VAL A 81 -0.827 2.861 2.638 1.00 74.02 C ATOM 636 CG2 VAL A 81 -0.129 1.241 4.417 1.00 51.35 C ATOM 0 H VAL A 81 -0.129 2.483 6.544 1.00 55.51 H new ATOM 0 HA VAL A 81 1.003 3.793 4.422 1.00 53.45 H new ATOM 0 HB VAL A 81 -1.788 2.575 4.516 1.00 22.20 H new ATOM 0 HG11 VAL A 81 -1.377 2.058 2.146 1.00 74.02 H new ATOM 0 HG12 VAL A 81 -1.332 3.810 2.458 1.00 74.02 H new ATOM 0 HG13 VAL A 81 0.185 2.907 2.236 1.00 74.02 H new ATOM 0 HG21 VAL A 81 -0.687 0.460 3.901 1.00 51.35 H new ATOM 0 HG22 VAL A 81 0.902 1.244 4.063 1.00 51.35 H new ATOM 0 HG23 VAL A 81 -0.144 1.049 5.490 1.00 51.35 H new ATOM 646 N LEU A 82 -1.938 5.116 5.216 1.00 12.42 N ATOM 647 CA LEU A 82 -2.751 6.323 5.105 1.00 23.21 C ATOM 648 C LEU A 82 -1.957 7.554 5.530 1.00 32.33 C ATOM 649 O LEU A 82 -1.927 8.561 4.823 1.00 35.31 O ATOM 650 CB LEU A 82 -4.011 6.193 5.962 1.00 72.13 C ATOM 651 CG LEU A 82 -4.936 5.022 5.623 1.00 4.35 C ATOM 652 CD1 LEU A 82 -5.691 4.564 6.861 1.00 51.42 C ATOM 653 CD2 LEU A 82 -5.906 5.412 4.517 1.00 5.34 C ATOM 0 H LEU A 82 -2.372 4.363 5.749 1.00 12.42 H new ATOM 0 HA LEU A 82 -3.040 6.443 4.061 1.00 23.21 H new ATOM 0 HB2 LEU A 82 -3.709 6.101 7.005 1.00 72.13 H new ATOM 0 HB3 LEU A 82 -4.582 7.118 5.876 1.00 72.13 H new ATOM 0 HG LEU A 82 -4.326 4.192 5.267 1.00 4.35 H new ATOM 0 HD11 LEU A 82 -6.344 3.731 6.601 1.00 51.42 H new ATOM 0 HD12 LEU A 82 -4.980 4.244 7.623 1.00 51.42 H new ATOM 0 HD13 LEU A 82 -6.291 5.388 7.247 1.00 51.42 H new ATOM 0 HD21 LEU A 82 -6.556 4.567 4.289 1.00 5.34 H new ATOM 0 HD22 LEU A 82 -6.511 6.257 4.845 1.00 5.34 H new ATOM 0 HD23 LEU A 82 -5.347 5.691 3.624 1.00 5.34 H new ATOM 665 N GLY A 83 -1.314 7.466 6.690 1.00 0.24 N ATOM 666 CA GLY A 83 -0.528 8.579 7.189 1.00 63.23 C ATOM 667 C GLY A 83 0.489 9.070 6.177 1.00 50.03 C ATOM 668 O GLY A 83 0.591 10.270 5.925 1.00 63.34 O ATOM 0 H GLY A 83 -1.323 6.644 7.293 1.00 0.24 H new ATOM 0 HA2 GLY A 83 -1.194 9.399 7.457 1.00 63.23 H new ATOM 0 HA3 GLY A 83 -0.012 8.276 8.100 1.00 63.23 H new ATOM 672 N GLU A 84 1.242 8.140 5.598 1.00 51.52 N ATOM 673 CA GLU A 84 2.257 8.487 4.609 1.00 54.43 C ATOM 674 C GLU A 84 1.665 9.359 3.505 1.00 64.15 C ATOM 675 O GLU A 84 2.291 10.318 3.052 1.00 1.55 O ATOM 676 CB GLU A 84 2.864 7.220 4.003 1.00 12.31 C ATOM 677 CG GLU A 84 3.608 6.360 5.011 1.00 3.12 C ATOM 678 CD GLU A 84 5.020 6.852 5.268 1.00 61.35 C ATOM 679 OE1 GLU A 84 5.288 7.322 6.393 1.00 24.01 O ATOM 680 OE2 GLU A 84 5.855 6.766 4.343 1.00 45.41 O ATOM 0 H GLU A 84 1.169 7.142 5.796 1.00 51.52 H new ATOM 0 HA GLU A 84 3.041 9.052 5.113 1.00 54.43 H new ATOM 0 HB2 GLU A 84 2.070 6.628 3.549 1.00 12.31 H new ATOM 0 HB3 GLU A 84 3.549 7.502 3.203 1.00 12.31 H new ATOM 0 HG2 GLU A 84 3.055 6.347 5.950 1.00 3.12 H new ATOM 0 HG3 GLU A 84 3.645 5.333 4.649 1.00 3.12 H new ATOM 688 N LEU A 85 0.456 9.018 3.075 1.00 52.12 N ATOM 689 CA LEU A 85 -0.222 9.768 2.022 1.00 32.15 C ATOM 690 C LEU A 85 -0.770 11.087 2.560 1.00 20.51 C ATOM 691 O LEU A 85 -0.871 12.072 1.831 1.00 3.21 O ATOM 692 CB LEU A 85 -1.358 8.936 1.426 1.00 70.51 C ATOM 693 CG LEU A 85 -1.001 7.505 1.023 1.00 63.45 C ATOM 694 CD1 LEU A 85 -2.261 6.672 0.836 1.00 2.22 C ATOM 695 CD2 LEU A 85 -0.165 7.501 -0.249 1.00 3.52 C ATOM 0 H LEU A 85 -0.076 8.227 3.439 1.00 52.12 H new ATOM 0 HA LEU A 85 0.506 9.989 1.241 1.00 32.15 H new ATOM 0 HB2 LEU A 85 -2.171 8.896 2.151 1.00 70.51 H new ATOM 0 HB3 LEU A 85 -1.740 9.455 0.547 1.00 70.51 H new ATOM 0 HG LEU A 85 -0.411 7.060 1.824 1.00 63.45 H new ATOM 0 HD11 LEU A 85 -1.987 5.657 0.549 1.00 2.22 H new ATOM 0 HD12 LEU A 85 -2.822 6.646 1.770 1.00 2.22 H new ATOM 0 HD13 LEU A 85 -2.878 7.116 0.054 1.00 2.22 H new ATOM 0 HD21 LEU A 85 0.080 6.474 -0.520 1.00 3.52 H new ATOM 0 HD22 LEU A 85 -0.730 7.965 -1.057 1.00 3.52 H new ATOM 0 HD23 LEU A 85 0.755 8.061 -0.081 1.00 3.52 H new ATOM 707 N VAL A 86 -1.121 11.096 3.842 1.00 13.21 N ATOM 708 CA VAL A 86 -1.656 12.294 4.480 1.00 71.45 C ATOM 709 C VAL A 86 -0.595 13.382 4.580 1.00 14.23 C ATOM 710 O VAL A 86 -0.890 14.568 4.427 1.00 42.31 O ATOM 711 CB VAL A 86 -2.196 11.986 5.888 1.00 33.24 C ATOM 712 CG1 VAL A 86 -2.719 13.253 6.549 1.00 74.45 C ATOM 713 CG2 VAL A 86 -3.282 10.922 5.822 1.00 12.12 C ATOM 0 H VAL A 86 -1.045 10.288 4.459 1.00 13.21 H new ATOM 0 HA VAL A 86 -2.476 12.647 3.855 1.00 71.45 H new ATOM 0 HB VAL A 86 -1.377 11.599 6.495 1.00 33.24 H new ATOM 0 HG11 VAL A 86 -3.097 13.015 7.543 1.00 74.45 H new ATOM 0 HG12 VAL A 86 -1.911 13.980 6.632 1.00 74.45 H new ATOM 0 HG13 VAL A 86 -3.524 13.672 5.946 1.00 74.45 H new ATOM 0 HG21 VAL A 86 -3.652 10.717 6.827 1.00 12.12 H new ATOM 0 HG22 VAL A 86 -4.102 11.278 5.199 1.00 12.12 H new ATOM 0 HG23 VAL A 86 -2.870 10.008 5.393 1.00 12.12 H new ATOM 723 N LYS A 87 0.643 12.973 4.840 1.00 54.14 N ATOM 724 CA LYS A 87 1.750 13.914 4.960 1.00 31.32 C ATOM 725 C LYS A 87 2.379 14.190 3.599 1.00 63.14 C ATOM 726 O LYS A 87 2.653 15.339 3.251 1.00 3.21 O ATOM 727 CB LYS A 87 2.808 13.366 5.921 1.00 32.11 C ATOM 728 CG LYS A 87 2.535 13.698 7.379 1.00 63.53 C ATOM 729 CD LYS A 87 3.824 13.805 8.177 1.00 75.52 C ATOM 730 CE LYS A 87 3.549 14.119 9.639 1.00 13.11 C ATOM 731 NZ LYS A 87 4.806 14.221 10.431 1.00 53.15 N ATOM 0 H LYS A 87 0.904 11.996 4.972 1.00 54.14 H new ATOM 0 HA LYS A 87 1.358 14.851 5.356 1.00 31.32 H new ATOM 0 HB2 LYS A 87 2.864 12.283 5.808 1.00 32.11 H new ATOM 0 HB3 LYS A 87 3.783 13.766 5.642 1.00 32.11 H new ATOM 0 HG2 LYS A 87 1.987 14.638 7.443 1.00 63.53 H new ATOM 0 HG3 LYS A 87 1.899 12.928 7.815 1.00 63.53 H new ATOM 0 HD2 LYS A 87 4.378 12.869 8.103 1.00 75.52 H new ATOM 0 HD3 LYS A 87 4.455 14.584 7.749 1.00 75.52 H new ATOM 0 HE2 LYS A 87 2.997 15.056 9.711 1.00 13.11 H new ATOM 0 HE3 LYS A 87 2.914 13.342 10.064 1.00 13.11 H new ATOM 0 HZ1 LYS A 87 4.575 14.436 11.422 1.00 53.15 H new ATOM 0 HZ2 LYS A 87 5.321 13.319 10.383 1.00 53.15 H new ATOM 0 HZ3 LYS A 87 5.401 14.980 10.042 1.00 53.15 H new ATOM 745 N HIS A 88 2.606 13.129 2.829 1.00 34.45 N ATOM 746 CA HIS A 88 3.201 13.258 1.505 1.00 42.03 C ATOM 747 C HIS A 88 2.287 14.050 0.573 1.00 4.31 C ATOM 748 O HIS A 88 2.749 14.890 -0.198 1.00 63.35 O ATOM 749 CB HIS A 88 3.480 11.877 0.911 1.00 74.12 C ATOM 750 CG HIS A 88 4.391 11.908 -0.277 1.00 4.23 C ATOM 751 ND1 HIS A 88 3.954 11.697 -1.568 1.00 3.12 N ATOM 752 CD2 HIS A 88 5.724 12.130 -0.364 1.00 2.00 C ATOM 753 CE1 HIS A 88 4.979 11.785 -2.397 1.00 40.43 C ATOM 754 NE2 HIS A 88 6.065 12.049 -1.692 1.00 33.24 N ATOM 0 H HIS A 88 2.386 12.171 3.101 1.00 34.45 H new ATOM 0 HA HIS A 88 4.142 13.798 1.608 1.00 42.03 H new ATOM 0 HB2 HIS A 88 3.921 11.242 1.680 1.00 74.12 H new ATOM 0 HB3 HIS A 88 2.535 11.418 0.622 1.00 74.12 H new ATOM 0 HD2 HIS A 88 6.394 12.333 0.458 1.00 2.00 H new ATOM 0 HE1 HIS A 88 4.936 11.662 -3.469 1.00 40.43 H new ATOM 0 HE2 HIS A 88 7.003 12.172 -2.072 1.00 33.24 H new ATOM 763 N GLY A 89 0.989 13.776 0.652 1.00 41.31 N ATOM 764 CA GLY A 89 0.033 14.470 -0.189 1.00 55.44 C ATOM 765 C GLY A 89 -0.270 15.869 0.310 1.00 14.31 C ATOM 766 O GLY A 89 -1.432 16.231 0.498 1.00 55.32 O ATOM 0 H GLY A 89 0.583 13.086 1.284 1.00 41.31 H new ATOM 0 HA2 GLY A 89 0.422 14.527 -1.206 1.00 55.44 H new ATOM 0 HA3 GLY A 89 -0.892 13.895 -0.233 1.00 55.44 H new TER 770 GLY A 89