USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 MET CE :methyl -171:sc= -1.86 (180deg=-2.42!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 162:sc= 0.714 (180deg=0.262) USER MOD Set 2.1: A 97 GLN : amide:sc= -1.98 K(o=-6,f=-4.9) USER MOD Set 2.2: A 109 ASN : amide:sc= -4.01! C(o=-6!,f=-12!) USER MOD Set 3.1: A 69 CYS SG : rot 10:sc= -8.06! USER MOD Set 3.2: A 74 GLN : amide:sc= -2.26 K(o=-10,f=-8.7) USER MOD Single : A 34 MET CE :methyl -168:sc= -0.0124 (180deg=-0.226) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0931 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 40 GLN : amide:sc= -3.64! K(o=-3.6!,f=-1.9) USER MOD Single : A 45 ASN : amide:sc= -5.54! K(o=-5.5!,f=-0.66) USER MOD Single : A 50 ASN : amide:sc= -1.2 K(o=-1.2,f=-8.3!) USER MOD Single : A 52 LYS NZ :NH3+ -127:sc= 0.0204 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 61 CYS SG : rot 36:sc= -2.74! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -9.33! C(o=-9.3!,f=-7.2!) USER MOD Single : A 71 GLN : amide:sc= -0.59! X(o=-0.59!,f=-0.22) USER MOD Single : A 80 SER OG : rot -64:sc= 0.826 USER MOD Single : A 84 GLN : amide:sc= -7.87! C(o=-7.9!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 110:sc= 0.126 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.00366 X(o=0.0037,f=-0.078) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 39:sc= 0.624 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 102 GLN : amide:sc= -2! K(o=-2!,f=-0.16) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 119 THR OG1 : rot -18:sc= 0.0957 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 1.489 12.903 -5.547 1.00 0.00 N ATOM 2 CA MET A 34 1.961 11.685 -6.242 1.00 0.00 C ATOM 3 C MET A 34 1.334 10.452 -5.610 1.00 0.00 C ATOM 4 O MET A 34 0.701 10.545 -4.557 1.00 0.00 O ATOM 5 CB MET A 34 3.490 11.584 -6.184 1.00 0.00 C ATOM 6 CG MET A 34 4.206 12.752 -6.839 1.00 0.00 C ATOM 7 SD MET A 34 3.721 12.992 -8.562 1.00 0.00 S ATOM 8 CE MET A 34 4.349 11.494 -9.317 1.00 0.00 C ATOM 0 HA MET A 34 1.660 11.746 -7.288 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.801 11.517 -5.142 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.803 10.660 -6.670 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.996 13.662 -6.277 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.282 12.587 -6.789 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.317 11.592 -10.402 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.378 11.330 -8.998 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.735 10.647 -9.011 1.00 0.00 H new ATOM 20 N ALA A 35 1.522 9.303 -6.245 1.00 0.00 N ATOM 21 CA ALA A 35 0.948 8.051 -5.771 1.00 0.00 C ATOM 22 C ALA A 35 1.990 6.945 -5.826 1.00 0.00 C ATOM 23 O ALA A 35 1.989 6.109 -6.732 1.00 0.00 O ATOM 24 CB ALA A 35 -0.269 7.684 -6.603 1.00 0.00 C ATOM 0 H ALA A 35 2.073 9.212 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 35 0.631 8.176 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.689 6.746 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.017 8.473 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.025 7.569 -7.646 1.00 0.00 H new ATOM 30 N GLU A 36 2.887 6.960 -4.856 1.00 0.00 N ATOM 31 CA GLU A 36 3.997 6.022 -4.813 1.00 0.00 C ATOM 32 C GLU A 36 3.513 4.631 -4.424 1.00 0.00 C ATOM 33 O GLU A 36 3.189 4.380 -3.266 1.00 0.00 O ATOM 34 CB GLU A 36 5.042 6.515 -3.815 1.00 0.00 C ATOM 35 CG GLU A 36 5.643 7.866 -4.177 1.00 0.00 C ATOM 36 CD GLU A 36 6.414 7.840 -5.481 1.00 0.00 C ATOM 37 OE1 GLU A 36 5.779 7.793 -6.555 1.00 0.00 O ATOM 38 OE2 GLU A 36 7.660 7.869 -5.441 1.00 0.00 O ATOM 0 H GLU A 36 2.868 7.620 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 36 4.445 5.960 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.585 6.583 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.842 5.778 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.845 8.605 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.307 8.189 -3.375 1.00 0.00 H new ATOM 45 N CYS A 37 3.456 3.737 -5.399 1.00 0.00 N ATOM 46 CA CYS A 37 2.974 2.385 -5.165 1.00 0.00 C ATOM 47 C CYS A 37 4.130 1.425 -4.907 1.00 0.00 C ATOM 48 O CYS A 37 5.161 1.482 -5.576 1.00 0.00 O ATOM 49 CB CYS A 37 2.144 1.909 -6.360 1.00 0.00 C ATOM 50 SG CYS A 37 2.939 2.169 -7.962 1.00 0.00 S ATOM 0 H CYS A 37 3.738 3.924 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 37 2.344 2.398 -4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.931 0.847 -6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.186 2.429 -6.353 1.00 0.00 H new ATOM 0 HG CYS A 37 2.161 1.733 -8.908 1.00 0.00 H new ATOM 56 N VAL A 38 3.952 0.552 -3.932 1.00 0.00 N ATOM 57 CA VAL A 38 4.958 -0.443 -3.601 1.00 0.00 C ATOM 58 C VAL A 38 4.326 -1.835 -3.578 1.00 0.00 C ATOM 59 O VAL A 38 3.169 -1.993 -3.180 1.00 0.00 O ATOM 60 CB VAL A 38 5.620 -0.137 -2.235 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.576 -0.067 -1.133 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.695 -1.164 -1.906 1.00 0.00 C ATOM 0 H VAL A 38 3.114 0.512 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 38 5.733 -0.411 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 38 6.102 0.838 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.064 0.149 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.859 0.722 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.055 -1.022 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.143 -0.925 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.248 -2.157 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.464 -1.146 -2.678 1.00 0.00 H new ATOM 72 N SER A 39 5.071 -2.837 -4.019 1.00 0.00 N ATOM 73 CA SER A 39 4.580 -4.202 -4.032 1.00 0.00 C ATOM 74 C SER A 39 4.973 -4.930 -2.747 1.00 0.00 C ATOM 75 O SER A 39 6.139 -5.268 -2.537 1.00 0.00 O ATOM 76 CB SER A 39 5.124 -4.929 -5.265 1.00 0.00 C ATOM 77 OG SER A 39 6.461 -4.532 -5.538 1.00 0.00 O ATOM 0 H SER A 39 6.021 -2.727 -4.373 1.00 0.00 H new ATOM 0 HA SER A 39 3.491 -4.190 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.086 -6.006 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.493 -4.714 -6.127 1.00 0.00 H new ATOM 0 HG SER A 39 6.789 -5.010 -6.328 1.00 0.00 H new ATOM 83 N GLN A 40 3.994 -5.155 -1.882 1.00 0.00 N ATOM 84 CA GLN A 40 4.234 -5.821 -0.612 1.00 0.00 C ATOM 85 C GLN A 40 3.166 -6.869 -0.367 1.00 0.00 C ATOM 86 O GLN A 40 2.033 -6.716 -0.806 1.00 0.00 O ATOM 87 CB GLN A 40 4.225 -4.807 0.528 1.00 0.00 C ATOM 88 CG GLN A 40 4.482 -5.417 1.893 1.00 0.00 C ATOM 89 CD GLN A 40 5.889 -5.955 2.046 1.00 0.00 C ATOM 90 OE1 GLN A 40 6.844 -5.428 1.475 1.00 0.00 O ATOM 91 NE2 GLN A 40 6.011 -7.033 2.790 1.00 0.00 N ATOM 0 H GLN A 40 3.023 -4.885 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 40 5.211 -6.303 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.982 -4.047 0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.260 -4.300 0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.301 -4.665 2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.770 -6.224 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.191 -7.435 3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.926 -7.467 2.913 1.00 0.00 H new ATOM 100 N ALA A 41 3.534 -7.945 0.298 1.00 0.00 N ATOM 101 CA ALA A 41 2.583 -8.975 0.665 1.00 0.00 C ATOM 102 C ALA A 41 2.490 -9.106 2.181 1.00 0.00 C ATOM 103 O ALA A 41 3.483 -8.907 2.886 1.00 0.00 O ATOM 104 CB ALA A 41 3.008 -10.281 0.031 1.00 0.00 C ATOM 0 H ALA A 41 4.491 -8.130 0.597 1.00 0.00 H new ATOM 0 HA ALA A 41 1.592 -8.705 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.299 -11.064 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.030 -10.169 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.001 -10.552 0.388 1.00 0.00 H new ATOM 110 N ILE A 42 1.302 -9.455 2.682 1.00 0.00 N ATOM 111 CA ILE A 42 1.069 -9.537 4.129 1.00 0.00 C ATOM 112 C ILE A 42 -0.039 -10.542 4.431 1.00 0.00 C ATOM 113 O ILE A 42 -0.720 -11.029 3.525 1.00 0.00 O ATOM 114 CB ILE A 42 0.669 -8.182 4.791 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.855 -7.997 4.782 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.346 -7.002 4.110 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.325 -6.764 5.520 1.00 0.00 C ATOM 0 H ILE A 42 0.489 -9.685 2.111 1.00 0.00 H new ATOM 0 HA ILE A 42 2.025 -9.846 4.551 1.00 0.00 H new ATOM 0 HB ILE A 42 1.012 -8.215 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.199 -7.944 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.321 -8.876 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.043 -6.076 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.428 -7.112 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.053 -6.971 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.412 -6.702 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.013 -6.823 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.889 -5.877 5.061 1.00 0.00 H new ATOM 129 N ASP A 43 -0.210 -10.828 5.715 1.00 0.00 N ATOM 130 CA ASP A 43 -1.293 -11.673 6.203 1.00 0.00 C ATOM 131 C ASP A 43 -2.634 -10.973 6.072 1.00 0.00 C ATOM 132 O ASP A 43 -2.765 -9.818 6.464 1.00 0.00 O ATOM 133 CB ASP A 43 -1.053 -11.990 7.675 1.00 0.00 C ATOM 134 CG ASP A 43 -0.147 -13.186 7.872 1.00 0.00 C ATOM 135 OD1 ASP A 43 1.088 -12.998 7.926 1.00 0.00 O ATOM 136 OD2 ASP A 43 -0.663 -14.321 7.969 1.00 0.00 O ATOM 0 H ASP A 43 0.402 -10.478 6.452 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.312 -12.585 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.612 -11.121 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.009 -12.179 8.163 1.00 0.00 H new ATOM 141 N ILE A 44 -3.648 -11.661 5.553 1.00 0.00 N ATOM 142 CA ILE A 44 -4.969 -11.054 5.458 1.00 0.00 C ATOM 143 C ILE A 44 -5.769 -11.400 6.693 1.00 0.00 C ATOM 144 O ILE A 44 -6.734 -10.723 7.032 1.00 0.00 O ATOM 145 CB ILE A 44 -5.781 -11.532 4.232 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.627 -12.760 4.563 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.852 -11.843 3.077 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.749 -12.981 3.585 1.00 0.00 C ATOM 0 H ILE A 44 -3.583 -12.616 5.200 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.803 -9.981 5.358 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.455 -10.724 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.987 -13.642 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.042 -12.649 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.436 -12.178 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.294 -10.946 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.156 -12.628 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.314 -13.868 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.409 -12.114 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.338 -13.122 2.585 1.00 0.00 H new ATOM 160 N ASN A 45 -5.381 -12.491 7.340 1.00 0.00 N ATOM 161 CA ASN A 45 -6.063 -12.949 8.539 1.00 0.00 C ATOM 162 C ASN A 45 -5.594 -12.095 9.707 1.00 0.00 C ATOM 163 O ASN A 45 -6.158 -12.133 10.800 1.00 0.00 O ATOM 164 CB ASN A 45 -5.726 -14.418 8.855 1.00 0.00 C ATOM 165 CG ASN A 45 -6.156 -15.436 7.806 1.00 0.00 C ATOM 166 OD1 ASN A 45 -6.459 -16.579 8.140 1.00 0.00 O ATOM 167 ND2 ASN A 45 -6.173 -15.050 6.541 1.00 0.00 N ATOM 0 H ASN A 45 -4.596 -13.075 7.052 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.138 -12.866 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.648 -14.502 8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.193 -14.682 9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.443 -15.709 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.916 -14.094 6.296 1.00 0.00 H new ATOM 174 N GLU A 46 -4.540 -11.328 9.451 1.00 0.00 N ATOM 175 CA GLU A 46 -3.856 -10.574 10.474 1.00 0.00 C ATOM 176 C GLU A 46 -3.796 -9.089 10.086 1.00 0.00 C ATOM 177 O GLU A 46 -4.217 -8.730 8.985 1.00 0.00 O ATOM 178 CB GLU A 46 -2.461 -11.175 10.687 1.00 0.00 C ATOM 179 CG GLU A 46 -2.498 -12.620 11.158 1.00 0.00 C ATOM 180 CD GLU A 46 -1.133 -13.149 11.534 1.00 0.00 C ATOM 181 OE1 GLU A 46 -0.129 -12.457 11.285 1.00 0.00 O ATOM 182 OE2 GLU A 46 -1.058 -14.269 12.086 1.00 0.00 O ATOM 0 H GLU A 46 -4.140 -11.217 8.519 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.400 -10.634 11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.901 -11.118 9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.921 -10.574 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.163 -12.700 12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.920 -13.244 10.370 1.00 0.00 H new ATOM 189 N PRO A 47 -3.281 -8.220 10.972 1.00 0.00 N ATOM 190 CA PRO A 47 -3.353 -6.751 10.825 1.00 0.00 C ATOM 191 C PRO A 47 -2.948 -6.239 9.446 1.00 0.00 C ATOM 192 O PRO A 47 -1.890 -6.584 8.934 1.00 0.00 O ATOM 193 CB PRO A 47 -2.352 -6.243 11.870 1.00 0.00 C ATOM 194 CG PRO A 47 -1.575 -7.445 12.284 1.00 0.00 C ATOM 195 CD PRO A 47 -2.534 -8.580 12.179 1.00 0.00 C ATOM 0 HA PRO A 47 -4.378 -6.404 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.699 -5.478 11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.865 -5.793 12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.711 -7.598 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.198 -7.340 13.301 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.025 -9.539 12.076 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.180 -8.654 13.054 1.00 0.00 H new ATOM 203 N ILE A 48 -3.790 -5.399 8.854 1.00 0.00 N ATOM 204 CA ILE A 48 -3.458 -4.773 7.578 1.00 0.00 C ATOM 205 C ILE A 48 -2.510 -3.606 7.809 1.00 0.00 C ATOM 206 O ILE A 48 -1.818 -3.156 6.901 1.00 0.00 O ATOM 207 CB ILE A 48 -4.721 -4.278 6.821 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.155 -2.883 7.268 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.861 -5.244 7.017 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.647 -1.791 6.366 1.00 0.00 C ATOM 0 H ILE A 48 -4.700 -5.137 9.233 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.977 -5.529 6.958 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.457 -4.224 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.244 -2.841 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.797 -2.705 8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.739 -4.884 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.578 -6.224 6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.092 -5.324 8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.989 -0.825 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.557 -1.809 6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.026 -1.947 5.356 1.00 0.00 H new ATOM 222 N GLY A 49 -2.478 -3.130 9.044 1.00 0.00 N ATOM 223 CA GLY A 49 -1.675 -1.975 9.369 1.00 0.00 C ATOM 224 C GLY A 49 -0.213 -2.310 9.504 1.00 0.00 C ATOM 225 O GLY A 49 0.608 -1.427 9.764 1.00 0.00 O ATOM 0 H GLY A 49 -2.996 -3.526 9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.801 -1.219 8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.032 -1.539 10.302 1.00 0.00 H new ATOM 229 N ASN A 50 0.138 -3.575 9.299 1.00 0.00 N ATOM 230 CA ASN A 50 1.520 -3.993 9.425 1.00 0.00 C ATOM 231 C ASN A 50 2.337 -3.494 8.235 1.00 0.00 C ATOM 232 O ASN A 50 3.556 -3.647 8.196 1.00 0.00 O ATOM 233 CB ASN A 50 1.635 -5.527 9.571 1.00 0.00 C ATOM 234 CG ASN A 50 1.163 -6.318 8.358 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.255 -5.864 7.223 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.667 -7.527 8.594 1.00 0.00 N ATOM 0 H ASN A 50 -0.513 -4.319 9.047 1.00 0.00 H new ATOM 0 HA ASN A 50 1.925 -3.548 10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.675 -5.782 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.056 -5.840 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.349 -8.108 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.604 -7.875 9.551 1.00 0.00 H new ATOM 243 N LEU A 51 1.654 -2.874 7.272 1.00 0.00 N ATOM 244 CA LEU A 51 2.306 -2.284 6.105 1.00 0.00 C ATOM 245 C LEU A 51 3.340 -1.242 6.525 1.00 0.00 C ATOM 246 O LEU A 51 4.319 -1.007 5.828 1.00 0.00 O ATOM 247 CB LEU A 51 1.270 -1.637 5.176 1.00 0.00 C ATOM 248 CG LEU A 51 0.682 -2.548 4.090 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.206 -3.858 4.677 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.467 -1.852 3.384 1.00 0.00 C ATOM 0 H LEU A 51 0.640 -2.768 7.279 1.00 0.00 H new ATOM 0 HA LEU A 51 2.814 -3.085 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.451 -1.256 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.732 -0.777 4.691 1.00 0.00 H new ATOM 0 HG LEU A 51 1.470 -2.761 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.206 -4.483 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.044 -4.372 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.564 -3.664 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.874 -2.510 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.246 -1.612 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.107 -0.934 2.921 1.00 0.00 H new ATOM 262 N LYS A 52 3.141 -0.654 7.693 1.00 0.00 N ATOM 263 CA LYS A 52 4.054 0.360 8.188 1.00 0.00 C ATOM 264 C LYS A 52 5.341 -0.298 8.689 1.00 0.00 C ATOM 265 O LYS A 52 6.375 0.350 8.829 1.00 0.00 O ATOM 266 CB LYS A 52 3.401 1.183 9.304 1.00 0.00 C ATOM 267 CG LYS A 52 2.268 2.083 8.821 1.00 0.00 C ATOM 268 CD LYS A 52 1.834 3.066 9.900 1.00 0.00 C ATOM 269 CE LYS A 52 1.356 2.347 11.149 1.00 0.00 C ATOM 270 NZ LYS A 52 0.928 3.296 12.210 1.00 0.00 N ATOM 0 H LYS A 52 2.358 -0.861 8.313 1.00 0.00 H new ATOM 0 HA LYS A 52 4.299 1.037 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.015 0.505 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.163 1.798 9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.591 2.632 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.417 1.470 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.667 3.721 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.035 3.700 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.524 1.690 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.156 1.713 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.426 3.074 13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.156 4.268 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.098 3.211 12.359 1.00 0.00 H new ATOM 284 N LYS A 53 5.257 -1.595 8.966 1.00 0.00 N ATOM 285 CA LYS A 53 6.410 -2.373 9.403 1.00 0.00 C ATOM 286 C LYS A 53 7.139 -2.960 8.195 1.00 0.00 C ATOM 287 O LYS A 53 8.366 -2.895 8.099 1.00 0.00 O ATOM 288 CB LYS A 53 5.969 -3.519 10.326 1.00 0.00 C ATOM 289 CG LYS A 53 4.979 -3.135 11.425 1.00 0.00 C ATOM 290 CD LYS A 53 5.630 -2.384 12.579 1.00 0.00 C ATOM 291 CE LYS A 53 5.745 -0.892 12.305 1.00 0.00 C ATOM 292 NZ LYS A 53 6.224 -0.150 13.497 1.00 0.00 N ATOM 0 H LYS A 53 4.394 -2.133 8.894 1.00 0.00 H new ATOM 0 HA LYS A 53 7.080 -1.708 9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.521 -4.302 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.856 -3.947 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.190 -2.517 10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.503 -4.037 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.047 -2.541 13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.623 -2.795 12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.430 -0.727 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.774 -0.502 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.290 0.863 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.557 -0.288 14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.162 -0.505 13.773 1.00 0.00 H new ATOM 306 N LEU A 54 6.362 -3.520 7.267 1.00 0.00 N ATOM 307 CA LEU A 54 6.908 -4.288 6.153 1.00 0.00 C ATOM 308 C LEU A 54 7.363 -3.392 4.998 1.00 0.00 C ATOM 309 O LEU A 54 8.252 -3.764 4.238 1.00 0.00 O ATOM 310 CB LEU A 54 5.873 -5.310 5.649 1.00 0.00 C ATOM 311 CG LEU A 54 5.691 -6.573 6.511 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.113 -6.245 7.874 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.796 -7.577 5.807 1.00 0.00 C ATOM 0 H LEU A 54 5.344 -3.454 7.268 1.00 0.00 H new ATOM 0 HA LEU A 54 7.787 -4.813 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.908 -4.809 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.158 -5.619 4.643 1.00 0.00 H new ATOM 0 HG LEU A 54 6.680 -7.008 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.000 -7.162 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.784 -5.566 8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.139 -5.771 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.680 -8.462 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.819 -7.129 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.246 -7.861 4.856 1.00 0.00 H new ATOM 325 N LEU A 55 6.760 -2.216 4.862 1.00 0.00 N ATOM 326 CA LEU A 55 7.134 -1.306 3.780 1.00 0.00 C ATOM 327 C LEU A 55 8.246 -0.361 4.201 1.00 0.00 C ATOM 328 O LEU A 55 8.750 0.414 3.387 1.00 0.00 O ATOM 329 CB LEU A 55 5.931 -0.511 3.273 1.00 0.00 C ATOM 330 CG LEU A 55 5.054 -1.262 2.271 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.929 -2.031 1.297 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.089 -2.199 2.974 1.00 0.00 C ATOM 0 H LEU A 55 6.021 -1.872 5.476 1.00 0.00 H new ATOM 0 HA LEU A 55 7.504 -1.926 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.318 -0.219 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.288 0.408 2.808 1.00 0.00 H new ATOM 0 HG LEU A 55 4.461 -0.532 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.299 -2.564 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.574 -1.336 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.543 -2.746 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.480 -2.717 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.650 -2.929 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.442 -1.625 3.637 1.00 0.00 H new ATOM 344 N GLU A 56 8.622 -0.424 5.471 1.00 0.00 N ATOM 345 CA GLU A 56 9.756 0.350 5.974 1.00 0.00 C ATOM 346 C GLU A 56 11.012 0.133 5.107 1.00 0.00 C ATOM 347 O GLU A 56 11.589 1.100 4.610 1.00 0.00 O ATOM 348 CB GLU A 56 10.044 -0.006 7.434 1.00 0.00 C ATOM 349 CG GLU A 56 11.127 0.849 8.064 1.00 0.00 C ATOM 350 CD GLU A 56 11.508 0.370 9.444 1.00 0.00 C ATOM 351 OE1 GLU A 56 12.385 -0.514 9.544 1.00 0.00 O ATOM 352 OE2 GLU A 56 10.935 0.876 10.435 1.00 0.00 O ATOM 0 H GLU A 56 8.161 -1.002 6.174 1.00 0.00 H new ATOM 0 HA GLU A 56 9.490 1.406 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.127 0.099 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.339 -1.054 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.009 0.843 7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.783 1.882 8.123 1.00 0.00 H new ATOM 359 N PRO A 57 11.446 -1.131 4.893 1.00 0.00 N ATOM 360 CA PRO A 57 12.622 -1.433 4.059 1.00 0.00 C ATOM 361 C PRO A 57 12.397 -1.106 2.585 1.00 0.00 C ATOM 362 O PRO A 57 13.341 -0.864 1.833 1.00 0.00 O ATOM 363 CB PRO A 57 12.797 -2.946 4.220 1.00 0.00 C ATOM 364 CG PRO A 57 11.448 -3.442 4.596 1.00 0.00 C ATOM 365 CD PRO A 57 10.850 -2.365 5.446 1.00 0.00 C ATOM 0 HA PRO A 57 13.486 -0.842 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.144 -3.405 3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.534 -3.180 4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.838 -3.629 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.514 -4.383 5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.762 -2.354 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.100 -2.497 6.499 1.00 0.00 H new ATOM 373 N ARG A 58 11.137 -1.100 2.186 1.00 0.00 N ATOM 374 CA ARG A 58 10.771 -0.950 0.788 1.00 0.00 C ATOM 375 C ARG A 58 10.749 0.509 0.351 1.00 0.00 C ATOM 376 O ARG A 58 11.270 0.862 -0.708 1.00 0.00 O ATOM 377 CB ARG A 58 9.396 -1.571 0.567 1.00 0.00 C ATOM 378 CG ARG A 58 9.420 -3.086 0.395 1.00 0.00 C ATOM 379 CD ARG A 58 10.141 -3.498 -0.878 1.00 0.00 C ATOM 380 NE ARG A 58 10.239 -4.953 -1.010 1.00 0.00 N ATOM 381 CZ ARG A 58 10.057 -5.615 -2.154 1.00 0.00 C ATOM 382 NH1 ARG A 58 9.761 -4.960 -3.270 1.00 0.00 N ATOM 383 NH2 ARG A 58 10.179 -6.935 -2.180 1.00 0.00 N ATOM 0 H ARG A 58 10.342 -1.198 2.818 1.00 0.00 H new ATOM 0 HA ARG A 58 11.525 -1.458 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.756 -1.322 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.944 -1.122 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.911 -3.542 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.398 -3.466 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.613 -3.091 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.142 -3.066 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 58 10.460 -5.495 -0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.671 -3.944 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.623 -5.473 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.412 -7.443 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.040 -7.443 -3.054 1.00 0.00 H new ATOM 397 N LEU A 59 10.157 1.354 1.174 1.00 0.00 N ATOM 398 CA LEU A 59 9.954 2.747 0.810 1.00 0.00 C ATOM 399 C LEU A 59 11.002 3.646 1.447 1.00 0.00 C ATOM 400 O LEU A 59 11.225 4.770 0.997 1.00 0.00 O ATOM 401 CB LEU A 59 8.559 3.198 1.244 1.00 0.00 C ATOM 402 CG LEU A 59 7.392 2.429 0.624 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.081 2.837 1.278 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.334 2.675 -0.876 1.00 0.00 C ATOM 0 H LEU A 59 9.808 1.102 2.099 1.00 0.00 H new ATOM 0 HA LEU A 59 10.049 2.829 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.491 3.114 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.446 4.254 0.999 1.00 0.00 H new ATOM 0 HG LEU A 59 7.548 1.364 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.260 2.281 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.123 2.618 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.919 3.905 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.498 2.121 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.198 3.740 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.264 2.341 -1.336 1.00 0.00 H new ATOM 416 N GLN A 60 11.645 3.126 2.497 1.00 0.00 N ATOM 417 CA GLN A 60 12.555 3.913 3.330 1.00 0.00 C ATOM 418 C GLN A 60 11.830 5.127 3.894 1.00 0.00 C ATOM 419 O GLN A 60 12.420 6.175 4.153 1.00 0.00 O ATOM 420 CB GLN A 60 13.803 4.331 2.555 1.00 0.00 C ATOM 421 CG GLN A 60 14.775 3.186 2.324 1.00 0.00 C ATOM 422 CD GLN A 60 16.029 3.621 1.599 1.00 0.00 C ATOM 423 OE1 GLN A 60 16.006 4.529 0.771 1.00 0.00 O ATOM 424 NE2 GLN A 60 17.140 2.982 1.911 1.00 0.00 N ATOM 0 H GLN A 60 11.549 2.154 2.791 1.00 0.00 H new ATOM 0 HA GLN A 60 12.885 3.287 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.503 4.745 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.312 5.127 3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.049 2.748 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.279 2.405 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.120 2.233 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.019 3.237 1.460 1.00 0.00 H new ATOM 433 N CYS A 61 10.536 4.953 4.080 1.00 0.00 N ATOM 434 CA CYS A 61 9.689 5.994 4.626 1.00 0.00 C ATOM 435 C CYS A 61 9.519 5.782 6.120 1.00 0.00 C ATOM 436 O CYS A 61 9.671 4.663 6.617 1.00 0.00 O ATOM 437 CB CYS A 61 8.323 5.985 3.936 1.00 0.00 C ATOM 438 SG CYS A 61 8.376 6.352 2.166 1.00 0.00 S ATOM 0 H CYS A 61 10.044 4.088 3.857 1.00 0.00 H new ATOM 0 HA CYS A 61 10.159 6.962 4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.865 5.006 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.677 6.714 4.426 1.00 0.00 H new ATOM 0 HG CYS A 61 9.447 5.830 1.646 1.00 0.00 H new ATOM 444 N SER A 62 9.235 6.849 6.841 1.00 0.00 N ATOM 445 CA SER A 62 8.927 6.736 8.249 1.00 0.00 C ATOM 446 C SER A 62 7.445 6.451 8.406 1.00 0.00 C ATOM 447 O SER A 62 6.644 7.367 8.559 1.00 0.00 O ATOM 448 CB SER A 62 9.311 8.028 8.969 1.00 0.00 C ATOM 449 OG SER A 62 10.654 8.383 8.688 1.00 0.00 O ATOM 0 H SER A 62 9.212 7.801 6.474 1.00 0.00 H new ATOM 0 HA SER A 62 9.496 5.919 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.645 8.833 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.181 7.903 10.044 1.00 0.00 H new ATOM 0 HG SER A 62 10.878 9.214 9.158 1.00 0.00 H new ATOM 455 N LEU A 63 7.099 5.171 8.400 1.00 0.00 N ATOM 456 CA LEU A 63 5.699 4.765 8.421 1.00 0.00 C ATOM 457 C LEU A 63 5.159 4.911 9.836 1.00 0.00 C ATOM 458 O LEU A 63 5.462 4.091 10.702 1.00 0.00 O ATOM 459 CB LEU A 63 5.496 3.310 7.969 1.00 0.00 C ATOM 460 CG LEU A 63 5.936 2.908 6.553 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.696 4.003 5.531 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.380 2.466 6.557 1.00 0.00 C ATOM 0 H LEU A 63 7.765 4.398 8.381 1.00 0.00 H new ATOM 0 HA LEU A 63 5.166 5.409 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.025 2.668 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.435 3.080 8.063 1.00 0.00 H new ATOM 0 HG LEU A 63 5.313 2.067 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.026 3.663 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.633 4.240 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.257 4.894 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.677 2.184 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.010 3.284 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.497 1.610 7.221 1.00 0.00 H new ATOM 474 N ASP A 64 4.363 5.941 10.074 1.00 0.00 N ATOM 475 CA ASP A 64 3.843 6.185 11.414 1.00 0.00 C ATOM 476 C ASP A 64 2.588 7.046 11.382 1.00 0.00 C ATOM 477 O ASP A 64 1.499 6.561 11.688 1.00 0.00 O ATOM 478 CB ASP A 64 4.905 6.838 12.299 1.00 0.00 C ATOM 479 CG ASP A 64 4.440 7.025 13.731 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.245 6.014 14.437 1.00 0.00 O ATOM 481 OD2 ASP A 64 4.270 8.181 14.159 1.00 0.00 O ATOM 0 H ASP A 64 4.065 6.615 9.369 1.00 0.00 H new ATOM 0 HA ASP A 64 3.577 5.217 11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.806 6.224 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.176 7.807 11.880 1.00 0.00 H new ATOM 486 N ALA A 65 2.733 8.315 11.011 1.00 0.00 N ATOM 487 CA ALA A 65 1.607 9.245 11.011 1.00 0.00 C ATOM 488 C ALA A 65 0.595 8.924 9.915 1.00 0.00 C ATOM 489 O ALA A 65 -0.588 9.246 10.036 1.00 0.00 O ATOM 490 CB ALA A 65 2.110 10.671 10.855 1.00 0.00 C ATOM 0 H ALA A 65 3.617 8.723 10.707 1.00 0.00 H new ATOM 0 HA ALA A 65 1.096 9.139 11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.263 11.358 10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.776 10.915 11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.652 10.765 9.914 1.00 0.00 H new ATOM 496 N HIS A 66 1.062 8.299 8.845 1.00 0.00 N ATOM 497 CA HIS A 66 0.185 7.945 7.739 1.00 0.00 C ATOM 498 C HIS A 66 -0.579 6.665 8.006 1.00 0.00 C ATOM 499 O HIS A 66 -0.034 5.673 8.493 1.00 0.00 O ATOM 500 CB HIS A 66 0.902 7.893 6.376 1.00 0.00 C ATOM 501 CG HIS A 66 2.352 7.531 6.373 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.236 8.053 7.281 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.026 6.786 5.481 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.422 7.619 6.913 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.347 6.846 5.826 1.00 0.00 N ATOM 0 H HIS A 66 2.037 8.028 8.719 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.537 8.759 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.375 7.177 5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.798 8.870 5.904 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.604 6.242 4.649 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.342 7.858 7.426 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.124 6.390 5.347 1.00 0.00 H new ATOM 513 N GLU A 67 -1.861 6.723 7.683 1.00 0.00 N ATOM 514 CA GLU A 67 -2.788 5.633 7.934 1.00 0.00 C ATOM 515 C GLU A 67 -2.821 4.688 6.743 1.00 0.00 C ATOM 516 O GLU A 67 -2.249 4.981 5.695 1.00 0.00 O ATOM 517 CB GLU A 67 -4.184 6.198 8.199 1.00 0.00 C ATOM 518 CG GLU A 67 -4.745 7.007 7.041 1.00 0.00 C ATOM 519 CD GLU A 67 -6.050 7.688 7.393 1.00 0.00 C ATOM 520 OE1 GLU A 67 -6.006 8.808 7.945 1.00 0.00 O ATOM 521 OE2 GLU A 67 -7.121 7.103 7.135 1.00 0.00 O ATOM 0 H GLU A 67 -2.290 7.534 7.236 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.456 5.075 8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.864 5.375 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.149 6.828 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.016 7.759 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.900 6.351 6.184 1.00 0.00 H new ATOM 528 N ILE A 68 -3.496 3.562 6.901 1.00 0.00 N ATOM 529 CA ILE A 68 -3.558 2.570 5.843 1.00 0.00 C ATOM 530 C ILE A 68 -4.944 2.580 5.211 1.00 0.00 C ATOM 531 O ILE A 68 -5.928 2.952 5.855 1.00 0.00 O ATOM 532 CB ILE A 68 -3.242 1.147 6.348 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.442 1.170 7.660 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.469 0.390 5.278 1.00 0.00 C ATOM 535 CD1 ILE A 68 -1.004 1.620 7.512 1.00 0.00 C ATOM 0 H ILE A 68 -4.007 3.313 7.748 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.799 2.837 5.108 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.187 0.642 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.945 1.831 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.454 0.171 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.245 -0.616 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.069 0.329 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.538 0.914 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.516 1.606 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.480 0.946 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.979 2.632 7.109 1.00 0.00 H new ATOM 547 N CYS A 69 -5.021 2.165 3.959 1.00 0.00 N ATOM 548 CA CYS A 69 -6.238 2.267 3.184 1.00 0.00 C ATOM 549 C CYS A 69 -6.246 1.213 2.096 1.00 0.00 C ATOM 550 O CYS A 69 -5.254 0.518 1.886 1.00 0.00 O ATOM 551 CB CYS A 69 -6.359 3.660 2.563 1.00 0.00 C ATOM 552 SG CYS A 69 -6.639 4.975 3.764 1.00 0.00 S ATOM 0 H CYS A 69 -4.239 1.748 3.454 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.089 2.105 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.448 3.879 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.179 3.657 1.845 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.470 4.508 4.966 1.00 0.00 H new ATOM 558 N LEU A 70 -7.370 1.072 1.427 1.00 0.00 N ATOM 559 CA LEU A 70 -7.488 0.133 0.341 1.00 0.00 C ATOM 560 C LEU A 70 -8.380 0.703 -0.736 1.00 0.00 C ATOM 561 O LEU A 70 -9.565 0.902 -0.510 1.00 0.00 O ATOM 562 CB LEU A 70 -8.060 -1.173 0.858 1.00 0.00 C ATOM 563 CG LEU A 70 -7.708 -2.378 0.018 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.582 -3.593 0.903 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.755 -2.613 -1.059 1.00 0.00 C ATOM 0 H LEU A 70 -8.220 1.602 1.621 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.502 -0.054 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.703 -1.336 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.145 -1.086 0.911 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.754 -2.193 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.328 -4.461 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.798 -3.425 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.529 -3.772 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.479 -3.486 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.725 -2.783 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.812 -1.739 -1.708 1.00 0.00 H new ATOM 577 N GLN A 71 -7.801 0.974 -1.901 1.00 0.00 N ATOM 578 CA GLN A 71 -8.527 1.599 -2.999 1.00 0.00 C ATOM 579 C GLN A 71 -9.217 2.862 -2.500 1.00 0.00 C ATOM 580 O GLN A 71 -10.350 3.168 -2.875 1.00 0.00 O ATOM 581 CB GLN A 71 -9.511 0.602 -3.612 1.00 0.00 C ATOM 582 CG GLN A 71 -8.803 -0.557 -4.298 1.00 0.00 C ATOM 583 CD GLN A 71 -9.646 -1.814 -4.384 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.870 -1.758 -4.478 1.00 0.00 O ATOM 585 NE2 GLN A 71 -8.984 -2.961 -4.347 1.00 0.00 N ATOM 0 H GLN A 71 -6.824 0.768 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.833 1.891 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.166 0.215 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.145 1.117 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.515 -0.252 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.883 -0.782 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.967 -2.961 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.491 -3.844 -4.397 1.00 0.00 H new ATOM 594 N ASP A 72 -8.501 3.538 -1.593 1.00 0.00 N ATOM 595 CA ASP A 72 -8.884 4.838 -1.034 1.00 0.00 C ATOM 596 C ASP A 72 -9.769 4.675 0.204 1.00 0.00 C ATOM 597 O ASP A 72 -9.910 5.608 0.995 1.00 0.00 O ATOM 598 CB ASP A 72 -9.533 5.752 -2.088 1.00 0.00 C ATOM 599 CG ASP A 72 -9.946 7.099 -1.532 1.00 0.00 C ATOM 600 OD1 ASP A 72 -9.083 7.801 -0.971 1.00 0.00 O ATOM 601 OD2 ASP A 72 -11.128 7.473 -1.678 1.00 0.00 O ATOM 0 H ASP A 72 -7.619 3.187 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.967 5.333 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.833 5.904 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.409 5.253 -2.504 1.00 0.00 H new ATOM 606 N ILE A 73 -10.322 3.481 0.406 1.00 0.00 N ATOM 607 CA ILE A 73 -11.066 3.185 1.626 1.00 0.00 C ATOM 608 C ILE A 73 -10.102 3.088 2.794 1.00 0.00 C ATOM 609 O ILE A 73 -9.228 2.233 2.799 1.00 0.00 O ATOM 610 CB ILE A 73 -11.798 1.832 1.557 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.408 1.582 0.181 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.877 1.769 2.628 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.693 0.115 -0.059 1.00 0.00 C ATOM 0 H ILE A 73 -10.269 2.707 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.793 3.988 1.747 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.061 1.049 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.333 2.150 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.729 1.949 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.390 0.809 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.420 1.880 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.595 2.573 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.126 -0.014 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.764 -0.452 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.394 -0.247 0.693 1.00 0.00 H new ATOM 625 N GLN A 74 -10.253 3.948 3.775 1.00 0.00 N ATOM 626 CA GLN A 74 -9.404 3.894 4.954 1.00 0.00 C ATOM 627 C GLN A 74 -9.662 2.608 5.735 1.00 0.00 C ATOM 628 O GLN A 74 -10.805 2.178 5.890 1.00 0.00 O ATOM 629 CB GLN A 74 -9.595 5.135 5.838 1.00 0.00 C ATOM 630 CG GLN A 74 -10.943 5.819 5.670 1.00 0.00 C ATOM 631 CD GLN A 74 -10.926 6.916 4.614 1.00 0.00 C ATOM 632 OE1 GLN A 74 -11.711 7.863 4.683 1.00 0.00 O ATOM 633 NE2 GLN A 74 -10.024 6.821 3.642 1.00 0.00 N ATOM 0 H GLN A 74 -10.951 4.692 3.785 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.364 3.891 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.475 4.846 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.806 5.852 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.691 5.074 5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.249 6.246 6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.388 6.024 3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.968 7.545 2.926 1.00 0.00 H new ATOM 642 N LEU A 75 -8.588 2.004 6.212 1.00 0.00 N ATOM 643 CA LEU A 75 -8.649 0.695 6.855 1.00 0.00 C ATOM 644 C LEU A 75 -8.268 0.814 8.320 1.00 0.00 C ATOM 645 O LEU A 75 -7.911 1.897 8.788 1.00 0.00 O ATOM 646 CB LEU A 75 -7.702 -0.272 6.140 1.00 0.00 C ATOM 647 CG LEU A 75 -8.129 -0.679 4.727 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.979 -1.300 3.960 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.272 -1.662 4.790 1.00 0.00 C ATOM 0 H LEU A 75 -7.650 2.402 6.167 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.667 0.311 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.714 0.186 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.603 -1.173 6.746 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.447 0.224 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.316 -1.578 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.164 -0.581 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.629 -2.189 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.566 -1.943 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.958 -2.551 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.119 -1.203 5.300 1.00 0.00 H new ATOM 661 N ASP A 76 -8.325 -0.293 9.044 1.00 0.00 N ATOM 662 CA ASP A 76 -7.968 -0.294 10.448 1.00 0.00 C ATOM 663 C ASP A 76 -6.781 -1.212 10.667 1.00 0.00 C ATOM 664 O ASP A 76 -6.894 -2.425 10.523 1.00 0.00 O ATOM 665 CB ASP A 76 -9.143 -0.748 11.325 1.00 0.00 C ATOM 666 CG ASP A 76 -10.177 0.336 11.544 1.00 0.00 C ATOM 667 OD1 ASP A 76 -9.927 1.239 12.370 1.00 0.00 O ATOM 668 OD2 ASP A 76 -11.248 0.286 10.901 1.00 0.00 O ATOM 0 H ASP A 76 -8.615 -1.200 8.680 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.709 0.725 10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.622 -1.610 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.761 -1.077 12.291 1.00 0.00 H new ATOM 673 N PRO A 77 -5.617 -0.630 10.978 1.00 0.00 N ATOM 674 CA PRO A 77 -4.404 -1.378 11.354 1.00 0.00 C ATOM 675 C PRO A 77 -4.673 -2.367 12.485 1.00 0.00 C ATOM 676 O PRO A 77 -3.970 -3.366 12.643 1.00 0.00 O ATOM 677 CB PRO A 77 -3.452 -0.279 11.827 1.00 0.00 C ATOM 678 CG PRO A 77 -3.895 0.944 11.101 1.00 0.00 C ATOM 679 CD PRO A 77 -5.386 0.820 10.954 1.00 0.00 C ATOM 0 HA PRO A 77 -4.014 -1.977 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.511 -0.142 12.907 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.416 -0.525 11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.631 1.844 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.411 1.016 10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.912 1.323 11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.735 1.266 10.023 1.00 0.00 H new ATOM 687 N ASP A 78 -5.716 -2.075 13.250 1.00 0.00 N ATOM 688 CA ASP A 78 -6.141 -2.908 14.369 1.00 0.00 C ATOM 689 C ASP A 78 -6.818 -4.180 13.874 1.00 0.00 C ATOM 690 O ASP A 78 -7.027 -5.126 14.635 1.00 0.00 O ATOM 691 CB ASP A 78 -7.136 -2.135 15.236 1.00 0.00 C ATOM 692 CG ASP A 78 -6.577 -0.830 15.765 1.00 0.00 C ATOM 693 OD1 ASP A 78 -6.596 0.174 15.019 1.00 0.00 O ATOM 694 OD2 ASP A 78 -6.136 -0.794 16.932 1.00 0.00 O ATOM 0 H ASP A 78 -6.296 -1.247 13.111 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.256 -3.174 14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.033 -1.929 14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.439 -2.760 16.076 1.00 0.00 H new ATOM 699 N ARG A 79 -7.158 -4.198 12.594 1.00 0.00 N ATOM 700 CA ARG A 79 -7.974 -5.257 12.025 1.00 0.00 C ATOM 701 C ARG A 79 -7.343 -5.787 10.741 1.00 0.00 C ATOM 702 O ARG A 79 -6.447 -5.157 10.174 1.00 0.00 O ATOM 703 CB ARG A 79 -9.377 -4.716 11.761 1.00 0.00 C ATOM 704 CG ARG A 79 -10.134 -4.370 13.035 1.00 0.00 C ATOM 705 CD ARG A 79 -11.482 -3.735 12.748 1.00 0.00 C ATOM 706 NE ARG A 79 -12.173 -3.357 13.979 1.00 0.00 N ATOM 707 CZ ARG A 79 -12.835 -2.212 14.143 1.00 0.00 C ATOM 708 NH1 ARG A 79 -12.933 -1.342 13.143 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.408 -1.945 15.307 1.00 0.00 N ATOM 0 H ARG A 79 -6.877 -3.482 11.924 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.037 -6.088 12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.305 -3.826 11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.945 -5.456 11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.279 -5.274 13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.534 -3.688 13.638 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.343 -2.853 12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.100 -4.432 12.183 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.147 -4.010 14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.500 -1.549 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.441 -0.468 13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.342 -2.615 16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.916 -1.070 15.437 1.00 0.00 H new ATOM 723 N SER A 80 -7.795 -6.949 10.295 1.00 0.00 N ATOM 724 CA SER A 80 -7.206 -7.618 9.144 1.00 0.00 C ATOM 725 C SER A 80 -8.024 -7.428 7.863 1.00 0.00 C ATOM 726 O SER A 80 -9.062 -6.782 7.885 1.00 0.00 O ATOM 727 CB SER A 80 -7.098 -9.102 9.467 1.00 0.00 C ATOM 728 OG SER A 80 -8.364 -9.659 9.791 1.00 0.00 O ATOM 0 H SER A 80 -8.575 -7.453 10.717 1.00 0.00 H new ATOM 0 HA SER A 80 -6.227 -7.177 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.675 -9.631 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.412 -9.244 10.302 1.00 0.00 H new ATOM 0 HG SER A 80 -8.702 -9.246 10.613 1.00 0.00 H new ATOM 734 N LEU A 81 -7.529 -7.966 6.742 1.00 0.00 N ATOM 735 CA LEU A 81 -8.314 -8.033 5.500 1.00 0.00 C ATOM 736 C LEU A 81 -9.622 -8.776 5.749 1.00 0.00 C ATOM 737 O LEU A 81 -10.660 -8.436 5.190 1.00 0.00 O ATOM 738 CB LEU A 81 -7.538 -8.728 4.372 1.00 0.00 C ATOM 739 CG LEU A 81 -6.676 -7.835 3.465 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.576 -7.137 4.239 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.077 -8.662 2.337 1.00 0.00 C ATOM 0 H LEU A 81 -6.591 -8.361 6.668 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.521 -7.010 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.890 -9.481 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.255 -9.257 3.744 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.325 -7.065 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.991 -6.516 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.018 -6.510 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.927 -7.881 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.468 -8.021 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.455 -9.453 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.878 -9.105 1.746 1.00 0.00 H new ATOM 753 N PHE A 82 -9.556 -9.793 6.597 1.00 0.00 N ATOM 754 CA PHE A 82 -10.750 -10.504 7.032 1.00 0.00 C ATOM 755 C PHE A 82 -11.732 -9.566 7.751 1.00 0.00 C ATOM 756 O PHE A 82 -12.929 -9.832 7.831 1.00 0.00 O ATOM 757 CB PHE A 82 -10.374 -11.647 7.974 1.00 0.00 C ATOM 758 CG PHE A 82 -10.113 -12.964 7.312 1.00 0.00 C ATOM 759 CD1 PHE A 82 -10.353 -13.150 5.964 1.00 0.00 C ATOM 760 CD2 PHE A 82 -9.664 -14.035 8.063 1.00 0.00 C ATOM 761 CE1 PHE A 82 -10.144 -14.383 5.375 1.00 0.00 C ATOM 762 CE2 PHE A 82 -9.449 -15.268 7.479 1.00 0.00 C ATOM 763 CZ PHE A 82 -9.691 -15.442 6.134 1.00 0.00 C ATOM 0 H PHE A 82 -8.687 -10.145 6.998 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.235 -10.902 6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.484 -11.357 8.532 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.177 -11.777 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.707 -12.324 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.479 -13.906 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.335 -14.517 4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.092 -16.094 8.076 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.526 -16.406 5.675 1.00 0.00 H new ATOM 773 N ASP A 83 -11.209 -8.492 8.309 1.00 0.00 N ATOM 774 CA ASP A 83 -12.040 -7.492 8.964 1.00 0.00 C ATOM 775 C ASP A 83 -12.355 -6.355 7.997 1.00 0.00 C ATOM 776 O ASP A 83 -13.308 -5.599 8.189 1.00 0.00 O ATOM 777 CB ASP A 83 -11.332 -6.933 10.197 1.00 0.00 C ATOM 778 CG ASP A 83 -11.026 -7.977 11.253 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.967 -8.504 11.879 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.828 -8.253 11.485 1.00 0.00 O ATOM 0 H ASP A 83 -10.210 -8.286 8.324 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.970 -7.969 9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.400 -6.460 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.953 -6.154 10.639 1.00 0.00 H new ATOM 785 N GLN A 84 -11.559 -6.256 6.946 1.00 0.00 N ATOM 786 CA GLN A 84 -11.649 -5.151 6.007 1.00 0.00 C ATOM 787 C GLN A 84 -11.401 -5.622 4.578 1.00 0.00 C ATOM 788 O GLN A 84 -10.255 -5.644 4.120 1.00 0.00 O ATOM 789 CB GLN A 84 -10.617 -4.071 6.340 1.00 0.00 C ATOM 790 CG GLN A 84 -11.010 -3.090 7.437 1.00 0.00 C ATOM 791 CD GLN A 84 -10.399 -3.417 8.776 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.987 -3.140 9.814 1.00 0.00 O ATOM 793 NE2 GLN A 84 -9.199 -3.982 8.765 1.00 0.00 N ATOM 0 H GLN A 84 -10.834 -6.937 6.720 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.657 -4.743 6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.689 -4.561 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.406 -3.506 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.706 -2.085 7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.096 -3.079 7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.744 -4.196 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.731 -4.202 9.644 1.00 0.00 H new ATOM 802 N GLY A 85 -12.452 -6.007 3.875 1.00 0.00 N ATOM 803 CA GLY A 85 -12.306 -6.294 2.464 1.00 0.00 C ATOM 804 C GLY A 85 -12.548 -7.744 2.092 1.00 0.00 C ATOM 805 O GLY A 85 -13.694 -8.174 1.957 1.00 0.00 O ATOM 0 H GLY A 85 -13.394 -6.125 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.000 -5.667 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.300 -6.014 2.151 1.00 0.00 H new ATOM 809 N VAL A 86 -11.468 -8.501 1.937 1.00 0.00 N ATOM 810 CA VAL A 86 -11.543 -9.816 1.309 1.00 0.00 C ATOM 811 C VAL A 86 -11.571 -10.950 2.315 1.00 0.00 C ATOM 812 O VAL A 86 -11.041 -10.837 3.419 1.00 0.00 O ATOM 813 CB VAL A 86 -10.347 -10.067 0.372 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.318 -9.046 -0.756 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.028 -10.066 1.141 1.00 0.00 C ATOM 0 H VAL A 86 -10.532 -8.228 2.237 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.478 -9.805 0.749 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.473 -11.056 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.464 -9.244 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.238 -9.118 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.230 -8.043 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.204 -10.246 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.890 -9.100 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.047 -10.852 1.896 1.00 0.00 H new ATOM 825 N LYS A 87 -12.181 -12.057 1.913 1.00 0.00 N ATOM 826 CA LYS A 87 -12.083 -13.285 2.671 1.00 0.00 C ATOM 827 C LYS A 87 -11.458 -14.364 1.800 1.00 0.00 C ATOM 828 O LYS A 87 -12.130 -15.282 1.332 1.00 0.00 O ATOM 829 CB LYS A 87 -13.456 -13.738 3.168 1.00 0.00 C ATOM 830 CG LYS A 87 -14.237 -12.630 3.840 1.00 0.00 C ATOM 831 CD LYS A 87 -13.529 -12.084 5.071 1.00 0.00 C ATOM 832 CE LYS A 87 -13.907 -10.631 5.288 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.334 -10.474 5.680 1.00 0.00 N ATOM 0 H LYS A 87 -12.747 -12.124 1.067 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.455 -13.108 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.032 -14.122 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.328 -14.562 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.399 -11.820 3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.220 -13.004 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.800 -12.673 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.450 -12.173 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.270 -10.203 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.719 -10.068 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.547 -9.465 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.944 -10.858 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.509 -10.989 6.566 1.00 0.00 H new ATOM 847 N THR A 88 -10.164 -14.233 1.584 1.00 0.00 N ATOM 848 CA THR A 88 -9.393 -15.244 0.894 1.00 0.00 C ATOM 849 C THR A 88 -8.582 -15.993 1.945 1.00 0.00 C ATOM 850 O THR A 88 -9.096 -16.251 3.033 1.00 0.00 O ATOM 851 CB THR A 88 -8.504 -14.613 -0.216 1.00 0.00 C ATOM 852 OG1 THR A 88 -7.719 -15.613 -0.874 1.00 0.00 O ATOM 853 CG2 THR A 88 -7.596 -13.526 0.335 1.00 0.00 C ATOM 0 H THR A 88 -9.620 -13.423 1.882 1.00 0.00 H new ATOM 0 HA THR A 88 -10.046 -15.946 0.375 1.00 0.00 H new ATOM 0 HB THR A 88 -9.179 -14.156 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.050 -15.740 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.993 -13.112 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.202 -12.735 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.941 -13.950 1.096 1.00 0.00 H new ATOM 861 N ASP A 89 -7.339 -16.336 1.672 1.00 0.00 N ATOM 862 CA ASP A 89 -6.576 -17.090 2.647 1.00 0.00 C ATOM 863 C ASP A 89 -5.100 -16.758 2.626 1.00 0.00 C ATOM 864 O ASP A 89 -4.453 -16.766 1.578 1.00 0.00 O ATOM 865 CB ASP A 89 -6.769 -18.588 2.435 1.00 0.00 C ATOM 866 CG ASP A 89 -5.865 -19.416 3.323 1.00 0.00 C ATOM 867 OD1 ASP A 89 -6.056 -19.398 4.556 1.00 0.00 O ATOM 868 OD2 ASP A 89 -4.951 -20.083 2.794 1.00 0.00 O ATOM 0 H ASP A 89 -6.846 -16.112 0.808 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.959 -16.802 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.808 -18.850 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.573 -18.833 1.391 1.00 0.00 H new ATOM 873 N GLY A 90 -4.593 -16.434 3.805 1.00 0.00 N ATOM 874 CA GLY A 90 -3.168 -16.343 4.010 1.00 0.00 C ATOM 875 C GLY A 90 -2.604 -14.997 3.637 1.00 0.00 C ATOM 876 O GLY A 90 -2.948 -13.982 4.238 1.00 0.00 O ATOM 0 H GLY A 90 -5.154 -16.230 4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.943 -16.547 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.672 -17.114 3.421 1.00 0.00 H new ATOM 880 N THR A 91 -1.732 -15.003 2.657 1.00 0.00 N ATOM 881 CA THR A 91 -1.035 -13.805 2.230 1.00 0.00 C ATOM 882 C THR A 91 -1.509 -13.355 0.855 1.00 0.00 C ATOM 883 O THR A 91 -1.597 -14.160 -0.067 1.00 0.00 O ATOM 884 CB THR A 91 0.482 -14.063 2.185 1.00 0.00 C ATOM 885 OG1 THR A 91 0.949 -14.463 3.478 1.00 0.00 O ATOM 886 CG2 THR A 91 1.246 -12.834 1.720 1.00 0.00 C ATOM 0 H THR A 91 -1.483 -15.839 2.129 1.00 0.00 H new ATOM 0 HA THR A 91 -1.253 -13.017 2.950 1.00 0.00 H new ATOM 0 HB THR A 91 0.662 -14.863 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.914 -14.627 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.313 -13.055 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.915 -12.557 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.058 -12.008 2.406 1.00 0.00 H new ATOM 894 N VAL A 92 -1.855 -12.084 0.730 1.00 0.00 N ATOM 895 CA VAL A 92 -2.128 -11.501 -0.576 1.00 0.00 C ATOM 896 C VAL A 92 -1.048 -10.500 -0.936 1.00 0.00 C ATOM 897 O VAL A 92 -0.278 -10.069 -0.076 1.00 0.00 O ATOM 898 CB VAL A 92 -3.501 -10.807 -0.646 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.600 -11.779 -0.276 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.545 -9.573 0.235 1.00 0.00 C ATOM 0 H VAL A 92 -1.954 -11.438 1.513 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.138 -12.326 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.662 -10.478 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.565 -11.275 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.591 -12.620 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.437 -12.143 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.528 -9.108 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.355 -9.858 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.784 -8.865 -0.092 1.00 0.00 H new ATOM 910 N GLN A 93 -0.995 -10.133 -2.203 1.00 0.00 N ATOM 911 CA GLN A 93 -0.043 -9.148 -2.668 1.00 0.00 C ATOM 912 C GLN A 93 -0.760 -7.808 -2.786 1.00 0.00 C ATOM 913 O GLN A 93 -1.718 -7.665 -3.544 1.00 0.00 O ATOM 914 CB GLN A 93 0.558 -9.589 -4.008 1.00 0.00 C ATOM 915 CG GLN A 93 1.936 -9.011 -4.308 1.00 0.00 C ATOM 916 CD GLN A 93 1.897 -7.566 -4.764 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.761 -7.279 -5.950 1.00 0.00 O ATOM 918 NE2 GLN A 93 2.046 -6.645 -3.829 1.00 0.00 N ATOM 0 H GLN A 93 -1.605 -10.506 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 93 0.782 -9.048 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.625 -10.677 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.124 -9.302 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.555 -9.085 -3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.415 -9.615 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.156 -6.922 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.051 -5.657 -4.082 1.00 0.00 H new ATOM 927 N LEU A 94 -0.295 -6.850 -2.008 1.00 0.00 N ATOM 928 CA LEU A 94 -0.925 -5.542 -1.930 1.00 0.00 C ATOM 929 C LEU A 94 -0.211 -4.548 -2.824 1.00 0.00 C ATOM 930 O LEU A 94 0.968 -4.252 -2.617 1.00 0.00 O ATOM 931 CB LEU A 94 -0.914 -4.996 -0.498 1.00 0.00 C ATOM 932 CG LEU A 94 -1.667 -5.808 0.560 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.975 -6.362 0.029 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.795 -6.918 1.123 1.00 0.00 C ATOM 0 H LEU A 94 0.527 -6.953 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.956 -5.669 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.124 -4.903 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.334 -3.990 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.913 -5.123 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.474 -6.931 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.617 -5.540 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.775 -7.015 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.356 -7.477 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.495 -7.589 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.093 -6.485 1.584 1.00 0.00 H new ATOM 946 N SER A 95 -0.910 -4.039 -3.823 1.00 0.00 N ATOM 947 CA SER A 95 -0.397 -2.904 -4.572 1.00 0.00 C ATOM 948 C SER A 95 -0.769 -1.641 -3.802 1.00 0.00 C ATOM 949 O SER A 95 -1.691 -0.911 -4.160 1.00 0.00 O ATOM 950 CB SER A 95 -0.977 -2.884 -5.991 1.00 0.00 C ATOM 951 OG SER A 95 -0.312 -1.939 -6.816 1.00 0.00 O ATOM 0 H SER A 95 -1.819 -4.385 -4.131 1.00 0.00 H new ATOM 0 HA SER A 95 0.686 -2.971 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.892 -3.877 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.039 -2.645 -5.947 1.00 0.00 H new ATOM 0 HG SER A 95 -0.706 -1.954 -7.713 1.00 0.00 H new ATOM 957 N VAL A 96 -0.055 -1.430 -2.711 1.00 0.00 N ATOM 958 CA VAL A 96 -0.329 -0.332 -1.798 1.00 0.00 C ATOM 959 C VAL A 96 0.456 0.928 -2.170 1.00 0.00 C ATOM 960 O VAL A 96 1.671 0.901 -2.370 1.00 0.00 O ATOM 961 CB VAL A 96 -0.067 -0.767 -0.332 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.248 -1.525 -0.210 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.099 0.424 0.614 1.00 0.00 C ATOM 0 H VAL A 96 0.732 -2.015 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.384 -0.075 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.872 -1.442 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.405 -1.817 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.214 -2.416 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.068 -0.885 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.088 0.085 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.669 1.140 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.078 0.902 0.565 1.00 0.00 H new ATOM 973 N GLN A 97 -0.283 2.019 -2.291 1.00 0.00 N ATOM 974 CA GLN A 97 0.249 3.319 -2.664 1.00 0.00 C ATOM 975 C GLN A 97 0.339 4.230 -1.451 1.00 0.00 C ATOM 976 O GLN A 97 -0.451 4.107 -0.523 1.00 0.00 O ATOM 977 CB GLN A 97 -0.679 3.987 -3.675 1.00 0.00 C ATOM 978 CG GLN A 97 -0.662 3.379 -5.064 1.00 0.00 C ATOM 979 CD GLN A 97 -1.373 4.251 -6.089 1.00 0.00 C ATOM 980 OE1 GLN A 97 -1.060 4.216 -7.281 1.00 0.00 O ATOM 981 NE2 GLN A 97 -2.323 5.053 -5.629 1.00 0.00 N ATOM 0 H GLN A 97 -1.290 2.025 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 97 1.241 3.164 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.698 3.948 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.408 5.040 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.371 3.224 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.137 2.398 -5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.553 5.053 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.824 5.670 -6.269 1.00 0.00 H new ATOM 990 N VAL A 98 1.299 5.140 -1.456 1.00 0.00 N ATOM 991 CA VAL A 98 1.306 6.205 -0.491 1.00 0.00 C ATOM 992 C VAL A 98 0.605 7.421 -1.106 1.00 0.00 C ATOM 993 O VAL A 98 0.997 7.931 -2.161 1.00 0.00 O ATOM 994 CB VAL A 98 2.736 6.545 0.005 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.577 5.285 0.138 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.439 7.579 -0.861 1.00 0.00 C ATOM 0 H VAL A 98 2.076 5.155 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 98 0.763 5.884 0.398 1.00 0.00 H new ATOM 0 HB VAL A 98 2.621 6.997 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.575 5.549 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.109 4.609 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.650 4.792 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.434 7.773 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.525 7.202 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.863 8.504 -0.863 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.491 7.809 -0.496 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.306 8.891 -1.006 1.00 0.00 C ATOM 1008 C ILE A 99 -1.190 10.137 -0.158 1.00 0.00 C ATOM 1009 O ILE A 99 -1.578 10.139 1.009 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.804 8.507 -1.043 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -3.090 7.480 -2.133 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.680 9.742 -1.232 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.565 7.168 -2.276 1.00 0.00 C ATOM 0 H ILE A 99 -0.843 7.387 0.363 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.934 9.085 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.048 8.054 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.708 7.851 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.549 6.560 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.728 9.444 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.517 10.434 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.421 10.231 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.706 6.431 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.945 6.769 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.107 8.079 -2.529 1.00 0.00 H new ATOM 1025 N SER A 100 -0.658 11.192 -0.731 1.00 0.00 N ATOM 1026 CA SER A 100 -0.878 12.504 -0.184 1.00 0.00 C ATOM 1027 C SER A 100 -1.307 13.433 -1.321 1.00 0.00 C ATOM 1028 O SER A 100 -0.484 14.064 -1.983 1.00 0.00 O ATOM 1029 CB SER A 100 0.390 12.986 0.540 1.00 0.00 C ATOM 1030 OG SER A 100 1.500 13.077 -0.345 1.00 0.00 O ATOM 0 H SER A 100 -0.076 11.165 -1.568 1.00 0.00 H new ATOM 0 HA SER A 100 -1.674 12.494 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.203 13.961 0.991 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.628 12.300 1.353 1.00 0.00 H new ATOM 0 HG SER A 100 1.201 13.427 -1.210 1.00 0.00 H new ATOM 1036 N TYR A 101 -2.618 13.502 -1.544 1.00 0.00 N ATOM 1037 CA TYR A 101 -3.173 14.260 -2.659 1.00 0.00 C ATOM 1038 C TYR A 101 -3.618 15.639 -2.206 1.00 0.00 C ATOM 1039 O TYR A 101 -4.333 15.766 -1.214 1.00 0.00 O ATOM 1040 CB TYR A 101 -4.375 13.528 -3.279 1.00 0.00 C ATOM 1041 CG TYR A 101 -4.055 12.180 -3.890 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -2.782 11.895 -4.367 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -5.031 11.189 -3.996 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -2.488 10.669 -4.925 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -4.740 9.961 -4.554 1.00 0.00 C ATOM 1046 CZ TYR A 101 -3.468 9.705 -5.016 1.00 0.00 C ATOM 1047 OH TYR A 101 -3.173 8.481 -5.573 1.00 0.00 O ATOM 0 H TYR A 101 -3.317 13.039 -0.963 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.386 14.359 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.135 13.391 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.812 14.165 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.009 12.647 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.030 11.386 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.492 10.465 -5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.506 9.204 -4.628 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.973 7.915 -5.561 1.00 0.00 H new ATOM 1057 N GLN A 102 -3.184 16.666 -2.932 1.00 0.00 N ATOM 1058 CA GLN A 102 -3.638 18.038 -2.698 1.00 0.00 C ATOM 1059 C GLN A 102 -3.243 18.526 -1.307 1.00 0.00 C ATOM 1060 O GLN A 102 -3.868 19.433 -0.758 1.00 0.00 O ATOM 1061 CB GLN A 102 -5.161 18.118 -2.858 1.00 0.00 C ATOM 1062 CG GLN A 102 -5.666 17.565 -4.179 1.00 0.00 C ATOM 1063 CD GLN A 102 -7.135 17.198 -4.135 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -7.840 17.288 -5.139 1.00 0.00 O ATOM 1065 NE2 GLN A 102 -7.604 16.762 -2.972 1.00 0.00 N ATOM 0 H GLN A 102 -2.512 16.574 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.155 18.681 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.632 17.571 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.473 19.158 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.504 18.304 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.083 16.683 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.986 16.702 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.582 16.487 -2.888 1.00 0.00 H new ATOM 1074 N GLY A 103 -2.198 17.931 -0.746 1.00 0.00 N ATOM 1075 CA GLY A 103 -1.810 18.260 0.609 1.00 0.00 C ATOM 1076 C GLY A 103 -2.786 17.695 1.622 1.00 0.00 C ATOM 1077 O GLY A 103 -3.441 18.439 2.356 1.00 0.00 O ATOM 0 H GLY A 103 -1.615 17.230 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.812 17.869 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.756 19.343 0.720 1.00 0.00 H new ATOM 1081 N MET A 104 -2.888 16.377 1.659 1.00 0.00 N ATOM 1082 CA MET A 104 -3.830 15.703 2.539 1.00 0.00 C ATOM 1083 C MET A 104 -3.090 14.786 3.495 1.00 0.00 C ATOM 1084 O MET A 104 -1.877 14.608 3.379 1.00 0.00 O ATOM 1085 CB MET A 104 -4.838 14.882 1.735 1.00 0.00 C ATOM 1086 CG MET A 104 -4.249 13.622 1.115 1.00 0.00 C ATOM 1087 SD MET A 104 -5.482 12.625 0.264 1.00 0.00 S ATOM 1088 CE MET A 104 -6.661 12.378 1.586 1.00 0.00 C ATOM 0 H MET A 104 -2.326 15.748 1.086 1.00 0.00 H new ATOM 0 HA MET A 104 -4.366 16.467 3.103 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.666 14.602 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.252 15.506 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.465 13.901 0.411 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.779 13.023 1.895 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.408 11.648 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.143 12.012 2.472 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.152 13.323 1.817 1.00 0.00 H new ATOM 1098 N GLU A 105 -3.831 14.209 4.428 1.00 0.00 N ATOM 1099 CA GLU A 105 -3.280 13.275 5.384 1.00 0.00 C ATOM 1100 C GLU A 105 -2.892 11.988 4.667 1.00 0.00 C ATOM 1101 O GLU A 105 -3.745 11.282 4.126 1.00 0.00 O ATOM 1102 CB GLU A 105 -4.276 12.999 6.529 1.00 0.00 C ATOM 1103 CG GLU A 105 -5.663 12.520 6.090 1.00 0.00 C ATOM 1104 CD GLU A 105 -6.498 13.602 5.424 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -6.227 14.800 5.655 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -7.429 13.262 4.664 1.00 0.00 O ATOM 0 H GLU A 105 -4.831 14.378 4.540 1.00 0.00 H new ATOM 0 HA GLU A 105 -2.388 13.711 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.844 12.249 7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.393 13.911 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.548 11.685 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.200 12.142 6.960 1.00 0.00 H new ATOM 1113 N PRO A 106 -1.585 11.704 4.613 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.042 10.543 3.912 1.00 0.00 C ATOM 1115 C PRO A 106 -1.757 9.239 4.258 1.00 0.00 C ATOM 1116 O PRO A 106 -1.829 8.827 5.419 1.00 0.00 O ATOM 1117 CB PRO A 106 0.431 10.495 4.345 1.00 0.00 C ATOM 1118 CG PRO A 106 0.560 11.495 5.443 1.00 0.00 C ATOM 1119 CD PRO A 106 -0.519 12.506 5.218 1.00 0.00 C ATOM 0 HA PRO A 106 -1.172 10.642 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.706 9.498 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.092 10.739 3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.450 11.019 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.543 11.965 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.840 12.971 6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.191 13.309 4.558 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.317 8.639 3.229 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.936 7.320 3.309 1.00 0.00 C ATOM 1129 C LYS A 107 -2.129 6.325 2.513 1.00 0.00 C ATOM 1130 O LYS A 107 -1.706 6.629 1.410 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.330 7.331 2.700 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.389 8.057 3.498 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.701 8.058 2.734 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.612 8.916 1.485 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.947 9.158 0.877 1.00 0.00 N ATOM 0 H LYS A 107 -2.359 9.054 2.298 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.982 7.050 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.271 7.786 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.652 6.300 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.522 7.574 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.071 9.081 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.964 7.037 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.498 8.430 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.149 9.871 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.965 8.428 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.892 9.971 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.245 8.314 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.639 9.358 1.627 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.924 5.142 3.041 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.334 4.085 2.241 1.00 0.00 C ATOM 1151 C LEU A 108 -2.444 3.147 1.782 1.00 0.00 C ATOM 1152 O LEU A 108 -2.864 2.279 2.540 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.286 3.287 3.043 1.00 0.00 C ATOM 1154 CG LEU A 108 1.011 4.018 3.456 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.030 5.466 2.994 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.191 3.922 4.963 1.00 0.00 C ATOM 0 H LEU A 108 -2.150 4.885 4.002 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.828 4.534 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.767 2.919 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.006 2.414 2.453 1.00 0.00 H new ATOM 0 HG LEU A 108 1.848 3.526 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.962 5.936 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.954 5.502 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.188 6.000 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.106 4.438 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.339 4.385 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.257 2.874 5.256 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.900 3.283 0.538 1.00 0.00 N ATOM 1169 CA ASN A 109 -4.012 2.464 0.059 1.00 0.00 C ATOM 1170 C ASN A 109 -3.544 1.320 -0.788 1.00 0.00 C ATOM 1171 O ASN A 109 -2.741 1.478 -1.691 1.00 0.00 O ATOM 1172 CB ASN A 109 -5.041 3.240 -0.764 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.454 3.961 -1.960 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.286 4.334 -1.974 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.273 4.169 -2.982 1.00 0.00 N ATOM 0 H ASN A 109 -2.525 3.940 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.484 2.105 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.810 2.549 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.533 3.968 -0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.937 4.653 -3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.239 3.845 -2.936 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.081 0.168 -0.505 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.878 -0.974 -1.347 1.00 0.00 C ATOM 1184 C ILE A 110 -4.836 -0.919 -2.512 1.00 0.00 C ATOM 1185 O ILE A 110 -6.045 -0.913 -2.325 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.126 -2.266 -0.575 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.266 -2.279 0.686 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -3.844 -3.460 -1.467 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.689 -3.313 1.701 1.00 0.00 C ATOM 0 H ILE A 110 -4.668 -0.005 0.311 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.847 -0.959 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.170 -2.325 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.229 -2.462 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.302 -1.293 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.023 -4.380 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.501 -3.428 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.805 -3.431 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.031 -3.261 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.716 -3.119 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.626 -4.306 1.256 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.310 -0.889 -3.708 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.154 -0.810 -4.875 1.00 0.00 C ATOM 1203 C LEU A 111 -5.480 -2.201 -5.382 1.00 0.00 C ATOM 1204 O LEU A 111 -6.354 -2.367 -6.232 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.497 0.002 -5.996 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.496 1.519 -5.802 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.903 2.031 -5.545 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.575 1.915 -4.669 1.00 0.00 C ATOM 0 H LEU A 111 -3.309 -0.918 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.072 -0.302 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.465 -0.333 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.007 -0.226 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.127 1.975 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.878 3.112 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.540 1.786 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.302 1.562 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.590 2.998 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.911 1.443 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.560 1.589 -4.895 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.806 -3.219 -4.845 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.931 -4.540 -5.412 1.00 0.00 C ATOM 1222 C GLU A 112 -4.667 -5.597 -4.367 1.00 0.00 C ATOM 1223 O GLU A 112 -3.687 -5.518 -3.631 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.948 -4.715 -6.564 1.00 0.00 C ATOM 1225 CG GLU A 112 -4.223 -5.955 -7.386 1.00 0.00 C ATOM 1226 CD GLU A 112 -5.444 -5.791 -8.266 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -5.334 -5.116 -9.311 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -6.519 -6.314 -7.911 1.00 0.00 O ATOM 0 H GLU A 112 -4.186 -3.148 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.950 -4.653 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.993 -3.839 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.934 -4.766 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.356 -6.178 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.367 -6.807 -6.721 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.546 -6.574 -4.308 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.374 -7.699 -3.419 1.00 0.00 C ATOM 1237 C ILE A 113 -5.417 -8.987 -4.205 1.00 0.00 C ATOM 1238 O ILE A 113 -6.378 -9.246 -4.923 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.449 -7.738 -2.321 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.179 -6.650 -1.290 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.503 -9.107 -1.656 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.076 -6.752 -0.089 1.00 0.00 C ATOM 0 H ILE A 113 -6.395 -6.610 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.404 -7.585 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.420 -7.554 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.139 -6.711 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.312 -5.673 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.272 -9.106 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.740 -9.865 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.536 -9.331 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.838 -5.952 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.116 -6.663 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.925 -7.716 0.397 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.373 -9.782 -4.081 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.298 -11.038 -4.791 1.00 0.00 C ATOM 1256 C VAL A 114 -3.571 -12.081 -3.962 1.00 0.00 C ATOM 1257 O VAL A 114 -2.376 -11.960 -3.712 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.606 -10.872 -6.159 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.631 -10.592 -7.247 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.580 -9.746 -6.097 1.00 0.00 C ATOM 0 H VAL A 114 -3.565 -9.578 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.319 -11.376 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.093 -11.802 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.123 -10.478 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.335 -11.422 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.171 -9.675 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.098 -9.639 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.079 -8.813 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.828 -9.980 -5.343 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.322 -13.078 -3.498 1.00 0.00 N ATOM 1271 CA LYS A 115 -3.771 -14.136 -2.669 1.00 0.00 C ATOM 1272 C LYS A 115 -2.585 -14.787 -3.350 1.00 0.00 C ATOM 1273 O LYS A 115 -2.605 -15.051 -4.555 1.00 0.00 O ATOM 1274 CB LYS A 115 -4.818 -15.199 -2.320 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.321 -15.997 -3.511 1.00 0.00 C ATOM 1276 CD LYS A 115 -5.715 -17.411 -3.108 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.519 -18.180 -2.556 1.00 0.00 C ATOM 1278 NZ LYS A 115 -4.852 -19.598 -2.251 1.00 0.00 N ATOM 0 H LYS A 115 -5.320 -13.171 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.443 -13.672 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.391 -15.887 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.667 -14.712 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.179 -15.491 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.546 -16.038 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.504 -17.372 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.123 -17.938 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.704 -18.148 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.161 -17.690 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.009 -20.080 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.612 -19.631 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.168 -20.075 -3.119 1.00 0.00 H new ATOM 1292 N THR A 116 -1.561 -15.008 -2.556 1.00 0.00 N ATOM 1293 CA THR A 116 -0.321 -15.610 -3.002 1.00 0.00 C ATOM 1294 C THR A 116 0.469 -14.647 -3.893 1.00 0.00 C ATOM 1295 O THR A 116 1.434 -14.029 -3.441 1.00 0.00 O ATOM 1296 CB THR A 116 -0.576 -16.940 -3.731 1.00 0.00 C ATOM 1297 OG1 THR A 116 -1.221 -17.870 -2.847 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.722 -17.523 -4.230 1.00 0.00 C ATOM 0 H THR A 116 -1.565 -14.771 -1.564 1.00 0.00 H new ATOM 0 HA THR A 116 0.278 -15.823 -2.116 1.00 0.00 H new ATOM 0 HB THR A 116 -1.226 -16.749 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.381 -18.713 -3.320 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.525 -18.464 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.193 -16.824 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.388 -17.703 -3.386 1.00 0.00 H new ATOM 1306 N ALA A 117 0.053 -14.513 -5.142 1.00 0.00 N ATOM 1307 CA ALA A 117 0.687 -13.586 -6.060 1.00 0.00 C ATOM 1308 C ALA A 117 -0.350 -12.990 -6.996 1.00 0.00 C ATOM 1309 O ALA A 117 -0.681 -11.815 -6.890 1.00 0.00 O ATOM 1310 CB ALA A 117 1.794 -14.274 -6.845 1.00 0.00 C ATOM 0 H ALA A 117 -0.724 -15.038 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 117 1.140 -12.779 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.255 -13.559 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.547 -14.655 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.374 -15.102 -7.417 1.00 0.00 H new ATOM 1316 N GLU A 118 -0.836 -13.785 -7.935 1.00 0.00 N ATOM 1317 CA GLU A 118 -1.927 -13.354 -8.794 1.00 0.00 C ATOM 1318 C GLU A 118 -2.954 -14.476 -8.991 1.00 0.00 C ATOM 1319 O GLU A 118 -2.737 -15.392 -9.782 1.00 0.00 O ATOM 1320 CB GLU A 118 -1.392 -12.836 -10.146 1.00 0.00 C ATOM 1321 CG GLU A 118 -0.693 -13.876 -11.024 1.00 0.00 C ATOM 1322 CD GLU A 118 0.636 -14.356 -10.478 1.00 0.00 C ATOM 1323 OE1 GLU A 118 1.660 -13.690 -10.729 1.00 0.00 O ATOM 1324 OE2 GLU A 118 0.669 -15.416 -9.820 1.00 0.00 O ATOM 0 H GLU A 118 -0.494 -14.728 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.437 -12.527 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.225 -12.414 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.693 -12.022 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.354 -14.734 -11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -0.534 -13.451 -12.015 1.00 0.00 H new ATOM 1331 N THR A 119 -4.071 -14.437 -8.264 1.00 0.00 N ATOM 1332 CA THR A 119 -5.116 -15.427 -8.504 1.00 0.00 C ATOM 1333 C THR A 119 -6.439 -15.126 -7.805 1.00 0.00 C ATOM 1334 O THR A 119 -7.486 -15.589 -8.257 1.00 0.00 O ATOM 1335 CB THR A 119 -4.657 -16.863 -8.153 1.00 0.00 C ATOM 1336 OG1 THR A 119 -5.651 -17.813 -8.561 1.00 0.00 O ATOM 1337 CG2 THR A 119 -4.385 -17.015 -6.666 1.00 0.00 C ATOM 0 H THR A 119 -4.271 -13.757 -7.531 1.00 0.00 H new ATOM 0 HA THR A 119 -5.300 -15.361 -9.576 1.00 0.00 H new ATOM 0 HB THR A 119 -3.727 -17.053 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.504 -17.353 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 119 -4.065 -18.036 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 119 -3.600 -16.320 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.294 -16.798 -6.106 1.00 0.00 H new ATOM 1345 N VAL A 120 -6.430 -14.379 -6.711 1.00 0.00 N ATOM 1346 CA VAL A 120 -7.704 -14.081 -6.060 1.00 0.00 C ATOM 1347 C VAL A 120 -8.450 -12.980 -6.807 1.00 0.00 C ATOM 1348 O VAL A 120 -7.873 -11.962 -7.198 1.00 0.00 O ATOM 1349 CB VAL A 120 -7.579 -13.716 -4.560 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -7.254 -12.247 -4.349 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -8.858 -14.084 -3.822 1.00 0.00 C ATOM 0 H VAL A 120 -5.600 -13.983 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.275 -15.009 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 120 -6.747 -14.292 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.177 -12.041 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.307 -12.011 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.045 -11.634 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -8.758 -13.823 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.697 -13.538 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -9.036 -15.155 -3.915 1.00 0.00 H new ATOM 1361 N GLU A 121 -9.726 -13.228 -7.029 1.00 0.00 N ATOM 1362 CA GLU A 121 -10.609 -12.281 -7.683 1.00 0.00 C ATOM 1363 C GLU A 121 -11.812 -12.050 -6.775 1.00 0.00 C ATOM 1364 O GLU A 121 -12.292 -12.991 -6.144 1.00 0.00 O ATOM 1365 CB GLU A 121 -11.087 -12.854 -9.025 1.00 0.00 C ATOM 1366 CG GLU A 121 -9.984 -13.460 -9.886 1.00 0.00 C ATOM 1367 CD GLU A 121 -9.240 -12.438 -10.720 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -9.758 -12.055 -11.791 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -8.124 -12.040 -10.336 1.00 0.00 O ATOM 0 H GLU A 121 -10.183 -14.099 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.083 -11.345 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.840 -13.618 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.576 -12.061 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -9.274 -13.978 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.420 -14.209 -10.547 1.00 0.00 H new ATOM 1376 N TRP A 122 -12.297 -10.824 -6.681 1.00 0.00 N ATOM 1377 CA TRP A 122 -13.463 -10.560 -5.851 1.00 0.00 C ATOM 1378 C TRP A 122 -14.532 -9.817 -6.643 1.00 0.00 C ATOM 1379 O TRP A 122 -15.633 -10.379 -6.813 1.00 0.00 O ATOM 1380 CB TRP A 122 -13.088 -9.815 -4.553 1.00 0.00 C ATOM 1381 CG TRP A 122 -12.595 -8.405 -4.727 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -13.317 -7.261 -4.541 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -11.277 -7.989 -5.099 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -12.533 -6.162 -4.782 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -11.277 -6.580 -5.126 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -10.102 -8.665 -5.416 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -10.142 -5.844 -5.452 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -8.979 -7.935 -5.739 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -9.005 -6.536 -5.756 1.00 0.00 C ATOM 1390 OXT TRP A 122 -14.259 -8.701 -7.131 1.00 0.00 O ATOM 0 H TRP A 122 -11.912 -10.009 -7.158 1.00 0.00 H new ATOM 0 HA TRP A 122 -13.880 -11.520 -5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -13.962 -9.797 -3.902 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -12.318 -10.388 -4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -14.356 -7.227 -4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -12.837 -5.191 -4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -10.071 -9.745 -5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -10.160 -4.764 -5.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -8.063 -8.452 -5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -8.108 -5.993 -6.015 1.00 0.00 H new TER 1401 TRP A 122