USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 652 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 20 GLN : amide:sc= 0.711 K(o=0.48,f=-3) USER MOD Set 1.2: A 80 CYS SG : rot 149:sc= 0.462 USER MOD Set 1.3: A 84 MET CE :methyl -165:sc= -0.689 (180deg=-0.601) USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 GLN : amide:sc= -0.0199 X(o=-0.02,f=0.29) USER MOD Set 3.1: A 12 ASN : amide:sc= -0.939 K(o=-0.38,f=-8.7!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -148:sc= 0.564 (180deg=0) USER MOD Set 4.1: A 8 HIS : no HD1:sc= -0.761 X(o=-2.3,f=-1.9) USER MOD Set 4.2: A 16 ASN : amide:sc= -1.54 K(o=-2.3,f=-3) USER MOD Single : A 6 GLN : amide:sc= -2.21! C(o=-2.2!,f=-7.4!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 15 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.8) USER MOD Single : A 18 THR OG1 : rot -90:sc= -1.07 USER MOD Single : A 23 MET CE :methyl 136:sc= -0.567 (180deg=-2.88!) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000974) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= -0.0372 (180deg=-0.377) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0991 K(o=-0.099,f=-0.6) USER MOD Single : A 44 GLN : amide:sc= 0.677 K(o=0.68,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -136:sc= -3.3! (180deg=-6.51!) USER MOD Single : A 55 GLN : amide:sc= -0.696 K(o=-0.7,f=-1.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 60 ASN : amide:sc= 0.287 K(o=0.29,f=-2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 62 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.0042) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.06) USER MOD Single : A 77 GLN : amide:sc= 0.772 K(o=0.77,f=-0.089) USER MOD Single : A 82 MET CE :methyl -146:sc= -1.22 (180deg=-3.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -7.699 -12.489 4.608 1.00 0.00 N ATOM 2 CA GLY A 5 -6.455 -12.002 4.056 1.00 0.00 C ATOM 3 C GLY A 5 -5.700 -13.093 3.325 1.00 0.00 C ATOM 4 O GLY A 5 -5.645 -13.099 2.093 1.00 0.00 O ATOM 0 HA2 GLY A 5 -6.659 -11.179 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.833 -11.603 4.857 1.00 0.00 H new ATOM 8 N GLN A 6 -5.163 -14.035 4.095 1.00 0.00 N ATOM 9 CA GLN A 6 -4.338 -15.114 3.563 1.00 0.00 C ATOM 10 C GLN A 6 -3.097 -14.551 2.888 1.00 0.00 C ATOM 11 O GLN A 6 -3.009 -14.476 1.656 1.00 0.00 O ATOM 12 CB GLN A 6 -5.129 -16.008 2.600 1.00 0.00 C ATOM 13 CG GLN A 6 -6.308 -16.723 3.249 1.00 0.00 C ATOM 14 CD GLN A 6 -5.897 -17.682 4.357 1.00 0.00 C ATOM 15 OE1 GLN A 6 -4.901 -17.475 5.050 1.00 0.00 O ATOM 16 NE2 GLN A 6 -6.667 -18.742 4.532 1.00 0.00 N ATOM 0 H GLN A 6 -5.288 -14.071 5.107 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.024 -15.738 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.496 -15.400 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.455 -16.752 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.994 -15.981 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.854 -17.275 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.485 -18.882 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.443 -19.420 5.260 1.00 0.00 H new ATOM 25 N PHE A 7 -2.141 -14.162 3.716 1.00 0.00 N ATOM 26 CA PHE A 7 -0.906 -13.549 3.259 1.00 0.00 C ATOM 27 C PHE A 7 0.005 -14.557 2.559 1.00 0.00 C ATOM 28 O PHE A 7 0.987 -15.036 3.132 1.00 0.00 O ATOM 29 CB PHE A 7 -0.182 -12.891 4.439 1.00 0.00 C ATOM 30 CG PHE A 7 -0.361 -13.609 5.752 1.00 0.00 C ATOM 31 CD1 PHE A 7 0.334 -14.776 6.028 1.00 0.00 C ATOM 32 CD2 PHE A 7 -1.229 -13.110 6.712 1.00 0.00 C ATOM 33 CE1 PHE A 7 0.170 -15.431 7.233 1.00 0.00 C ATOM 34 CE2 PHE A 7 -1.397 -13.761 7.920 1.00 0.00 C ATOM 35 CZ PHE A 7 -0.696 -14.923 8.181 1.00 0.00 C ATOM 0 H PHE A 7 -2.201 -14.263 4.729 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.162 -12.785 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.882 -12.834 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.541 -11.867 4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.013 -15.179 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.780 -12.203 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.719 -16.339 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.076 -13.362 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.825 -15.433 9.124 1.00 0.00 H new ATOM 45 N HIS A 8 -0.341 -14.866 1.313 1.00 0.00 N ATOM 46 CA HIS A 8 0.455 -15.744 0.460 1.00 0.00 C ATOM 47 C HIS A 8 0.426 -17.172 1.011 1.00 0.00 C ATOM 48 O HIS A 8 -0.431 -17.507 1.829 1.00 0.00 O ATOM 49 CB HIS A 8 1.894 -15.205 0.361 1.00 0.00 C ATOM 50 CG HIS A 8 2.582 -15.490 -0.941 1.00 0.00 C ATOM 51 ND1 HIS A 8 2.206 -14.917 -2.137 1.00 0.00 N ATOM 52 CD2 HIS A 8 3.638 -16.285 -1.226 1.00 0.00 C ATOM 53 CE1 HIS A 8 3.003 -15.347 -3.098 1.00 0.00 C ATOM 54 NE2 HIS A 8 3.880 -16.180 -2.573 1.00 0.00 N ATOM 0 H HIS A 8 -1.186 -14.513 0.864 1.00 0.00 H new ATOM 0 HA HIS A 8 0.032 -15.765 -0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.875 -14.127 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.485 -15.634 1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.190 -16.891 -0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.946 -15.064 -4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.617 -16.666 -3.084 1.00 0.00 H new ATOM 63 N ASP A 9 1.324 -18.020 0.527 1.00 0.00 N ATOM 64 CA ASP A 9 1.451 -19.379 1.042 1.00 0.00 C ATOM 65 C ASP A 9 1.753 -19.358 2.535 1.00 0.00 C ATOM 66 O ASP A 9 1.049 -19.979 3.331 1.00 0.00 O ATOM 67 CB ASP A 9 2.556 -20.126 0.292 1.00 0.00 C ATOM 68 CG ASP A 9 2.705 -21.563 0.745 1.00 0.00 C ATOM 69 OD1 ASP A 9 3.416 -21.811 1.737 1.00 0.00 O ATOM 70 OD2 ASP A 9 2.124 -22.456 0.093 1.00 0.00 O ATOM 0 H ASP A 9 1.977 -17.791 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 9 0.505 -19.898 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.340 -20.107 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.502 -19.605 0.435 1.00 0.00 H new ATOM 75 N ASN A 10 2.799 -18.636 2.905 1.00 0.00 N ATOM 76 CA ASN A 10 3.167 -18.481 4.306 1.00 0.00 C ATOM 77 C ASN A 10 3.688 -17.075 4.563 1.00 0.00 C ATOM 78 O ASN A 10 3.239 -16.389 5.480 1.00 0.00 O ATOM 79 CB ASN A 10 4.236 -19.504 4.704 1.00 0.00 C ATOM 80 CG ASN A 10 4.643 -19.379 6.162 1.00 0.00 C ATOM 81 OD1 ASN A 10 3.833 -19.034 7.022 1.00 0.00 O ATOM 82 ND2 ASN A 10 5.908 -19.643 6.450 1.00 0.00 N ATOM 0 H ASN A 10 3.411 -18.146 2.253 1.00 0.00 H new ATOM 0 HA ASN A 10 2.275 -18.651 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.859 -20.510 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.114 -19.372 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.240 -19.563 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.551 -19.926 5.711 1.00 0.00 H new ATOM 89 N ALA A 11 4.635 -16.649 3.740 1.00 0.00 N ATOM 90 CA ALA A 11 5.260 -15.349 3.912 1.00 0.00 C ATOM 91 C ALA A 11 5.085 -14.492 2.667 1.00 0.00 C ATOM 92 O ALA A 11 5.340 -14.940 1.546 1.00 0.00 O ATOM 93 CB ALA A 11 6.738 -15.515 4.238 1.00 0.00 C ATOM 0 H ALA A 11 4.986 -17.186 2.947 1.00 0.00 H new ATOM 0 HA ALA A 11 4.770 -14.842 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.195 -14.534 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.845 -16.087 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.233 -16.044 3.423 1.00 0.00 H new ATOM 99 N ASN A 12 4.642 -13.262 2.870 1.00 0.00 N ATOM 100 CA ASN A 12 4.475 -12.320 1.777 1.00 0.00 C ATOM 101 C ASN A 12 5.496 -11.196 1.899 1.00 0.00 C ATOM 102 O ASN A 12 5.850 -10.559 0.909 1.00 0.00 O ATOM 103 CB ASN A 12 3.053 -11.734 1.761 1.00 0.00 C ATOM 104 CG ASN A 12 2.780 -10.786 2.920 1.00 0.00 C ATOM 105 OD1 ASN A 12 2.363 -11.204 3.996 1.00 0.00 O ATOM 106 ND2 ASN A 12 2.996 -9.499 2.701 1.00 0.00 N ATOM 0 H ASN A 12 4.391 -12.892 3.787 1.00 0.00 H new ATOM 0 HA ASN A 12 4.634 -12.855 0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.897 -11.203 0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.331 -12.550 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.815 -8.819 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.343 -9.187 1.794 1.00 0.00 H new ATOM 113 N GLY A 13 5.959 -10.959 3.125 1.00 0.00 N ATOM 114 CA GLY A 13 6.912 -9.896 3.378 1.00 0.00 C ATOM 115 C GLY A 13 6.252 -8.535 3.360 1.00 0.00 C ATOM 116 O GLY A 13 6.072 -7.904 4.401 1.00 0.00 O ATOM 0 H GLY A 13 5.687 -11.490 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.388 -10.057 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.700 -9.928 2.626 1.00 0.00 H new ATOM 120 N GLY A 14 5.888 -8.093 2.172 1.00 0.00 N ATOM 121 CA GLY A 14 5.173 -6.846 2.015 1.00 0.00 C ATOM 122 C GLY A 14 4.156 -6.951 0.906 1.00 0.00 C ATOM 123 O GLY A 14 2.989 -6.593 1.073 1.00 0.00 O ATOM 0 H GLY A 14 6.078 -8.584 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.675 -6.587 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.876 -6.043 1.795 1.00 0.00 H new ATOM 127 N GLN A 15 4.596 -7.480 -0.223 1.00 0.00 N ATOM 128 CA GLN A 15 3.729 -7.666 -1.373 1.00 0.00 C ATOM 129 C GLN A 15 3.198 -9.094 -1.417 1.00 0.00 C ATOM 130 O GLN A 15 3.937 -10.039 -1.693 1.00 0.00 O ATOM 131 CB GLN A 15 4.494 -7.343 -2.655 1.00 0.00 C ATOM 132 CG GLN A 15 3.709 -7.603 -3.932 1.00 0.00 C ATOM 133 CD GLN A 15 4.500 -7.245 -5.173 1.00 0.00 C ATOM 134 OE1 GLN A 15 5.728 -7.307 -5.177 1.00 0.00 O ATOM 135 NE2 GLN A 15 3.806 -6.881 -6.238 1.00 0.00 N ATOM 0 H GLN A 15 5.557 -7.790 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 15 2.879 -6.989 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.793 -6.295 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.409 -7.935 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.426 -8.655 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.785 -7.025 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.788 -6.842 -6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.289 -6.639 -7.103 1.00 0.00 H new ATOM 144 N ASN A 16 1.916 -9.248 -1.129 1.00 0.00 N ATOM 145 CA ASN A 16 1.274 -10.553 -1.191 1.00 0.00 C ATOM 146 C ASN A 16 0.716 -10.798 -2.590 1.00 0.00 C ATOM 147 O ASN A 16 1.060 -11.784 -3.239 1.00 0.00 O ATOM 148 CB ASN A 16 0.171 -10.658 -0.129 1.00 0.00 C ATOM 149 CG ASN A 16 -0.630 -11.942 -0.235 1.00 0.00 C ATOM 150 OD1 ASN A 16 -0.157 -12.943 -0.769 1.00 0.00 O ATOM 151 ND2 ASN A 16 -1.843 -11.929 0.298 1.00 0.00 N ATOM 0 H ASN A 16 1.298 -8.486 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 16 2.016 -11.323 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.621 -10.597 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.502 -9.806 -0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.420 -12.770 0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.200 -11.078 0.732 1.00 0.00 H new ATOM 158 N GLY A 17 -0.128 -9.889 -3.055 1.00 0.00 N ATOM 159 CA GLY A 17 -0.693 -10.012 -4.387 1.00 0.00 C ATOM 160 C GLY A 17 -1.879 -9.097 -4.578 1.00 0.00 C ATOM 161 O GLY A 17 -2.086 -8.545 -5.660 1.00 0.00 O ATOM 0 H GLY A 17 -0.433 -9.067 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.070 -9.778 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.998 -11.044 -4.559 1.00 0.00 H new ATOM 165 N THR A 18 -2.657 -8.942 -3.520 1.00 0.00 N ATOM 166 CA THR A 18 -3.794 -8.040 -3.514 1.00 0.00 C ATOM 167 C THR A 18 -3.331 -6.592 -3.629 1.00 0.00 C ATOM 168 O THR A 18 -2.455 -6.151 -2.886 1.00 0.00 O ATOM 169 CB THR A 18 -4.599 -8.224 -2.216 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.985 -9.598 -2.088 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.836 -7.335 -2.187 1.00 0.00 C ATOM 0 H THR A 18 -2.517 -9.439 -2.640 1.00 0.00 H new ATOM 0 HA THR A 18 -4.426 -8.274 -4.371 1.00 0.00 H new ATOM 0 HB THR A 18 -3.964 -7.933 -1.379 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.856 -9.735 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.377 -7.495 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.535 -6.290 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.483 -7.584 -3.029 1.00 0.00 H new ATOM 179 N VAL A 19 -3.899 -5.863 -4.574 1.00 0.00 N ATOM 180 CA VAL A 19 -3.549 -4.468 -4.764 1.00 0.00 C ATOM 181 C VAL A 19 -4.810 -3.616 -4.872 1.00 0.00 C ATOM 182 O VAL A 19 -5.797 -4.021 -5.490 1.00 0.00 O ATOM 183 CB VAL A 19 -2.658 -4.272 -6.016 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.370 -4.745 -7.275 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.228 -2.817 -6.155 1.00 0.00 C ATOM 0 H VAL A 19 -4.604 -6.215 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.976 -4.146 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.763 -4.881 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.721 -4.595 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.610 -5.804 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.289 -4.175 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.603 -2.705 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.110 -2.184 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.662 -2.519 -5.272 1.00 0.00 H new ATOM 195 N GLN A 20 -4.788 -2.455 -4.240 1.00 0.00 N ATOM 196 CA GLN A 20 -5.915 -1.542 -4.292 1.00 0.00 C ATOM 197 C GLN A 20 -5.453 -0.186 -4.802 1.00 0.00 C ATOM 198 O GLN A 20 -4.400 0.306 -4.391 1.00 0.00 O ATOM 199 CB GLN A 20 -6.545 -1.397 -2.907 1.00 0.00 C ATOM 200 CG GLN A 20 -8.036 -1.141 -2.952 1.00 0.00 C ATOM 201 CD GLN A 20 -8.618 -0.821 -1.591 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.667 0.335 -1.183 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.080 -1.840 -0.884 1.00 0.00 N ATOM 0 H GLN A 20 -4.000 -2.123 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.665 -1.943 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.356 -2.304 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.058 -0.578 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.238 -0.313 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.538 -2.018 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.022 -2.788 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.494 -1.678 0.034 1.00 0.00 H new ATOM 212 N GLU A 21 -6.219 0.402 -5.708 1.00 0.00 N ATOM 213 CA GLU A 21 -5.862 1.690 -6.282 1.00 0.00 C ATOM 214 C GLU A 21 -6.697 2.819 -5.709 1.00 0.00 C ATOM 215 O GLU A 21 -7.930 2.774 -5.720 1.00 0.00 O ATOM 216 CB GLU A 21 -6.001 1.669 -7.802 1.00 0.00 C ATOM 217 CG GLU A 21 -4.868 0.941 -8.486 1.00 0.00 C ATOM 218 CD GLU A 21 -5.000 0.917 -9.989 1.00 0.00 C ATOM 219 OE1 GLU A 21 -6.045 0.457 -10.494 1.00 0.00 O ATOM 220 OE2 GLU A 21 -4.052 1.351 -10.674 1.00 0.00 O ATOM 0 H GLU A 21 -7.091 0.008 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.820 1.872 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.945 1.194 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.044 2.693 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.925 1.416 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.826 -0.083 -8.115 1.00 0.00 H new ATOM 227 N ILE A 22 -6.008 3.822 -5.200 1.00 0.00 N ATOM 228 CA ILE A 22 -6.653 5.025 -4.714 1.00 0.00 C ATOM 229 C ILE A 22 -6.318 6.181 -5.647 1.00 0.00 C ATOM 230 O ILE A 22 -5.229 6.219 -6.218 1.00 0.00 O ATOM 231 CB ILE A 22 -6.192 5.390 -3.283 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.136 4.143 -2.391 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.126 6.428 -2.674 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.478 3.472 -2.186 1.00 0.00 C ATOM 0 H ILE A 22 -4.992 3.826 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.727 4.841 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.189 5.811 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.445 3.424 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.728 4.422 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.789 6.675 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.121 7.328 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.138 6.025 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.354 2.599 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.167 4.173 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.880 3.160 -3.150 1.00 0.00 H new ATOM 246 N MET A 23 -7.252 7.099 -5.815 1.00 0.00 N ATOM 247 CA MET A 23 -7.022 8.301 -6.593 1.00 0.00 C ATOM 248 C MET A 23 -6.742 9.445 -5.642 1.00 0.00 C ATOM 249 O MET A 23 -7.667 10.070 -5.124 1.00 0.00 O ATOM 250 CB MET A 23 -8.247 8.633 -7.444 1.00 0.00 C ATOM 251 CG MET A 23 -8.672 7.533 -8.407 1.00 0.00 C ATOM 252 SD MET A 23 -7.740 7.523 -9.961 1.00 0.00 S ATOM 253 CE MET A 23 -6.202 6.735 -9.478 1.00 0.00 C ATOM 0 H MET A 23 -8.189 7.032 -5.417 1.00 0.00 H new ATOM 0 HA MET A 23 -6.173 8.143 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.082 8.859 -6.781 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.040 9.538 -8.016 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.553 6.567 -7.916 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.733 7.648 -8.631 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.915 6.004 -10.233 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.420 7.489 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.336 6.233 -8.520 1.00 0.00 H new ATOM 263 N ILE A 24 -5.474 9.688 -5.376 1.00 0.00 N ATOM 264 CA ILE A 24 -5.093 10.723 -4.434 1.00 0.00 C ATOM 265 C ILE A 24 -5.168 12.092 -5.091 1.00 0.00 C ATOM 266 O ILE A 24 -4.593 12.303 -6.158 1.00 0.00 O ATOM 267 CB ILE A 24 -3.667 10.501 -3.885 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.514 9.077 -3.340 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.351 11.527 -2.804 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.540 8.717 -2.290 1.00 0.00 C ATOM 0 H ILE A 24 -4.692 9.185 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.794 10.674 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.957 10.630 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.589 8.371 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.517 8.965 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.343 11.358 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.418 12.531 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.066 11.427 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.370 7.695 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.451 9.400 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.540 8.796 -2.716 1.00 0.00 H new ATOM 282 N PRO A 25 -5.907 13.024 -4.476 1.00 0.00 N ATOM 283 CA PRO A 25 -5.992 14.404 -4.947 1.00 0.00 C ATOM 284 C PRO A 25 -4.610 15.021 -5.139 1.00 0.00 C ATOM 285 O PRO A 25 -3.730 14.880 -4.287 1.00 0.00 O ATOM 286 CB PRO A 25 -6.742 15.117 -3.822 1.00 0.00 C ATOM 287 CG PRO A 25 -7.553 14.054 -3.175 1.00 0.00 C ATOM 288 CD PRO A 25 -6.741 12.795 -3.284 1.00 0.00 C ATOM 0 HA PRO A 25 -6.484 14.481 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.051 15.574 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.374 15.915 -4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.757 14.298 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.517 13.941 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.133 12.632 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.376 11.917 -3.401 1.00 0.00 H new ATOM 296 N ALA A 26 -4.429 15.695 -6.269 1.00 0.00 N ATOM 297 CA ALA A 26 -3.152 16.304 -6.626 1.00 0.00 C ATOM 298 C ALA A 26 -2.688 17.314 -5.580 1.00 0.00 C ATOM 299 O ALA A 26 -1.493 17.577 -5.450 1.00 0.00 O ATOM 300 CB ALA A 26 -3.250 16.967 -7.992 1.00 0.00 C ATOM 0 H ALA A 26 -5.163 15.835 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.408 15.508 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.291 17.418 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.511 16.220 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.019 17.739 -7.967 1.00 0.00 H new ATOM 306 N GLY A 27 -3.634 17.878 -4.839 1.00 0.00 N ATOM 307 CA GLY A 27 -3.294 18.819 -3.790 1.00 0.00 C ATOM 308 C GLY A 27 -3.052 18.142 -2.454 1.00 0.00 C ATOM 309 O GLY A 27 -2.630 18.787 -1.491 1.00 0.00 O ATOM 0 H GLY A 27 -4.633 17.700 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.401 19.373 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.099 19.546 -3.684 1.00 0.00 H new ATOM 313 N LYS A 28 -3.307 16.841 -2.396 1.00 0.00 N ATOM 314 CA LYS A 28 -3.135 16.080 -1.164 1.00 0.00 C ATOM 315 C LYS A 28 -2.043 15.026 -1.310 1.00 0.00 C ATOM 316 O LYS A 28 -1.879 14.164 -0.444 1.00 0.00 O ATOM 317 CB LYS A 28 -4.449 15.412 -0.751 1.00 0.00 C ATOM 318 CG LYS A 28 -5.408 16.334 -0.017 1.00 0.00 C ATOM 319 CD LYS A 28 -6.654 15.595 0.427 1.00 0.00 C ATOM 320 CE LYS A 28 -7.476 16.404 1.420 1.00 0.00 C ATOM 321 NZ LYS A 28 -8.006 17.660 0.829 1.00 0.00 N ATOM 0 H LYS A 28 -3.634 16.289 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.834 16.782 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.944 15.025 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.225 14.556 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.909 16.764 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.687 17.163 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.266 15.361 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.370 14.646 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.307 15.797 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.859 16.645 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.572 18.166 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.214 18.262 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.603 17.433 0.008 1.00 0.00 H new ATOM 335 N ALA A 29 -1.289 15.102 -2.397 1.00 0.00 N ATOM 336 CA ALA A 29 -0.204 14.159 -2.639 1.00 0.00 C ATOM 337 C ALA A 29 0.919 14.383 -1.636 1.00 0.00 C ATOM 338 O ALA A 29 1.628 13.453 -1.255 1.00 0.00 O ATOM 339 CB ALA A 29 0.309 14.288 -4.065 1.00 0.00 C ATOM 0 H ALA A 29 -1.407 15.806 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.585 13.146 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.118 13.576 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.502 14.080 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.678 15.300 -4.229 1.00 0.00 H new ATOM 345 N GLY A 30 1.059 15.623 -1.193 1.00 0.00 N ATOM 346 CA GLY A 30 2.046 15.949 -0.186 1.00 0.00 C ATOM 347 C GLY A 30 1.690 15.379 1.173 1.00 0.00 C ATOM 348 O GLY A 30 2.546 15.263 2.045 1.00 0.00 O ATOM 0 H GLY A 30 0.502 16.414 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.018 15.565 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.140 17.032 -0.110 1.00 0.00 H new ATOM 352 N LEU A 31 0.426 15.012 1.350 1.00 0.00 N ATOM 353 CA LEU A 31 -0.031 14.456 2.617 1.00 0.00 C ATOM 354 C LEU A 31 0.271 12.966 2.691 1.00 0.00 C ATOM 355 O LEU A 31 0.739 12.473 3.716 1.00 0.00 O ATOM 356 CB LEU A 31 -1.529 14.696 2.807 1.00 0.00 C ATOM 357 CG LEU A 31 -1.946 16.165 2.890 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.445 16.277 3.115 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.183 16.874 4.000 1.00 0.00 C ATOM 0 H LEU A 31 -0.298 15.089 0.635 1.00 0.00 H new ATOM 0 HA LEU A 31 0.507 14.963 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.064 14.229 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.849 14.192 3.719 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.702 16.649 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.727 17.328 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.973 15.804 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.711 15.779 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.492 17.918 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.396 16.391 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.113 16.821 3.798 1.00 0.00 H new ATOM 371 N VAL A 32 0.012 12.257 1.596 1.00 0.00 N ATOM 372 CA VAL A 32 0.285 10.823 1.532 1.00 0.00 C ATOM 373 C VAL A 32 1.785 10.547 1.537 1.00 0.00 C ATOM 374 O VAL A 32 2.239 9.544 2.084 1.00 0.00 O ATOM 375 CB VAL A 32 -0.363 10.154 0.298 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.825 9.840 0.563 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.240 11.038 -0.925 1.00 0.00 C ATOM 0 H VAL A 32 -0.385 12.650 0.743 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.163 10.386 2.424 1.00 0.00 H new ATOM 0 HB VAL A 32 0.169 9.222 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.262 9.370 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.903 9.162 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.361 10.763 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.704 10.544 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.741 11.988 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.813 11.219 -1.139 1.00 0.00 H new ATOM 387 N ILE A 33 2.551 11.446 0.935 1.00 0.00 N ATOM 388 CA ILE A 33 4.001 11.335 0.961 1.00 0.00 C ATOM 389 C ILE A 33 4.528 11.801 2.314 1.00 0.00 C ATOM 390 O ILE A 33 5.427 11.193 2.900 1.00 0.00 O ATOM 391 CB ILE A 33 4.654 12.170 -0.162 1.00 0.00 C ATOM 392 CG1 ILE A 33 4.179 11.684 -1.532 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.174 12.108 -0.072 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.644 12.556 -2.679 1.00 0.00 C ATOM 0 H ILE A 33 2.195 12.255 0.426 1.00 0.00 H new ATOM 0 HA ILE A 33 4.260 10.289 0.800 1.00 0.00 H new ATOM 0 HB ILE A 33 4.349 13.209 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.537 10.667 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.090 11.643 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.611 12.704 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.498 12.503 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.502 11.073 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.270 12.151 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.264 13.569 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.734 12.577 -2.701 1.00 0.00 H new ATOM 406 N GLY A 34 3.937 12.874 2.813 1.00 0.00 N ATOM 407 CA GLY A 34 4.347 13.430 4.079 1.00 0.00 C ATOM 408 C GLY A 34 5.187 14.665 3.895 1.00 0.00 C ATOM 409 O GLY A 34 5.700 14.913 2.802 1.00 0.00 O ATOM 0 H GLY A 34 3.173 13.373 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.466 13.674 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.912 12.685 4.639 1.00 0.00 H new ATOM 413 N LYS A 35 5.354 15.432 4.959 1.00 0.00 N ATOM 414 CA LYS A 35 6.124 16.667 4.901 1.00 0.00 C ATOM 415 C LYS A 35 7.622 16.376 4.947 1.00 0.00 C ATOM 416 O LYS A 35 8.349 16.901 5.794 1.00 0.00 O ATOM 417 CB LYS A 35 5.735 17.606 6.044 1.00 0.00 C ATOM 418 CG LYS A 35 4.434 18.368 5.824 1.00 0.00 C ATOM 419 CD LYS A 35 3.206 17.489 5.955 1.00 0.00 C ATOM 420 CE LYS A 35 1.933 18.278 5.693 1.00 0.00 C ATOM 421 NZ LYS A 35 1.816 19.458 6.593 1.00 0.00 N ATOM 0 H LYS A 35 4.965 15.221 5.878 1.00 0.00 H new ATOM 0 HA LYS A 35 5.895 17.158 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.649 17.024 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.540 18.325 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.370 19.183 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.447 18.820 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.273 16.659 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.170 17.057 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.919 18.610 4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.068 17.629 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.829 19.561 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.428 19.324 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.109 20.315 6.082 1.00 0.00 H new ATOM 435 N GLY A 36 8.072 15.530 4.035 1.00 0.00 N ATOM 436 CA GLY A 36 9.477 15.193 3.957 1.00 0.00 C ATOM 437 C GLY A 36 9.686 13.749 3.571 1.00 0.00 C ATOM 438 O GLY A 36 10.734 13.171 3.850 1.00 0.00 O ATOM 0 H GLY A 36 7.484 15.067 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.966 15.839 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.951 15.384 4.920 1.00 0.00 H new ATOM 442 N GLY A 37 8.671 13.159 2.943 1.00 0.00 N ATOM 443 CA GLY A 37 8.739 11.761 2.561 1.00 0.00 C ATOM 444 C GLY A 37 8.643 10.830 3.757 1.00 0.00 C ATOM 445 O GLY A 37 8.651 9.609 3.605 1.00 0.00 O ATOM 0 H GLY A 37 7.801 13.628 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.931 11.538 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.675 11.576 2.034 1.00 0.00 H new ATOM 449 N GLU A 38 8.528 11.413 4.947 1.00 0.00 N ATOM 450 CA GLU A 38 8.522 10.645 6.183 1.00 0.00 C ATOM 451 C GLU A 38 7.302 9.733 6.262 1.00 0.00 C ATOM 452 O GLU A 38 7.396 8.597 6.724 1.00 0.00 O ATOM 453 CB GLU A 38 8.562 11.578 7.400 1.00 0.00 C ATOM 454 CG GLU A 38 7.347 12.487 7.528 1.00 0.00 C ATOM 455 CD GLU A 38 7.324 13.263 8.830 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.555 12.651 9.894 1.00 0.00 O ATOM 457 OE2 GLU A 38 7.050 14.485 8.795 1.00 0.00 O ATOM 0 H GLU A 38 8.437 12.420 5.079 1.00 0.00 H new ATOM 0 HA GLU A 38 9.415 10.020 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.648 10.975 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.459 12.195 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.335 13.188 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.441 11.886 7.453 1.00 0.00 H new ATOM 464 N THR A 39 6.167 10.227 5.783 1.00 0.00 N ATOM 465 CA THR A 39 4.917 9.502 5.895 1.00 0.00 C ATOM 466 C THR A 39 4.906 8.271 4.996 1.00 0.00 C ATOM 467 O THR A 39 4.725 7.161 5.477 1.00 0.00 O ATOM 468 CB THR A 39 3.716 10.409 5.568 1.00 0.00 C ATOM 469 OG1 THR A 39 3.745 11.568 6.415 1.00 0.00 O ATOM 470 CG2 THR A 39 2.401 9.671 5.768 1.00 0.00 C ATOM 0 H THR A 39 6.091 11.129 5.313 1.00 0.00 H new ATOM 0 HA THR A 39 4.828 9.171 6.930 1.00 0.00 H new ATOM 0 HB THR A 39 3.788 10.708 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.982 12.146 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.571 10.336 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.369 8.801 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.320 9.347 6.805 1.00 0.00 H new ATOM 478 N ILE A 40 5.141 8.454 3.707 1.00 0.00 N ATOM 479 CA ILE A 40 5.093 7.328 2.771 1.00 0.00 C ATOM 480 C ILE A 40 6.153 6.275 3.122 1.00 0.00 C ATOM 481 O ILE A 40 6.000 5.088 2.833 1.00 0.00 O ATOM 482 CB ILE A 40 5.264 7.801 1.310 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.162 6.620 0.337 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.588 8.533 1.132 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.275 7.012 -1.124 1.00 0.00 C ATOM 0 H ILE A 40 5.364 9.355 3.283 1.00 0.00 H new ATOM 0 HA ILE A 40 4.109 6.869 2.863 1.00 0.00 H new ATOM 0 HB ILE A 40 4.456 8.497 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.947 5.901 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.209 6.114 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.688 8.857 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.614 9.403 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.411 7.864 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.193 6.121 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.474 7.707 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.239 7.490 -1.299 1.00 0.00 H new ATOM 497 N LYS A 41 7.207 6.717 3.787 1.00 0.00 N ATOM 498 CA LYS A 41 8.283 5.834 4.211 1.00 0.00 C ATOM 499 C LYS A 41 7.826 4.935 5.357 1.00 0.00 C ATOM 500 O LYS A 41 8.035 3.721 5.336 1.00 0.00 O ATOM 501 CB LYS A 41 9.471 6.675 4.658 1.00 0.00 C ATOM 502 CG LYS A 41 10.658 5.870 5.143 1.00 0.00 C ATOM 503 CD LYS A 41 11.749 6.784 5.670 1.00 0.00 C ATOM 504 CE LYS A 41 11.288 7.569 6.891 1.00 0.00 C ATOM 505 NZ LYS A 41 12.306 8.555 7.338 1.00 0.00 N ATOM 0 H LYS A 41 7.342 7.694 4.048 1.00 0.00 H new ATOM 0 HA LYS A 41 8.571 5.199 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.789 7.304 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.148 7.342 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.341 5.184 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.049 5.262 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.626 6.191 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.053 7.477 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.359 8.088 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.071 6.878 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.951 9.067 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.185 8.058 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.495 9.231 6.571 1.00 0.00 H new ATOM 519 N GLN A 42 7.190 5.543 6.351 1.00 0.00 N ATOM 520 CA GLN A 42 6.749 4.823 7.536 1.00 0.00 C ATOM 521 C GLN A 42 5.564 3.929 7.223 1.00 0.00 C ATOM 522 O GLN A 42 5.497 2.794 7.691 1.00 0.00 O ATOM 523 CB GLN A 42 6.382 5.805 8.652 1.00 0.00 C ATOM 524 CG GLN A 42 5.413 6.892 8.235 1.00 0.00 C ATOM 525 CD GLN A 42 5.057 7.841 9.359 1.00 0.00 C ATOM 526 OE1 GLN A 42 5.855 8.090 10.263 1.00 0.00 O ATOM 527 NE2 GLN A 42 3.854 8.387 9.298 1.00 0.00 N ATOM 0 H GLN A 42 6.968 6.538 6.358 1.00 0.00 H new ATOM 0 HA GLN A 42 7.574 4.194 7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.948 5.247 9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.294 6.271 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.848 7.461 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.501 6.430 7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.225 8.151 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.555 9.044 10.019 1.00 0.00 H new ATOM 536 N LEU A 43 4.646 4.449 6.422 1.00 0.00 N ATOM 537 CA LEU A 43 3.416 3.735 6.078 1.00 0.00 C ATOM 538 C LEU A 43 3.703 2.328 5.577 1.00 0.00 C ATOM 539 O LEU A 43 3.096 1.359 6.037 1.00 0.00 O ATOM 540 CB LEU A 43 2.624 4.490 5.015 1.00 0.00 C ATOM 541 CG LEU A 43 2.215 5.914 5.384 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.296 6.491 4.329 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.549 5.948 6.751 1.00 0.00 C ATOM 0 H LEU A 43 4.727 5.371 5.993 1.00 0.00 H new ATOM 0 HA LEU A 43 2.826 3.668 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.219 4.527 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.723 3.920 4.786 1.00 0.00 H new ATOM 0 HG LEU A 43 3.115 6.527 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.014 7.506 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.811 6.508 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.400 5.875 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.266 6.973 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.659 5.319 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.244 5.576 7.504 1.00 0.00 H new ATOM 555 N GLN A 44 4.641 2.223 4.648 1.00 0.00 N ATOM 556 CA GLN A 44 4.993 0.945 4.046 1.00 0.00 C ATOM 557 C GLN A 44 5.446 -0.059 5.103 1.00 0.00 C ATOM 558 O GLN A 44 5.057 -1.228 5.074 1.00 0.00 O ATOM 559 CB GLN A 44 6.097 1.147 3.011 1.00 0.00 C ATOM 560 CG GLN A 44 5.681 2.029 1.847 1.00 0.00 C ATOM 561 CD GLN A 44 6.820 2.295 0.885 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.050 1.533 -0.056 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.529 3.389 1.106 1.00 0.00 N ATOM 0 H GLN A 44 5.177 3.015 4.292 1.00 0.00 H new ATOM 0 HA GLN A 44 4.105 0.543 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.966 1.589 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.407 0.175 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.860 1.554 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.304 2.977 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.304 3.992 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.301 3.630 0.485 1.00 0.00 H new ATOM 572 N GLU A 45 6.244 0.404 6.049 1.00 0.00 N ATOM 573 CA GLU A 45 6.838 -0.482 7.038 1.00 0.00 C ATOM 574 C GLU A 45 5.861 -0.799 8.172 1.00 0.00 C ATOM 575 O GLU A 45 5.845 -1.916 8.691 1.00 0.00 O ATOM 576 CB GLU A 45 8.119 0.140 7.593 1.00 0.00 C ATOM 577 CG GLU A 45 9.116 0.536 6.512 1.00 0.00 C ATOM 578 CD GLU A 45 9.544 -0.632 5.644 1.00 0.00 C ATOM 579 OE1 GLU A 45 8.823 -0.956 4.675 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.605 -1.227 5.926 1.00 0.00 O ATOM 0 H GLU A 45 6.496 1.387 6.154 1.00 0.00 H new ATOM 0 HA GLU A 45 7.081 -1.423 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.861 1.022 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.593 -0.568 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.673 1.307 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.997 0.975 6.981 1.00 0.00 H new ATOM 587 N ARG A 46 5.034 0.176 8.538 1.00 0.00 N ATOM 588 CA ARG A 46 4.118 0.017 9.669 1.00 0.00 C ATOM 589 C ARG A 46 2.886 -0.800 9.293 1.00 0.00 C ATOM 590 O ARG A 46 2.230 -1.381 10.158 1.00 0.00 O ATOM 591 CB ARG A 46 3.687 1.385 10.208 1.00 0.00 C ATOM 592 CG ARG A 46 2.905 2.218 9.208 1.00 0.00 C ATOM 593 CD ARG A 46 2.592 3.600 9.756 1.00 0.00 C ATOM 594 NE ARG A 46 1.643 3.562 10.868 1.00 0.00 N ATOM 595 CZ ARG A 46 1.597 4.483 11.830 1.00 0.00 C ATOM 596 NH1 ARG A 46 2.542 5.408 11.909 1.00 0.00 N ATOM 597 NH2 ARG A 46 0.632 4.457 12.741 1.00 0.00 N ATOM 0 H ARG A 46 4.977 1.082 8.072 1.00 0.00 H new ATOM 0 HA ARG A 46 4.657 -0.525 10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.078 1.238 11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.573 1.940 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.478 2.313 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.976 1.707 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.516 4.073 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.185 4.220 8.957 1.00 0.00 H new ATOM 0 HE ARG A 46 0.980 2.788 10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.306 5.416 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.506 6.112 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.081 3.729 12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.604 5.165 13.474 1.00 0.00 H new ATOM 611 N ALA A 47 2.558 -0.833 8.011 1.00 0.00 N ATOM 612 CA ALA A 47 1.399 -1.588 7.554 1.00 0.00 C ATOM 613 C ALA A 47 1.793 -2.986 7.094 1.00 0.00 C ATOM 614 O ALA A 47 0.980 -3.909 7.110 1.00 0.00 O ATOM 615 CB ALA A 47 0.681 -0.847 6.438 1.00 0.00 C ATOM 0 H ALA A 47 3.072 -0.351 7.273 1.00 0.00 H new ATOM 0 HA ALA A 47 0.718 -1.691 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.181 -1.428 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.347 0.124 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.362 -0.705 5.599 1.00 0.00 H new ATOM 621 N GLY A 48 3.051 -3.139 6.695 1.00 0.00 N ATOM 622 CA GLY A 48 3.527 -4.420 6.210 1.00 0.00 C ATOM 623 C GLY A 48 3.165 -4.649 4.758 1.00 0.00 C ATOM 624 O GLY A 48 3.088 -5.785 4.298 1.00 0.00 O ATOM 0 H GLY A 48 3.750 -2.397 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.610 -4.472 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.103 -5.218 6.819 1.00 0.00 H new ATOM 628 N VAL A 49 2.945 -3.559 4.038 1.00 0.00 N ATOM 629 CA VAL A 49 2.569 -3.622 2.633 1.00 0.00 C ATOM 630 C VAL A 49 3.450 -2.698 1.813 1.00 0.00 C ATOM 631 O VAL A 49 4.321 -2.013 2.352 1.00 0.00 O ATOM 632 CB VAL A 49 1.096 -3.217 2.413 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.159 -4.251 3.003 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.819 -1.842 3.003 1.00 0.00 C ATOM 0 H VAL A 49 3.021 -2.612 4.408 1.00 0.00 H new ATOM 0 HA VAL A 49 2.700 -4.656 2.314 1.00 0.00 H new ATOM 0 HB VAL A 49 0.916 -3.169 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.873 -3.944 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.333 -5.215 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.342 -4.339 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.225 -1.578 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.022 -1.858 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.461 -1.104 2.523 1.00 0.00 H new ATOM 644 N LYS A 50 3.223 -2.679 0.513 1.00 0.00 N ATOM 645 CA LYS A 50 3.945 -1.775 -0.365 1.00 0.00 C ATOM 646 C LYS A 50 3.009 -0.692 -0.881 1.00 0.00 C ATOM 647 O LYS A 50 1.965 -0.988 -1.459 1.00 0.00 O ATOM 648 CB LYS A 50 4.564 -2.533 -1.543 1.00 0.00 C ATOM 649 CG LYS A 50 5.419 -1.650 -2.438 1.00 0.00 C ATOM 650 CD LYS A 50 5.925 -2.400 -3.658 1.00 0.00 C ATOM 651 CE LYS A 50 6.838 -1.527 -4.506 1.00 0.00 C ATOM 652 NZ LYS A 50 7.282 -2.222 -5.741 1.00 0.00 N ATOM 0 H LYS A 50 2.545 -3.278 0.041 1.00 0.00 H new ATOM 0 HA LYS A 50 4.750 -1.314 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.174 -3.351 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.768 -2.980 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.837 -0.786 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.267 -1.269 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.464 -3.293 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.079 -2.735 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.315 -0.609 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.710 -1.237 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.902 -1.593 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.803 -3.085 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.452 -2.476 -6.314 1.00 0.00 H new ATOM 666 N MET A 51 3.382 0.560 -0.666 1.00 0.00 N ATOM 667 CA MET A 51 2.587 1.684 -1.137 1.00 0.00 C ATOM 668 C MET A 51 3.351 2.432 -2.210 1.00 0.00 C ATOM 669 O MET A 51 4.418 2.986 -1.946 1.00 0.00 O ATOM 670 CB MET A 51 2.241 2.651 0.005 1.00 0.00 C ATOM 671 CG MET A 51 1.471 2.015 1.147 1.00 0.00 C ATOM 672 SD MET A 51 1.003 3.222 2.400 1.00 0.00 S ATOM 673 CE MET A 51 0.292 2.162 3.653 1.00 0.00 C ATOM 0 H MET A 51 4.232 0.824 -0.167 1.00 0.00 H new ATOM 0 HA MET A 51 1.656 1.288 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.164 3.077 0.397 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.655 3.477 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.575 1.532 0.756 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.079 1.235 1.604 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.632 2.606 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.077 1.184 3.223 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.997 2.049 4.477 1.00 0.00 H new ATOM 683 N ILE A 52 2.822 2.439 -3.419 1.00 0.00 N ATOM 684 CA ILE A 52 3.458 3.163 -4.500 1.00 0.00 C ATOM 685 C ILE A 52 2.622 4.378 -4.901 1.00 0.00 C ATOM 686 O ILE A 52 1.552 4.257 -5.500 1.00 0.00 O ATOM 687 CB ILE A 52 3.740 2.255 -5.725 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.339 3.075 -6.870 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.480 1.530 -6.178 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.734 2.248 -8.075 1.00 0.00 C ATOM 0 H ILE A 52 1.961 1.956 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 52 4.423 3.512 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 52 4.465 1.498 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.616 3.829 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.217 3.607 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.711 0.902 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.106 0.908 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.720 2.260 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.150 2.900 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.481 1.511 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.856 1.737 -8.469 1.00 0.00 H new ATOM 702 N LEU A 53 3.101 5.548 -4.512 1.00 0.00 N ATOM 703 CA LEU A 53 2.482 6.802 -4.905 1.00 0.00 C ATOM 704 C LEU A 53 3.033 7.235 -6.257 1.00 0.00 C ATOM 705 O LEU A 53 4.164 7.724 -6.345 1.00 0.00 O ATOM 706 CB LEU A 53 2.757 7.888 -3.849 1.00 0.00 C ATOM 707 CG LEU A 53 1.751 7.983 -2.691 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.336 8.161 -3.218 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.841 6.761 -1.790 1.00 0.00 C ATOM 0 H LEU A 53 3.924 5.655 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 53 1.404 6.661 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.747 7.713 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.791 8.854 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 53 2.005 8.860 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.359 8.226 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.280 9.076 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.071 7.309 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.119 6.853 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.623 5.864 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.846 6.688 -1.375 1.00 0.00 H new ATOM 721 N ILE A 54 2.253 7.036 -7.314 1.00 0.00 N ATOM 722 CA ILE A 54 2.680 7.421 -8.646 1.00 0.00 C ATOM 723 C ILE A 54 2.462 8.913 -8.855 1.00 0.00 C ATOM 724 O ILE A 54 1.420 9.357 -9.335 1.00 0.00 O ATOM 725 CB ILE A 54 1.954 6.615 -9.745 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.162 5.112 -9.520 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.458 7.024 -11.126 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.495 4.240 -10.563 1.00 0.00 C ATOM 0 H ILE A 54 1.326 6.612 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 54 3.743 7.195 -8.727 1.00 0.00 H new ATOM 0 HB ILE A 54 0.887 6.831 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.231 4.900 -9.512 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.777 4.845 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.936 6.447 -11.889 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.269 8.086 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.529 6.832 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.687 3.191 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.420 4.422 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.897 4.478 -11.548 1.00 0.00 H new ATOM 740 N GLN A 55 3.456 9.675 -8.447 1.00 0.00 N ATOM 741 CA GLN A 55 3.465 11.114 -8.635 1.00 0.00 C ATOM 742 C GLN A 55 4.812 11.545 -9.195 1.00 0.00 C ATOM 743 O GLN A 55 4.982 12.668 -9.669 1.00 0.00 O ATOM 744 CB GLN A 55 3.157 11.827 -7.308 1.00 0.00 C ATOM 745 CG GLN A 55 3.860 11.231 -6.091 1.00 0.00 C ATOM 746 CD GLN A 55 5.351 11.508 -6.054 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.816 12.550 -6.519 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.110 10.570 -5.513 1.00 0.00 N ATOM 0 H GLN A 55 4.284 9.314 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 55 2.689 11.393 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.441 12.875 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.081 11.802 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.402 11.630 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.699 10.153 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.684 9.722 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.121 10.695 -5.469 1.00 0.00 H new ATOM 757 N ASP A 56 5.758 10.619 -9.148 1.00 0.00 N ATOM 758 CA ASP A 56 7.110 10.867 -9.614 1.00 0.00 C ATOM 759 C ASP A 56 7.302 10.276 -11.001 1.00 0.00 C ATOM 760 O ASP A 56 8.110 10.763 -11.791 1.00 0.00 O ATOM 761 CB ASP A 56 8.117 10.268 -8.629 1.00 0.00 C ATOM 762 CG ASP A 56 9.548 10.349 -9.119 1.00 0.00 C ATOM 763 OD1 ASP A 56 10.097 11.469 -9.179 1.00 0.00 O ATOM 764 OD2 ASP A 56 10.128 9.290 -9.440 1.00 0.00 O ATOM 0 H ASP A 56 5.608 9.677 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 56 7.277 11.943 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.036 10.788 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.860 9.225 -8.446 1.00 0.00 H new ATOM 769 N GLY A 57 6.522 9.244 -11.306 1.00 0.00 N ATOM 770 CA GLY A 57 6.615 8.600 -12.606 1.00 0.00 C ATOM 771 C GLY A 57 5.815 9.327 -13.672 1.00 0.00 C ATOM 772 O GLY A 57 5.551 8.773 -14.741 1.00 0.00 O ATOM 0 H GLY A 57 5.827 8.841 -10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.661 8.552 -12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.259 7.573 -12.526 1.00 0.00 H new ATOM 776 N SER A 58 5.451 10.576 -13.378 1.00 0.00 N ATOM 777 CA SER A 58 4.640 11.392 -14.276 1.00 0.00 C ATOM 778 C SER A 58 3.308 10.703 -14.568 1.00 0.00 C ATOM 779 O SER A 58 2.694 10.139 -13.658 1.00 0.00 O ATOM 780 CB SER A 58 5.405 11.672 -15.571 1.00 0.00 C ATOM 781 OG SER A 58 6.709 12.159 -15.298 1.00 0.00 O ATOM 0 H SER A 58 5.711 11.048 -12.512 1.00 0.00 H new ATOM 0 HA SER A 58 4.428 12.344 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.471 10.759 -16.163 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.859 12.401 -16.169 1.00 0.00 H new ATOM 0 HG SER A 58 7.178 12.329 -16.142 1.00 0.00 H new ATOM 787 N GLN A 59 2.865 10.771 -15.828 1.00 0.00 N ATOM 788 CA GLN A 59 1.624 10.139 -16.276 1.00 0.00 C ATOM 789 C GLN A 59 0.410 10.860 -15.706 1.00 0.00 C ATOM 790 O GLN A 59 -0.286 11.574 -16.426 1.00 0.00 O ATOM 791 CB GLN A 59 1.591 8.647 -15.924 1.00 0.00 C ATOM 792 CG GLN A 59 2.663 7.845 -16.629 1.00 0.00 C ATOM 793 CD GLN A 59 2.608 6.369 -16.297 1.00 0.00 C ATOM 794 OE1 GLN A 59 2.208 5.979 -15.203 1.00 0.00 O ATOM 795 NE2 GLN A 59 3.004 5.538 -17.245 1.00 0.00 N ATOM 0 H GLN A 59 3.361 11.269 -16.567 1.00 0.00 H new ATOM 0 HA GLN A 59 1.589 10.220 -17.362 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.709 8.532 -14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.613 8.241 -16.183 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.557 7.974 -17.706 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.642 8.238 -16.356 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.329 5.903 -18.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.984 4.531 -17.082 1.00 0.00 H new ATOM 804 N ASN A 60 0.170 10.699 -14.417 1.00 0.00 N ATOM 805 CA ASN A 60 -0.927 11.393 -13.758 1.00 0.00 C ATOM 806 C ASN A 60 -0.391 12.567 -12.957 1.00 0.00 C ATOM 807 O ASN A 60 -0.816 12.827 -11.832 1.00 0.00 O ATOM 808 CB ASN A 60 -1.720 10.453 -12.847 1.00 0.00 C ATOM 809 CG ASN A 60 -2.550 9.435 -13.608 1.00 0.00 C ATOM 810 OD1 ASN A 60 -2.187 8.998 -14.700 1.00 0.00 O ATOM 811 ND2 ASN A 60 -3.680 9.054 -13.031 1.00 0.00 N ATOM 0 H ASN A 60 0.718 10.095 -13.804 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.604 11.759 -14.529 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.028 9.928 -12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.378 11.045 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.285 8.375 -13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.945 9.440 -12.125 1.00 0.00 H new ATOM 818 N THR A 61 0.550 13.278 -13.553 1.00 0.00 N ATOM 819 CA THR A 61 1.165 14.428 -12.922 1.00 0.00 C ATOM 820 C THR A 61 0.191 15.599 -12.859 1.00 0.00 C ATOM 821 O THR A 61 0.279 16.449 -11.976 1.00 0.00 O ATOM 822 CB THR A 61 2.430 14.840 -13.690 1.00 0.00 C ATOM 823 OG1 THR A 61 2.596 13.985 -14.834 1.00 0.00 O ATOM 824 CG2 THR A 61 3.653 14.742 -12.797 1.00 0.00 C ATOM 0 H THR A 61 0.907 13.073 -14.486 1.00 0.00 H new ATOM 0 HA THR A 61 1.438 14.152 -11.904 1.00 0.00 H new ATOM 0 HB THR A 61 2.321 15.874 -14.016 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.402 14.249 -15.325 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.539 15.038 -13.359 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.531 15.403 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.769 13.715 -12.451 1.00 0.00 H new ATOM 832 N ASN A 62 -0.741 15.625 -13.799 1.00 0.00 N ATOM 833 CA ASN A 62 -1.747 16.681 -13.862 1.00 0.00 C ATOM 834 C ASN A 62 -3.033 16.285 -13.131 1.00 0.00 C ATOM 835 O ASN A 62 -3.765 17.141 -12.637 1.00 0.00 O ATOM 836 CB ASN A 62 -2.049 17.012 -15.329 1.00 0.00 C ATOM 837 CG ASN A 62 -3.153 18.038 -15.500 1.00 0.00 C ATOM 838 OD1 ASN A 62 -2.906 19.243 -15.456 1.00 0.00 O ATOM 839 ND2 ASN A 62 -4.373 17.572 -15.727 1.00 0.00 N ATOM 0 H ASN A 62 -0.824 14.923 -14.535 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.347 17.562 -13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.141 17.383 -15.804 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.330 16.097 -15.850 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.147 18.220 -15.873 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.537 16.566 -15.756 1.00 0.00 H new ATOM 846 N VAL A 63 -3.298 14.989 -13.050 1.00 0.00 N ATOM 847 CA VAL A 63 -4.559 14.506 -12.491 1.00 0.00 C ATOM 848 C VAL A 63 -4.360 13.783 -11.159 1.00 0.00 C ATOM 849 O VAL A 63 -3.340 13.965 -10.488 1.00 0.00 O ATOM 850 CB VAL A 63 -5.277 13.553 -13.465 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.705 14.286 -14.727 1.00 0.00 C ATOM 852 CG2 VAL A 63 -4.388 12.373 -13.808 1.00 0.00 C ATOM 0 H VAL A 63 -2.663 14.254 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.172 15.392 -12.324 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.174 13.178 -12.972 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.210 13.591 -15.398 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.386 15.096 -14.464 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.827 14.698 -15.224 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.912 11.711 -14.497 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.471 12.732 -14.276 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.141 11.827 -12.898 1.00 0.00 H new ATOM 862 N ASP A 64 -5.356 12.974 -10.791 1.00 0.00 N ATOM 863 CA ASP A 64 -5.320 12.191 -9.555 1.00 0.00 C ATOM 864 C ASP A 64 -4.124 11.254 -9.539 1.00 0.00 C ATOM 865 O ASP A 64 -3.635 10.835 -10.586 1.00 0.00 O ATOM 866 CB ASP A 64 -6.592 11.357 -9.393 1.00 0.00 C ATOM 867 CG ASP A 64 -7.850 12.194 -9.303 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.940 13.052 -8.402 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.757 11.996 -10.141 1.00 0.00 O ATOM 0 H ASP A 64 -6.206 12.844 -11.339 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.242 12.900 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.679 10.672 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.505 10.746 -8.494 1.00 0.00 H new ATOM 874 N LYS A 65 -3.683 10.896 -8.347 1.00 0.00 N ATOM 875 CA LYS A 65 -2.473 10.104 -8.194 1.00 0.00 C ATOM 876 C LYS A 65 -2.810 8.643 -7.994 1.00 0.00 C ATOM 877 O LYS A 65 -3.529 8.291 -7.060 1.00 0.00 O ATOM 878 CB LYS A 65 -1.653 10.603 -7.010 1.00 0.00 C ATOM 879 CG LYS A 65 -1.425 12.102 -7.038 1.00 0.00 C ATOM 880 CD LYS A 65 -0.718 12.528 -8.310 1.00 0.00 C ATOM 881 CE LYS A 65 -0.720 14.040 -8.454 1.00 0.00 C ATOM 882 NZ LYS A 65 -0.074 14.482 -9.716 1.00 0.00 N ATOM 0 H LYS A 65 -4.143 11.140 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.886 10.211 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.162 10.336 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.689 10.094 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.381 12.619 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.832 12.398 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.308 12.162 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.209 12.076 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.747 14.405 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.200 14.485 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.316 15.477 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.958 14.387 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.411 13.893 -10.504 1.00 0.00 H new ATOM 896 N PRO A 66 -2.310 7.782 -8.884 1.00 0.00 N ATOM 897 CA PRO A 66 -2.455 6.335 -8.755 1.00 0.00 C ATOM 898 C PRO A 66 -1.725 5.801 -7.526 1.00 0.00 C ATOM 899 O PRO A 66 -0.494 5.726 -7.505 1.00 0.00 O ATOM 900 CB PRO A 66 -1.807 5.789 -10.033 1.00 0.00 C ATOM 901 CG PRO A 66 -1.759 6.945 -10.968 1.00 0.00 C ATOM 902 CD PRO A 66 -1.572 8.150 -10.099 1.00 0.00 C ATOM 0 HA PRO A 66 -3.497 6.038 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.808 5.401 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.390 4.968 -10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.939 6.842 -11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.678 7.019 -11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.519 8.342 -9.892 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.975 9.051 -10.562 1.00 0.00 H new ATOM 910 N LEU A 67 -2.481 5.457 -6.500 1.00 0.00 N ATOM 911 CA LEU A 67 -1.910 4.854 -5.311 1.00 0.00 C ATOM 912 C LEU A 67 -2.225 3.374 -5.287 1.00 0.00 C ATOM 913 O LEU A 67 -3.362 2.979 -5.043 1.00 0.00 O ATOM 914 CB LEU A 67 -2.439 5.519 -4.036 1.00 0.00 C ATOM 915 CG LEU A 67 -2.127 4.762 -2.739 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.629 4.588 -2.555 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.726 5.475 -1.541 1.00 0.00 C ATOM 0 H LEU A 67 -3.492 5.585 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.830 5.000 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.018 6.522 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.520 5.632 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.579 3.773 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.437 4.048 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.222 4.024 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.152 5.567 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.492 4.920 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.309 6.480 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.808 5.538 -1.659 1.00 0.00 H new ATOM 929 N ARG A 68 -1.225 2.562 -5.557 1.00 0.00 N ATOM 930 CA ARG A 68 -1.402 1.126 -5.528 1.00 0.00 C ATOM 931 C ARG A 68 -0.840 0.549 -4.243 1.00 0.00 C ATOM 932 O ARG A 68 0.376 0.484 -4.055 1.00 0.00 O ATOM 933 CB ARG A 68 -0.749 0.475 -6.749 1.00 0.00 C ATOM 934 CG ARG A 68 -1.439 0.836 -8.050 1.00 0.00 C ATOM 935 CD ARG A 68 -0.786 0.188 -9.254 1.00 0.00 C ATOM 936 NE ARG A 68 -1.423 0.627 -10.497 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.841 0.606 -11.692 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.392 0.136 -11.832 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.498 1.061 -12.754 1.00 0.00 N ATOM 0 H ARG A 68 -0.283 2.871 -5.798 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.470 0.910 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.296 0.780 -6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.760 -0.608 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.484 0.531 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.429 1.919 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.274 0.440 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.855 -0.897 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.381 0.973 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.900 -0.213 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.832 0.123 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.445 1.425 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.055 1.047 -13.673 1.00 0.00 H new ATOM 953 N ILE A 69 -1.734 0.167 -3.345 1.00 0.00 N ATOM 954 CA ILE A 69 -1.331 -0.514 -2.132 1.00 0.00 C ATOM 955 C ILE A 69 -1.238 -2.000 -2.431 1.00 0.00 C ATOM 956 O ILE A 69 -2.253 -2.683 -2.561 1.00 0.00 O ATOM 957 CB ILE A 69 -2.314 -0.293 -0.954 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.525 1.197 -0.671 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.805 -0.994 0.298 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.581 1.837 -1.546 1.00 0.00 C ATOM 0 H ILE A 69 -2.739 0.318 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.371 -0.101 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.275 -0.721 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.806 1.323 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.581 1.722 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.505 -0.830 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.716 -2.063 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.829 -0.591 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.676 2.892 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.292 1.743 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.537 1.338 -1.387 1.00 0.00 H new ATOM 972 N ILE A 70 -0.019 -2.485 -2.568 1.00 0.00 N ATOM 973 CA ILE A 70 0.210 -3.856 -2.969 1.00 0.00 C ATOM 974 C ILE A 70 0.614 -4.690 -1.765 1.00 0.00 C ATOM 975 O ILE A 70 1.679 -4.486 -1.184 1.00 0.00 O ATOM 976 CB ILE A 70 1.313 -3.951 -4.047 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.245 -2.747 -4.992 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.157 -5.242 -4.834 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.347 -2.721 -6.032 1.00 0.00 C ATOM 0 H ILE A 70 0.831 -1.945 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.720 -4.238 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 70 2.285 -3.949 -3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.280 -2.749 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.293 -1.831 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.938 -5.303 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.241 -6.093 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.180 -5.258 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.231 -1.840 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.316 -2.686 -5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.287 -3.618 -6.648 1.00 0.00 H new ATOM 991 N GLY A 71 -0.248 -5.613 -1.381 1.00 0.00 N ATOM 992 CA GLY A 71 0.031 -6.451 -0.245 1.00 0.00 C ATOM 993 C GLY A 71 -1.033 -7.497 -0.030 1.00 0.00 C ATOM 994 O GLY A 71 -1.391 -8.228 -0.952 1.00 0.00 O ATOM 0 H GLY A 71 -1.140 -5.796 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.995 -6.940 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.115 -5.832 0.648 1.00 0.00 H new ATOM 998 N ASP A 72 -1.536 -7.559 1.187 1.00 0.00 N ATOM 999 CA ASP A 72 -2.526 -8.555 1.578 1.00 0.00 C ATOM 1000 C ASP A 72 -3.879 -7.896 1.797 1.00 0.00 C ATOM 1001 O ASP A 72 -3.916 -6.778 2.297 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.062 -9.235 2.863 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.146 -10.044 3.540 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.905 -9.462 4.344 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.234 -11.248 3.267 1.00 0.00 O ATOM 0 H ASP A 72 -1.272 -6.921 1.938 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.629 -9.296 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.220 -9.888 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.699 -8.476 3.556 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.995 -8.556 1.434 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.337 -7.958 1.514 1.00 0.00 C ATOM 1012 C PRO A 73 -6.583 -7.199 2.818 1.00 0.00 C ATOM 1013 O PRO A 73 -7.158 -6.104 2.812 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.264 -9.168 1.430 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.508 -10.170 0.633 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.047 -9.943 0.931 1.00 0.00 C ATOM 0 HA PRO A 73 -6.489 -7.217 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.505 -9.551 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.208 -8.911 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.806 -11.184 0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.710 -10.051 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.677 -10.650 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.434 -10.067 0.038 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.100 -7.758 3.919 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.353 -7.208 5.237 1.00 0.00 C ATOM 1026 C TYR A 74 -5.519 -5.952 5.469 1.00 0.00 C ATOM 1027 O TYR A 74 -6.054 -4.887 5.789 1.00 0.00 O ATOM 1028 CB TYR A 74 -6.047 -8.275 6.297 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.209 -7.818 7.731 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.470 -7.690 8.305 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.098 -7.539 8.516 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.618 -7.294 9.622 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.236 -7.140 9.831 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.497 -7.020 10.381 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.634 -6.622 11.694 1.00 0.00 O ATOM 0 H TYR A 74 -5.525 -8.601 3.921 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.402 -6.922 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.701 -9.131 6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.024 -8.623 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.347 -7.903 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.110 -7.636 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.603 -7.200 10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.362 -6.923 10.427 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.748 -6.471 12.084 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.211 -6.065 5.276 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.320 -4.932 5.489 1.00 0.00 C ATOM 1047 C LYS A 75 -3.414 -3.917 4.355 1.00 0.00 C ATOM 1048 O LYS A 75 -3.014 -2.771 4.522 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.871 -5.377 5.741 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.426 -6.625 4.990 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.202 -7.248 5.659 1.00 0.00 C ATOM 1052 CE LYS A 75 0.042 -8.681 5.199 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.090 -9.359 6.007 1.00 0.00 N ATOM 0 H LYS A 75 -3.747 -6.922 4.975 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.657 -4.430 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.206 -4.556 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.744 -5.553 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.240 -7.349 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.192 -6.370 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.677 -6.643 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.335 -7.234 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.888 -9.246 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.339 -8.679 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.603 -10.038 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.756 -8.651 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.645 -9.863 6.801 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.962 -4.322 3.215 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.253 -3.376 2.141 1.00 0.00 C ATOM 1069 C VAL A 76 -5.404 -2.473 2.558 1.00 0.00 C ATOM 1070 O VAL A 76 -5.382 -1.264 2.326 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.598 -4.088 0.805 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -5.281 -3.139 -0.177 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.338 -4.660 0.178 1.00 0.00 C ATOM 0 H VAL A 76 -4.212 -5.289 3.010 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.354 -2.785 1.969 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.293 -4.897 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.507 -3.672 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.206 -2.765 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.618 -2.302 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.591 -5.157 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.631 -3.854 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.886 -5.380 0.861 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.394 -3.064 3.212 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.541 -2.318 3.688 1.00 0.00 C ATOM 1085 C GLN A 77 -7.129 -1.399 4.830 1.00 0.00 C ATOM 1086 O GLN A 77 -7.479 -0.217 4.840 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.651 -3.276 4.129 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.881 -2.580 4.683 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.478 -1.566 3.720 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -11.327 -1.897 2.890 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.044 -0.320 3.836 1.00 0.00 N ATOM 0 H GLN A 77 -6.422 -4.061 3.424 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.927 -1.703 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.946 -3.891 3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.255 -3.951 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.635 -3.328 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.618 -2.077 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.340 -0.088 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.414 0.408 3.225 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.367 -1.937 5.776 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.848 -1.137 6.881 1.00 0.00 C ATOM 1102 C GLN A 78 -4.996 0.012 6.362 1.00 0.00 C ATOM 1103 O GLN A 78 -5.063 1.126 6.875 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.026 -1.996 7.843 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.865 -2.940 8.681 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.056 -3.648 9.748 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.872 -3.942 9.564 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.685 -3.905 10.881 1.00 0.00 N ATOM 0 H GLN A 78 -6.095 -2.920 5.801 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.702 -0.729 7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.303 -2.577 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.458 -1.343 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.672 -2.380 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.330 -3.681 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.665 -3.645 10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.191 -4.364 11.646 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.210 -0.268 5.332 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.361 0.738 4.716 1.00 0.00 C ATOM 1119 C ALA A 79 -4.193 1.786 3.982 1.00 0.00 C ATOM 1120 O ALA A 79 -3.864 2.969 3.984 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.384 0.071 3.765 1.00 0.00 C ATOM 0 H ALA A 79 -4.144 -1.191 4.904 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.803 1.249 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.749 0.828 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.764 -0.636 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.936 -0.459 2.989 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.277 1.341 3.362 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.174 2.230 2.642 1.00 0.00 C ATOM 1129 C CYS A 80 -6.853 3.203 3.593 1.00 0.00 C ATOM 1130 O CYS A 80 -6.831 4.410 3.370 1.00 0.00 O ATOM 1131 CB CYS A 80 -7.220 1.424 1.872 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.475 2.434 1.057 1.00 0.00 S ATOM 0 H CYS A 80 -5.557 0.360 3.344 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.582 2.805 1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.715 0.816 1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.712 0.737 2.560 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.875 1.838 -0.027 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.441 2.690 4.662 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.084 3.557 5.640 1.00 0.00 C ATOM 1140 C GLU A 81 -7.035 4.359 6.403 1.00 0.00 C ATOM 1141 O GLU A 81 -7.344 5.380 7.005 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.986 2.759 6.586 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.306 1.588 7.267 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.279 0.761 8.077 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.975 -0.084 7.480 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.367 0.964 9.308 1.00 0.00 O ATOM 0 H GLU A 81 -7.487 1.693 4.874 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.727 4.259 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.374 3.432 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.843 2.388 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.832 0.957 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.514 1.957 7.919 1.00 0.00 H new ATOM 1153 N MET A 82 -5.794 3.888 6.358 1.00 0.00 N ATOM 1154 CA MET A 82 -4.667 4.623 6.931 1.00 0.00 C ATOM 1155 C MET A 82 -4.360 5.863 6.092 1.00 0.00 C ATOM 1156 O MET A 82 -4.309 6.976 6.611 1.00 0.00 O ATOM 1157 CB MET A 82 -3.422 3.734 6.998 1.00 0.00 C ATOM 1158 CG MET A 82 -2.222 4.399 7.651 1.00 0.00 C ATOM 1159 SD MET A 82 -0.690 3.487 7.370 1.00 0.00 S ATOM 1160 CE MET A 82 -1.111 1.872 8.016 1.00 0.00 C ATOM 0 H MET A 82 -5.540 2.998 5.930 1.00 0.00 H new ATOM 0 HA MET A 82 -4.941 4.929 7.941 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.666 2.826 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.150 3.430 5.987 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.115 5.412 7.262 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.398 4.487 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.228 1.420 8.468 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.893 1.974 8.769 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.469 1.238 7.205 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.165 5.671 4.792 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.837 6.784 3.908 1.00 0.00 C ATOM 1172 C VAL A 83 -5.036 7.713 3.712 1.00 0.00 C ATOM 1173 O VAL A 83 -4.875 8.930 3.624 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.307 6.312 2.532 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.997 5.559 2.696 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.327 5.447 1.807 1.00 0.00 C ATOM 0 H VAL A 83 -4.227 4.764 4.330 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.037 7.337 4.401 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.131 7.199 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.639 5.235 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.256 6.214 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.155 4.688 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.921 5.134 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.552 4.567 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.241 6.019 1.646 1.00 0.00 H new ATOM 1186 N MET A 84 -6.240 7.145 3.666 1.00 0.00 N ATOM 1187 CA MET A 84 -7.448 7.956 3.535 1.00 0.00 C ATOM 1188 C MET A 84 -7.694 8.741 4.814 1.00 0.00 C ATOM 1189 O MET A 84 -8.300 9.809 4.789 1.00 0.00 O ATOM 1190 CB MET A 84 -8.673 7.098 3.208 1.00 0.00 C ATOM 1191 CG MET A 84 -8.593 6.396 1.861 1.00 0.00 C ATOM 1192 SD MET A 84 -10.139 5.584 1.402 1.00 0.00 S ATOM 1193 CE MET A 84 -10.461 4.582 2.852 1.00 0.00 C ATOM 0 H MET A 84 -6.404 6.140 3.717 1.00 0.00 H new ATOM 0 HA MET A 84 -7.292 8.648 2.707 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.799 6.349 3.990 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.561 7.729 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.328 7.123 1.093 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.794 5.656 1.889 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.220 3.836 2.617 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.543 4.082 3.160 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.817 5.218 3.662 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.210 8.205 5.931 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.296 8.898 7.219 1.00 0.00 C ATOM 1205 C ASP A 85 -6.560 10.226 7.138 1.00 0.00 C ATOM 1206 O ASP A 85 -7.096 11.272 7.499 1.00 0.00 O ATOM 1207 CB ASP A 85 -6.692 8.031 8.334 1.00 0.00 C ATOM 1208 CG ASP A 85 -6.758 8.676 9.705 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -5.885 9.502 10.027 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.681 8.339 10.480 1.00 0.00 O ATOM 0 H ASP A 85 -6.754 7.294 5.973 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.345 9.082 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.216 7.076 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.651 7.816 8.092 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.342 10.171 6.616 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.504 11.354 6.463 1.00 0.00 C ATOM 1217 C ILE A 86 -5.172 12.386 5.556 1.00 0.00 C ATOM 1218 O ILE A 86 -5.051 13.592 5.771 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.124 10.982 5.875 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.494 9.845 6.686 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.202 12.195 5.858 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.216 9.302 6.084 1.00 0.00 C ATOM 0 H ILE A 86 -4.908 9.309 6.288 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.368 11.784 7.455 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.265 10.645 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.287 10.202 7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.215 9.033 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.236 11.912 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.645 12.981 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.064 12.562 6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.829 8.501 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.420 8.913 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.477 10.100 6.018 1.00 0.00 H new ATOM 1234 N LEU A 87 -5.894 11.903 4.554 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.549 12.778 3.590 1.00 0.00 C ATOM 1236 C LEU A 87 -7.869 13.318 4.138 1.00 0.00 C ATOM 1237 O LEU A 87 -8.423 14.281 3.608 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.804 12.024 2.284 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.577 11.353 1.665 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.935 10.716 0.333 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.444 12.352 1.493 1.00 0.00 C ATOM 0 H LEU A 87 -6.041 10.908 4.387 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.886 13.622 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.561 11.261 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.222 12.721 1.557 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.238 10.569 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.050 10.243 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.710 9.965 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.302 11.482 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.582 11.852 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.769 13.161 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.168 12.760 2.465 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.368 12.689 5.189 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.643 13.072 5.779 1.00 0.00 C ATOM 1255 C ARG A 88 -9.439 13.985 6.974 1.00 0.00 C ATOM 1256 O ARG A 88 -10.229 14.893 7.230 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.414 11.821 6.206 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.740 12.112 6.890 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.005 11.122 8.012 1.00 0.00 C ATOM 1260 NE ARG A 88 -11.000 11.241 9.070 1.00 0.00 N ATOM 1261 CZ ARG A 88 -10.213 10.244 9.471 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -10.395 9.014 9.003 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -9.252 10.467 10.358 1.00 0.00 N ATOM 0 H ARG A 88 -7.908 11.907 5.654 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.217 13.615 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.599 11.204 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.790 11.236 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.732 13.126 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.548 12.064 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.997 11.296 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.000 10.107 7.614 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.896 12.146 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.141 8.829 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.789 8.255 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.114 11.404 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.651 9.701 10.663 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.364 13.740 7.676 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.083 14.421 8.929 1.00 0.00 C ATOM 1279 C GLU A 89 -7.536 15.823 8.674 1.00 0.00 C ATOM 1280 O GLU A 89 -8.308 16.796 8.786 1.00 0.00 O ATOM 1281 CB GLU A 89 -7.089 13.605 9.755 1.00 0.00 C ATOM 1282 CG GLU A 89 -7.079 13.961 11.231 1.00 0.00 C ATOM 1283 CD GLU A 89 -8.421 13.719 11.890 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -8.891 12.562 11.891 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -9.016 14.680 12.415 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.333 15.945 8.354 1.00 0.00 O ATOM 0 H GLU A 89 -7.652 13.063 7.401 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.014 14.517 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.325 12.546 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.088 13.751 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.316 13.372 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.803 15.009 11.348 1.00 0.00 H new TER 1293 GLU A 89