USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 831 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: B 105 HIS : no HD1:sc= 0.708 K(o=0.99,f=-4.8!) USER MOD Set 1.2: B 107 SER OG : rot 113:sc= 0.283 USER MOD Set 2.1: A 64 ASN : amide:sc= 1.19 K(o=2.9,f=-3.6!) USER MOD Set 2.2: A 83 SER OG : rot -111:sc= 1.67 USER MOD Set 3.1: A 61 THR OG1 : rot 85:sc= 1.11 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.825 K(o=1.9,f=-1.6) USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.294 X(o=-2.9,f=-3) USER MOD Set 4.2: A 56 GLN : amide:sc= -2.57! C(o=-2.9!,f=-5.8!) USER MOD Set 5.1: A 28 MET CE :methyl -163:sc= -0.0915 (180deg=-0.507) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= -0.783 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 164:sc= -0.0945 (180deg=-0.538) USER MOD Single : A 11 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.003) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -175:sc= 1.18 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -151:sc= 1.27 USER MOD Single : A 31 SER OG : rot 180:sc= 0.112 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-1.8!) USER MOD Single : A 38 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-7.6!) USER MOD Single : A 39 MET CE :methyl -158:sc= -0.0202 (180deg=-0.555) USER MOD Single : A 50 SER OG : rot 180:sc= -0.875 USER MOD Single : A 69 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-8.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.666 K(o=-0.67,f=-3.8) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc=-9.83e-06 (180deg=-0.0505) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 132:sc= 0.683 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.42) USER MOD Single : B 101 SER OG : rot 23:sc= 0.5 USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 106 LYS NZ :NH3+ 171:sc=-0.00712 (180deg=-0.113) USER MOD Single : B 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.910 -10.978 -12.837 1.00 0.00 N ATOM 2 CA GLY A 1 -9.389 -9.753 -12.184 1.00 0.00 C ATOM 3 C GLY A 1 -9.592 -8.521 -13.040 1.00 0.00 C ATOM 4 O GLY A 1 -10.719 -8.200 -13.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.750 -11.797 -12.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.929 -10.871 -13.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.416 -11.127 -13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.888 -9.614 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.326 -9.878 -11.975 1.00 0.00 H new ATOM 10 N GLY A 2 -8.507 -7.827 -13.347 1.00 0.00 N ATOM 11 CA GLY A 2 -8.594 -6.637 -14.165 1.00 0.00 C ATOM 12 C GLY A 2 -7.230 -6.154 -14.605 1.00 0.00 C ATOM 13 O GLY A 2 -6.227 -6.846 -14.409 1.00 0.00 O ATOM 0 H GLY A 2 -7.564 -8.068 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.206 -6.844 -15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.095 -5.848 -13.605 1.00 0.00 H new ATOM 17 N SER A 3 -7.185 -4.975 -15.206 1.00 0.00 N ATOM 18 CA SER A 3 -5.934 -4.400 -15.670 1.00 0.00 C ATOM 19 C SER A 3 -5.974 -2.878 -15.557 1.00 0.00 C ATOM 20 O SER A 3 -7.054 -2.286 -15.507 1.00 0.00 O ATOM 21 CB SER A 3 -5.663 -4.815 -17.120 1.00 0.00 C ATOM 22 OG SER A 3 -5.585 -6.225 -17.240 1.00 0.00 O ATOM 0 H SER A 3 -8.006 -4.396 -15.384 1.00 0.00 H new ATOM 0 HA SER A 3 -5.126 -4.776 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.456 -4.435 -17.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.731 -4.365 -17.462 1.00 0.00 H new ATOM 0 HG SER A 3 -5.413 -6.465 -18.175 1.00 0.00 H new ATOM 28 N MET A 4 -4.790 -2.259 -15.511 1.00 0.00 N ATOM 29 CA MET A 4 -4.661 -0.803 -15.403 1.00 0.00 C ATOM 30 C MET A 4 -5.248 -0.300 -14.089 1.00 0.00 C ATOM 31 O MET A 4 -6.372 0.200 -14.043 1.00 0.00 O ATOM 32 CB MET A 4 -5.331 -0.095 -16.587 1.00 0.00 C ATOM 33 CG MET A 4 -4.536 -0.176 -17.878 1.00 0.00 C ATOM 34 SD MET A 4 -5.475 0.414 -19.301 1.00 0.00 S ATOM 35 CE MET A 4 -5.888 2.075 -18.768 1.00 0.00 C ATOM 0 H MET A 4 -3.897 -2.751 -15.547 1.00 0.00 H new ATOM 0 HA MET A 4 -3.597 -0.567 -15.422 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.316 -0.532 -16.750 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.486 0.953 -16.331 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.624 0.413 -17.778 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.231 -1.208 -18.050 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.213 2.662 -19.627 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.692 2.032 -18.033 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.011 2.542 -18.320 1.00 0.00 H new ATOM 45 N ARG A 5 -4.483 -0.455 -13.020 1.00 0.00 N ATOM 46 CA ARG A 5 -4.918 -0.018 -11.703 1.00 0.00 C ATOM 47 C ARG A 5 -4.877 1.507 -11.626 1.00 0.00 C ATOM 48 O ARG A 5 -3.943 2.123 -12.137 1.00 0.00 O ATOM 49 CB ARG A 5 -4.038 -0.639 -10.616 1.00 0.00 C ATOM 50 CG ARG A 5 -4.263 -2.134 -10.421 1.00 0.00 C ATOM 51 CD ARG A 5 -3.490 -2.964 -11.434 1.00 0.00 C ATOM 52 NE ARG A 5 -3.581 -4.392 -11.152 1.00 0.00 N ATOM 53 CZ ARG A 5 -2.830 -5.321 -11.740 1.00 0.00 C ATOM 54 NH1 ARG A 5 -1.969 -4.983 -12.695 1.00 0.00 N ATOM 55 NH2 ARG A 5 -2.958 -6.593 -11.384 1.00 0.00 N ATOM 0 H ARG A 5 -3.556 -0.881 -13.039 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.943 -0.350 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.991 -0.469 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.226 -0.127 -9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.960 -2.418 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.327 -2.355 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.875 -2.767 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.443 -2.659 -11.430 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.264 -4.699 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.881 -4.008 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.396 -5.699 -13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.630 -6.856 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.385 -7.308 -11.832 1.00 0.00 H new ATOM 69 N PRO A 6 -5.879 2.144 -11.000 1.00 0.00 N ATOM 70 CA PRO A 6 -5.954 3.602 -10.884 1.00 0.00 C ATOM 71 C PRO A 6 -5.222 4.137 -9.655 1.00 0.00 C ATOM 72 O PRO A 6 -5.656 3.909 -8.520 1.00 0.00 O ATOM 73 CB PRO A 6 -7.468 3.863 -10.743 1.00 0.00 C ATOM 74 CG PRO A 6 -8.114 2.507 -10.704 1.00 0.00 C ATOM 75 CD PRO A 6 -7.038 1.541 -10.343 1.00 0.00 C ATOM 0 HA PRO A 6 -5.485 4.097 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.685 4.426 -9.835 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.843 4.451 -11.580 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.921 2.482 -9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.553 2.257 -11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.903 1.460 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.245 0.537 -10.714 1.00 0.00 H new ATOM 83 N PRO A 7 -4.084 4.830 -9.850 1.00 0.00 N ATOM 84 CA PRO A 7 -3.319 5.402 -8.747 1.00 0.00 C ATOM 85 C PRO A 7 -3.986 6.612 -8.128 1.00 0.00 C ATOM 86 O PRO A 7 -4.245 7.611 -8.800 1.00 0.00 O ATOM 87 CB PRO A 7 -2.000 5.837 -9.372 1.00 0.00 C ATOM 88 CG PRO A 7 -1.982 5.241 -10.737 1.00 0.00 C ATOM 89 CD PRO A 7 -3.426 5.081 -11.139 1.00 0.00 C ATOM 0 HA PRO A 7 -3.215 4.670 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.929 6.924 -9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.153 5.487 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.451 5.886 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.468 4.280 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.814 5.976 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.565 4.253 -11.835 1.00 0.00 H new ATOM 97 N ILE A 8 -4.254 6.513 -6.850 1.00 0.00 N ATOM 98 CA ILE A 8 -4.848 7.589 -6.113 1.00 0.00 C ATOM 99 C ILE A 8 -3.760 8.554 -5.697 1.00 0.00 C ATOM 100 O ILE A 8 -2.900 8.220 -4.886 1.00 0.00 O ATOM 101 CB ILE A 8 -5.574 7.063 -4.880 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.199 5.729 -5.210 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.648 8.030 -4.471 1.00 0.00 C ATOM 104 CD1 ILE A 8 -5.954 4.656 -4.176 1.00 0.00 C ATOM 0 H ILE A 8 -4.064 5.679 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.577 8.097 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.865 6.949 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.274 5.864 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.812 5.387 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.164 7.649 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.199 8.996 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.362 8.147 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.437 3.731 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.882 4.489 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.366 4.973 -3.218 1.00 0.00 H new ATOM 116 N ILE A 9 -3.766 9.725 -6.279 1.00 0.00 N ATOM 117 CA ILE A 9 -2.758 10.712 -5.966 1.00 0.00 C ATOM 118 C ILE A 9 -3.053 11.379 -4.631 1.00 0.00 C ATOM 119 O ILE A 9 -3.926 12.248 -4.546 1.00 0.00 O ATOM 120 CB ILE A 9 -2.656 11.804 -7.054 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.905 11.227 -8.456 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.291 12.482 -6.987 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.839 10.263 -8.930 1.00 0.00 C ATOM 0 H ILE A 9 -4.455 10.021 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.808 10.180 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.431 12.546 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.868 10.717 -8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.977 12.050 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.228 13.250 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.160 12.940 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.508 11.741 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.092 9.903 -9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.876 10.772 -8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.781 9.418 -8.243 1.00 0.00 H new ATOM 135 N ILE A 10 -2.358 10.950 -3.581 1.00 0.00 N ATOM 136 CA ILE A 10 -2.531 11.566 -2.278 1.00 0.00 C ATOM 137 C ILE A 10 -1.790 12.888 -2.309 1.00 0.00 C ATOM 138 O ILE A 10 -0.953 13.102 -3.178 1.00 0.00 O ATOM 139 CB ILE A 10 -1.959 10.717 -1.106 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.511 9.301 -1.088 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.277 11.365 0.231 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.486 8.265 -0.726 1.00 0.00 C ATOM 0 H ILE A 10 -1.680 10.189 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.601 11.673 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.882 10.671 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.335 9.250 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.922 9.067 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.868 10.756 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.834 12.360 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.358 11.445 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.948 7.278 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.672 8.289 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.092 8.475 0.268 1.00 0.00 H new ATOM 154 N HIS A 11 -2.078 13.758 -1.373 1.00 0.00 N ATOM 155 CA HIS A 11 -1.419 15.035 -1.300 1.00 0.00 C ATOM 156 C HIS A 11 -1.184 15.353 0.165 1.00 0.00 C ATOM 157 O HIS A 11 -2.122 15.628 0.914 1.00 0.00 O ATOM 158 CB HIS A 11 -2.267 16.121 -1.974 1.00 0.00 C ATOM 159 CG HIS A 11 -1.545 17.414 -2.174 1.00 0.00 C ATOM 160 ND1 HIS A 11 -1.915 18.549 -1.498 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.493 17.700 -2.978 1.00 0.00 C ATOM 162 CE1 HIS A 11 -1.089 19.496 -1.899 1.00 0.00 C ATOM 163 NE2 HIS A 11 -0.208 19.029 -2.797 1.00 0.00 N ATOM 0 H HIS A 11 -2.773 13.600 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.467 15.002 -1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.609 15.753 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.156 16.302 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.022 17.014 -3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.118 20.517 -1.549 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.531 19.560 -3.257 1.00 0.00 H new ATOM 171 N ARG A 12 0.068 15.256 0.576 1.00 0.00 N ATOM 172 CA ARG A 12 0.447 15.502 1.949 1.00 0.00 C ATOM 173 C ARG A 12 0.141 16.937 2.355 1.00 0.00 C ATOM 174 O ARG A 12 0.781 17.878 1.890 1.00 0.00 O ATOM 175 CB ARG A 12 1.930 15.211 2.123 1.00 0.00 C ATOM 176 CG ARG A 12 2.418 15.317 3.550 1.00 0.00 C ATOM 177 CD ARG A 12 3.883 14.950 3.631 1.00 0.00 C ATOM 178 NE ARG A 12 4.428 15.142 4.973 1.00 0.00 N ATOM 179 CZ ARG A 12 5.321 16.080 5.286 1.00 0.00 C ATOM 180 NH1 ARG A 12 5.757 16.921 4.358 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.783 16.175 6.528 1.00 0.00 N ATOM 0 H ARG A 12 0.846 15.005 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.133 14.843 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.138 14.207 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.500 15.903 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.269 16.332 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.834 14.657 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.012 13.909 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.447 15.556 2.922 1.00 0.00 H new ATOM 0 HE ARG A 12 4.105 14.521 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.409 16.851 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.441 17.638 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.454 15.529 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.467 16.894 6.764 1.00 0.00 H new ATOM 195 N ALA A 13 -0.847 17.090 3.226 1.00 0.00 N ATOM 196 CA ALA A 13 -1.250 18.401 3.717 1.00 0.00 C ATOM 197 C ALA A 13 -0.335 18.860 4.847 1.00 0.00 C ATOM 198 O ALA A 13 -0.795 19.324 5.890 1.00 0.00 O ATOM 199 CB ALA A 13 -2.698 18.360 4.185 1.00 0.00 C ATOM 0 H ALA A 13 -1.388 16.315 3.610 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.165 19.119 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.990 19.344 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.342 18.076 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.800 17.630 4.988 1.00 0.00 H new ATOM 205 N GLY A 14 0.969 18.715 4.637 1.00 0.00 N ATOM 206 CA GLY A 14 1.940 19.108 5.642 1.00 0.00 C ATOM 207 C GLY A 14 2.044 18.112 6.780 1.00 0.00 C ATOM 208 O GLY A 14 2.822 18.306 7.714 1.00 0.00 O ATOM 0 H GLY A 14 1.373 18.330 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.917 19.219 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.666 20.084 6.043 1.00 0.00 H new ATOM 212 N LYS A 15 1.254 17.050 6.710 1.00 0.00 N ATOM 213 CA LYS A 15 1.264 16.026 7.744 1.00 0.00 C ATOM 214 C LYS A 15 1.652 14.665 7.172 1.00 0.00 C ATOM 215 O LYS A 15 2.816 14.273 7.230 1.00 0.00 O ATOM 216 CB LYS A 15 -0.098 15.940 8.450 1.00 0.00 C ATOM 217 CG LYS A 15 -1.296 16.290 7.573 1.00 0.00 C ATOM 218 CD LYS A 15 -2.607 15.859 8.217 1.00 0.00 C ATOM 219 CE LYS A 15 -2.883 16.623 9.505 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.098 16.121 10.204 1.00 0.00 N ATOM 0 H LYS A 15 0.598 16.875 5.948 1.00 0.00 H new ATOM 0 HA LYS A 15 2.015 16.313 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.229 14.928 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.088 16.608 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.314 17.365 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.191 15.806 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.426 16.020 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.574 14.790 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.022 16.538 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.007 17.682 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.249 16.669 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.925 16.226 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.971 15.117 10.444 1.00 0.00 H new ATOM 234 N LYS A 16 0.686 13.967 6.588 1.00 0.00 N ATOM 235 CA LYS A 16 0.931 12.645 6.026 1.00 0.00 C ATOM 236 C LYS A 16 -0.079 12.330 4.931 1.00 0.00 C ATOM 237 O LYS A 16 -0.921 13.168 4.601 1.00 0.00 O ATOM 238 CB LYS A 16 0.864 11.582 7.129 1.00 0.00 C ATOM 239 CG LYS A 16 -0.254 11.808 8.135 1.00 0.00 C ATOM 240 CD LYS A 16 0.064 11.184 9.485 1.00 0.00 C ATOM 241 CE LYS A 16 -1.047 11.449 10.489 1.00 0.00 C ATOM 242 NZ LYS A 16 -0.765 10.835 11.815 1.00 0.00 N ATOM 0 H LYS A 16 -0.275 14.295 6.491 1.00 0.00 H new ATOM 0 HA LYS A 16 1.928 12.637 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.733 10.603 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.817 11.561 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.420 12.878 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.181 11.385 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.203 10.109 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.003 11.588 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.177 12.525 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.987 11.056 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.549 11.041 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.667 9.805 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.118 11.229 12.199 1.00 0.00 H new ATOM 256 N TYR A 17 0.027 11.136 4.359 1.00 0.00 N ATOM 257 CA TYR A 17 -0.872 10.700 3.295 1.00 0.00 C ATOM 258 C TYR A 17 -2.103 10.036 3.887 1.00 0.00 C ATOM 259 O TYR A 17 -2.951 9.512 3.168 1.00 0.00 O ATOM 260 CB TYR A 17 -0.141 9.788 2.312 1.00 0.00 C ATOM 261 CG TYR A 17 1.202 10.369 1.938 1.00 0.00 C ATOM 262 CD1 TYR A 17 2.338 10.092 2.684 1.00 0.00 C ATOM 263 CD2 TYR A 17 1.318 11.230 0.860 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.553 10.656 2.365 1.00 0.00 C ATOM 265 CE2 TYR A 17 2.532 11.798 0.526 1.00 0.00 C ATOM 266 CZ TYR A 17 3.649 11.507 1.288 1.00 0.00 C ATOM 267 OH TYR A 17 4.870 12.059 0.974 1.00 0.00 O ATOM 0 H TYR A 17 0.733 10.447 4.617 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.208 11.571 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.005 8.802 2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.746 9.653 1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.268 9.423 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.444 11.462 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.427 10.431 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.608 12.463 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 17 4.762 12.695 0.236 1.00 0.00 H new ATOM 277 N GLY A 18 -2.183 10.084 5.207 1.00 0.00 N ATOM 278 CA GLY A 18 -3.311 9.561 5.940 1.00 0.00 C ATOM 279 C GLY A 18 -3.702 8.127 5.656 1.00 0.00 C ATOM 280 O GLY A 18 -4.868 7.857 5.433 1.00 0.00 O ATOM 0 H GLY A 18 -1.459 10.491 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.095 9.650 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.173 10.195 5.735 1.00 0.00 H new ATOM 284 N PHE A 19 -2.759 7.215 5.669 1.00 0.00 N ATOM 285 CA PHE A 19 -3.085 5.794 5.481 1.00 0.00 C ATOM 286 C PHE A 19 -1.953 4.865 5.895 1.00 0.00 C ATOM 287 O PHE A 19 -0.772 5.179 5.790 1.00 0.00 O ATOM 288 CB PHE A 19 -3.512 5.473 4.043 1.00 0.00 C ATOM 289 CG PHE A 19 -2.374 5.342 3.075 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.613 6.439 2.711 1.00 0.00 C ATOM 291 CD2 PHE A 19 -2.056 4.104 2.541 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.557 6.300 1.828 1.00 0.00 C ATOM 293 CE2 PHE A 19 -1.004 3.961 1.663 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.253 5.061 1.306 1.00 0.00 C ATOM 0 H PHE A 19 -1.768 7.413 5.805 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.932 5.613 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.081 4.543 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.183 6.257 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.845 7.411 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.641 3.239 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.029 7.163 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.768 2.989 1.255 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.572 4.952 0.618 1.00 0.00 H new ATOM 304 N THR A 20 -2.371 3.716 6.383 1.00 0.00 N ATOM 305 CA THR A 20 -1.471 2.665 6.862 1.00 0.00 C ATOM 306 C THR A 20 -1.125 1.647 5.767 1.00 0.00 C ATOM 307 O THR A 20 -2.004 0.931 5.284 1.00 0.00 O ATOM 308 CB THR A 20 -2.114 1.919 8.057 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.348 2.836 9.133 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.234 0.774 8.545 1.00 0.00 C ATOM 0 H THR A 20 -3.359 3.473 6.463 1.00 0.00 H new ATOM 0 HA THR A 20 -0.548 3.155 7.171 1.00 0.00 H new ATOM 0 HB THR A 20 -3.059 1.497 7.716 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.756 2.360 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.719 0.275 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.084 0.060 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.269 1.168 8.865 1.00 0.00 H new ATOM 318 N LEU A 21 0.150 1.583 5.376 1.00 0.00 N ATOM 319 CA LEU A 21 0.584 0.621 4.361 1.00 0.00 C ATOM 320 C LEU A 21 0.990 -0.698 5.015 1.00 0.00 C ATOM 321 O LEU A 21 2.160 -0.917 5.311 1.00 0.00 O ATOM 322 CB LEU A 21 1.755 1.157 3.516 1.00 0.00 C ATOM 323 CG LEU A 21 1.781 0.700 2.053 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.450 0.098 1.629 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.139 1.866 1.158 1.00 0.00 C ATOM 0 H LEU A 21 0.892 2.179 5.742 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.264 0.457 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.726 2.246 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.689 0.854 3.989 1.00 0.00 H new ATOM 0 HG LEU A 21 2.538 -0.078 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.508 -0.214 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.226 -0.766 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.338 0.842 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.156 1.536 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.397 2.656 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.122 2.248 1.434 1.00 0.00 H new ATOM 337 N ARG A 22 0.012 -1.555 5.267 1.00 0.00 N ATOM 338 CA ARG A 22 0.266 -2.853 5.884 1.00 0.00 C ATOM 339 C ARG A 22 1.030 -3.761 4.922 1.00 0.00 C ATOM 340 O ARG A 22 0.726 -3.792 3.731 1.00 0.00 O ATOM 341 CB ARG A 22 -1.056 -3.523 6.260 1.00 0.00 C ATOM 342 CG ARG A 22 -0.986 -4.384 7.509 1.00 0.00 C ATOM 343 CD ARG A 22 -1.076 -3.545 8.774 1.00 0.00 C ATOM 344 NE ARG A 22 -1.228 -4.381 9.966 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.213 -3.919 11.219 1.00 0.00 C ATOM 346 NH1 ARG A 22 -1.097 -2.619 11.459 1.00 0.00 N ATOM 347 NH2 ARG A 22 -1.323 -4.762 12.237 1.00 0.00 N ATOM 0 H ARG A 22 -0.969 -1.376 5.054 1.00 0.00 H new ATOM 0 HA ARG A 22 0.865 -2.694 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.812 -2.752 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.388 -4.140 5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.798 -5.111 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.053 -4.947 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.179 -2.933 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.921 -2.861 8.698 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.354 -5.384 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.018 -1.962 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.087 -2.277 12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.419 -5.762 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.312 -4.410 13.194 1.00 0.00 H new ATOM 361 N ALA A 23 1.985 -4.520 5.446 1.00 0.00 N ATOM 362 CA ALA A 23 2.779 -5.430 4.622 1.00 0.00 C ATOM 363 C ALA A 23 2.344 -6.869 4.849 1.00 0.00 C ATOM 364 O ALA A 23 2.104 -7.268 5.986 1.00 0.00 O ATOM 365 CB ALA A 23 4.261 -5.285 4.937 1.00 0.00 C ATOM 0 H ALA A 23 2.230 -4.525 6.436 1.00 0.00 H new ATOM 0 HA ALA A 23 2.615 -5.170 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.834 -5.971 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.577 -4.261 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.434 -5.519 5.987 1.00 0.00 H new ATOM 371 N ILE A 24 2.254 -7.651 3.783 1.00 0.00 N ATOM 372 CA ILE A 24 1.841 -9.043 3.904 1.00 0.00 C ATOM 373 C ILE A 24 2.595 -9.941 2.936 1.00 0.00 C ATOM 374 O ILE A 24 2.913 -9.547 1.813 1.00 0.00 O ATOM 375 CB ILE A 24 0.331 -9.223 3.658 1.00 0.00 C ATOM 376 CG1 ILE A 24 -0.124 -8.383 2.463 1.00 0.00 C ATOM 377 CG2 ILE A 24 -0.457 -8.864 4.907 1.00 0.00 C ATOM 378 CD1 ILE A 24 -1.402 -8.881 1.826 1.00 0.00 C ATOM 0 H ILE A 24 2.460 -7.349 2.831 1.00 0.00 H new ATOM 0 HA ILE A 24 2.075 -9.332 4.929 1.00 0.00 H new ATOM 0 HB ILE A 24 0.140 -10.271 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.267 -7.352 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.667 -8.375 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.522 -8.997 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.152 -9.512 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.263 -7.825 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.664 -8.238 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.258 -9.901 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.206 -8.863 2.562 1.00 0.00 H new ATOM 390 N ARG A 25 2.879 -11.153 3.386 1.00 0.00 N ATOM 391 CA ARG A 25 3.579 -12.131 2.575 1.00 0.00 C ATOM 392 C ARG A 25 2.661 -13.314 2.303 1.00 0.00 C ATOM 393 O ARG A 25 2.612 -14.269 3.081 1.00 0.00 O ATOM 394 CB ARG A 25 4.856 -12.598 3.274 1.00 0.00 C ATOM 395 CG ARG A 25 5.919 -11.517 3.388 1.00 0.00 C ATOM 396 CD ARG A 25 7.036 -11.926 4.335 1.00 0.00 C ATOM 397 NE ARG A 25 8.106 -10.928 4.390 1.00 0.00 N ATOM 398 CZ ARG A 25 8.907 -10.748 5.443 1.00 0.00 C ATOM 399 NH1 ARG A 25 8.757 -11.490 6.532 1.00 0.00 N ATOM 400 NH2 ARG A 25 9.855 -9.822 5.409 1.00 0.00 N ATOM 0 H ARG A 25 2.632 -11.483 4.319 1.00 0.00 H new ATOM 0 HA ARG A 25 3.862 -11.670 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.604 -12.954 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.269 -13.446 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.335 -11.310 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.462 -10.593 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.627 -12.074 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.449 -12.883 4.015 1.00 0.00 H new ATOM 0 HE ARG A 25 8.248 -10.334 3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.027 -12.202 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.371 -11.349 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.974 -9.244 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.465 -9.687 6.215 1.00 0.00 H new ATOM 414 N VAL A 26 1.923 -13.235 1.208 1.00 0.00 N ATOM 415 CA VAL A 26 0.988 -14.289 0.836 1.00 0.00 C ATOM 416 C VAL A 26 1.722 -15.499 0.266 1.00 0.00 C ATOM 417 O VAL A 26 2.401 -15.408 -0.759 1.00 0.00 O ATOM 418 CB VAL A 26 -0.066 -13.791 -0.178 1.00 0.00 C ATOM 419 CG1 VAL A 26 -1.118 -12.936 0.518 1.00 0.00 C ATOM 420 CG2 VAL A 26 0.584 -13.009 -1.306 1.00 0.00 C ATOM 0 H VAL A 26 1.952 -12.450 0.558 1.00 0.00 H new ATOM 0 HA VAL A 26 0.470 -14.586 1.748 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.553 -14.666 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.851 -12.595 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.618 -13.527 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.638 -12.073 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.183 -12.672 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.107 -12.145 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.295 -13.648 -1.829 1.00 0.00 H new ATOM 430 N TYR A 27 1.587 -16.626 0.943 1.00 0.00 N ATOM 431 CA TYR A 27 2.241 -17.858 0.521 1.00 0.00 C ATOM 432 C TYR A 27 1.493 -18.513 -0.633 1.00 0.00 C ATOM 433 O TYR A 27 0.301 -18.268 -0.836 1.00 0.00 O ATOM 434 CB TYR A 27 2.349 -18.832 1.694 1.00 0.00 C ATOM 435 CG TYR A 27 3.551 -18.585 2.574 1.00 0.00 C ATOM 436 CD1 TYR A 27 3.683 -17.405 3.294 1.00 0.00 C ATOM 437 CD2 TYR A 27 4.556 -19.532 2.681 1.00 0.00 C ATOM 438 CE1 TYR A 27 4.786 -17.177 4.093 1.00 0.00 C ATOM 439 CE2 TYR A 27 5.660 -19.311 3.478 1.00 0.00 C ATOM 440 CZ TYR A 27 5.771 -18.136 4.179 1.00 0.00 C ATOM 441 OH TYR A 27 6.875 -17.917 4.971 1.00 0.00 O ATOM 0 H TYR A 27 1.028 -16.716 1.792 1.00 0.00 H new ATOM 0 HA TYR A 27 3.243 -17.602 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.445 -18.761 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.395 -19.850 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.910 -16.653 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.474 -20.458 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.876 -16.254 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.435 -20.060 3.550 1.00 0.00 H new ATOM 0 HH TYR A 27 7.643 -18.401 4.602 1.00 0.00 H new ATOM 451 N MET A 28 2.203 -19.327 -1.402 1.00 0.00 N ATOM 452 CA MET A 28 1.609 -20.018 -2.538 1.00 0.00 C ATOM 453 C MET A 28 2.063 -21.474 -2.584 1.00 0.00 C ATOM 454 O MET A 28 2.981 -21.830 -3.325 1.00 0.00 O ATOM 455 CB MET A 28 1.973 -19.304 -3.845 1.00 0.00 C ATOM 456 CG MET A 28 1.403 -17.917 -3.967 1.00 0.00 C ATOM 457 SD MET A 28 1.816 -17.112 -5.528 1.00 0.00 S ATOM 458 CE MET A 28 3.600 -16.993 -5.397 1.00 0.00 C ATOM 0 H MET A 28 3.193 -19.525 -1.259 1.00 0.00 H new ATOM 0 HA MET A 28 0.526 -20.002 -2.420 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.059 -19.247 -3.925 1.00 0.00 H new ATOM 0 HB3 MET A 28 1.622 -19.904 -4.684 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.319 -17.967 -3.867 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.771 -17.306 -3.142 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.970 -16.266 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.870 -16.674 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.046 -17.967 -5.601 1.00 0.00 H new ATOM 468 N GLY A 29 1.436 -22.307 -1.772 1.00 0.00 N ATOM 469 CA GLY A 29 1.786 -23.710 -1.742 1.00 0.00 C ATOM 470 C GLY A 29 2.324 -24.140 -0.397 1.00 0.00 C ATOM 471 O GLY A 29 2.066 -23.493 0.618 1.00 0.00 O ATOM 0 H GLY A 29 0.689 -22.037 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.907 -24.306 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.532 -23.912 -2.510 1.00 0.00 H new ATOM 475 N ASP A 30 3.077 -25.231 -0.386 1.00 0.00 N ATOM 476 CA ASP A 30 3.652 -25.758 0.850 1.00 0.00 C ATOM 477 C ASP A 30 5.059 -25.221 1.071 1.00 0.00 C ATOM 478 O ASP A 30 5.579 -25.249 2.187 1.00 0.00 O ATOM 479 CB ASP A 30 3.683 -27.290 0.822 1.00 0.00 C ATOM 480 CG ASP A 30 2.317 -27.904 1.045 1.00 0.00 C ATOM 481 OD1 ASP A 30 1.924 -28.081 2.220 1.00 0.00 O ATOM 482 OD2 ASP A 30 1.627 -28.208 0.048 1.00 0.00 O ATOM 0 H ASP A 30 3.306 -25.772 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 30 3.020 -25.430 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.075 -27.624 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.369 -27.650 1.589 1.00 0.00 H new ATOM 487 N SER A 31 5.670 -24.734 0.005 1.00 0.00 N ATOM 488 CA SER A 31 7.016 -24.189 0.070 1.00 0.00 C ATOM 489 C SER A 31 7.026 -22.825 0.757 1.00 0.00 C ATOM 490 O SER A 31 5.972 -22.250 1.037 1.00 0.00 O ATOM 491 CB SER A 31 7.578 -24.074 -1.343 1.00 0.00 C ATOM 492 OG SER A 31 6.690 -24.660 -2.279 1.00 0.00 O ATOM 0 H SER A 31 5.251 -24.705 -0.924 1.00 0.00 H new ATOM 0 HA SER A 31 7.639 -24.861 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.739 -23.025 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.549 -24.567 -1.396 1.00 0.00 H new ATOM 0 HG SER A 31 7.064 -24.577 -3.181 1.00 0.00 H new ATOM 498 N ASP A 32 8.220 -22.306 1.018 1.00 0.00 N ATOM 499 CA ASP A 32 8.374 -21.004 1.665 1.00 0.00 C ATOM 500 C ASP A 32 8.217 -19.872 0.646 1.00 0.00 C ATOM 501 O ASP A 32 8.704 -18.760 0.843 1.00 0.00 O ATOM 502 CB ASP A 32 9.736 -20.917 2.365 1.00 0.00 C ATOM 503 CG ASP A 32 9.841 -19.734 3.319 1.00 0.00 C ATOM 504 OD1 ASP A 32 8.910 -19.520 4.131 1.00 0.00 O ATOM 505 OD2 ASP A 32 10.866 -19.018 3.271 1.00 0.00 O ATOM 0 H ASP A 32 9.101 -22.768 0.791 1.00 0.00 H new ATOM 0 HA ASP A 32 7.591 -20.895 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.914 -21.839 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.521 -20.840 1.612 1.00 0.00 H new ATOM 510 N VAL A 33 7.549 -20.173 -0.458 1.00 0.00 N ATOM 511 CA VAL A 33 7.317 -19.190 -1.497 1.00 0.00 C ATOM 512 C VAL A 33 6.128 -18.315 -1.143 1.00 0.00 C ATOM 513 O VAL A 33 5.037 -18.804 -0.837 1.00 0.00 O ATOM 514 CB VAL A 33 7.097 -19.839 -2.880 1.00 0.00 C ATOM 515 CG1 VAL A 33 6.049 -20.940 -2.812 1.00 0.00 C ATOM 516 CG2 VAL A 33 6.709 -18.785 -3.910 1.00 0.00 C ATOM 0 H VAL A 33 7.158 -21.095 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 33 8.216 -18.577 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 33 8.037 -20.295 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.916 -21.378 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.376 -21.711 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.102 -20.521 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.558 -19.261 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.787 -18.295 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.505 -18.044 -3.990 1.00 0.00 H new ATOM 526 N TYR A 34 6.355 -17.025 -1.189 1.00 0.00 N ATOM 527 CA TYR A 34 5.325 -16.056 -0.874 1.00 0.00 C ATOM 528 C TYR A 34 5.508 -14.800 -1.705 1.00 0.00 C ATOM 529 O TYR A 34 6.602 -14.526 -2.196 1.00 0.00 O ATOM 530 CB TYR A 34 5.353 -15.699 0.620 1.00 0.00 C ATOM 531 CG TYR A 34 6.705 -15.236 1.123 1.00 0.00 C ATOM 532 CD1 TYR A 34 7.181 -13.961 0.836 1.00 0.00 C ATOM 533 CD2 TYR A 34 7.503 -16.074 1.887 1.00 0.00 C ATOM 534 CE1 TYR A 34 8.415 -13.542 1.292 1.00 0.00 C ATOM 535 CE2 TYR A 34 8.735 -15.661 2.348 1.00 0.00 C ATOM 536 CZ TYR A 34 9.188 -14.394 2.048 1.00 0.00 C ATOM 537 OH TYR A 34 10.416 -13.980 2.505 1.00 0.00 O ATOM 0 H TYR A 34 7.253 -16.615 -1.444 1.00 0.00 H new ATOM 0 HA TYR A 34 4.358 -16.501 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.620 -14.915 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.043 -16.571 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.576 -13.288 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.153 -17.068 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.772 -12.550 1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 34 9.343 -16.328 2.942 1.00 0.00 H new ATOM 0 HH TYR A 34 10.832 -14.700 3.023 1.00 0.00 H new ATOM 547 N THR A 35 4.437 -14.052 -1.876 1.00 0.00 N ATOM 548 CA THR A 35 4.502 -12.813 -2.617 1.00 0.00 C ATOM 549 C THR A 35 4.359 -11.645 -1.655 1.00 0.00 C ATOM 550 O THR A 35 3.407 -11.583 -0.872 1.00 0.00 O ATOM 551 CB THR A 35 3.418 -12.732 -3.699 1.00 0.00 C ATOM 552 OG1 THR A 35 2.600 -13.913 -3.665 1.00 0.00 O ATOM 553 CG2 THR A 35 4.039 -12.584 -5.080 1.00 0.00 C ATOM 0 H THR A 35 3.513 -14.282 -1.511 1.00 0.00 H new ATOM 0 HA THR A 35 5.468 -12.772 -3.120 1.00 0.00 H new ATOM 0 HB THR A 35 2.803 -11.855 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.909 -13.853 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.250 -12.529 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.637 -11.673 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.676 -13.444 -5.287 1.00 0.00 H new ATOM 561 N VAL A 36 5.323 -10.750 -1.683 1.00 0.00 N ATOM 562 CA VAL A 36 5.314 -9.598 -0.799 1.00 0.00 C ATOM 563 C VAL A 36 4.439 -8.490 -1.365 1.00 0.00 C ATOM 564 O VAL A 36 4.844 -7.776 -2.285 1.00 0.00 O ATOM 565 CB VAL A 36 6.732 -9.050 -0.544 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.743 -8.166 0.691 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.734 -10.184 -0.393 1.00 0.00 C ATOM 0 H VAL A 36 6.127 -10.796 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 36 4.905 -9.937 0.153 1.00 0.00 H new ATOM 0 HB VAL A 36 7.025 -8.451 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.751 -7.787 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.060 -7.329 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.426 -8.747 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.727 -9.771 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.446 -10.814 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.748 -10.781 -1.305 1.00 0.00 H new ATOM 577 N HIS A 37 3.241 -8.366 -0.813 1.00 0.00 N ATOM 578 CA HIS A 37 2.296 -7.349 -1.245 1.00 0.00 C ATOM 579 C HIS A 37 2.044 -6.368 -0.109 1.00 0.00 C ATOM 580 O HIS A 37 2.634 -6.490 0.968 1.00 0.00 O ATOM 581 CB HIS A 37 0.967 -7.980 -1.674 1.00 0.00 C ATOM 582 CG HIS A 37 1.064 -8.895 -2.859 1.00 0.00 C ATOM 583 ND1 HIS A 37 1.763 -8.544 -3.989 1.00 0.00 N ATOM 584 CD2 HIS A 37 0.534 -10.130 -3.036 1.00 0.00 C ATOM 585 CE1 HIS A 37 1.646 -9.564 -4.821 1.00 0.00 C ATOM 586 NE2 HIS A 37 0.910 -10.547 -4.287 1.00 0.00 N ATOM 0 H HIS A 37 2.899 -8.962 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 37 2.725 -6.826 -2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.557 -8.539 -0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.259 -7.184 -1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.068 -10.680 -2.328 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.088 -9.600 -5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.674 -11.436 -4.727 1.00 0.00 H new ATOM 594 N HIS A 38 1.129 -5.438 -0.332 1.00 0.00 N ATOM 595 CA HIS A 38 0.788 -4.435 0.667 1.00 0.00 C ATOM 596 C HIS A 38 -0.669 -4.052 0.516 1.00 0.00 C ATOM 597 O HIS A 38 -1.227 -4.123 -0.581 1.00 0.00 O ATOM 598 CB HIS A 38 1.653 -3.175 0.518 1.00 0.00 C ATOM 599 CG HIS A 38 3.104 -3.394 0.794 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.565 -3.670 2.053 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.143 -3.393 -0.066 1.00 0.00 C ATOM 602 CE1 HIS A 38 4.865 -3.840 1.930 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.265 -3.684 0.663 1.00 0.00 N ATOM 0 H HIS A 38 0.605 -5.356 -1.203 1.00 0.00 H new ATOM 0 HA HIS A 38 0.972 -4.864 1.652 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.541 -2.789 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.277 -2.408 1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.098 -3.200 -1.128 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.526 -4.076 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.218 -3.766 0.310 1.00 0.00 H new ATOM 611 N MET A 39 -1.275 -3.611 1.603 1.00 0.00 N ATOM 612 CA MET A 39 -2.680 -3.240 1.592 1.00 0.00 C ATOM 613 C MET A 39 -2.931 -2.127 2.590 1.00 0.00 C ATOM 614 O MET A 39 -2.345 -2.107 3.674 1.00 0.00 O ATOM 615 CB MET A 39 -3.575 -4.435 1.960 1.00 0.00 C ATOM 616 CG MET A 39 -3.436 -5.638 1.040 1.00 0.00 C ATOM 617 SD MET A 39 -4.825 -6.783 1.164 1.00 0.00 S ATOM 618 CE MET A 39 -4.787 -7.180 2.911 1.00 0.00 C ATOM 0 H MET A 39 -0.816 -3.500 2.507 1.00 0.00 H new ATOM 0 HA MET A 39 -2.924 -2.908 0.583 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.344 -4.745 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.615 -4.108 1.955 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.348 -5.293 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.513 -6.167 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.294 -8.130 3.079 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.752 -7.257 3.244 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.292 -6.395 3.474 1.00 0.00 H new ATOM 628 N VAL A 40 -3.783 -1.189 2.214 1.00 0.00 N ATOM 629 CA VAL A 40 -4.112 -0.084 3.087 1.00 0.00 C ATOM 630 C VAL A 40 -4.998 -0.579 4.227 1.00 0.00 C ATOM 631 O VAL A 40 -6.183 -0.871 4.049 1.00 0.00 O ATOM 632 CB VAL A 40 -4.773 1.083 2.321 1.00 0.00 C ATOM 633 CG1 VAL A 40 -5.879 0.586 1.405 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.298 2.131 3.292 1.00 0.00 C ATOM 0 H VAL A 40 -4.257 -1.173 1.311 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.186 0.311 3.505 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.012 1.548 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.324 1.431 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.464 -0.114 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.644 0.083 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.760 2.945 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.038 1.678 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.472 2.522 3.887 1.00 0.00 H new ATOM 644 N TRP A 41 -4.384 -0.696 5.389 1.00 0.00 N ATOM 645 CA TRP A 41 -5.053 -1.185 6.583 1.00 0.00 C ATOM 646 C TRP A 41 -6.066 -0.186 7.099 1.00 0.00 C ATOM 647 O TRP A 41 -7.182 -0.542 7.473 1.00 0.00 O ATOM 648 CB TRP A 41 -4.017 -1.452 7.663 1.00 0.00 C ATOM 649 CG TRP A 41 -4.379 -2.575 8.573 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.313 -2.567 9.931 1.00 0.00 C ATOM 651 CD2 TRP A 41 -4.866 -3.870 8.196 1.00 0.00 C ATOM 652 NE1 TRP A 41 -4.717 -3.777 10.427 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.069 -4.595 9.385 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.150 -4.489 6.974 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -5.543 -5.904 9.385 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -5.621 -5.785 6.977 1.00 0.00 C ATOM 657 CH2 TRP A 41 -5.816 -6.480 8.177 1.00 0.00 C ATOM 0 H TRP A 41 -3.404 -0.454 5.534 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.581 -2.103 6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.060 -1.673 7.190 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.879 -0.547 8.254 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.989 -1.729 10.530 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -4.751 -4.030 11.415 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.003 -3.961 6.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.690 -6.445 10.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.843 -6.272 6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.190 -7.493 8.147 1.00 0.00 H new ATOM 668 N HIS A 42 -5.668 1.066 7.090 1.00 0.00 N ATOM 669 CA HIS A 42 -6.518 2.139 7.571 1.00 0.00 C ATOM 670 C HIS A 42 -6.127 3.441 6.923 1.00 0.00 C ATOM 671 O HIS A 42 -4.950 3.770 6.849 1.00 0.00 O ATOM 672 CB HIS A 42 -6.364 2.286 9.080 1.00 0.00 C ATOM 673 CG HIS A 42 -7.638 2.626 9.796 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.294 1.702 10.575 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.329 3.792 9.817 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.364 2.320 11.044 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.426 3.586 10.612 1.00 0.00 N ATOM 0 H HIS A 42 -4.755 1.371 6.753 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.551 1.897 7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.969 1.355 9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.626 3.062 9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.066 4.706 9.306 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.096 1.862 11.693 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.152 4.268 10.833 1.00 0.00 H new ATOM 685 N VAL A 43 -7.107 4.164 6.435 1.00 0.00 N ATOM 686 CA VAL A 43 -6.845 5.436 5.808 1.00 0.00 C ATOM 687 C VAL A 43 -7.720 6.525 6.422 1.00 0.00 C ATOM 688 O VAL A 43 -8.927 6.355 6.608 1.00 0.00 O ATOM 689 CB VAL A 43 -7.019 5.354 4.278 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.361 4.782 3.914 1.00 0.00 C ATOM 691 CG2 VAL A 43 -6.825 6.702 3.622 1.00 0.00 C ATOM 0 H VAL A 43 -8.090 3.894 6.460 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.804 5.702 5.994 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.246 4.684 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.455 4.736 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.453 3.778 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.149 5.416 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.955 6.604 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.559 7.406 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.821 7.069 3.834 1.00 0.00 H new ATOM 701 N GLU A 44 -7.067 7.611 6.791 1.00 0.00 N ATOM 702 CA GLU A 44 -7.701 8.752 7.407 1.00 0.00 C ATOM 703 C GLU A 44 -8.639 9.464 6.446 1.00 0.00 C ATOM 704 O GLU A 44 -8.204 10.055 5.453 1.00 0.00 O ATOM 705 CB GLU A 44 -6.629 9.713 7.890 1.00 0.00 C ATOM 706 CG GLU A 44 -5.968 9.293 9.188 1.00 0.00 C ATOM 707 CD GLU A 44 -4.949 10.304 9.662 1.00 0.00 C ATOM 708 OE1 GLU A 44 -3.781 10.212 9.242 1.00 0.00 O ATOM 709 OE2 GLU A 44 -5.315 11.201 10.450 1.00 0.00 O ATOM 0 H GLU A 44 -6.061 7.723 6.667 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.300 8.400 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.865 9.807 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.072 10.700 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.730 9.160 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.482 8.327 9.051 1.00 0.00 H new ATOM 716 N ASP A 45 -9.920 9.439 6.771 1.00 0.00 N ATOM 717 CA ASP A 45 -10.945 10.077 5.957 1.00 0.00 C ATOM 718 C ASP A 45 -11.059 11.560 6.300 1.00 0.00 C ATOM 719 O ASP A 45 -12.143 12.143 6.264 1.00 0.00 O ATOM 720 CB ASP A 45 -12.293 9.371 6.156 1.00 0.00 C ATOM 721 CG ASP A 45 -12.736 9.317 7.609 1.00 0.00 C ATOM 722 OD1 ASP A 45 -11.977 8.783 8.452 1.00 0.00 O ATOM 723 OD2 ASP A 45 -13.850 9.791 7.916 1.00 0.00 O ATOM 0 H ASP A 45 -10.281 8.977 7.606 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.659 9.993 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.055 9.886 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.224 8.355 5.767 1.00 0.00 H new ATOM 728 N GLY A 46 -9.923 12.168 6.605 1.00 0.00 N ATOM 729 CA GLY A 46 -9.901 13.567 6.969 1.00 0.00 C ATOM 730 C GLY A 46 -9.460 14.482 5.845 1.00 0.00 C ATOM 731 O GLY A 46 -9.839 15.654 5.815 1.00 0.00 O ATOM 0 H GLY A 46 -9.010 11.713 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.897 13.864 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.232 13.702 7.819 1.00 0.00 H new ATOM 735 N GLY A 47 -8.673 13.969 4.911 1.00 0.00 N ATOM 736 CA GLY A 47 -8.206 14.813 3.832 1.00 0.00 C ATOM 737 C GLY A 47 -7.313 14.115 2.822 1.00 0.00 C ATOM 738 O GLY A 47 -7.588 14.185 1.627 1.00 0.00 O ATOM 0 H GLY A 47 -8.354 13.001 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.070 15.224 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.661 15.655 4.258 1.00 0.00 H new ATOM 742 N PRO A 48 -6.217 13.467 3.267 1.00 0.00 N ATOM 743 CA PRO A 48 -5.259 12.773 2.376 1.00 0.00 C ATOM 744 C PRO A 48 -5.832 11.656 1.478 1.00 0.00 C ATOM 745 O PRO A 48 -6.823 11.842 0.770 1.00 0.00 O ATOM 746 CB PRO A 48 -4.265 12.178 3.367 1.00 0.00 C ATOM 747 CG PRO A 48 -4.311 13.085 4.527 1.00 0.00 C ATOM 748 CD PRO A 48 -5.758 13.405 4.676 1.00 0.00 C ATOM 0 HA PRO A 48 -4.860 13.477 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.544 11.162 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.263 12.128 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.913 12.608 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.719 13.984 4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.287 12.639 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.914 14.350 5.196 1.00 0.00 H new ATOM 756 N ALA A 49 -5.167 10.494 1.527 1.00 0.00 N ATOM 757 CA ALA A 49 -5.496 9.327 0.709 1.00 0.00 C ATOM 758 C ALA A 49 -6.992 9.024 0.609 1.00 0.00 C ATOM 759 O ALA A 49 -7.490 8.762 -0.483 1.00 0.00 O ATOM 760 CB ALA A 49 -4.719 8.104 1.219 1.00 0.00 C ATOM 0 H ALA A 49 -4.373 10.340 2.148 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.191 9.569 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.966 7.236 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.649 8.300 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.991 7.907 2.256 1.00 0.00 H new ATOM 766 N SER A 50 -7.718 9.110 1.714 1.00 0.00 N ATOM 767 CA SER A 50 -9.144 8.785 1.702 1.00 0.00 C ATOM 768 C SER A 50 -9.950 9.701 0.786 1.00 0.00 C ATOM 769 O SER A 50 -10.551 9.244 -0.188 1.00 0.00 O ATOM 770 CB SER A 50 -9.713 8.856 3.110 1.00 0.00 C ATOM 771 OG SER A 50 -9.870 7.565 3.670 1.00 0.00 O ATOM 0 H SER A 50 -7.353 9.398 2.622 1.00 0.00 H new ATOM 0 HA SER A 50 -9.229 7.771 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.052 9.450 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.677 9.365 3.089 1.00 0.00 H new ATOM 0 HG SER A 50 -10.236 7.644 4.576 1.00 0.00 H new ATOM 777 N GLU A 51 -9.955 10.991 1.102 1.00 0.00 N ATOM 778 CA GLU A 51 -10.712 11.974 0.326 1.00 0.00 C ATOM 779 C GLU A 51 -10.209 12.043 -1.110 1.00 0.00 C ATOM 780 O GLU A 51 -10.931 12.461 -2.016 1.00 0.00 O ATOM 781 CB GLU A 51 -10.637 13.346 0.994 1.00 0.00 C ATOM 782 CG GLU A 51 -11.146 13.341 2.430 1.00 0.00 C ATOM 783 CD GLU A 51 -12.482 14.037 2.589 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.528 13.372 2.438 1.00 0.00 O ATOM 785 OE2 GLU A 51 -12.494 15.254 2.872 1.00 0.00 O ATOM 0 H GLU A 51 -9.443 11.384 1.892 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.755 11.658 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.604 13.693 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.219 14.060 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.237 12.311 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.411 13.827 3.071 1.00 0.00 H new ATOM 792 N ALA A 52 -8.968 11.622 -1.302 1.00 0.00 N ATOM 793 CA ALA A 52 -8.349 11.607 -2.617 1.00 0.00 C ATOM 794 C ALA A 52 -8.966 10.516 -3.492 1.00 0.00 C ATOM 795 O ALA A 52 -8.935 10.602 -4.720 1.00 0.00 O ATOM 796 CB ALA A 52 -6.854 11.390 -2.471 1.00 0.00 C ATOM 0 H ALA A 52 -8.364 11.283 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.525 12.567 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.390 11.379 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.425 12.198 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.671 10.438 -1.973 1.00 0.00 H new ATOM 802 N GLY A 53 -9.525 9.490 -2.854 1.00 0.00 N ATOM 803 CA GLY A 53 -10.141 8.407 -3.591 1.00 0.00 C ATOM 804 C GLY A 53 -9.803 7.039 -3.029 1.00 0.00 C ATOM 805 O GLY A 53 -10.443 6.046 -3.380 1.00 0.00 O ATOM 0 H GLY A 53 -9.561 9.392 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.223 8.539 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.821 8.455 -4.632 1.00 0.00 H new ATOM 809 N LEU A 54 -8.785 6.980 -2.178 1.00 0.00 N ATOM 810 CA LEU A 54 -8.366 5.722 -1.571 1.00 0.00 C ATOM 811 C LEU A 54 -9.407 5.228 -0.581 1.00 0.00 C ATOM 812 O LEU A 54 -9.642 5.849 0.457 1.00 0.00 O ATOM 813 CB LEU A 54 -7.008 5.869 -0.873 1.00 0.00 C ATOM 814 CG LEU A 54 -6.240 4.569 -0.635 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.808 4.855 -0.234 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.920 3.746 0.428 1.00 0.00 C ATOM 0 H LEU A 54 -8.234 7.790 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.265 4.988 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.384 6.534 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.166 6.357 0.089 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.231 4.005 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.281 3.915 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.313 5.415 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.798 5.442 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.362 2.823 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.957 4.312 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.934 3.506 0.109 1.00 0.00 H new ATOM 828 N ARG A 55 -10.031 4.119 -0.919 1.00 0.00 N ATOM 829 CA ARG A 55 -11.023 3.513 -0.053 1.00 0.00 C ATOM 830 C ARG A 55 -10.359 2.460 0.825 1.00 0.00 C ATOM 831 O ARG A 55 -9.685 1.563 0.317 1.00 0.00 O ATOM 832 CB ARG A 55 -12.183 2.905 -0.861 1.00 0.00 C ATOM 833 CG ARG A 55 -11.829 2.495 -2.287 1.00 0.00 C ATOM 834 CD ARG A 55 -11.113 1.154 -2.331 1.00 0.00 C ATOM 835 NE ARG A 55 -12.023 0.041 -2.049 1.00 0.00 N ATOM 836 CZ ARG A 55 -11.968 -1.146 -2.651 1.00 0.00 C ATOM 837 NH1 ARG A 55 -11.005 -1.420 -3.527 1.00 0.00 N ATOM 838 NH2 ARG A 55 -12.865 -2.075 -2.352 1.00 0.00 N ATOM 0 H ARG A 55 -9.868 3.616 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.449 4.290 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.557 2.030 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.998 3.628 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.738 2.441 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.196 3.259 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.662 1.015 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.300 1.152 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.747 0.185 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.298 -0.717 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.974 -2.333 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.592 -1.879 -1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.828 -2.986 -2.810 1.00 0.00 H new ATOM 852 N GLN A 56 -10.500 2.604 2.138 1.00 0.00 N ATOM 853 CA GLN A 56 -9.931 1.652 3.085 1.00 0.00 C ATOM 854 C GLN A 56 -10.277 0.218 2.704 1.00 0.00 C ATOM 855 O GLN A 56 -11.424 -0.100 2.388 1.00 0.00 O ATOM 856 CB GLN A 56 -10.418 1.951 4.493 1.00 0.00 C ATOM 857 CG GLN A 56 -9.724 1.137 5.543 1.00 0.00 C ATOM 858 CD GLN A 56 -9.834 1.747 6.920 1.00 0.00 C ATOM 859 OE1 GLN A 56 -9.781 2.965 7.078 1.00 0.00 O ATOM 860 NE2 GLN A 56 -9.996 0.907 7.926 1.00 0.00 N ATOM 0 H GLN A 56 -11.006 3.375 2.573 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.847 1.758 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.268 3.010 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.490 1.764 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.150 0.134 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.672 1.032 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.035 -0.097 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.083 1.262 8.878 1.00 0.00 H new ATOM 869 N GLY A 57 -9.275 -0.645 2.753 1.00 0.00 N ATOM 870 CA GLY A 57 -9.476 -2.030 2.398 1.00 0.00 C ATOM 871 C GLY A 57 -9.239 -2.269 0.923 1.00 0.00 C ATOM 872 O GLY A 57 -10.140 -2.701 0.200 1.00 0.00 O ATOM 0 H GLY A 57 -8.323 -0.408 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.802 -2.657 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.492 -2.328 2.656 1.00 0.00 H new ATOM 876 N ASP A 58 -8.022 -1.991 0.484 1.00 0.00 N ATOM 877 CA ASP A 58 -7.630 -2.164 -0.910 1.00 0.00 C ATOM 878 C ASP A 58 -6.213 -2.714 -0.970 1.00 0.00 C ATOM 879 O ASP A 58 -5.426 -2.524 -0.040 1.00 0.00 O ATOM 880 CB ASP A 58 -7.713 -0.835 -1.664 1.00 0.00 C ATOM 881 CG ASP A 58 -7.988 -1.027 -3.145 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.532 -2.041 -3.713 1.00 0.00 O ATOM 883 OD2 ASP A 58 -8.655 -0.156 -3.749 1.00 0.00 O ATOM 0 H ASP A 58 -7.275 -1.638 1.083 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.314 -2.867 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.501 -0.221 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.777 -0.290 -1.538 1.00 0.00 H new ATOM 888 N LEU A 59 -5.896 -3.385 -2.060 1.00 0.00 N ATOM 889 CA LEU A 59 -4.584 -3.977 -2.249 1.00 0.00 C ATOM 890 C LEU A 59 -3.758 -3.117 -3.196 1.00 0.00 C ATOM 891 O LEU A 59 -4.185 -2.814 -4.310 1.00 0.00 O ATOM 892 CB LEU A 59 -4.729 -5.409 -2.787 1.00 0.00 C ATOM 893 CG LEU A 59 -3.484 -6.006 -3.445 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.431 -6.343 -2.404 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.854 -7.243 -4.251 1.00 0.00 C ATOM 0 H LEU A 59 -6.538 -3.536 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.066 -4.023 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.027 -6.057 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.542 -5.423 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.064 -5.262 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.555 -6.766 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.145 -5.437 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.836 -7.068 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.958 -7.657 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.299 -7.988 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.570 -6.971 -5.026 1.00 0.00 H new ATOM 907 N ILE A 60 -2.580 -2.719 -2.744 1.00 0.00 N ATOM 908 CA ILE A 60 -1.697 -1.883 -3.540 1.00 0.00 C ATOM 909 C ILE A 60 -0.897 -2.737 -4.512 1.00 0.00 C ATOM 910 O ILE A 60 -0.205 -3.673 -4.111 1.00 0.00 O ATOM 911 CB ILE A 60 -0.732 -1.051 -2.660 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.498 0.001 -1.854 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.316 -0.367 -3.524 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.228 -0.539 -0.644 1.00 0.00 C ATOM 0 H ILE A 60 -2.212 -2.963 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.326 -1.187 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.238 -1.732 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.797 0.769 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.220 0.487 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.987 0.214 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.889 -1.120 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.176 0.296 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.742 0.277 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.957 -1.285 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.512 -0.998 0.038 1.00 0.00 H new ATOM 926 N THR A 61 -1.022 -2.426 -5.789 1.00 0.00 N ATOM 927 CA THR A 61 -0.314 -3.154 -6.821 1.00 0.00 C ATOM 928 C THR A 61 0.922 -2.378 -7.277 1.00 0.00 C ATOM 929 O THR A 61 1.954 -2.968 -7.614 1.00 0.00 O ATOM 930 CB THR A 61 -1.233 -3.416 -8.032 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.566 -2.178 -8.676 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.512 -4.114 -7.595 1.00 0.00 C ATOM 0 H THR A 61 -1.611 -1.669 -6.136 1.00 0.00 H new ATOM 0 HA THR A 61 0.000 -4.109 -6.400 1.00 0.00 H new ATOM 0 HB THR A 61 -0.698 -4.059 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.860 -1.940 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.146 -4.289 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.265 -5.067 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.043 -3.486 -6.879 1.00 0.00 H new ATOM 940 N HIS A 62 0.811 -1.052 -7.277 1.00 0.00 N ATOM 941 CA HIS A 62 1.903 -0.186 -7.710 1.00 0.00 C ATOM 942 C HIS A 62 1.924 1.110 -6.911 1.00 0.00 C ATOM 943 O HIS A 62 0.943 1.471 -6.261 1.00 0.00 O ATOM 944 CB HIS A 62 1.762 0.166 -9.199 1.00 0.00 C ATOM 945 CG HIS A 62 1.812 -1.009 -10.131 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.664 -1.655 -10.533 1.00 0.00 N ATOM 947 CD2 HIS A 62 2.881 -1.610 -10.705 1.00 0.00 C ATOM 948 CE1 HIS A 62 1.059 -2.627 -11.336 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.393 -2.640 -11.471 1.00 0.00 N ATOM 0 H HIS A 62 -0.028 -0.553 -6.981 1.00 0.00 H new ATOM 0 HA HIS A 62 2.831 -0.733 -7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.817 0.689 -9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.556 0.861 -9.470 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.918 -1.333 -10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.392 -3.323 -11.822 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.940 -3.290 -12.035 1.00 0.00 H new ATOM 957 N VAL A 63 3.048 1.796 -6.958 1.00 0.00 N ATOM 958 CA VAL A 63 3.202 3.071 -6.286 1.00 0.00 C ATOM 959 C VAL A 63 4.117 3.977 -7.107 1.00 0.00 C ATOM 960 O VAL A 63 5.289 3.668 -7.313 1.00 0.00 O ATOM 961 CB VAL A 63 3.743 2.909 -4.847 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.093 2.206 -4.823 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.819 4.261 -4.149 1.00 0.00 C ATOM 0 H VAL A 63 3.879 1.486 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 63 2.216 3.529 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 63 3.043 2.276 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.436 2.113 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.994 1.214 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.816 2.787 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.202 4.127 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.485 4.921 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.824 4.704 -4.105 1.00 0.00 H new ATOM 973 N ASN A 64 3.559 5.073 -7.614 1.00 0.00 N ATOM 974 CA ASN A 64 4.312 6.029 -8.429 1.00 0.00 C ATOM 975 C ASN A 64 4.918 5.342 -9.645 1.00 0.00 C ATOM 976 O ASN A 64 5.991 5.725 -10.123 1.00 0.00 O ATOM 977 CB ASN A 64 5.419 6.684 -7.604 1.00 0.00 C ATOM 978 CG ASN A 64 5.140 8.141 -7.308 1.00 0.00 C ATOM 979 OD1 ASN A 64 3.989 8.553 -7.151 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.193 8.935 -7.235 1.00 0.00 N ATOM 0 H ASN A 64 2.580 5.325 -7.475 1.00 0.00 H new ATOM 0 HA ASN A 64 3.619 6.799 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.536 6.142 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.364 6.601 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.070 9.929 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.129 8.554 -7.371 1.00 0.00 H new ATOM 987 N GLY A 65 4.218 4.337 -10.152 1.00 0.00 N ATOM 988 CA GLY A 65 4.708 3.596 -11.291 1.00 0.00 C ATOM 989 C GLY A 65 5.921 2.773 -10.920 1.00 0.00 C ATOM 990 O GLY A 65 6.932 2.784 -11.622 1.00 0.00 O ATOM 0 H GLY A 65 3.317 4.023 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.922 2.942 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.964 4.286 -12.095 1.00 0.00 H new ATOM 994 N GLU A 66 5.810 2.063 -9.807 1.00 0.00 N ATOM 995 CA GLU A 66 6.877 1.238 -9.296 1.00 0.00 C ATOM 996 C GLU A 66 6.302 0.047 -8.544 1.00 0.00 C ATOM 997 O GLU A 66 5.809 0.192 -7.424 1.00 0.00 O ATOM 998 CB GLU A 66 7.739 2.068 -8.354 1.00 0.00 C ATOM 999 CG GLU A 66 9.227 1.768 -8.445 1.00 0.00 C ATOM 1000 CD GLU A 66 9.762 1.901 -9.853 1.00 0.00 C ATOM 1001 OE1 GLU A 66 9.967 3.047 -10.310 1.00 0.00 O ATOM 1002 OE2 GLU A 66 9.981 0.861 -10.509 1.00 0.00 O ATOM 0 H GLU A 66 4.967 2.048 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 66 7.481 0.872 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.579 3.125 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.407 1.897 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.771 2.446 -7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.413 0.757 -8.084 1.00 0.00 H new ATOM 1009 N PRO A 67 6.266 -1.113 -9.217 1.00 0.00 N ATOM 1010 CA PRO A 67 5.800 -2.370 -8.661 1.00 0.00 C ATOM 1011 C PRO A 67 6.173 -2.534 -7.199 1.00 0.00 C ATOM 1012 O PRO A 67 7.344 -2.463 -6.817 1.00 0.00 O ATOM 1013 CB PRO A 67 6.531 -3.407 -9.506 1.00 0.00 C ATOM 1014 CG PRO A 67 6.730 -2.756 -10.832 1.00 0.00 C ATOM 1015 CD PRO A 67 6.639 -1.264 -10.616 1.00 0.00 C ATOM 0 HA PRO A 67 4.713 -2.451 -8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.484 -3.682 -9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.947 -4.322 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.699 -3.025 -11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.972 -3.089 -11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.590 -0.775 -10.827 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.896 -0.814 -11.274 1.00 0.00 H new ATOM 1023 N VAL A 68 5.162 -2.764 -6.397 1.00 0.00 N ATOM 1024 CA VAL A 68 5.340 -2.934 -4.960 1.00 0.00 C ATOM 1025 C VAL A 68 5.651 -4.377 -4.671 1.00 0.00 C ATOM 1026 O VAL A 68 6.025 -4.760 -3.566 1.00 0.00 O ATOM 1027 CB VAL A 68 4.093 -2.515 -4.160 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.818 -1.030 -4.332 1.00 0.00 C ATOM 1029 CG2 VAL A 68 2.886 -3.341 -4.572 1.00 0.00 C ATOM 0 H VAL A 68 4.195 -2.840 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 68 6.161 -2.288 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 68 4.286 -2.703 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.933 -0.755 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.674 -0.458 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.650 -0.811 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.016 -3.028 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.689 -3.192 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.086 -4.396 -4.384 1.00 0.00 H new ATOM 1039 N HIS A 69 5.461 -5.153 -5.704 1.00 0.00 N ATOM 1040 CA HIS A 69 5.682 -6.561 -5.705 1.00 0.00 C ATOM 1041 C HIS A 69 7.113 -6.898 -5.294 1.00 0.00 C ATOM 1042 O HIS A 69 8.037 -6.826 -6.109 1.00 0.00 O ATOM 1043 CB HIS A 69 5.377 -7.036 -7.110 1.00 0.00 C ATOM 1044 CG HIS A 69 3.918 -7.247 -7.366 1.00 0.00 C ATOM 1045 ND1 HIS A 69 3.478 -8.077 -8.367 1.00 0.00 N ATOM 1046 CD2 HIS A 69 2.846 -6.706 -6.736 1.00 0.00 C ATOM 1047 CE1 HIS A 69 2.158 -8.025 -8.327 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.728 -7.207 -7.355 1.00 0.00 N ATOM 0 H HIS A 69 5.134 -4.799 -6.603 1.00 0.00 H new ATOM 0 HA HIS A 69 5.041 -7.061 -4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.761 -6.306 -7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.908 -7.970 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.868 -6.014 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.508 -8.572 -8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.758 -6.998 -7.121 1.00 0.00 H new ATOM 1056 N GLY A 70 7.294 -7.245 -4.028 1.00 0.00 N ATOM 1057 CA GLY A 70 8.613 -7.580 -3.533 1.00 0.00 C ATOM 1058 C GLY A 70 9.163 -6.526 -2.592 1.00 0.00 C ATOM 1059 O GLY A 70 10.233 -6.709 -2.008 1.00 0.00 O ATOM 0 H GLY A 70 6.549 -7.301 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.571 -8.539 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.294 -7.702 -4.375 1.00 0.00 H new ATOM 1063 N LEU A 71 8.449 -5.414 -2.458 1.00 0.00 N ATOM 1064 CA LEU A 71 8.873 -4.335 -1.572 1.00 0.00 C ATOM 1065 C LEU A 71 8.536 -4.668 -0.128 1.00 0.00 C ATOM 1066 O LEU A 71 7.456 -5.178 0.157 1.00 0.00 O ATOM 1067 CB LEU A 71 8.190 -3.014 -1.944 1.00 0.00 C ATOM 1068 CG LEU A 71 8.645 -2.359 -3.252 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.052 -0.961 -3.381 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.161 -2.296 -3.324 1.00 0.00 C ATOM 0 H LEU A 71 7.574 -5.236 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 71 9.952 -4.226 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.116 -3.190 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.352 -2.305 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 71 8.287 -2.969 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.385 -0.509 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.964 -1.025 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.382 -0.347 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.462 -1.827 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.541 -1.710 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.570 -3.305 -3.276 1.00 0.00 H new ATOM 1082 N VAL A 72 9.453 -4.386 0.779 1.00 0.00 N ATOM 1083 CA VAL A 72 9.217 -4.630 2.191 1.00 0.00 C ATOM 1084 C VAL A 72 8.365 -3.491 2.764 1.00 0.00 C ATOM 1085 O VAL A 72 8.140 -2.486 2.086 1.00 0.00 O ATOM 1086 CB VAL A 72 10.556 -4.776 2.967 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.029 -3.447 3.539 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.439 -5.831 4.061 1.00 0.00 C ATOM 0 H VAL A 72 10.367 -3.988 0.564 1.00 0.00 H new ATOM 0 HA VAL A 72 8.678 -5.570 2.305 1.00 0.00 H new ATOM 0 HB VAL A 72 11.310 -5.106 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.968 -3.594 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.181 -2.735 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.277 -3.059 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.389 -5.914 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.657 -5.542 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.187 -6.793 3.614 1.00 0.00 H new ATOM 1098 N HIS A 73 7.889 -3.666 3.994 1.00 0.00 N ATOM 1099 CA HIS A 73 7.048 -2.675 4.678 1.00 0.00 C ATOM 1100 C HIS A 73 7.564 -1.251 4.515 1.00 0.00 C ATOM 1101 O HIS A 73 6.855 -0.358 4.069 1.00 0.00 O ATOM 1102 CB HIS A 73 6.999 -2.982 6.176 1.00 0.00 C ATOM 1103 CG HIS A 73 5.873 -2.305 6.899 1.00 0.00 C ATOM 1104 ND1 HIS A 73 4.559 -2.710 6.842 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.893 -1.224 7.719 1.00 0.00 C ATOM 1106 CE1 HIS A 73 3.839 -1.884 7.608 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.602 -0.967 8.164 1.00 0.00 N ATOM 0 H HIS A 73 8.074 -4.501 4.550 1.00 0.00 H new ATOM 0 HA HIS A 73 6.060 -2.742 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.910 -4.060 6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.943 -2.680 6.630 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.198 -3.501 6.309 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.772 -0.655 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.771 -1.959 7.752 1.00 0.00 H new ATOM 1115 N THR A 74 8.811 -1.062 4.874 1.00 0.00 N ATOM 1116 CA THR A 74 9.433 0.246 4.844 1.00 0.00 C ATOM 1117 C THR A 74 9.750 0.730 3.431 1.00 0.00 C ATOM 1118 O THR A 74 9.876 1.932 3.201 1.00 0.00 O ATOM 1119 CB THR A 74 10.713 0.200 5.693 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.731 -0.541 5.007 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.421 -0.480 7.025 1.00 0.00 C ATOM 0 H THR A 74 9.426 -1.809 5.196 1.00 0.00 H new ATOM 0 HA THR A 74 8.722 0.963 5.254 1.00 0.00 H new ATOM 0 HB THR A 74 11.057 1.220 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.544 -0.564 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.331 -0.511 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.653 0.080 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.070 -1.496 6.845 1.00 0.00 H new ATOM 1129 N GLU A 75 9.841 -0.188 2.481 1.00 0.00 N ATOM 1130 CA GLU A 75 10.159 0.181 1.114 1.00 0.00 C ATOM 1131 C GLU A 75 9.024 0.968 0.466 1.00 0.00 C ATOM 1132 O GLU A 75 9.278 1.956 -0.223 1.00 0.00 O ATOM 1133 CB GLU A 75 10.514 -1.051 0.295 1.00 0.00 C ATOM 1134 CG GLU A 75 11.978 -1.438 0.417 1.00 0.00 C ATOM 1135 CD GLU A 75 12.329 -2.699 -0.343 1.00 0.00 C ATOM 1136 OE1 GLU A 75 11.968 -3.797 0.124 1.00 0.00 O ATOM 1137 OE2 GLU A 75 12.990 -2.602 -1.397 1.00 0.00 O ATOM 0 H GLU A 75 9.700 -1.187 2.632 1.00 0.00 H new ATOM 0 HA GLU A 75 11.030 0.836 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.894 -1.887 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.278 -0.865 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.595 -0.618 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.224 -1.576 1.470 1.00 0.00 H new ATOM 1144 N VAL A 76 7.776 0.554 0.687 1.00 0.00 N ATOM 1145 CA VAL A 76 6.647 1.283 0.108 1.00 0.00 C ATOM 1146 C VAL A 76 6.549 2.666 0.730 1.00 0.00 C ATOM 1147 O VAL A 76 6.348 3.658 0.031 1.00 0.00 O ATOM 1148 CB VAL A 76 5.303 0.547 0.257 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.217 -0.568 -0.760 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.085 0.025 1.673 1.00 0.00 C ATOM 0 H VAL A 76 7.524 -0.260 1.247 1.00 0.00 H new ATOM 0 HA VAL A 76 6.844 1.361 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 76 4.503 1.263 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.264 -1.087 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.291 -0.151 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.034 -1.272 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.124 -0.486 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.882 -0.672 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.093 0.860 2.374 1.00 0.00 H new ATOM 1160 N VAL A 77 6.688 2.709 2.048 1.00 0.00 N ATOM 1161 CA VAL A 77 6.675 3.955 2.795 1.00 0.00 C ATOM 1162 C VAL A 77 7.708 4.919 2.213 1.00 0.00 C ATOM 1163 O VAL A 77 7.409 6.084 1.944 1.00 0.00 O ATOM 1164 CB VAL A 77 6.981 3.698 4.283 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.914 4.980 5.092 1.00 0.00 C ATOM 1166 CG2 VAL A 77 6.038 2.643 4.855 1.00 0.00 C ATOM 0 H VAL A 77 6.813 1.879 2.628 1.00 0.00 H new ATOM 0 HA VAL A 77 5.682 4.397 2.715 1.00 0.00 H new ATOM 0 HB VAL A 77 8.000 3.318 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.135 4.763 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.644 5.692 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.914 5.408 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.272 2.477 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.008 2.987 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.160 1.710 4.305 1.00 0.00 H new ATOM 1176 N GLU A 78 8.919 4.413 1.997 1.00 0.00 N ATOM 1177 CA GLU A 78 9.994 5.206 1.426 1.00 0.00 C ATOM 1178 C GLU A 78 9.652 5.644 0.011 1.00 0.00 C ATOM 1179 O GLU A 78 9.864 6.798 -0.348 1.00 0.00 O ATOM 1180 CB GLU A 78 11.290 4.411 1.422 1.00 0.00 C ATOM 1181 CG GLU A 78 11.949 4.348 2.780 1.00 0.00 C ATOM 1182 CD GLU A 78 13.325 3.723 2.731 1.00 0.00 C ATOM 1183 OE1 GLU A 78 13.968 3.767 1.660 1.00 0.00 O ATOM 1184 OE2 GLU A 78 13.777 3.191 3.767 1.00 0.00 O ATOM 0 H GLU A 78 9.178 3.450 2.212 1.00 0.00 H new ATOM 0 HA GLU A 78 10.122 6.096 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.087 3.398 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.982 4.859 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.026 5.355 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.318 3.775 3.460 1.00 0.00 H new ATOM 1191 N LEU A 79 9.139 4.713 -0.789 1.00 0.00 N ATOM 1192 CA LEU A 79 8.744 5.009 -2.166 1.00 0.00 C ATOM 1193 C LEU A 79 7.789 6.200 -2.186 1.00 0.00 C ATOM 1194 O LEU A 79 7.885 7.084 -3.041 1.00 0.00 O ATOM 1195 CB LEU A 79 8.065 3.791 -2.810 1.00 0.00 C ATOM 1196 CG LEU A 79 8.519 3.454 -4.239 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.224 4.604 -5.192 1.00 0.00 C ATOM 1198 CD2 LEU A 79 10.001 3.109 -4.257 1.00 0.00 C ATOM 0 H LEU A 79 8.986 3.745 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 79 9.640 5.251 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.243 2.922 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.989 3.962 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 79 7.956 2.585 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.555 4.339 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.152 4.801 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.753 5.497 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.307 2.873 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.577 3.960 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.182 2.247 -3.615 1.00 0.00 H new ATOM 1210 N ILE A 80 6.884 6.220 -1.216 1.00 0.00 N ATOM 1211 CA ILE A 80 5.913 7.281 -1.093 1.00 0.00 C ATOM 1212 C ILE A 80 6.572 8.587 -0.650 1.00 0.00 C ATOM 1213 O ILE A 80 6.411 9.621 -1.301 1.00 0.00 O ATOM 1214 CB ILE A 80 4.811 6.870 -0.104 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.897 5.837 -0.754 1.00 0.00 C ATOM 1216 CG2 ILE A 80 4.018 8.073 0.346 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.228 4.918 0.233 1.00 0.00 C ATOM 0 H ILE A 80 6.809 5.500 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 80 5.466 7.452 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 80 5.276 6.428 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.132 6.354 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.479 5.240 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.244 7.758 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.683 8.784 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.554 8.547 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.594 4.210 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.987 4.373 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.619 5.504 0.921 1.00 0.00 H new ATOM 1229 N LEU A 81 7.320 8.533 0.451 1.00 0.00 N ATOM 1230 CA LEU A 81 8.007 9.714 0.975 1.00 0.00 C ATOM 1231 C LEU A 81 8.949 10.316 -0.067 1.00 0.00 C ATOM 1232 O LEU A 81 9.066 11.540 -0.184 1.00 0.00 O ATOM 1233 CB LEU A 81 8.791 9.356 2.239 1.00 0.00 C ATOM 1234 CG LEU A 81 7.941 8.871 3.412 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.823 8.324 4.522 1.00 0.00 C ATOM 1236 CD2 LEU A 81 7.069 10.000 3.930 1.00 0.00 C ATOM 0 H LEU A 81 7.466 7.684 0.998 1.00 0.00 H new ATOM 0 HA LEU A 81 7.249 10.458 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.516 8.581 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.357 10.232 2.558 1.00 0.00 H new ATOM 0 HG LEU A 81 7.295 8.065 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.199 7.984 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.410 7.488 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.494 9.108 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.468 9.642 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.700 10.824 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.411 10.347 3.133 1.00 0.00 H new ATOM 1248 N LYS A 82 9.607 9.443 -0.819 1.00 0.00 N ATOM 1249 CA LYS A 82 10.541 9.841 -1.862 1.00 0.00 C ATOM 1250 C LYS A 82 9.867 10.696 -2.927 1.00 0.00 C ATOM 1251 O LYS A 82 10.461 11.642 -3.443 1.00 0.00 O ATOM 1252 CB LYS A 82 11.113 8.606 -2.517 1.00 0.00 C ATOM 1253 CG LYS A 82 12.424 8.842 -3.249 1.00 0.00 C ATOM 1254 CD LYS A 82 12.564 7.921 -4.452 1.00 0.00 C ATOM 1255 CE LYS A 82 12.770 6.473 -4.035 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.217 5.624 -5.171 1.00 0.00 N ATOM 0 H LYS A 82 9.506 8.433 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 82 11.329 10.433 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.267 7.842 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.382 8.210 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.478 9.880 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.258 8.680 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.672 7.997 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.406 8.247 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.510 6.428 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.839 6.076 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.345 4.645 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.500 5.646 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.119 5.986 -5.541 1.00 0.00 H new ATOM 1270 N SER A 83 8.629 10.347 -3.246 1.00 0.00 N ATOM 1271 CA SER A 83 7.854 11.059 -4.261 1.00 0.00 C ATOM 1272 C SER A 83 7.739 12.553 -3.950 1.00 0.00 C ATOM 1273 O SER A 83 7.815 13.385 -4.856 1.00 0.00 O ATOM 1274 CB SER A 83 6.460 10.437 -4.389 1.00 0.00 C ATOM 1275 OG SER A 83 5.707 11.066 -5.417 1.00 0.00 O ATOM 0 H SER A 83 8.133 9.568 -2.814 1.00 0.00 H new ATOM 0 HA SER A 83 8.384 10.962 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.553 9.372 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.931 10.527 -3.440 1.00 0.00 H new ATOM 0 HG SER A 83 4.972 11.576 -5.018 1.00 0.00 H new ATOM 1281 N GLY A 84 7.557 12.897 -2.680 1.00 0.00 N ATOM 1282 CA GLY A 84 7.453 14.296 -2.313 1.00 0.00 C ATOM 1283 C GLY A 84 6.194 14.611 -1.534 1.00 0.00 C ATOM 1284 O GLY A 84 5.749 13.811 -0.717 1.00 0.00 O ATOM 0 H GLY A 84 7.480 12.239 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.322 14.575 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.477 14.906 -3.216 1.00 0.00 H new ATOM 1288 N ASN A 85 5.599 15.765 -1.811 1.00 0.00 N ATOM 1289 CA ASN A 85 4.384 16.193 -1.111 1.00 0.00 C ATOM 1290 C ASN A 85 3.142 15.440 -1.580 1.00 0.00 C ATOM 1291 O ASN A 85 2.029 15.745 -1.162 1.00 0.00 O ATOM 1292 CB ASN A 85 4.157 17.698 -1.261 1.00 0.00 C ATOM 1293 CG ASN A 85 4.245 18.199 -2.691 1.00 0.00 C ATOM 1294 OD1 ASN A 85 4.182 17.427 -3.648 1.00 0.00 O ATOM 1295 ND2 ASN A 85 4.383 19.507 -2.842 1.00 0.00 N ATOM 0 H ASN A 85 5.934 16.424 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 85 4.543 15.956 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.175 17.948 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.893 18.228 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.441 19.909 -3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.431 20.113 -2.023 1.00 0.00 H new ATOM 1302 N LYS A 86 3.333 14.458 -2.439 1.00 0.00 N ATOM 1303 CA LYS A 86 2.242 13.653 -2.938 1.00 0.00 C ATOM 1304 C LYS A 86 2.766 12.373 -3.548 1.00 0.00 C ATOM 1305 O LYS A 86 3.972 12.219 -3.733 1.00 0.00 O ATOM 1306 CB LYS A 86 1.424 14.406 -3.970 1.00 0.00 C ATOM 1307 CG LYS A 86 2.225 15.084 -5.063 1.00 0.00 C ATOM 1308 CD LYS A 86 1.358 15.325 -6.285 1.00 0.00 C ATOM 1309 CE LYS A 86 2.105 16.073 -7.369 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.256 15.297 -7.900 1.00 0.00 N ATOM 0 H LYS A 86 4.248 14.198 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 86 1.597 13.416 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.725 13.710 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.829 15.161 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.621 16.032 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.080 14.465 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.010 14.369 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.473 15.892 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.420 16.306 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.463 17.023 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.653 15.787 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.987 15.212 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.935 14.348 -8.180 1.00 0.00 H new ATOM 1324 N VAL A 87 1.852 11.472 -3.876 1.00 0.00 N ATOM 1325 CA VAL A 87 2.233 10.176 -4.450 1.00 0.00 C ATOM 1326 C VAL A 87 1.046 9.442 -5.091 1.00 0.00 C ATOM 1327 O VAL A 87 -0.093 9.565 -4.642 1.00 0.00 O ATOM 1328 CB VAL A 87 2.873 9.276 -3.369 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.853 8.893 -2.306 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.506 8.035 -3.981 1.00 0.00 C ATOM 0 H VAL A 87 0.848 11.606 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 87 2.957 10.384 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 87 3.666 9.851 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.328 8.260 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.469 9.795 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.030 8.350 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.947 7.425 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.743 7.458 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.282 8.333 -4.686 1.00 0.00 H new ATOM 1340 N ALA A 88 1.340 8.694 -6.154 1.00 0.00 N ATOM 1341 CA ALA A 88 0.337 7.920 -6.890 1.00 0.00 C ATOM 1342 C ALA A 88 0.268 6.477 -6.403 1.00 0.00 C ATOM 1343 O ALA A 88 1.024 5.623 -6.863 1.00 0.00 O ATOM 1344 CB ALA A 88 0.643 7.942 -8.376 1.00 0.00 C ATOM 0 H ALA A 88 2.284 8.607 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.632 8.385 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.110 7.363 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.632 8.971 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.627 7.507 -8.551 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.634 6.201 -5.483 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.792 4.846 -4.961 1.00 0.00 C ATOM 1352 C ILE A 89 -1.785 4.054 -5.817 1.00 0.00 C ATOM 1353 O ILE A 89 -2.961 4.397 -5.893 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.234 4.841 -3.477 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.685 3.447 -3.051 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.343 5.849 -3.225 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.833 3.296 -1.554 1.00 0.00 C ATOM 0 H ILE A 89 -1.269 6.889 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 89 0.184 4.364 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.370 5.129 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.639 3.220 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.965 2.713 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.630 5.819 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.990 6.849 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.206 5.603 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.156 2.281 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.875 3.492 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.575 4.006 -1.188 1.00 0.00 H new ATOM 1369 N SER A 90 -1.311 2.998 -6.462 1.00 0.00 N ATOM 1370 CA SER A 90 -2.158 2.187 -7.326 1.00 0.00 C ATOM 1371 C SER A 90 -2.754 1.001 -6.572 1.00 0.00 C ATOM 1372 O SER A 90 -2.031 0.095 -6.155 1.00 0.00 O ATOM 1373 CB SER A 90 -1.338 1.694 -8.521 1.00 0.00 C ATOM 1374 OG SER A 90 -2.019 1.901 -9.748 1.00 0.00 O ATOM 0 H SER A 90 -0.343 2.682 -6.404 1.00 0.00 H new ATOM 0 HA SER A 90 -2.986 2.804 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.381 2.214 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.121 0.633 -8.400 1.00 0.00 H new ATOM 0 HG SER A 90 -1.465 1.576 -10.488 1.00 0.00 H new ATOM 1380 N THR A 91 -4.070 1.021 -6.391 1.00 0.00 N ATOM 1381 CA THR A 91 -4.763 -0.060 -5.707 1.00 0.00 C ATOM 1382 C THR A 91 -5.552 -0.889 -6.717 1.00 0.00 C ATOM 1383 O THR A 91 -5.541 -0.580 -7.908 1.00 0.00 O ATOM 1384 CB THR A 91 -5.706 0.474 -4.616 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.718 1.312 -5.186 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.937 1.249 -3.561 1.00 0.00 C ATOM 0 H THR A 91 -4.677 1.776 -6.710 1.00 0.00 H new ATOM 0 HA THR A 91 -4.014 -0.687 -5.223 1.00 0.00 H new ATOM 0 HB THR A 91 -6.180 -0.385 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.596 1.044 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.629 1.615 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.199 0.596 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.430 2.094 -4.027 1.00 0.00 H new ATOM 1394 N THR A 92 -6.247 -1.922 -6.260 1.00 0.00 N ATOM 1395 CA THR A 92 -6.993 -2.772 -7.176 1.00 0.00 C ATOM 1396 C THR A 92 -8.507 -2.676 -6.957 1.00 0.00 C ATOM 1397 O THR A 92 -9.050 -3.218 -5.988 1.00 0.00 O ATOM 1398 CB THR A 92 -6.516 -4.241 -7.095 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.347 -5.087 -7.896 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.506 -4.746 -5.663 1.00 0.00 C ATOM 0 H THR A 92 -6.310 -2.188 -5.277 1.00 0.00 H new ATOM 0 HA THR A 92 -6.790 -2.403 -8.181 1.00 0.00 H new ATOM 0 HB THR A 92 -5.496 -4.271 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.029 -6.012 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.166 -5.781 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.832 -4.132 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.513 -4.688 -5.250 1.00 0.00 H new ATOM 1408 N PRO A 93 -9.208 -1.954 -7.855 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.665 -1.798 -7.782 1.00 0.00 C ATOM 1410 C PRO A 93 -11.417 -3.129 -7.772 1.00 0.00 C ATOM 1411 O PRO A 93 -10.829 -4.198 -7.929 1.00 0.00 O ATOM 1412 CB PRO A 93 -11.017 -1.029 -9.056 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.763 -0.341 -9.464 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.625 -1.183 -8.973 1.00 0.00 C ATOM 0 HA PRO A 93 -10.951 -1.298 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.367 -1.703 -9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.817 -0.311 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.720 -0.227 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.715 0.660 -9.036 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.247 -1.840 -9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.788 -0.569 -8.641 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.728 -3.040 -7.614 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.595 -4.209 -7.575 1.00 0.00 C ATOM 1424 C LEU A 94 -13.606 -4.942 -8.915 1.00 0.00 C ATOM 1425 O LEU A 94 -13.220 -4.386 -9.948 1.00 0.00 O ATOM 1426 CB LEU A 94 -15.026 -3.794 -7.212 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.302 -2.292 -7.166 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.320 -1.725 -8.571 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.619 -2.016 -6.461 1.00 0.00 C ATOM 0 H LEU A 94 -13.223 -2.154 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 94 -13.202 -4.885 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.707 -4.245 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.268 -4.217 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.506 -1.805 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.517 -0.654 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.354 -1.897 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.102 -2.215 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.801 -0.941 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.429 -2.509 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.573 -2.399 -5.442 1.00 0.00 H new ATOM 1441 N GLU A 95 -14.056 -6.190 -8.886 1.00 0.00 N ATOM 1442 CA GLU A 95 -14.135 -7.013 -10.087 1.00 0.00 C ATOM 1443 C GLU A 95 -15.104 -8.167 -9.869 1.00 0.00 C ATOM 1444 O GLU A 95 -15.336 -8.588 -8.732 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.756 -7.555 -10.492 1.00 0.00 C ATOM 1446 CG GLU A 95 -12.242 -8.687 -9.615 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.509 -8.194 -8.389 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.565 -7.396 -8.536 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -11.864 -8.615 -7.268 1.00 0.00 O ATOM 0 H GLU A 95 -14.374 -6.658 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.499 -6.383 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.805 -7.905 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.036 -6.737 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.081 -9.309 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.575 -9.320 -10.201 1.00 0.00 H new ATOM 1456 N ASN A 96 -15.668 -8.670 -10.955 1.00 0.00 N ATOM 1457 CA ASN A 96 -16.616 -9.777 -10.882 1.00 0.00 C ATOM 1458 C ASN A 96 -15.882 -11.097 -10.699 1.00 0.00 C ATOM 1459 O ASN A 96 -14.682 -11.166 -11.044 1.00 0.00 O ATOM 1460 CB ASN A 96 -17.499 -9.839 -12.134 1.00 0.00 C ATOM 1461 CG ASN A 96 -16.704 -10.005 -13.414 1.00 0.00 C ATOM 1462 OD1 ASN A 96 -16.240 -11.096 -13.738 1.00 0.00 O ATOM 1463 ND2 ASN A 96 -16.567 -8.925 -14.162 1.00 0.00 N ATOM 1464 OXT ASN A 96 -16.503 -12.061 -10.206 1.00 0.00 O ATOM 0 H ASN A 96 -15.488 -8.331 -11.900 1.00 0.00 H new ATOM 0 HA ASN A 96 -17.259 -9.604 -10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -18.198 -10.669 -12.037 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -18.093 -8.927 -12.198 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -16.060 -8.978 -15.046 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -16.968 -8.038 -13.856 1.00 0.00 H new TER 1471 ASN A 96 ATOM 1472 N SER B 101 -4.964 -17.143 1.414 1.00 0.00 N ATOM 1473 CA SER B 101 -3.699 -17.456 2.112 1.00 0.00 C ATOM 1474 C SER B 101 -3.196 -16.245 2.891 1.00 0.00 C ATOM 1475 O SER B 101 -2.885 -15.204 2.304 1.00 0.00 O ATOM 1476 CB SER B 101 -2.652 -17.899 1.094 1.00 0.00 C ATOM 1477 OG SER B 101 -3.246 -18.701 0.087 1.00 0.00 O ATOM 0 HA SER B 101 -3.880 -18.264 2.821 1.00 0.00 H new ATOM 0 HB2 SER B 101 -2.184 -17.025 0.642 1.00 0.00 H new ATOM 0 HB3 SER B 101 -1.863 -18.460 1.595 1.00 0.00 H new ATOM 0 HG SER B 101 -4.206 -18.509 0.040 1.00 0.00 H new ATOM 1485 N TRP B 102 -3.134 -16.385 4.214 1.00 0.00 N ATOM 1486 CA TRP B 102 -2.668 -15.317 5.088 1.00 0.00 C ATOM 1487 C TRP B 102 -2.586 -15.811 6.528 1.00 0.00 C ATOM 1488 O TRP B 102 -3.600 -16.166 7.134 1.00 0.00 O ATOM 1489 CB TRP B 102 -3.604 -14.101 5.003 1.00 0.00 C ATOM 1490 CG TRP B 102 -3.113 -12.886 5.745 1.00 0.00 C ATOM 1491 CD1 TRP B 102 -1.986 -12.775 6.512 1.00 0.00 C ATOM 1492 CD2 TRP B 102 -3.743 -11.606 5.781 1.00 0.00 C ATOM 1493 NE1 TRP B 102 -1.892 -11.512 7.035 1.00 0.00 N ATOM 1494 CE2 TRP B 102 -2.956 -10.773 6.598 1.00 0.00 C ATOM 1495 CE3 TRP B 102 -4.902 -11.084 5.207 1.00 0.00 C ATOM 1496 CZ2 TRP B 102 -3.292 -9.447 6.850 1.00 0.00 C ATOM 1497 CZ3 TRP B 102 -5.232 -9.768 5.454 1.00 0.00 C ATOM 1498 CH2 TRP B 102 -4.430 -8.964 6.271 1.00 0.00 C ATOM 0 H TRP B 102 -3.404 -17.237 4.705 1.00 0.00 H new ATOM 0 HA TRP B 102 -1.674 -15.015 4.759 1.00 0.00 H new ATOM 0 HB2 TRP B 102 -3.745 -13.839 3.954 1.00 0.00 H new ATOM 0 HB3 TRP B 102 -4.581 -14.382 5.396 1.00 0.00 H new ATOM 0 HD1 TRP B 102 -1.273 -13.568 6.681 1.00 0.00 H new ATOM 0 HE1 TRP B 102 -1.150 -11.178 7.650 1.00 0.00 H new ATOM 0 HE3 TRP B 102 -5.530 -11.700 4.580 1.00 0.00 H new ATOM 0 HZ2 TRP B 102 -2.676 -8.823 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP B 102 -6.124 -9.351 5.010 1.00 0.00 H new ATOM 0 HH2 TRP B 102 -4.718 -7.938 6.448 1.00 0.00 H new ATOM 1509 N GLU B 103 -1.373 -15.843 7.064 1.00 0.00 N ATOM 1510 CA GLU B 103 -1.161 -16.270 8.437 1.00 0.00 C ATOM 1511 C GLU B 103 -1.307 -15.078 9.380 1.00 0.00 C ATOM 1512 O GLU B 103 -2.385 -14.828 9.923 1.00 0.00 O ATOM 1513 CB GLU B 103 0.221 -16.912 8.592 1.00 0.00 C ATOM 1514 CG GLU B 103 0.401 -18.167 7.759 1.00 0.00 C ATOM 1515 CD GLU B 103 1.655 -18.930 8.121 1.00 0.00 C ATOM 1516 OE1 GLU B 103 1.607 -19.741 9.069 1.00 0.00 O ATOM 1517 OE2 GLU B 103 2.692 -18.729 7.456 1.00 0.00 O ATOM 0 H GLU B 103 -0.522 -15.578 6.567 1.00 0.00 H new ATOM 0 HA GLU B 103 -1.913 -17.016 8.694 1.00 0.00 H new ATOM 0 HB2 GLU B 103 0.984 -16.186 8.311 1.00 0.00 H new ATOM 0 HB3 GLU B 103 0.384 -17.156 9.642 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.465 -18.815 7.893 1.00 0.00 H new ATOM 0 HG3 GLU B 103 0.437 -17.896 6.704 1.00 0.00 H new ATOM 1524 N SER B 104 -0.222 -14.339 9.562 1.00 0.00 N ATOM 1525 CA SER B 104 -0.220 -13.162 10.421 1.00 0.00 C ATOM 1526 C SER B 104 0.582 -12.045 9.754 1.00 0.00 C ATOM 1527 O SER B 104 0.809 -12.082 8.542 1.00 0.00 O ATOM 1528 CB SER B 104 0.374 -13.508 11.786 1.00 0.00 C ATOM 1529 OG SER B 104 -0.160 -14.730 12.283 1.00 0.00 O ATOM 0 H SER B 104 0.677 -14.536 9.122 1.00 0.00 H new ATOM 0 HA SER B 104 -1.245 -12.821 10.570 1.00 0.00 H new ATOM 0 HB2 SER B 104 1.458 -13.588 11.704 1.00 0.00 H new ATOM 0 HB3 SER B 104 0.166 -12.703 12.491 1.00 0.00 H new ATOM 0 HG SER B 104 0.237 -14.929 13.156 1.00 0.00 H new ATOM 1535 N HIS B 105 0.991 -11.051 10.528 1.00 0.00 N ATOM 1536 CA HIS B 105 1.775 -9.951 9.990 1.00 0.00 C ATOM 1537 C HIS B 105 3.173 -9.945 10.601 1.00 0.00 C ATOM 1538 O HIS B 105 3.383 -9.446 11.706 1.00 0.00 O ATOM 1539 CB HIS B 105 1.078 -8.604 10.233 1.00 0.00 C ATOM 1540 CG HIS B 105 1.884 -7.411 9.794 1.00 0.00 C ATOM 1541 ND1 HIS B 105 2.882 -7.521 8.855 1.00 0.00 N ATOM 1542 CD2 HIS B 105 1.819 -6.126 10.214 1.00 0.00 C ATOM 1543 CE1 HIS B 105 3.397 -6.313 8.730 1.00 0.00 C ATOM 1544 NE2 HIS B 105 2.788 -5.432 9.534 1.00 0.00 N ATOM 0 H HIS B 105 0.794 -10.984 11.526 1.00 0.00 H new ATOM 0 HA HIS B 105 1.864 -10.095 8.913 1.00 0.00 H new ATOM 0 HB2 HIS B 105 0.124 -8.599 9.705 1.00 0.00 H new ATOM 0 HB3 HIS B 105 0.855 -8.508 11.296 1.00 0.00 H new ATOM 0 HD2 HIS B 105 1.134 -5.723 10.946 1.00 0.00 H new ATOM 0 HE1 HIS B 105 4.209 -6.065 8.062 1.00 0.00 H new ATOM 0 HE2 HIS B 105 3.003 -4.439 9.623 1.00 0.00 H new ATOM 1552 N LYS B 106 4.119 -10.521 9.879 1.00 0.00 N ATOM 1553 CA LYS B 106 5.506 -10.564 10.317 1.00 0.00 C ATOM 1554 C LYS B 106 6.403 -10.104 9.180 1.00 0.00 C ATOM 1555 O LYS B 106 7.586 -10.442 9.118 1.00 0.00 O ATOM 1556 CB LYS B 106 5.894 -11.970 10.775 1.00 0.00 C ATOM 1557 CG LYS B 106 5.241 -12.381 12.084 1.00 0.00 C ATOM 1558 CD LYS B 106 5.886 -13.628 12.665 1.00 0.00 C ATOM 1559 CE LYS B 106 5.252 -14.013 13.994 1.00 0.00 C ATOM 1560 NZ LYS B 106 3.830 -14.414 13.837 1.00 0.00 N ATOM 0 H LYS B 106 3.950 -10.970 8.979 1.00 0.00 H new ATOM 0 HA LYS B 106 5.630 -9.896 11.169 1.00 0.00 H new ATOM 0 HB2 LYS B 106 5.618 -12.685 10.000 1.00 0.00 H new ATOM 0 HB3 LYS B 106 6.977 -12.022 10.886 1.00 0.00 H new ATOM 0 HG2 LYS B 106 5.317 -11.564 12.801 1.00 0.00 H new ATOM 0 HG3 LYS B 106 4.179 -12.563 11.920 1.00 0.00 H new ATOM 0 HD2 LYS B 106 5.786 -14.453 11.960 1.00 0.00 H new ATOM 0 HD3 LYS B 106 6.953 -13.456 12.805 1.00 0.00 H new ATOM 0 HE2 LYS B 106 5.813 -14.835 14.439 1.00 0.00 H new ATOM 0 HE3 LYS B 106 5.317 -13.172 14.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 106 3.481 -14.812 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 106 3.261 -13.582 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 106 3.752 -15.130 13.086 1.00 0.00 H new ATOM 1574 N SER B 107 5.813 -9.331 8.281 1.00 0.00 N ATOM 1575 CA SER B 107 6.515 -8.803 7.121 1.00 0.00 C ATOM 1576 C SER B 107 7.123 -7.436 7.426 1.00 0.00 C ATOM 1577 O SER B 107 7.681 -6.777 6.545 1.00 0.00 O ATOM 1578 CB SER B 107 5.543 -8.694 5.945 1.00 0.00 C ATOM 1579 OG SER B 107 4.330 -9.382 6.224 1.00 0.00 O ATOM 0 H SER B 107 4.833 -9.052 8.335 1.00 0.00 H new ATOM 0 HA SER B 107 7.327 -9.484 6.864 1.00 0.00 H new ATOM 0 HB2 SER B 107 5.332 -7.645 5.739 1.00 0.00 H new ATOM 0 HB3 SER B 107 6.003 -9.109 5.048 1.00 0.00 H new ATOM 0 HG SER B 107 3.599 -8.735 6.307 1.00 0.00 H new ATOM 1585 N GLY B 108 7.001 -7.017 8.676 1.00 0.00 N ATOM 1586 CA GLY B 108 7.528 -5.740 9.096 1.00 0.00 C ATOM 1587 C GLY B 108 6.737 -5.166 10.248 1.00 0.00 C ATOM 1588 O GLY B 108 5.941 -5.872 10.868 1.00 0.00 O ATOM 0 H GLY B 108 6.540 -7.548 9.414 1.00 0.00 H new ATOM 0 HA2 GLY B 108 8.571 -5.855 9.391 1.00 0.00 H new ATOM 0 HA3 GLY B 108 7.509 -5.044 8.258 1.00 0.00 H new ATOM 1592 N GLY B 109 6.950 -3.890 10.532 1.00 0.00 N ATOM 1593 CA GLY B 109 6.241 -3.243 11.615 1.00 0.00 C ATOM 1594 C GLY B 109 4.901 -2.689 11.172 1.00 0.00 C ATOM 1595 O GLY B 109 4.209 -3.297 10.357 1.00 0.00 O ATOM 0 H GLY B 109 7.604 -3.290 10.030 1.00 0.00 H new ATOM 0 HA2 GLY B 109 6.087 -3.957 12.424 1.00 0.00 H new ATOM 0 HA3 GLY B 109 6.852 -2.434 12.015 1.00 0.00 H new ATOM 1599 N GLU B 110 4.532 -1.539 11.711 1.00 0.00 N ATOM 1600 CA GLU B 110 3.268 -0.904 11.370 1.00 0.00 C ATOM 1601 C GLU B 110 3.490 0.567 11.041 1.00 0.00 C ATOM 1602 O GLU B 110 2.693 1.433 11.414 1.00 0.00 O ATOM 1603 CB GLU B 110 2.280 -1.051 12.527 1.00 0.00 C ATOM 1604 CG GLU B 110 1.903 -2.495 12.819 1.00 0.00 C ATOM 1605 CD GLU B 110 1.208 -2.657 14.151 1.00 0.00 C ATOM 1606 OE1 GLU B 110 1.907 -2.774 15.181 1.00 0.00 O ATOM 1607 OE2 GLU B 110 -0.043 -2.668 14.175 1.00 0.00 O ATOM 0 H GLU B 110 5.092 -1.023 12.390 1.00 0.00 H new ATOM 0 HA GLU B 110 2.851 -1.395 10.491 1.00 0.00 H new ATOM 0 HB2 GLU B 110 2.713 -0.608 13.424 1.00 0.00 H new ATOM 0 HB3 GLU B 110 1.376 -0.487 12.297 1.00 0.00 H new ATOM 0 HG2 GLU B 110 1.252 -2.864 12.027 1.00 0.00 H new ATOM 0 HG3 GLU B 110 2.802 -3.111 12.805 1.00 0.00 H new ATOM 1614 N THR B 111 4.586 0.835 10.346 1.00 0.00 N ATOM 1615 CA THR B 111 4.933 2.185 9.940 1.00 0.00 C ATOM 1616 C THR B 111 3.960 2.666 8.868 1.00 0.00 C ATOM 1617 O THR B 111 4.041 2.266 7.708 1.00 0.00 O ATOM 1618 CB THR B 111 6.379 2.240 9.412 1.00 0.00 C ATOM 1619 OG1 THR B 111 7.250 1.548 10.322 1.00 0.00 O ATOM 1620 CG2 THR B 111 6.849 3.680 9.249 1.00 0.00 C ATOM 0 H THR B 111 5.256 0.125 10.050 1.00 0.00 H new ATOM 0 HA THR B 111 4.863 2.841 10.808 1.00 0.00 H new ATOM 0 HB THR B 111 6.406 1.759 8.434 1.00 0.00 H new ATOM 0 HG1 THR B 111 8.169 1.582 9.984 1.00 0.00 H new ATOM 0 HG21 THR B 111 7.873 3.688 8.875 1.00 0.00 H new ATOM 0 HG22 THR B 111 6.200 4.197 8.542 1.00 0.00 H new ATOM 0 HG23 THR B 111 6.811 4.187 10.213 1.00 0.00 H new ATOM 1628 N ARG B 112 3.031 3.515 9.272 1.00 0.00 N ATOM 1629 CA ARG B 112 2.020 4.024 8.361 1.00 0.00 C ATOM 1630 C ARG B 112 2.411 5.371 7.772 1.00 0.00 C ATOM 1631 O ARG B 112 3.351 6.024 8.235 1.00 0.00 O ATOM 1632 CB ARG B 112 0.678 4.143 9.086 1.00 0.00 C ATOM 1633 CG ARG B 112 0.760 4.914 10.391 1.00 0.00 C ATOM 1634 CD ARG B 112 -0.507 5.714 10.645 1.00 0.00 C ATOM 1635 NE ARG B 112 -0.650 6.820 9.700 1.00 0.00 N ATOM 1636 CZ ARG B 112 -1.731 7.587 9.612 1.00 0.00 C ATOM 1637 NH1 ARG B 112 -2.778 7.365 10.393 1.00 0.00 N ATOM 1638 NH2 ARG B 112 -1.762 8.579 8.737 1.00 0.00 N ATOM 0 H ARG B 112 2.956 3.867 10.226 1.00 0.00 H new ATOM 0 HA ARG B 112 1.933 3.316 7.537 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -0.039 4.634 8.428 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.293 3.143 9.288 1.00 0.00 H new ATOM 0 HG2 ARG B 112 0.925 4.220 11.215 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.617 5.587 10.364 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -1.373 5.057 10.569 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -0.492 6.105 11.662 1.00 0.00 H new ATOM 0 HE ARG B 112 0.128 7.015 9.070 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -2.758 6.601 11.068 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -3.604 7.959 10.319 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -0.958 8.752 8.134 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -2.590 9.171 8.666 1.00 0.00 H new ATOM 1652 N LEU B 113 1.666 5.776 6.758 1.00 0.00 N ATOM 1653 CA LEU B 113 1.891 7.037 6.077 1.00 0.00 C ATOM 1654 C LEU B 113 0.962 8.095 6.657 1.00 0.00 C ATOM 1655 O LEU B 113 0.910 8.218 7.899 1.00 0.00 O ATOM 1656 CB LEU B 113 1.630 6.883 4.571 1.00 0.00 C ATOM 1657 CG LEU B 113 2.701 6.134 3.760 1.00 0.00 C ATOM 1658 CD1 LEU B 113 4.083 6.685 4.044 1.00 0.00 C ATOM 1659 CD2 LEU B 113 2.656 4.640 4.044 1.00 0.00 C ATOM 1660 OXT LEU B 113 0.267 8.778 5.883 1.00 0.00 O ATOM 0 H LEU B 113 0.885 5.237 6.383 1.00 0.00 H new ATOM 0 HA LEU B 113 2.928 7.342 6.221 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.680 6.365 4.441 1.00 0.00 H new ATOM 0 HB3 LEU B 113 1.512 7.878 4.142 1.00 0.00 H new ATOM 0 HG LEU B 113 2.482 6.288 2.703 1.00 0.00 H new ATOM 0 HD11 LEU B 113 4.821 6.137 3.458 1.00 0.00 H new ATOM 0 HD12 LEU B 113 4.116 7.741 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 113 4.308 6.574 5.105 1.00 0.00 H new ATOM 0 HD21 LEU B 113 3.424 4.135 3.458 1.00 0.00 H new ATOM 0 HD22 LEU B 113 2.836 4.466 5.105 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.676 4.248 3.773 1.00 0.00 H new TER 1672 LEU B 113