USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -83:sc= 1.21 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -129:sc= 0.228 USER MOD Set 2.2: A 86 SER OG : rot 179:sc= 0.242 USER MOD Set 3.1: A 75 GLN : amide:sc= -0.847 K(o=-2.5,f=-1.7) USER MOD Set 3.2: A 91 SER OG : rot 40:sc= -1.69! USER MOD Set 4.1: A 28 THR OG1 : rot -5:sc= 0.723 USER MOD Set 4.2: A 47 THR OG1 : rot -86:sc= 0.146 USER MOD Set 5.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 37 TYR OH : rot -125:sc= 1.12 USER MOD Set 6.1: A 17 THR OG1 : rot 39:sc= 0.484 USER MOD Set 6.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -10.7! C(o=-11!,f=-5.5!) USER MOD Single : A 1 ASN N :NH3+ -109:sc= 0.0876 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.0629 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 108:sc= 0.0253 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 42 SER OG : rot -23:sc= 0.454 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 44 GLN : amide:sc= -2.54 K(o=-2.5,f=-3.9) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -13.2! C(o=-13!,f=-9.5!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.229 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.539 K(o=0.54,f=-5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 123:sc= 1.09 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.174 (180deg=-0.174) USER MOD Single : A 67 HIS : no HD1:sc= 0.132 K(o=0.13,f=-1.4) USER MOD Single : A 73 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.53) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -1.35 (180deg=-1.55) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -6.22! K(o=-6.2!,f=-2.2) USER MOD Single : A 93 SER OG : rot 75:sc= 1.39 USER MOD Single : A 102 THR OG1 : rot 1:sc= 0.115 USER MOD Single : A 104 SER OG : rot 135:sc= 0.632! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 116 SER OG : rot 103:sc= 0.92 USER MOD Single : A 117 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 121 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.474 -1.227 -2.376 1.00 0.00 N ATOM 21 CA ASN A 1 31.156 -0.608 -2.290 1.00 0.00 C ATOM 22 C ASN A 1 30.143 -1.379 -3.125 1.00 0.00 C ATOM 23 O ASN A 1 30.510 -2.166 -3.996 1.00 0.00 O ATOM 24 CB ASN A 1 31.210 0.839 -2.774 1.00 0.00 C ATOM 25 CG ASN A 1 29.912 1.582 -2.529 1.00 0.00 C ATOM 26 OD1 ASN A 1 29.523 2.447 -3.314 1.00 0.00 O ATOM 27 ND2 ASN A 1 29.236 1.249 -1.438 1.00 0.00 N ATOM 0 H1 ASN A 1 32.704 -1.680 -1.469 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.473 -1.943 -3.130 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.186 -0.500 -2.590 1.00 0.00 H new ATOM 0 HA ASN A 1 30.847 -0.627 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.023 1.358 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.438 0.854 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 1 28.355 1.716 -1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.597 0.526 -0.816 1.00 0.00 H new ATOM 34 N CYS A 2 28.866 -1.143 -2.852 1.00 0.00 N ATOM 35 CA CYS A 2 27.800 -1.813 -3.583 1.00 0.00 C ATOM 36 C CYS A 2 27.369 -1.002 -4.798 1.00 0.00 C ATOM 37 O CYS A 2 26.558 -1.462 -5.602 1.00 0.00 O ATOM 38 CB CYS A 2 26.605 -2.069 -2.667 1.00 0.00 C ATOM 39 SG CYS A 2 26.921 -3.330 -1.393 1.00 0.00 S ATOM 0 H CYS A 2 28.545 -0.495 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 2 28.186 -2.769 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.324 -1.135 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.754 -2.381 -3.272 1.00 0.00 H new ATOM 44 N GLY A 3 27.909 0.205 -4.931 1.00 0.00 N ATOM 45 CA GLY A 3 27.553 1.069 -6.038 1.00 0.00 C ATOM 46 C GLY A 3 26.525 2.104 -5.615 1.00 0.00 C ATOM 47 O GLY A 3 25.789 1.876 -4.657 1.00 0.00 O ATOM 0 H GLY A 3 28.592 0.601 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.445 1.570 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.155 0.470 -6.857 1.00 0.00 H new ATOM 51 N PRO A 4 26.453 3.260 -6.298 1.00 0.00 N ATOM 52 CA PRO A 4 25.491 4.313 -5.958 1.00 0.00 C ATOM 53 C PRO A 4 24.084 3.757 -5.743 1.00 0.00 C ATOM 54 O PRO A 4 23.573 3.009 -6.578 1.00 0.00 O ATOM 55 CB PRO A 4 25.542 5.231 -7.177 1.00 0.00 C ATOM 56 CG PRO A 4 26.935 5.078 -7.682 1.00 0.00 C ATOM 57 CD PRO A 4 27.298 3.637 -7.450 1.00 0.00 C ATOM 0 HA PRO A 4 25.734 4.818 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.810 4.937 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.326 6.265 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.998 5.332 -8.740 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.618 5.743 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.085 3.022 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.359 3.519 -7.228 1.00 0.00 H new ATOM 65 N PRO A 5 23.441 4.118 -4.615 1.00 0.00 N ATOM 66 CA PRO A 5 22.095 3.644 -4.277 1.00 0.00 C ATOM 67 C PRO A 5 21.125 3.680 -5.454 1.00 0.00 C ATOM 68 O PRO A 5 20.707 4.750 -5.897 1.00 0.00 O ATOM 69 CB PRO A 5 21.652 4.614 -3.189 1.00 0.00 C ATOM 70 CG PRO A 5 22.915 4.992 -2.503 1.00 0.00 C ATOM 71 CD PRO A 5 23.974 5.023 -3.575 1.00 0.00 C ATOM 0 HA PRO A 5 22.104 2.598 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 5 21.152 5.485 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.949 4.146 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.821 5.964 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.168 4.272 -1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.125 6.031 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.937 4.678 -3.198 1.00 0.00 H new ATOM 79 N PRO A 6 20.763 2.496 -5.975 1.00 0.00 N ATOM 80 CA PRO A 6 19.825 2.370 -7.096 1.00 0.00 C ATOM 81 C PRO A 6 18.430 2.851 -6.725 1.00 0.00 C ATOM 82 O PRO A 6 18.185 3.367 -5.635 1.00 0.00 O ATOM 83 CB PRO A 6 19.795 0.864 -7.376 1.00 0.00 C ATOM 84 CG PRO A 6 20.274 0.224 -6.117 1.00 0.00 C ATOM 85 CD PRO A 6 21.251 1.186 -5.516 1.00 0.00 C ATOM 0 HA PRO A 6 20.133 2.972 -7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.789 0.530 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.438 0.607 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.445 0.032 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.747 -0.736 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.263 1.120 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.268 0.993 -5.858 1.00 0.00 H new ATOM 93 N THR A 7 17.527 2.661 -7.680 1.00 0.00 N ATOM 94 CA THR A 7 16.140 3.060 -7.527 1.00 0.00 C ATOM 95 C THR A 7 15.269 1.858 -7.179 1.00 0.00 C ATOM 96 O THR A 7 15.380 0.800 -7.801 1.00 0.00 O ATOM 97 CB THR A 7 15.610 3.721 -8.813 1.00 0.00 C ATOM 98 OG1 THR A 7 14.290 4.234 -8.596 1.00 0.00 O ATOM 99 CG2 THR A 7 15.590 2.733 -9.970 1.00 0.00 C ATOM 0 H THR A 7 17.739 2.227 -8.578 1.00 0.00 H new ATOM 0 HA THR A 7 16.094 3.784 -6.714 1.00 0.00 H new ATOM 0 HB THR A 7 16.281 4.540 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.963 4.654 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.211 3.228 -10.864 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.601 2.370 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.943 1.892 -9.719 1.00 0.00 H new ATOM 107 N LEU A 8 14.411 2.014 -6.181 1.00 0.00 N ATOM 108 CA LEU A 8 13.515 0.942 -5.778 1.00 0.00 C ATOM 109 C LEU A 8 12.065 1.335 -6.018 1.00 0.00 C ATOM 110 O LEU A 8 11.540 2.235 -5.369 1.00 0.00 O ATOM 111 CB LEU A 8 13.738 0.602 -4.305 1.00 0.00 C ATOM 112 CG LEU A 8 15.183 0.253 -3.948 1.00 0.00 C ATOM 113 CD1 LEU A 8 16.027 1.512 -3.825 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.236 -0.551 -2.659 1.00 0.00 C ATOM 0 H LEU A 8 14.317 2.872 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 8 13.733 0.061 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.421 1.450 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.098 -0.239 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 8 15.594 -0.357 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.051 1.240 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.019 2.049 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.616 2.150 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.273 -0.790 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.803 0.034 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.670 -1.474 -2.783 1.00 0.00 H new ATOM 126 N SER A 9 11.426 0.650 -6.958 1.00 0.00 N ATOM 127 CA SER A 9 10.036 0.930 -7.294 1.00 0.00 C ATOM 128 C SER A 9 9.126 0.696 -6.093 1.00 0.00 C ATOM 129 O SER A 9 8.173 1.442 -5.871 1.00 0.00 O ATOM 130 CB SER A 9 9.586 0.059 -8.467 1.00 0.00 C ATOM 131 OG SER A 9 8.236 0.319 -8.809 1.00 0.00 O ATOM 0 H SER A 9 11.848 -0.103 -7.501 1.00 0.00 H new ATOM 0 HA SER A 9 9.964 1.979 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.225 0.247 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.702 -0.993 -8.208 1.00 0.00 H new ATOM 0 HG SER A 9 7.974 -0.250 -9.563 1.00 0.00 H new ATOM 137 N PHE A 10 9.433 -0.336 -5.312 1.00 0.00 N ATOM 138 CA PHE A 10 8.632 -0.670 -4.140 1.00 0.00 C ATOM 139 C PHE A 10 8.772 0.393 -3.055 1.00 0.00 C ATOM 140 O PHE A 10 8.049 0.369 -2.058 1.00 0.00 O ATOM 141 CB PHE A 10 9.040 -2.033 -3.575 1.00 0.00 C ATOM 142 CG PHE A 10 9.404 -3.044 -4.623 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.436 -3.869 -5.176 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.714 -3.173 -5.055 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.769 -4.802 -6.140 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.053 -4.104 -6.018 1.00 0.00 C ATOM 147 CZ PHE A 10 10.079 -4.920 -6.561 1.00 0.00 C ATOM 0 H PHE A 10 10.229 -0.954 -5.470 1.00 0.00 H new ATOM 0 HA PHE A 10 7.590 -0.711 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.889 -1.898 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.220 -2.426 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.410 -3.781 -4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.480 -2.538 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.006 -5.438 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.078 -4.194 -6.346 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.342 -5.649 -7.313 1.00 0.00 H new ATOM 157 N ALA A 11 9.700 1.325 -3.249 1.00 0.00 N ATOM 158 CA ALA A 11 9.918 2.381 -2.266 1.00 0.00 C ATOM 159 C ALA A 11 10.355 3.694 -2.916 1.00 0.00 C ATOM 160 O ALA A 11 10.201 3.921 -4.115 1.00 0.00 O ATOM 161 CB ALA A 11 10.949 1.925 -1.244 1.00 0.00 C ATOM 0 H ALA A 11 10.307 1.371 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 11 8.968 2.573 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.110 2.716 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.588 1.029 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.889 1.703 -1.750 1.00 0.00 H new ATOM 167 N ALA A 12 10.890 4.550 -2.046 1.00 0.00 N ATOM 168 CA ALA A 12 11.347 5.877 -2.441 1.00 0.00 C ATOM 169 C ALA A 12 12.230 6.477 -1.346 1.00 0.00 C ATOM 170 O ALA A 12 11.921 6.350 -0.164 1.00 0.00 O ATOM 171 CB ALA A 12 10.164 6.787 -2.735 1.00 0.00 C ATOM 0 H ALA A 12 11.017 4.343 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 12 11.937 5.785 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.527 7.772 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.571 6.363 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.545 6.879 -1.843 1.00 0.00 H new ATOM 177 N PRO A 13 13.338 7.140 -1.720 1.00 0.00 N ATOM 178 CA PRO A 13 14.265 7.740 -0.751 1.00 0.00 C ATOM 179 C PRO A 13 13.546 8.552 0.322 1.00 0.00 C ATOM 180 O PRO A 13 12.541 9.211 0.051 1.00 0.00 O ATOM 181 CB PRO A 13 15.137 8.647 -1.618 1.00 0.00 C ATOM 182 CG PRO A 13 15.128 8.002 -2.960 1.00 0.00 C ATOM 183 CD PRO A 13 13.766 7.378 -3.113 1.00 0.00 C ATOM 0 HA PRO A 13 14.825 6.985 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.736 9.659 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.149 8.722 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.312 8.735 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.913 7.249 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.077 8.041 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.811 6.450 -3.683 1.00 0.00 H new ATOM 191 N MET A 14 14.076 8.497 1.546 1.00 0.00 N ATOM 192 CA MET A 14 13.480 9.223 2.662 1.00 0.00 C ATOM 193 C MET A 14 14.527 9.609 3.705 1.00 0.00 C ATOM 194 O MET A 14 14.261 10.427 4.586 1.00 0.00 O ATOM 195 CB MET A 14 12.385 8.373 3.310 1.00 0.00 C ATOM 196 CG MET A 14 11.596 9.101 4.388 1.00 0.00 C ATOM 197 SD MET A 14 10.652 10.492 3.739 1.00 0.00 S ATOM 198 CE MET A 14 9.741 10.990 5.198 1.00 0.00 C ATOM 0 H MET A 14 14.910 7.961 1.785 1.00 0.00 H new ATOM 0 HA MET A 14 13.045 10.142 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.696 8.034 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.839 7.483 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.916 8.399 4.871 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.282 9.459 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.108 11.844 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.119 10.162 5.539 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.440 11.267 5.987 1.00 0.00 H new ATOM 208 N ASP A 15 15.717 9.026 3.602 1.00 0.00 N ATOM 209 CA ASP A 15 16.784 9.317 4.552 1.00 0.00 C ATOM 210 C ASP A 15 18.125 8.808 4.045 1.00 0.00 C ATOM 211 O ASP A 15 18.495 7.657 4.278 1.00 0.00 O ATOM 212 CB ASP A 15 16.471 8.690 5.908 1.00 0.00 C ATOM 213 CG ASP A 15 17.403 9.174 7.001 1.00 0.00 C ATOM 214 OD1 ASP A 15 17.123 10.239 7.593 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.415 8.491 7.266 1.00 0.00 O ATOM 0 H ASP A 15 15.965 8.354 2.876 1.00 0.00 H new ATOM 0 HA ASP A 15 16.847 10.400 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.442 8.922 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.542 7.605 5.828 1.00 0.00 H new ATOM 220 N ILE A 16 18.844 9.675 3.347 1.00 0.00 N ATOM 221 CA ILE A 16 20.141 9.337 2.801 1.00 0.00 C ATOM 222 C ILE A 16 20.777 10.543 2.133 1.00 0.00 C ATOM 223 O ILE A 16 20.478 10.853 0.982 1.00 0.00 O ATOM 224 CB ILE A 16 20.033 8.194 1.777 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.332 8.050 0.984 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.853 8.421 0.845 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.354 6.849 0.064 1.00 0.00 C ATOM 0 H ILE A 16 18.542 10.628 3.146 1.00 0.00 H new ATOM 0 HA ILE A 16 20.766 9.012 3.633 1.00 0.00 H new ATOM 0 HB ILE A 16 19.865 7.264 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.488 8.952 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.167 7.978 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.793 7.602 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.932 8.462 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.987 9.362 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.306 6.813 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.230 5.939 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.541 6.929 -0.658 1.00 0.00 H new ATOM 239 N THR A 17 21.632 11.239 2.866 1.00 0.00 N ATOM 240 CA THR A 17 22.313 12.391 2.306 1.00 0.00 C ATOM 241 C THR A 17 23.028 11.984 1.032 1.00 0.00 C ATOM 242 O THR A 17 23.972 11.193 1.066 1.00 0.00 O ATOM 243 CB THR A 17 23.333 12.995 3.284 1.00 0.00 C ATOM 244 OG1 THR A 17 24.226 11.978 3.753 1.00 0.00 O ATOM 245 CG2 THR A 17 22.634 13.650 4.464 1.00 0.00 C ATOM 0 H THR A 17 21.867 11.029 3.836 1.00 0.00 H new ATOM 0 HA THR A 17 21.558 13.150 2.099 1.00 0.00 H new ATOM 0 HB THR A 17 23.901 13.759 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.444 11.369 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.378 14.069 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.981 14.446 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.040 12.905 4.994 1.00 0.00 H new ATOM 253 N LEU A 18 22.575 12.518 -0.092 1.00 0.00 N ATOM 254 CA LEU A 18 23.162 12.189 -1.372 1.00 0.00 C ATOM 255 C LEU A 18 24.500 12.894 -1.558 1.00 0.00 C ATOM 256 O LEU A 18 24.926 13.161 -2.682 1.00 0.00 O ATOM 257 CB LEU A 18 22.208 12.570 -2.501 1.00 0.00 C ATOM 258 CG LEU A 18 21.260 11.459 -2.961 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.043 10.201 -3.310 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.224 11.163 -1.889 1.00 0.00 C ATOM 0 H LEU A 18 21.802 13.181 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 18 23.337 11.113 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.611 13.423 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.797 12.899 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 18 20.739 11.800 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.354 9.422 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.746 10.421 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.591 9.858 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.559 10.371 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.726 10.843 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.642 12.062 -1.687 1.00 0.00 H new ATOM 272 N THR A 19 25.157 13.182 -0.446 1.00 0.00 N ATOM 273 CA THR A 19 26.445 13.859 -0.465 1.00 0.00 C ATOM 274 C THR A 19 27.557 12.891 -0.844 1.00 0.00 C ATOM 275 O THR A 19 28.666 13.303 -1.188 1.00 0.00 O ATOM 276 CB THR A 19 26.756 14.485 0.906 1.00 0.00 C ATOM 277 OG1 THR A 19 27.045 13.457 1.861 1.00 0.00 O ATOM 278 CG2 THR A 19 25.577 15.315 1.393 1.00 0.00 C ATOM 0 H THR A 19 24.817 12.956 0.488 1.00 0.00 H new ATOM 0 HA THR A 19 26.391 14.651 -1.212 1.00 0.00 H new ATOM 0 HB THR A 19 27.625 15.134 0.799 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.243 13.864 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.815 15.750 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.373 16.112 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.697 14.678 1.486 1.00 0.00 H new ATOM 286 N GLU A 20 27.249 11.600 -0.779 1.00 0.00 N ATOM 287 CA GLU A 20 28.210 10.561 -1.122 1.00 0.00 C ATOM 288 C GLU A 20 27.630 9.629 -2.179 1.00 0.00 C ATOM 289 O GLU A 20 26.433 9.341 -2.177 1.00 0.00 O ATOM 290 CB GLU A 20 28.601 9.765 0.125 1.00 0.00 C ATOM 291 CG GLU A 20 29.252 10.612 1.206 1.00 0.00 C ATOM 292 CD GLU A 20 29.642 9.802 2.426 1.00 0.00 C ATOM 293 OE1 GLU A 20 30.757 9.241 2.434 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.831 9.729 3.374 1.00 0.00 O ATOM 0 H GLU A 20 26.336 11.248 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 20 29.103 11.037 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.711 9.288 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.286 8.968 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 20 30.139 11.097 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.565 11.404 1.505 1.00 0.00 H new ATOM 301 N THR A 21 28.485 9.160 -3.081 1.00 0.00 N ATOM 302 CA THR A 21 28.054 8.266 -4.148 1.00 0.00 C ATOM 303 C THR A 21 28.302 6.808 -3.779 1.00 0.00 C ATOM 304 O THR A 21 27.859 5.896 -4.477 1.00 0.00 O ATOM 305 CB THR A 21 28.791 8.577 -5.462 1.00 0.00 C ATOM 306 OG1 THR A 21 29.034 9.984 -5.569 1.00 0.00 O ATOM 307 CG2 THR A 21 27.980 8.110 -6.660 1.00 0.00 C ATOM 0 H THR A 21 29.480 9.384 -3.094 1.00 0.00 H new ATOM 0 HA THR A 21 26.985 8.427 -4.285 1.00 0.00 H new ATOM 0 HB THR A 21 29.741 8.043 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.505 10.172 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.521 8.341 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.820 7.034 -6.594 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.017 8.620 -6.669 1.00 0.00 H new ATOM 315 N ARG A 22 29.011 6.597 -2.676 1.00 0.00 N ATOM 316 CA ARG A 22 29.330 5.252 -2.209 1.00 0.00 C ATOM 317 C ARG A 22 28.878 5.074 -0.766 1.00 0.00 C ATOM 318 O ARG A 22 28.800 6.048 -0.016 1.00 0.00 O ATOM 319 CB ARG A 22 30.827 5.004 -2.303 1.00 0.00 C ATOM 320 CG ARG A 22 31.382 5.136 -3.711 1.00 0.00 C ATOM 321 CD ARG A 22 32.869 4.828 -3.756 1.00 0.00 C ATOM 322 NE ARG A 22 33.419 4.974 -5.101 1.00 0.00 N ATOM 323 CZ ARG A 22 34.721 4.977 -5.369 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.604 4.841 -4.389 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.141 5.114 -6.619 1.00 0.00 N ATOM 0 H ARG A 22 29.378 7.344 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 22 28.806 4.535 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.344 5.708 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.045 4.004 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.849 4.458 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.208 6.147 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.398 5.494 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.039 3.811 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 22 32.767 5.080 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.285 4.734 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.602 4.844 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.465 5.217 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.140 5.116 -6.824 1.00 0.00 H new ATOM 339 N PHE A 23 28.587 3.838 -0.363 1.00 0.00 N ATOM 340 CA PHE A 23 28.141 3.546 0.998 1.00 0.00 C ATOM 341 C PHE A 23 28.673 2.183 1.444 1.00 0.00 C ATOM 342 O PHE A 23 28.261 1.148 0.921 1.00 0.00 O ATOM 343 CB PHE A 23 26.609 3.575 1.073 1.00 0.00 C ATOM 344 CG PHE A 23 26.012 4.906 0.708 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.983 5.325 -0.610 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.493 5.746 1.683 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.456 6.550 -0.956 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.962 6.975 1.344 1.00 0.00 C ATOM 349 CZ PHE A 23 24.944 7.379 0.023 1.00 0.00 C ATOM 0 H PHE A 23 28.653 3.017 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 23 28.534 4.310 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.207 2.811 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.298 3.312 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.380 4.681 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.504 5.436 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.443 6.861 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.561 7.620 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.531 8.341 -0.244 1.00 0.00 H new ATOM 359 N LYS A 24 29.588 2.197 2.413 1.00 0.00 N ATOM 360 CA LYS A 24 30.209 0.971 2.926 1.00 0.00 C ATOM 361 C LYS A 24 29.198 -0.142 3.187 1.00 0.00 C ATOM 362 O LYS A 24 27.989 0.085 3.212 1.00 0.00 O ATOM 363 CB LYS A 24 30.982 1.261 4.212 1.00 0.00 C ATOM 364 CG LYS A 24 30.256 2.205 5.159 1.00 0.00 C ATOM 365 CD LYS A 24 31.054 2.452 6.430 1.00 0.00 C ATOM 366 CE LYS A 24 32.344 3.205 6.144 1.00 0.00 C ATOM 367 NZ LYS A 24 33.083 3.536 7.393 1.00 0.00 N ATOM 0 H LYS A 24 29.919 3.050 2.863 1.00 0.00 H new ATOM 0 HA LYS A 24 30.889 0.624 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.178 0.321 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.950 1.691 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.071 3.154 4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.283 1.785 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.449 3.021 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.286 1.499 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.980 2.602 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.116 4.123 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.956 4.049 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.487 4.132 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.324 2.659 7.897 1.00 0.00 H new ATOM 381 N THR A 25 29.721 -1.349 3.403 1.00 0.00 N ATOM 382 CA THR A 25 28.890 -2.518 3.648 1.00 0.00 C ATOM 383 C THR A 25 28.144 -2.429 4.973 1.00 0.00 C ATOM 384 O THR A 25 27.341 -3.303 5.300 1.00 0.00 O ATOM 385 CB THR A 25 29.715 -3.807 3.644 1.00 0.00 C ATOM 386 OG1 THR A 25 31.024 -3.558 4.169 1.00 0.00 O ATOM 387 CG2 THR A 25 29.817 -4.396 2.239 1.00 0.00 C ATOM 0 H THR A 25 30.723 -1.539 3.412 1.00 0.00 H new ATOM 0 HA THR A 25 28.167 -2.541 2.833 1.00 0.00 H new ATOM 0 HB THR A 25 29.206 -4.533 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.542 -4.390 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.409 -5.311 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.818 -4.623 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.297 -3.676 1.576 1.00 0.00 H new ATOM 395 N GLY A 26 28.410 -1.380 5.732 1.00 0.00 N ATOM 396 CA GLY A 26 27.749 -1.210 7.009 1.00 0.00 C ATOM 397 C GLY A 26 26.612 -0.219 6.918 1.00 0.00 C ATOM 398 O GLY A 26 25.806 -0.096 7.839 1.00 0.00 O ATOM 0 H GLY A 26 29.071 -0.643 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.368 -2.171 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.471 -0.869 7.751 1.00 0.00 H new ATOM 402 N THR A 27 26.554 0.487 5.796 1.00 0.00 N ATOM 403 CA THR A 27 25.523 1.491 5.559 1.00 0.00 C ATOM 404 C THR A 27 24.130 0.875 5.576 1.00 0.00 C ATOM 405 O THR A 27 23.970 -0.329 5.388 1.00 0.00 O ATOM 406 CB THR A 27 25.732 2.201 4.206 1.00 0.00 C ATOM 407 OG1 THR A 27 25.120 3.497 4.236 1.00 0.00 O ATOM 408 CG2 THR A 27 25.133 1.388 3.063 1.00 0.00 C ATOM 0 H THR A 27 27.216 0.381 5.028 1.00 0.00 H new ATOM 0 HA THR A 27 25.606 2.218 6.367 1.00 0.00 H new ATOM 0 HB THR A 27 26.804 2.301 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.555 3.610 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.294 1.911 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.613 0.410 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.063 1.261 3.229 1.00 0.00 H new ATOM 416 N THR A 28 23.125 1.714 5.798 1.00 0.00 N ATOM 417 CA THR A 28 21.741 1.263 5.823 1.00 0.00 C ATOM 418 C THR A 28 20.800 2.436 5.575 1.00 0.00 C ATOM 419 O THR A 28 20.796 3.412 6.327 1.00 0.00 O ATOM 420 CB THR A 28 21.386 0.579 7.157 1.00 0.00 C ATOM 421 OG1 THR A 28 22.206 -0.580 7.347 1.00 0.00 O ATOM 422 CG2 THR A 28 19.920 0.178 7.191 1.00 0.00 C ATOM 0 H THR A 28 23.245 2.713 5.964 1.00 0.00 H new ATOM 0 HA THR A 28 21.622 0.527 5.028 1.00 0.00 H new ATOM 0 HB THR A 28 21.569 1.291 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.760 -0.722 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.696 -0.303 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.297 1.065 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.714 -0.517 6.377 1.00 0.00 H new ATOM 430 N LEU A 29 20.003 2.334 4.515 1.00 0.00 N ATOM 431 CA LEU A 29 19.084 3.406 4.149 1.00 0.00 C ATOM 432 C LEU A 29 17.717 3.226 4.802 1.00 0.00 C ATOM 433 O LEU A 29 17.423 2.181 5.383 1.00 0.00 O ATOM 434 CB LEU A 29 18.920 3.475 2.625 1.00 0.00 C ATOM 435 CG LEU A 29 20.185 3.186 1.806 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.013 3.652 0.368 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.399 3.840 2.436 1.00 0.00 C ATOM 0 H LEU A 29 19.975 1.523 3.897 1.00 0.00 H new ATOM 0 HA LEU A 29 19.515 4.339 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.148 2.765 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.558 4.469 2.362 1.00 0.00 H new ATOM 0 HG LEU A 29 20.344 2.108 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.921 3.438 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.172 3.128 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.822 4.725 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.283 3.620 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.249 4.919 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.539 3.452 3.445 1.00 0.00 H new ATOM 449 N LYS A 30 16.887 4.262 4.699 1.00 0.00 N ATOM 450 CA LYS A 30 15.540 4.236 5.259 1.00 0.00 C ATOM 451 C LYS A 30 14.533 3.852 4.187 1.00 0.00 C ATOM 452 O LYS A 30 13.999 2.743 4.189 1.00 0.00 O ATOM 453 CB LYS A 30 15.177 5.602 5.844 1.00 0.00 C ATOM 454 CG LYS A 30 14.676 5.544 7.279 1.00 0.00 C ATOM 455 CD LYS A 30 13.347 4.811 7.383 1.00 0.00 C ATOM 456 CE LYS A 30 12.775 4.897 8.789 1.00 0.00 C ATOM 457 NZ LYS A 30 11.455 4.217 8.897 1.00 0.00 N ATOM 0 H LYS A 30 17.127 5.135 4.229 1.00 0.00 H new ATOM 0 HA LYS A 30 15.514 3.493 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.053 6.249 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.410 6.062 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.417 5.044 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.564 6.557 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.638 5.237 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.484 3.765 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.474 4.445 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.668 5.944 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.101 4.299 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.780 4.664 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.561 3.212 8.651 1.00 0.00 H new ATOM 471 N TYR A 31 14.282 4.781 3.269 1.00 0.00 N ATOM 472 CA TYR A 31 13.349 4.552 2.174 1.00 0.00 C ATOM 473 C TYR A 31 11.921 4.338 2.680 1.00 0.00 C ATOM 474 O TYR A 31 11.690 3.628 3.659 1.00 0.00 O ATOM 475 CB TYR A 31 13.811 3.357 1.335 1.00 0.00 C ATOM 476 CG TYR A 31 14.664 3.748 0.150 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.027 3.970 0.296 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.107 3.900 -1.113 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.811 4.331 -0.784 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.883 4.260 -2.197 1.00 0.00 C ATOM 481 CZ TYR A 31 16.234 4.475 -2.027 1.00 0.00 C ATOM 482 OH TYR A 31 17.011 4.836 -3.105 1.00 0.00 O ATOM 0 H TYR A 31 14.715 5.704 3.264 1.00 0.00 H new ATOM 0 HA TYR A 31 13.339 5.445 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.375 2.674 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.936 2.813 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.482 3.859 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.049 3.734 -1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.870 4.499 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.434 4.373 -3.173 1.00 0.00 H new ATOM 0 HH TYR A 31 17.128 4.064 -3.697 1.00 0.00 H new ATOM 492 N THR A 32 10.970 4.965 1.994 1.00 0.00 N ATOM 493 CA THR A 32 9.558 4.870 2.346 1.00 0.00 C ATOM 494 C THR A 32 8.774 4.172 1.236 1.00 0.00 C ATOM 495 O THR A 32 9.312 3.925 0.159 1.00 0.00 O ATOM 496 CB THR A 32 8.960 6.268 2.592 1.00 0.00 C ATOM 497 OG1 THR A 32 7.530 6.213 2.557 1.00 0.00 O ATOM 498 CG2 THR A 32 9.467 7.254 1.550 1.00 0.00 C ATOM 0 H THR A 32 11.156 5.552 1.181 1.00 0.00 H new ATOM 0 HA THR A 32 9.482 4.285 3.263 1.00 0.00 H new ATOM 0 HB THR A 32 9.275 6.606 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.164 7.108 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.035 8.237 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.554 7.318 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.176 6.914 0.556 1.00 0.00 H new ATOM 506 N CYS A 33 7.506 3.864 1.495 1.00 0.00 N ATOM 507 CA CYS A 33 6.677 3.181 0.505 1.00 0.00 C ATOM 508 C CYS A 33 5.473 4.025 0.086 1.00 0.00 C ATOM 509 O CYS A 33 4.641 4.429 0.898 1.00 0.00 O ATOM 510 CB CYS A 33 6.192 1.842 1.065 1.00 0.00 C ATOM 511 SG CYS A 33 7.516 0.794 1.747 1.00 0.00 S ATOM 0 H CYS A 33 7.033 4.074 2.374 1.00 0.00 H new ATOM 0 HA CYS A 33 7.293 3.015 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.456 2.033 1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.681 1.294 0.273 1.00 0.00 H new ATOM 516 N LEU A 34 5.432 4.269 -1.224 1.00 0.00 N ATOM 517 CA LEU A 34 4.396 5.074 -1.865 1.00 0.00 C ATOM 518 C LEU A 34 2.997 4.717 -1.360 1.00 0.00 C ATOM 519 O LEU A 34 2.771 3.620 -0.853 1.00 0.00 O ATOM 520 CB LEU A 34 4.477 4.906 -3.383 1.00 0.00 C ATOM 521 CG LEU A 34 5.837 5.257 -3.995 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.845 4.954 -5.486 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.173 6.720 -3.746 1.00 0.00 C ATOM 0 H LEU A 34 6.127 3.908 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 34 4.573 6.117 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.237 3.873 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.714 5.532 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 34 6.599 4.643 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.819 5.209 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.650 3.893 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.072 5.542 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.142 6.951 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.408 7.351 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.209 6.907 -2.673 1.00 0.00 H new ATOM 535 N PRO A 35 2.039 5.656 -1.500 1.00 0.00 N ATOM 536 CA PRO A 35 0.655 5.462 -1.052 1.00 0.00 C ATOM 537 C PRO A 35 0.022 4.196 -1.618 1.00 0.00 C ATOM 538 O PRO A 35 -0.355 4.145 -2.787 1.00 0.00 O ATOM 539 CB PRO A 35 -0.082 6.707 -1.569 1.00 0.00 C ATOM 540 CG PRO A 35 0.840 7.330 -2.563 1.00 0.00 C ATOM 541 CD PRO A 35 2.225 6.980 -2.112 1.00 0.00 C ATOM 0 HA PRO A 35 0.604 5.342 0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.032 6.438 -2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.306 7.397 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.648 6.950 -3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.702 8.411 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.926 6.946 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.614 7.706 -1.398 1.00 0.00 H new ATOM 549 N GLY A 36 -0.097 3.183 -0.769 1.00 0.00 N ATOM 550 CA GLY A 36 -0.693 1.926 -1.189 1.00 0.00 C ATOM 551 C GLY A 36 0.233 0.752 -0.945 1.00 0.00 C ATOM 552 O GLY A 36 -0.212 -0.334 -0.572 1.00 0.00 O ATOM 0 H GLY A 36 0.208 3.208 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.627 1.769 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.941 1.978 -2.249 1.00 0.00 H new ATOM 556 N TYR A 37 1.524 0.978 -1.167 1.00 0.00 N ATOM 557 CA TYR A 37 2.516 -0.070 -0.953 1.00 0.00 C ATOM 558 C TYR A 37 2.408 -0.566 0.483 1.00 0.00 C ATOM 559 O TYR A 37 3.032 0.010 1.374 1.00 0.00 O ATOM 560 CB TYR A 37 3.937 0.471 -1.167 1.00 0.00 C ATOM 561 CG TYR A 37 4.456 0.374 -2.582 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.772 -0.856 -3.147 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.643 1.517 -3.349 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.256 -0.943 -4.438 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.126 1.438 -4.643 1.00 0.00 C ATOM 566 CZ TYR A 37 5.430 0.205 -5.182 1.00 0.00 C ATOM 567 OH TYR A 37 5.906 0.118 -6.470 1.00 0.00 O ATOM 0 H TYR A 37 1.905 1.867 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 37 2.327 -0.875 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.961 1.516 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.617 -0.070 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.637 -1.758 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.407 2.483 -2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.497 -1.906 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.264 2.336 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 37 6.698 0.688 -6.565 1.00 0.00 H new ATOM 577 N VAL A 38 1.624 -1.614 0.738 1.00 0.00 N ATOM 578 CA VAL A 38 1.434 -2.177 2.066 1.00 0.00 C ATOM 579 C VAL A 38 2.712 -2.777 2.621 1.00 0.00 C ATOM 580 O VAL A 38 3.803 -2.269 2.376 1.00 0.00 O ATOM 581 CB VAL A 38 0.341 -3.261 2.022 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.008 -2.649 1.676 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.710 -4.336 1.016 1.00 0.00 C ATOM 0 H VAL A 38 1.097 -2.100 0.013 1.00 0.00 H new ATOM 0 HA VAL A 38 1.133 -1.362 2.724 1.00 0.00 H new ATOM 0 HB VAL A 38 0.265 -3.717 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.767 -3.431 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.276 -1.909 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.950 -2.168 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.070 -5.097 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.810 -3.890 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.656 -4.795 1.304 1.00 0.00 H new ATOM 593 N ARG A 39 2.577 -3.850 3.385 1.00 0.00 N ATOM 594 CA ARG A 39 3.744 -4.505 3.951 1.00 0.00 C ATOM 595 C ARG A 39 3.516 -5.985 4.226 1.00 0.00 C ATOM 596 O ARG A 39 2.539 -6.378 4.862 1.00 0.00 O ATOM 597 CB ARG A 39 4.178 -3.798 5.234 1.00 0.00 C ATOM 598 CG ARG A 39 3.111 -3.792 6.315 1.00 0.00 C ATOM 599 CD ARG A 39 3.649 -3.249 7.627 1.00 0.00 C ATOM 600 NE ARG A 39 2.632 -3.244 8.674 1.00 0.00 N ATOM 601 CZ ARG A 39 2.788 -2.645 9.850 1.00 0.00 C ATOM 602 NH1 ARG A 39 3.913 -2.001 10.128 1.00 0.00 N ATOM 603 NH2 ARG A 39 1.814 -2.688 10.750 1.00 0.00 N ATOM 0 H ARG A 39 1.684 -4.280 3.625 1.00 0.00 H new ATOM 0 HA ARG A 39 4.535 -4.436 3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.073 -4.284 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.450 -2.769 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.265 -3.186 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.738 -4.805 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.498 -3.853 7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.019 -2.235 7.475 1.00 0.00 H new ATOM 0 HE ARG A 39 1.752 -3.727 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.663 -1.964 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.028 -1.543 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.946 -3.181 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.933 -2.228 11.653 1.00 0.00 H new ATOM 617 N SER A 40 4.443 -6.795 3.726 1.00 0.00 N ATOM 618 CA SER A 40 4.410 -8.236 3.922 1.00 0.00 C ATOM 619 C SER A 40 5.574 -8.633 4.819 1.00 0.00 C ATOM 620 O SER A 40 5.579 -9.698 5.435 1.00 0.00 O ATOM 621 CB SER A 40 4.503 -8.965 2.580 1.00 0.00 C ATOM 622 OG SER A 40 4.422 -10.369 2.753 1.00 0.00 O ATOM 0 H SER A 40 5.237 -6.469 3.174 1.00 0.00 H new ATOM 0 HA SER A 40 3.467 -8.518 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.699 -8.630 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.442 -8.710 2.089 1.00 0.00 H new ATOM 0 HG SER A 40 4.482 -10.810 1.880 1.00 0.00 H new ATOM 628 N HIS A 41 6.562 -7.743 4.874 1.00 0.00 N ATOM 629 CA HIS A 41 7.750 -7.936 5.692 1.00 0.00 C ATOM 630 C HIS A 41 7.905 -6.755 6.647 1.00 0.00 C ATOM 631 O HIS A 41 8.543 -6.864 7.696 1.00 0.00 O ATOM 632 CB HIS A 41 8.991 -8.070 4.808 1.00 0.00 C ATOM 633 CG HIS A 41 8.883 -9.158 3.785 1.00 0.00 C ATOM 634 ND1 HIS A 41 8.662 -8.914 2.445 1.00 0.00 N ATOM 635 CD2 HIS A 41 8.969 -10.504 3.910 1.00 0.00 C ATOM 636 CE1 HIS A 41 8.615 -10.061 1.792 1.00 0.00 C ATOM 637 NE2 HIS A 41 8.801 -11.041 2.656 1.00 0.00 N ATOM 0 H HIS A 41 6.558 -6.867 4.351 1.00 0.00 H new ATOM 0 HA HIS A 41 7.642 -8.854 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 41 9.170 -7.122 4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.858 -8.262 5.440 1.00 0.00 H new ATOM 0 HD2 HIS A 41 9.138 -11.053 4.825 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.452 -10.177 0.731 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.817 -12.035 2.430 1.00 0.00 H new ATOM 646 N SER A 42 7.313 -5.624 6.255 1.00 0.00 N ATOM 647 CA SER A 42 7.335 -4.398 7.054 1.00 0.00 C ATOM 648 C SER A 42 8.718 -3.755 7.105 1.00 0.00 C ATOM 649 O SER A 42 8.865 -2.630 7.582 1.00 0.00 O ATOM 650 CB SER A 42 6.839 -4.683 8.469 1.00 0.00 C ATOM 651 OG SER A 42 6.860 -3.511 9.266 1.00 0.00 O ATOM 0 H SER A 42 6.805 -5.533 5.375 1.00 0.00 H new ATOM 0 HA SER A 42 6.668 -3.688 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.825 -5.080 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.463 -5.449 8.928 1.00 0.00 H new ATOM 0 HG SER A 42 7.505 -2.874 8.894 1.00 0.00 H new ATOM 657 N THR A 43 9.727 -4.462 6.616 1.00 0.00 N ATOM 658 CA THR A 43 11.089 -3.935 6.613 1.00 0.00 C ATOM 659 C THR A 43 11.204 -2.729 5.682 1.00 0.00 C ATOM 660 O THR A 43 10.239 -2.357 5.018 1.00 0.00 O ATOM 661 CB THR A 43 12.108 -5.002 6.175 1.00 0.00 C ATOM 662 OG1 THR A 43 11.588 -6.313 6.431 1.00 0.00 O ATOM 663 CG2 THR A 43 13.425 -4.828 6.916 1.00 0.00 C ATOM 0 H THR A 43 9.632 -5.396 6.218 1.00 0.00 H new ATOM 0 HA THR A 43 11.313 -3.631 7.636 1.00 0.00 H new ATOM 0 HB THR A 43 12.287 -4.882 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.242 -6.985 6.148 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.130 -5.593 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.836 -3.841 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.255 -4.925 7.988 1.00 0.00 H new ATOM 671 N GLN A 44 12.387 -2.116 5.656 1.00 0.00 N ATOM 672 CA GLN A 44 12.640 -0.956 4.801 1.00 0.00 C ATOM 673 C GLN A 44 14.048 -0.411 5.031 1.00 0.00 C ATOM 674 O GLN A 44 14.225 0.666 5.601 1.00 0.00 O ATOM 675 CB GLN A 44 11.603 0.151 5.049 1.00 0.00 C ATOM 676 CG GLN A 44 11.563 0.665 6.482 1.00 0.00 C ATOM 677 CD GLN A 44 10.780 -0.239 7.413 1.00 0.00 C ATOM 678 OE1 GLN A 44 11.340 -1.132 8.048 1.00 0.00 O ATOM 679 NE2 GLN A 44 9.475 -0.008 7.499 1.00 0.00 N ATOM 0 H GLN A 44 13.187 -2.404 6.219 1.00 0.00 H new ATOM 0 HA GLN A 44 12.554 -1.284 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.815 0.987 4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.616 -0.227 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.582 0.766 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.119 1.661 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.053 0.744 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.895 -0.582 8.110 1.00 0.00 H new ATOM 688 N THR A 45 15.055 -1.159 4.583 1.00 0.00 N ATOM 689 CA THR A 45 16.443 -0.743 4.755 1.00 0.00 C ATOM 690 C THR A 45 17.341 -1.280 3.644 1.00 0.00 C ATOM 691 O THR A 45 17.217 -2.432 3.231 1.00 0.00 O ATOM 692 CB THR A 45 17.002 -1.209 6.113 1.00 0.00 C ATOM 693 OG1 THR A 45 16.867 -2.630 6.238 1.00 0.00 O ATOM 694 CG2 THR A 45 16.281 -0.523 7.263 1.00 0.00 C ATOM 0 H THR A 45 14.936 -2.050 4.101 1.00 0.00 H new ATOM 0 HA THR A 45 16.443 0.346 4.714 1.00 0.00 H new ATOM 0 HB THR A 45 18.057 -0.939 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.226 -2.918 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.695 -0.869 8.210 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.412 0.556 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.219 -0.763 7.221 1.00 0.00 H new ATOM 702 N LEU A 46 18.246 -0.428 3.171 1.00 0.00 N ATOM 703 CA LEU A 46 19.185 -0.799 2.118 1.00 0.00 C ATOM 704 C LEU A 46 20.599 -0.854 2.684 1.00 0.00 C ATOM 705 O LEU A 46 21.196 0.177 2.991 1.00 0.00 O ATOM 706 CB LEU A 46 19.121 0.187 0.949 1.00 0.00 C ATOM 707 CG LEU A 46 18.004 -0.072 -0.065 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.097 0.914 -1.219 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.068 -1.501 -0.580 1.00 0.00 C ATOM 0 H LEU A 46 18.349 0.531 3.504 1.00 0.00 H new ATOM 0 HA LEU A 46 18.908 -1.784 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.999 1.193 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.077 0.166 0.425 1.00 0.00 H new ATOM 0 HG LEU A 46 17.046 0.069 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.296 0.717 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.001 1.931 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.061 0.802 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.266 -1.665 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.030 -1.671 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.954 -2.194 0.254 1.00 0.00 H new ATOM 721 N THR A 47 21.129 -2.066 2.814 1.00 0.00 N ATOM 722 CA THR A 47 22.472 -2.260 3.349 1.00 0.00 C ATOM 723 C THR A 47 23.413 -2.775 2.274 1.00 0.00 C ATOM 724 O THR A 47 22.995 -3.508 1.376 1.00 0.00 O ATOM 725 CB THR A 47 22.475 -3.271 4.512 1.00 0.00 C ATOM 726 OG1 THR A 47 21.427 -2.961 5.438 1.00 0.00 O ATOM 727 CG2 THR A 47 23.813 -3.264 5.237 1.00 0.00 C ATOM 0 H THR A 47 20.649 -2.928 2.556 1.00 0.00 H new ATOM 0 HA THR A 47 22.809 -1.288 3.710 1.00 0.00 H new ATOM 0 HB THR A 47 22.310 -4.264 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.747 -2.297 6.084 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.788 -3.986 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.606 -3.532 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.004 -2.269 5.639 1.00 0.00 H new ATOM 735 N CYS A 48 24.681 -2.397 2.360 1.00 0.00 N ATOM 736 CA CYS A 48 25.656 -2.865 1.398 1.00 0.00 C ATOM 737 C CYS A 48 26.144 -4.233 1.846 1.00 0.00 C ATOM 738 O CYS A 48 26.693 -4.389 2.936 1.00 0.00 O ATOM 739 CB CYS A 48 26.817 -1.881 1.265 1.00 0.00 C ATOM 740 SG CYS A 48 28.031 -2.347 -0.008 1.00 0.00 S ATOM 0 H CYS A 48 25.051 -1.775 3.079 1.00 0.00 H new ATOM 0 HA CYS A 48 25.196 -2.941 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.419 -0.894 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.325 -1.800 2.226 1.00 0.00 H new ATOM 745 N ASN A 49 25.926 -5.221 0.995 1.00 0.00 N ATOM 746 CA ASN A 49 26.368 -6.576 1.277 1.00 0.00 C ATOM 747 C ASN A 49 27.674 -6.858 0.537 1.00 0.00 C ATOM 748 O ASN A 49 28.162 -6.011 -0.210 1.00 0.00 O ATOM 749 CB ASN A 49 25.290 -7.579 0.865 1.00 0.00 C ATOM 750 CG ASN A 49 24.714 -7.263 -0.498 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.111 -7.845 -1.504 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.777 -6.328 -0.535 1.00 0.00 N ATOM 0 H ASN A 49 25.445 -5.110 0.102 1.00 0.00 H new ATOM 0 HA ASN A 49 26.542 -6.680 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.714 -8.583 0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.491 -7.577 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.354 -6.065 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.478 -5.871 0.327 1.00 0.00 H new ATOM 759 N SER A 50 28.238 -8.042 0.743 1.00 0.00 N ATOM 760 CA SER A 50 29.484 -8.410 0.078 1.00 0.00 C ATOM 761 C SER A 50 29.172 -9.060 -1.269 1.00 0.00 C ATOM 762 O SER A 50 29.466 -10.232 -1.502 1.00 0.00 O ATOM 763 CB SER A 50 30.302 -9.360 0.954 1.00 0.00 C ATOM 764 OG SER A 50 31.501 -9.749 0.308 1.00 0.00 O ATOM 0 H SER A 50 27.857 -8.759 1.360 1.00 0.00 H new ATOM 0 HA SER A 50 30.076 -7.510 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.537 -8.874 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.709 -10.244 1.188 1.00 0.00 H new ATOM 0 HG SER A 50 31.287 -10.183 -0.544 1.00 0.00 H new ATOM 770 N ASP A 51 28.569 -8.264 -2.142 1.00 0.00 N ATOM 771 CA ASP A 51 28.178 -8.698 -3.480 1.00 0.00 C ATOM 772 C ASP A 51 28.227 -7.524 -4.446 1.00 0.00 C ATOM 773 O ASP A 51 27.923 -7.659 -5.632 1.00 0.00 O ATOM 774 CB ASP A 51 26.760 -9.256 -3.456 1.00 0.00 C ATOM 775 CG ASP A 51 26.593 -10.384 -2.458 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.396 -10.095 -1.259 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.663 -11.560 -2.874 1.00 0.00 O ATOM 0 H ASP A 51 28.335 -7.292 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 51 28.872 -9.472 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.063 -8.455 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.498 -9.615 -4.451 1.00 0.00 H new ATOM 782 N GLY A 52 28.619 -6.371 -3.918 1.00 0.00 N ATOM 783 CA GLY A 52 28.676 -5.174 -4.730 1.00 0.00 C ATOM 784 C GLY A 52 27.308 -4.749 -5.222 1.00 0.00 C ATOM 785 O GLY A 52 27.174 -3.966 -6.162 1.00 0.00 O ATOM 0 H GLY A 52 28.897 -6.245 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.119 -4.365 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.329 -5.348 -5.585 1.00 0.00 H new ATOM 789 N GLU A 53 26.298 -5.294 -4.558 1.00 0.00 N ATOM 790 CA GLU A 53 24.913 -4.974 -4.876 1.00 0.00 C ATOM 791 C GLU A 53 24.119 -4.714 -3.604 1.00 0.00 C ATOM 792 O GLU A 53 24.554 -5.068 -2.511 1.00 0.00 O ATOM 793 CB GLU A 53 24.267 -6.113 -5.669 1.00 0.00 C ATOM 794 CG GLU A 53 23.685 -7.217 -4.799 1.00 0.00 C ATOM 795 CD GLU A 53 23.083 -8.345 -5.612 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.918 -8.212 -6.041 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.777 -9.363 -5.821 1.00 0.00 O ATOM 0 H GLU A 53 26.412 -5.961 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 53 24.905 -4.071 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.475 -5.703 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.012 -6.545 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.468 -7.617 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.920 -6.795 -4.147 1.00 0.00 H new ATOM 804 N TRP A 54 22.968 -4.073 -3.753 1.00 0.00 N ATOM 805 CA TRP A 54 22.105 -3.776 -2.634 1.00 0.00 C ATOM 806 C TRP A 54 21.126 -4.916 -2.398 1.00 0.00 C ATOM 807 O TRP A 54 20.255 -5.201 -3.221 1.00 0.00 O ATOM 808 CB TRP A 54 21.375 -2.474 -2.923 1.00 0.00 C ATOM 809 CG TRP A 54 22.318 -1.330 -3.128 1.00 0.00 C ATOM 810 CD1 TRP A 54 23.090 -1.076 -4.224 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.603 -0.299 -2.191 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.830 0.066 -4.024 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.549 0.559 -2.776 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.139 -0.026 -0.914 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.042 1.682 -2.113 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.624 1.086 -0.251 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.569 1.929 -0.852 1.00 0.00 C ATOM 0 H TRP A 54 22.613 -3.748 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 54 22.696 -3.665 -1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.756 -2.596 -3.812 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.703 -2.245 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 54 23.116 -1.683 -5.117 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.480 0.478 -4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.411 -0.671 -0.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.769 2.332 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 22.270 1.308 0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 54 23.931 2.790 -0.310 1.00 0.00 H new ATOM 828 N VAL A 55 21.295 -5.559 -1.250 1.00 0.00 N ATOM 829 CA VAL A 55 20.478 -6.693 -0.848 1.00 0.00 C ATOM 830 C VAL A 55 19.357 -6.215 0.064 1.00 0.00 C ATOM 831 O VAL A 55 19.550 -5.276 0.837 1.00 0.00 O ATOM 832 CB VAL A 55 21.338 -7.739 -0.107 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.552 -8.431 0.991 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.900 -8.756 -1.087 1.00 0.00 C ATOM 0 H VAL A 55 22.009 -5.305 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 55 20.053 -7.155 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 55 22.168 -7.213 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.190 -9.160 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.210 -7.692 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.691 -8.939 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.504 -9.486 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.080 -9.266 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.520 -8.246 -1.825 1.00 0.00 H new ATOM 844 N TYR A 56 18.192 -6.860 -0.011 1.00 0.00 N ATOM 845 CA TYR A 56 17.087 -6.477 0.865 1.00 0.00 C ATOM 846 C TYR A 56 15.828 -7.304 0.619 1.00 0.00 C ATOM 847 O TYR A 56 15.772 -8.102 -0.317 1.00 0.00 O ATOM 848 CB TYR A 56 16.763 -4.990 0.684 1.00 0.00 C ATOM 849 CG TYR A 56 16.417 -4.616 -0.744 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.402 -4.525 -1.721 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.106 -4.354 -1.115 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.089 -4.184 -3.023 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.784 -4.012 -2.415 1.00 0.00 C ATOM 854 CZ TYR A 56 15.779 -3.929 -3.365 1.00 0.00 C ATOM 855 OH TYR A 56 15.462 -3.590 -4.660 1.00 0.00 O ATOM 0 H TYR A 56 17.992 -7.629 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 56 17.413 -6.670 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.928 -4.727 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.618 -4.398 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.430 -4.724 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.323 -4.418 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.867 -4.118 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.758 -3.811 -2.685 1.00 0.00 H new ATOM 0 HH TYR A 56 14.496 -3.444 -4.733 1.00 0.00 H new ATOM 865 N ASN A 57 14.821 -7.110 1.464 1.00 0.00 N ATOM 866 CA ASN A 57 13.565 -7.844 1.342 1.00 0.00 C ATOM 867 C ASN A 57 12.613 -7.134 0.385 1.00 0.00 C ATOM 868 O ASN A 57 12.911 -6.045 -0.104 1.00 0.00 O ATOM 869 CB ASN A 57 12.909 -7.994 2.717 1.00 0.00 C ATOM 870 CG ASN A 57 12.212 -9.329 2.890 1.00 0.00 C ATOM 871 OD1 ASN A 57 11.737 -9.926 1.924 1.00 0.00 O ATOM 872 ND2 ASN A 57 12.150 -9.807 4.127 1.00 0.00 N ATOM 0 H ASN A 57 14.849 -6.450 2.242 1.00 0.00 H new ATOM 0 HA ASN A 57 13.784 -8.833 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.668 -7.882 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.187 -7.190 2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.695 -10.702 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.557 -9.279 4.899 1.00 0.00 H new ATOM 879 N THR A 58 11.466 -7.752 0.122 1.00 0.00 N ATOM 880 CA THR A 58 10.475 -7.172 -0.776 1.00 0.00 C ATOM 881 C THR A 58 9.414 -6.410 0.009 1.00 0.00 C ATOM 882 O THR A 58 8.216 -6.528 -0.254 1.00 0.00 O ATOM 883 CB THR A 58 9.800 -8.254 -1.643 1.00 0.00 C ATOM 884 OG1 THR A 58 10.795 -9.106 -2.223 1.00 0.00 O ATOM 885 CG2 THR A 58 8.965 -7.625 -2.750 1.00 0.00 C ATOM 0 H THR A 58 11.200 -8.654 0.518 1.00 0.00 H new ATOM 0 HA THR A 58 11.000 -6.479 -1.434 1.00 0.00 H new ATOM 0 HB THR A 58 9.142 -8.840 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.359 -9.792 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.500 -8.410 -3.346 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.190 -6.997 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.606 -7.016 -3.388 1.00 0.00 H new ATOM 893 N PHE A 59 9.869 -5.628 0.979 1.00 0.00 N ATOM 894 CA PHE A 59 8.974 -4.828 1.802 1.00 0.00 C ATOM 895 C PHE A 59 8.068 -3.973 0.926 1.00 0.00 C ATOM 896 O PHE A 59 8.520 -3.383 -0.056 1.00 0.00 O ATOM 897 CB PHE A 59 9.788 -3.935 2.734 1.00 0.00 C ATOM 898 CG PHE A 59 10.847 -3.147 2.018 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.564 -1.894 1.495 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.120 -3.665 1.855 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.534 -1.175 0.825 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.093 -2.952 1.184 1.00 0.00 C ATOM 903 CZ PHE A 59 12.799 -1.705 0.669 1.00 0.00 C ATOM 0 H PHE A 59 10.857 -5.531 1.215 1.00 0.00 H new ATOM 0 HA PHE A 59 8.353 -5.498 2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.116 -3.247 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.258 -4.552 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.575 -1.476 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.355 -4.639 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.303 -0.199 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.082 -3.369 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.559 -1.144 0.144 1.00 0.00 H new ATOM 913 N CYS A 60 6.790 -3.916 1.281 1.00 0.00 N ATOM 914 CA CYS A 60 5.821 -3.131 0.523 1.00 0.00 C ATOM 915 C CYS A 60 5.707 -3.660 -0.899 1.00 0.00 C ATOM 916 O CYS A 60 6.589 -3.433 -1.727 1.00 0.00 O ATOM 917 CB CYS A 60 6.228 -1.655 0.506 1.00 0.00 C ATOM 918 SG CYS A 60 6.581 -0.962 2.153 1.00 0.00 S ATOM 0 H CYS A 60 6.400 -4.403 2.088 1.00 0.00 H new ATOM 0 HA CYS A 60 4.849 -3.220 1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.112 -1.540 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.430 -1.074 0.043 1.00 0.00 H new ATOM 923 N ILE A 61 4.619 -4.366 -1.182 1.00 0.00 N ATOM 924 CA ILE A 61 4.419 -4.937 -2.504 1.00 0.00 C ATOM 925 C ILE A 61 3.229 -4.315 -3.226 1.00 0.00 C ATOM 926 O ILE A 61 2.979 -4.639 -4.388 1.00 0.00 O ATOM 927 CB ILE A 61 4.225 -6.466 -2.432 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.844 -6.808 -1.867 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.323 -7.094 -1.584 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.560 -8.295 -1.823 1.00 0.00 C ATOM 0 H ILE A 61 3.868 -4.555 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 61 5.323 -4.713 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 61 4.289 -6.874 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.761 -6.401 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.081 -6.318 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.176 -8.173 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.295 -6.878 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.285 -6.681 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.565 -8.463 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.610 -8.705 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.301 -8.788 -1.194 1.00 0.00 H new ATOM 942 N TYR A 62 2.496 -3.426 -2.548 1.00 0.00 N ATOM 943 CA TYR A 62 1.340 -2.780 -3.172 1.00 0.00 C ATOM 944 C TYR A 62 0.254 -3.791 -3.501 1.00 0.00 C ATOM 945 O TYR A 62 0.489 -4.750 -4.234 1.00 0.00 O ATOM 946 CB TYR A 62 1.763 -2.079 -4.464 1.00 0.00 C ATOM 947 CG TYR A 62 1.190 -0.688 -4.612 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.179 -0.459 -4.563 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.027 0.400 -4.789 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.691 0.820 -4.690 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.528 1.679 -4.918 1.00 0.00 C ATOM 952 CZ TYR A 62 0.167 1.885 -4.868 1.00 0.00 C ATOM 953 OH TYR A 62 -0.336 3.157 -5.004 1.00 0.00 O ATOM 0 H TYR A 62 2.678 -3.142 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 62 0.946 -2.054 -2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.851 -2.020 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.451 -2.684 -5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.853 -1.291 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.095 0.244 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.758 0.984 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.200 2.513 -5.057 1.00 0.00 H new ATOM 0 HH TYR A 62 0.053 3.738 -4.317 1.00 0.00 H new ATOM 963 N LYS A 63 -0.943 -3.577 -2.964 1.00 0.00 N ATOM 964 CA LYS A 63 -2.066 -4.459 -3.241 1.00 0.00 C ATOM 965 C LYS A 63 -3.371 -3.824 -2.773 1.00 0.00 C ATOM 966 O LYS A 63 -3.927 -4.205 -1.742 1.00 0.00 O ATOM 967 CB LYS A 63 -1.855 -5.799 -2.534 1.00 0.00 C ATOM 968 CG LYS A 63 -1.550 -5.652 -1.052 1.00 0.00 C ATOM 969 CD LYS A 63 -1.455 -7.001 -0.358 1.00 0.00 C ATOM 970 CE LYS A 63 -0.040 -7.304 0.100 1.00 0.00 C ATOM 971 NZ LYS A 63 0.085 -8.682 0.651 1.00 0.00 N ATOM 0 H LYS A 63 -1.158 -2.802 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.127 -4.624 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.748 -6.411 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.035 -6.332 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.612 -5.112 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.328 -5.054 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.125 -7.015 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.792 -7.784 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.646 -7.185 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.258 -6.581 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.067 -8.848 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.550 -8.788 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.174 -9.374 -0.081 1.00 0.00 H new ATOM 985 N ARG A 64 -3.857 -2.854 -3.533 1.00 0.00 N ATOM 986 CA ARG A 64 -5.091 -2.159 -3.196 1.00 0.00 C ATOM 987 C ARG A 64 -6.303 -2.940 -3.689 1.00 0.00 C ATOM 988 O ARG A 64 -6.163 -3.993 -4.309 1.00 0.00 O ATOM 989 CB ARG A 64 -5.083 -0.759 -3.809 1.00 0.00 C ATOM 990 CG ARG A 64 -4.655 -0.741 -5.267 1.00 0.00 C ATOM 991 CD ARG A 64 -3.905 0.534 -5.608 1.00 0.00 C ATOM 992 NE ARG A 64 -4.764 1.713 -5.537 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.368 2.934 -5.885 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.136 3.133 -6.331 1.00 0.00 N ATOM 995 NH2 ARG A 64 -5.206 3.958 -5.787 1.00 0.00 N ATOM 0 H ARG A 64 -3.413 -2.529 -4.392 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.156 -2.075 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.081 -0.328 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.412 -0.122 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.021 -1.604 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.533 -0.831 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.067 0.655 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.487 0.451 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.720 1.593 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.489 2.349 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.835 4.071 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.155 3.809 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.901 4.894 -6.054 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.489 -2.409 -3.420 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.725 -3.056 -3.830 1.00 0.00 C ATOM 1011 C CYS A 65 -9.351 -2.271 -4.967 1.00 0.00 C ATOM 1012 O CYS A 65 -9.444 -1.045 -4.895 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.699 -3.138 -2.652 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.971 -3.823 -1.129 1.00 0.00 S ATOM 0 H CYS A 65 -7.619 -1.530 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.503 -4.069 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.082 -2.139 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.552 -3.752 -2.942 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.772 -2.964 -6.019 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.375 -2.283 -7.152 1.00 0.00 C ATOM 1021 C ARG A 66 -11.457 -1.334 -6.662 1.00 0.00 C ATOM 1022 O ARG A 66 -12.230 -1.672 -5.769 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.943 -3.283 -8.162 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.822 -2.647 -9.225 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.027 -1.697 -10.103 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.053 -2.404 -10.930 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.426 -1.853 -11.964 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.670 -0.593 -12.299 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.552 -2.562 -12.666 1.00 0.00 N ATOM 0 H ARG A 66 -9.708 -3.978 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.603 -1.708 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.118 -3.802 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.522 -4.036 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.271 -3.425 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.640 -2.107 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.709 -1.138 -10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.511 -0.970 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.842 -3.375 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.341 -0.043 -11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.187 -0.174 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.361 -3.531 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.071 -2.138 -13.459 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.498 -0.147 -7.249 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.476 0.864 -6.863 1.00 0.00 C ATOM 1045 C HIS A 67 -13.859 0.248 -6.667 1.00 0.00 C ATOM 1046 O HIS A 67 -14.431 -0.315 -7.602 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.543 1.965 -7.924 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.402 3.126 -7.529 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.698 3.291 -7.973 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.142 4.186 -6.729 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.196 4.404 -7.462 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.273 4.964 -6.703 1.00 0.00 N ATOM 0 H HIS A 67 -10.865 0.142 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.157 1.295 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.534 2.323 -8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.925 1.541 -8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.217 4.383 -6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.190 4.790 -7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.382 5.834 -6.182 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.407 0.340 -5.437 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.732 -0.187 -5.109 1.00 0.00 C ATOM 1063 C PRO A 68 -16.722 -0.018 -6.251 1.00 0.00 C ATOM 1064 O PRO A 68 -17.486 -0.928 -6.573 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.141 0.694 -3.934 1.00 0.00 C ATOM 1066 CG PRO A 68 -14.864 0.978 -3.219 1.00 0.00 C ATOM 1067 CD PRO A 68 -13.777 0.984 -4.267 1.00 0.00 C ATOM 0 HA PRO A 68 -15.718 -1.257 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.618 1.613 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.854 0.185 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.913 1.938 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.667 0.220 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.450 1.998 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.898 0.433 -3.933 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.696 1.160 -6.857 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.622 1.474 -7.923 1.00 0.00 C ATOM 1077 C GLY A 69 -18.844 2.152 -7.360 1.00 0.00 C ATOM 1078 O GLY A 69 -19.370 1.753 -6.325 1.00 0.00 O ATOM 0 H GLY A 69 -16.044 1.909 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.141 2.123 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.910 0.562 -8.446 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.273 3.189 -8.051 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.439 3.972 -7.658 1.00 0.00 C ATOM 1084 C GLU A 70 -21.524 3.119 -7.013 1.00 0.00 C ATOM 1085 O GLU A 70 -21.836 2.018 -7.467 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.006 4.723 -8.862 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.179 5.628 -8.520 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.734 6.347 -9.733 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.174 7.399 -10.107 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.729 5.859 -10.308 1.00 0.00 O ATOM 0 H GLU A 70 -18.824 3.518 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.103 4.688 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.214 5.323 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.323 4.000 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.969 5.034 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.862 6.363 -7.780 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.088 3.662 -5.944 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.175 3.024 -5.219 1.00 0.00 C ATOM 1099 C LEU A 71 -24.453 3.788 -5.551 1.00 0.00 C ATOM 1100 O LEU A 71 -24.681 4.882 -5.035 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.883 3.035 -3.710 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.091 2.808 -2.802 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.644 1.402 -2.969 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.735 3.075 -1.346 1.00 0.00 C ATOM 0 H LEU A 71 -21.803 4.561 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.285 1.980 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.141 2.266 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.432 3.993 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.867 3.514 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.503 1.268 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.953 1.253 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.873 0.675 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.611 2.906 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.934 2.402 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.404 4.108 -1.236 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.270 3.216 -6.432 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.505 3.874 -6.857 1.00 0.00 C ATOM 1118 C ARG A 72 -27.443 4.123 -5.682 1.00 0.00 C ATOM 1119 O ARG A 72 -27.800 3.213 -4.932 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.204 3.090 -7.970 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.470 3.753 -8.484 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.015 3.036 -9.709 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.154 3.736 -10.295 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.664 3.446 -11.488 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.140 2.468 -12.216 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.699 4.131 -11.954 1.00 0.00 N ATOM 0 H ARG A 72 -25.103 2.307 -6.863 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.228 4.846 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.510 2.959 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.450 2.094 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.225 3.758 -7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.262 4.794 -8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.225 2.942 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.315 2.025 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.583 4.490 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.345 1.937 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.533 2.247 -13.131 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.106 4.882 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.089 3.907 -12.870 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.818 5.397 -5.553 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.675 5.885 -4.477 1.00 0.00 C ATOM 1142 C ASN A 73 -27.858 5.953 -3.197 1.00 0.00 C ATOM 1143 O ASN A 73 -28.363 6.343 -2.146 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.912 5.004 -4.297 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.727 4.888 -5.569 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.800 5.827 -6.362 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.344 3.730 -5.774 1.00 0.00 N ATOM 0 H ASN A 73 -27.529 6.127 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.038 6.880 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.603 4.010 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.537 5.416 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.905 3.593 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.257 2.978 -5.091 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.593 5.571 -3.295 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.745 5.600 -2.123 1.00 0.00 C ATOM 1156 C GLY A 74 -24.439 6.340 -2.324 1.00 0.00 C ATOM 1157 O GLY A 74 -24.208 6.959 -3.363 1.00 0.00 O ATOM 0 H GLY A 74 -26.144 5.246 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.292 6.066 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.527 4.576 -1.820 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.586 6.269 -1.306 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.291 6.939 -1.344 1.00 0.00 C ATOM 1163 C GLN A 75 -21.183 6.033 -0.814 1.00 0.00 C ATOM 1164 O GLN A 75 -21.375 5.295 0.154 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.338 8.236 -0.534 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.290 9.275 -1.104 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.354 10.536 -0.264 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.571 11.631 -0.784 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.172 10.389 1.044 1.00 0.00 N ATOM 0 H GLN A 75 -23.769 5.754 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.069 7.176 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.635 8.005 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.336 8.661 -0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.976 9.533 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.288 8.844 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -22.995 9.463 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.210 11.202 1.659 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.025 6.097 -1.461 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.879 5.290 -1.055 1.00 0.00 C ATOM 1180 C VAL A 76 -17.836 6.162 -0.365 1.00 0.00 C ATOM 1181 O VAL A 76 -17.172 6.973 -1.011 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.225 4.575 -2.252 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.080 3.688 -1.782 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.259 3.762 -3.018 1.00 0.00 C ATOM 0 H VAL A 76 -19.854 6.698 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.250 4.533 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.818 5.329 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.629 3.190 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.329 4.299 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.461 2.939 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.779 3.264 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.697 3.015 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.042 4.424 -3.387 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.693 5.996 0.944 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.731 6.783 1.707 1.00 0.00 C ATOM 1196 C GLU A 77 -15.296 6.355 1.406 1.00 0.00 C ATOM 1197 O GLU A 77 -14.745 5.484 2.079 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.008 6.655 3.206 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.013 7.406 4.077 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.298 7.252 5.556 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.818 6.265 6.154 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -17.001 8.117 6.120 1.00 0.00 O ATOM 0 H GLU A 77 -18.228 5.327 1.498 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.845 7.825 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.012 7.025 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.994 5.600 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.006 7.045 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.034 8.464 3.815 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.701 6.965 0.387 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.324 6.665 0.014 1.00 0.00 C ATOM 1211 C ILE A 78 -12.396 7.755 0.533 1.00 0.00 C ATOM 1212 O ILE A 78 -12.526 8.921 0.160 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.160 6.531 -1.513 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.987 5.352 -2.038 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.693 6.362 -1.880 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.604 4.019 -1.429 1.00 0.00 C ATOM 0 H ILE A 78 -15.151 7.671 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.062 5.708 0.465 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.526 7.444 -1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.042 5.543 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.872 5.293 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.597 6.269 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.130 7.231 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.299 5.465 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.232 3.233 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.558 3.805 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.746 4.058 -0.349 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.459 7.373 1.394 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.534 8.333 1.983 1.00 0.00 C ATOM 1230 C LYS A 79 -9.187 7.704 2.283 1.00 0.00 C ATOM 1231 O LYS A 79 -8.438 8.194 3.128 1.00 0.00 O ATOM 1232 CB LYS A 79 -11.120 8.894 3.275 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.254 7.865 4.397 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.106 6.678 3.996 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.325 5.747 5.173 1.00 0.00 C ATOM 1236 NZ LYS A 79 -11.059 5.463 5.903 1.00 0.00 N ATOM 0 H LYS A 79 -11.321 6.409 1.698 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.386 9.133 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.490 9.714 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.103 9.315 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.263 7.516 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.692 8.343 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.068 7.026 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.622 6.136 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.046 6.192 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.757 4.811 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.277 4.996 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.459 4.839 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.556 6.355 6.086 1.00 0.00 H new ATOM 1250 N THR A 80 -8.878 6.630 1.585 1.00 0.00 N ATOM 1251 CA THR A 80 -7.615 5.953 1.803 1.00 0.00 C ATOM 1252 C THR A 80 -7.076 5.385 0.510 1.00 0.00 C ATOM 1253 O THR A 80 -6.126 4.603 0.517 1.00 0.00 O ATOM 1254 CB THR A 80 -7.766 4.816 2.831 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.679 3.829 2.340 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.264 5.358 4.164 1.00 0.00 C ATOM 0 H THR A 80 -9.474 6.211 0.871 1.00 0.00 H new ATOM 0 HA THR A 80 -6.914 6.693 2.190 1.00 0.00 H new ATOM 0 HB THR A 80 -6.788 4.360 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.357 3.643 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.364 4.538 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.552 6.088 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.233 5.836 4.023 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.683 5.784 -0.606 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.246 5.287 -1.906 1.00 0.00 C ATOM 1266 C ASP A 81 -7.346 3.775 -1.950 1.00 0.00 C ATOM 1267 O ASP A 81 -6.884 3.134 -2.895 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.800 5.675 -2.149 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.611 7.172 -2.298 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.395 7.848 -1.271 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.677 7.667 -3.443 1.00 0.00 O ATOM 0 H ASP A 81 -8.465 6.438 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.887 5.724 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.188 5.317 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.441 5.177 -3.049 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.948 3.219 -0.911 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.112 1.784 -0.793 1.00 0.00 C ATOM 1278 C LEU A 82 -6.742 1.117 -0.687 1.00 0.00 C ATOM 1279 O LEU A 82 -6.423 0.205 -1.448 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.881 1.283 -2.002 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.161 2.066 -2.280 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.245 2.463 -3.744 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.374 1.259 -1.870 1.00 0.00 C ATOM 0 H LEU A 82 -8.334 3.749 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.673 1.535 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.236 1.334 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.133 0.233 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.140 2.980 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.166 3.020 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.389 3.087 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.240 1.567 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.278 1.832 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.399 0.327 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.319 1.036 -0.804 1.00 0.00 H new ATOM 1295 N SER A 83 -5.950 1.573 0.272 1.00 0.00 N ATOM 1296 CA SER A 83 -4.605 1.038 0.462 1.00 0.00 C ATOM 1297 C SER A 83 -4.599 -0.219 1.330 1.00 0.00 C ATOM 1298 O SER A 83 -3.651 -0.448 2.082 1.00 0.00 O ATOM 1299 CB SER A 83 -3.698 2.103 1.079 1.00 0.00 C ATOM 1300 OG SER A 83 -4.191 2.530 2.337 1.00 0.00 O ATOM 0 H SER A 83 -6.211 2.308 0.929 1.00 0.00 H new ATOM 0 HA SER A 83 -4.226 0.758 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.691 1.703 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.625 2.957 0.405 1.00 0.00 H new ATOM 0 HG SER A 83 -3.591 3.210 2.710 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.637 -1.045 1.202 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.745 -2.288 1.968 1.00 0.00 C ATOM 1308 C PHE A 84 -5.714 -2.032 3.474 1.00 0.00 C ATOM 1309 O PHE A 84 -4.926 -1.225 3.964 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.620 -3.254 1.582 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.494 -4.434 2.504 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.406 -5.476 2.449 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.463 -4.498 3.428 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.292 -6.560 3.299 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.344 -5.580 4.280 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.260 -6.612 4.216 1.00 0.00 C ATOM 0 H PHE A 84 -6.420 -0.875 0.571 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.708 -2.737 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.794 -3.614 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.675 -2.711 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.215 -5.441 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.745 -3.694 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.009 -7.366 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.536 -5.618 4.995 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.170 -7.458 4.881 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.578 -2.727 4.204 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.624 -2.570 5.643 1.00 0.00 C ATOM 1328 C GLY A 85 -7.530 -1.438 6.077 1.00 0.00 C ATOM 1329 O GLY A 85 -7.439 -0.965 7.209 1.00 0.00 O ATOM 0 H GLY A 85 -7.247 -3.396 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.969 -3.500 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.617 -2.388 6.017 1.00 0.00 H new ATOM 1333 N SER A 86 -8.408 -0.999 5.178 1.00 0.00 N ATOM 1334 CA SER A 86 -9.327 0.087 5.495 1.00 0.00 C ATOM 1335 C SER A 86 -10.778 -0.341 5.366 1.00 0.00 C ATOM 1336 O SER A 86 -11.106 -1.327 4.704 1.00 0.00 O ATOM 1337 CB SER A 86 -9.076 1.302 4.601 1.00 0.00 C ATOM 1338 OG SER A 86 -9.073 0.940 3.232 1.00 0.00 O ATOM 0 H SER A 86 -8.501 -1.375 4.234 1.00 0.00 H new ATOM 0 HA SER A 86 -9.138 0.359 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.846 2.053 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.120 1.757 4.861 1.00 0.00 H new ATOM 0 HG SER A 86 -8.923 1.738 2.683 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.636 0.428 6.014 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.065 0.177 6.000 1.00 0.00 C ATOM 1346 C GLN A 87 -13.791 1.393 5.436 1.00 0.00 C ATOM 1347 O GLN A 87 -13.485 2.528 5.800 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.558 -0.155 7.415 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.017 0.192 7.676 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.187 1.603 8.204 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.099 1.843 9.408 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -15.447 2.543 7.306 1.00 0.00 N ATOM 0 H GLN A 87 -11.361 1.242 6.563 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.278 -0.680 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.414 -1.220 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.937 0.377 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.585 0.081 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.434 -0.515 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.511 2.300 6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.583 3.509 7.604 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.731 1.155 4.528 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.497 2.240 3.926 1.00 0.00 C ATOM 1363 C ILE A 88 -16.987 2.053 4.181 1.00 0.00 C ATOM 1364 O ILE A 88 -17.546 0.988 3.917 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.246 2.342 2.406 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.677 1.054 1.700 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.779 2.636 2.132 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.641 1.150 0.191 1.00 0.00 C ATOM 0 H ILE A 88 -14.980 0.224 4.194 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.161 3.166 4.393 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.844 3.163 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.027 0.239 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.688 0.797 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.617 2.705 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.503 3.580 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.165 1.834 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.959 0.201 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.313 1.942 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.626 1.376 -0.135 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.625 3.091 4.706 1.00 0.00 N ATOM 1381 CA GLU A 89 -19.049 3.033 5.000 1.00 0.00 C ATOM 1382 C GLU A 89 -19.864 3.542 3.815 1.00 0.00 C ATOM 1383 O GLU A 89 -19.331 4.188 2.913 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.371 3.853 6.249 1.00 0.00 C ATOM 1385 CG GLU A 89 -20.720 3.521 6.864 1.00 0.00 C ATOM 1386 CD GLU A 89 -20.991 4.305 8.132 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -20.601 3.830 9.220 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -21.594 5.395 8.039 1.00 0.00 O ATOM 0 H GLU A 89 -17.180 3.980 4.936 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.316 1.993 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.592 3.688 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.348 4.912 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -21.507 3.728 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -20.762 2.454 7.085 1.00 0.00 H new ATOM 1395 N PHE A 90 -21.156 3.246 3.828 1.00 0.00 N ATOM 1396 CA PHE A 90 -22.050 3.666 2.757 1.00 0.00 C ATOM 1397 C PHE A 90 -23.182 4.525 3.304 1.00 0.00 C ATOM 1398 O PHE A 90 -23.246 4.798 4.503 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.620 2.444 2.038 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.561 1.506 1.537 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.946 1.721 0.312 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -21.179 0.409 2.292 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.973 0.857 -0.150 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.206 -0.457 1.833 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.601 -0.233 0.611 1.00 0.00 C ATOM 0 H PHE A 90 -21.610 2.715 4.571 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.477 4.262 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.281 1.906 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.229 2.776 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.231 2.573 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.647 0.229 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.503 1.034 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.918 -1.310 2.430 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.839 -0.909 0.252 1.00 0.00 H new ATOM 1415 N SER A 91 -24.070 4.946 2.417 1.00 0.00 N ATOM 1416 CA SER A 91 -25.194 5.780 2.819 1.00 0.00 C ATOM 1417 C SER A 91 -26.313 5.742 1.792 1.00 0.00 C ATOM 1418 O SER A 91 -26.156 6.216 0.669 1.00 0.00 O ATOM 1419 CB SER A 91 -24.742 7.222 3.038 1.00 0.00 C ATOM 1420 OG SER A 91 -24.088 7.733 1.891 1.00 0.00 O ATOM 0 H SER A 91 -24.036 4.727 1.421 1.00 0.00 H new ATOM 0 HA SER A 91 -25.578 5.378 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.605 7.844 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.070 7.269 3.895 1.00 0.00 H new ATOM 0 HG SER A 91 -24.551 7.422 1.085 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.445 5.183 2.194 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.590 5.104 1.302 1.00 0.00 C ATOM 1428 C CYS A 92 -29.412 6.379 1.428 1.00 0.00 C ATOM 1429 O CYS A 92 -29.942 6.687 2.496 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.441 3.870 1.603 1.00 0.00 C ATOM 1431 SG CYS A 92 -30.516 3.369 0.228 1.00 0.00 S ATOM 0 H CYS A 92 -27.594 4.782 3.120 1.00 0.00 H new ATOM 0 HA CYS A 92 -28.235 5.007 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.783 3.040 1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.057 4.070 2.480 1.00 0.00 H new ATOM 1436 N SER A 93 -29.499 7.119 0.329 1.00 0.00 N ATOM 1437 CA SER A 93 -30.235 8.384 0.308 1.00 0.00 C ATOM 1438 C SER A 93 -31.611 8.269 0.958 1.00 0.00 C ATOM 1439 O SER A 93 -32.119 7.172 1.194 1.00 0.00 O ATOM 1440 CB SER A 93 -30.398 8.886 -1.127 1.00 0.00 C ATOM 1441 OG SER A 93 -30.783 7.836 -1.996 1.00 0.00 O ATOM 0 H SER A 93 -29.070 6.867 -0.561 1.00 0.00 H new ATOM 0 HA SER A 93 -29.647 9.095 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 93 -31.146 9.678 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.460 9.321 -1.472 1.00 0.00 H new ATOM 0 HG SER A 93 -31.726 7.617 -1.846 1.00 0.00 H new ATOM 1447 N GLU A 94 -32.201 9.429 1.238 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.521 9.514 1.853 1.00 0.00 C ATOM 1449 C GLU A 94 -34.510 8.559 1.185 1.00 0.00 C ATOM 1450 O GLU A 94 -34.356 8.198 0.017 1.00 0.00 O ATOM 1451 CB GLU A 94 -34.032 10.956 1.761 1.00 0.00 C ATOM 1452 CG GLU A 94 -35.525 11.098 1.989 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.984 12.543 1.981 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -36.287 13.064 0.886 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -36.039 13.154 3.069 1.00 0.00 O ATOM 0 H GLU A 94 -31.776 10.336 1.044 1.00 0.00 H new ATOM 0 HA GLU A 94 -33.435 9.220 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -33.503 11.565 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.786 11.356 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -36.060 10.547 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.787 10.643 2.944 1.00 0.00 H new ATOM 1462 N GLY A 95 -35.527 8.160 1.945 1.00 0.00 N ATOM 1463 CA GLY A 95 -36.542 7.258 1.430 1.00 0.00 C ATOM 1464 C GLY A 95 -36.101 5.809 1.418 1.00 0.00 C ATOM 1465 O GLY A 95 -36.903 4.913 1.676 1.00 0.00 O ATOM 0 H GLY A 95 -35.666 8.448 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -37.443 7.352 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.806 7.559 0.416 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.828 5.571 1.124 1.00 0.00 N ATOM 1470 CA PHE A 96 -34.311 4.207 1.068 1.00 0.00 C ATOM 1471 C PHE A 96 -33.335 3.975 2.217 1.00 0.00 C ATOM 1472 O PHE A 96 -32.794 4.927 2.781 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.607 3.945 -0.264 1.00 0.00 C ATOM 1474 CG PHE A 96 -34.005 4.886 -1.361 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -35.262 4.811 -1.937 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.116 5.843 -1.817 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.627 5.678 -2.949 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.475 6.713 -2.829 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.733 6.630 -3.396 1.00 0.00 C ATOM 0 H PHE A 96 -34.140 6.296 0.922 1.00 0.00 H new ATOM 0 HA PHE A 96 -35.151 3.519 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.530 4.014 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.820 2.924 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.964 4.067 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.132 5.911 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.611 5.611 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -32.773 7.457 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.016 7.309 -4.187 1.00 0.00 H new ATOM 1489 N PHE A 97 -33.112 2.712 2.564 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.196 2.383 3.649 1.00 0.00 C ATOM 1491 C PHE A 97 -31.047 1.514 3.157 1.00 0.00 C ATOM 1492 O PHE A 97 -31.081 0.953 2.063 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.944 1.707 4.807 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.433 0.314 4.522 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.399 0.083 3.556 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.942 -0.763 5.243 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.865 -1.195 3.313 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.401 -2.045 5.002 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.366 -2.260 4.037 1.00 0.00 C ATOM 0 H PHE A 97 -33.548 1.907 2.115 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.768 3.314 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.285 1.674 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.798 2.327 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.792 0.912 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.192 -0.599 6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.619 -1.361 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.006 -2.876 5.567 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.730 -3.259 3.849 1.00 0.00 H new ATOM 1509 N LEU A 98 -30.030 1.423 4.005 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.833 0.648 3.700 1.00 0.00 C ATOM 1511 C LEU A 98 -29.048 -0.826 4.016 1.00 0.00 C ATOM 1512 O LEU A 98 -29.634 -1.172 5.042 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.649 1.201 4.507 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.259 0.698 4.097 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -26.039 -0.733 4.563 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.065 0.815 2.592 1.00 0.00 C ATOM 0 H LEU A 98 -30.011 1.880 4.917 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.617 0.734 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.658 2.288 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.806 0.957 5.558 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.515 1.327 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -25.046 -1.066 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -26.121 -0.779 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.792 -1.381 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.073 0.453 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.820 0.218 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.164 1.858 2.292 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.566 -1.695 3.128 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.673 -3.142 3.287 1.00 0.00 C ATOM 1530 C ILE A 99 -27.622 -3.823 2.430 1.00 0.00 C ATOM 1531 O ILE A 99 -27.658 -3.761 1.203 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.046 -3.676 2.841 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.018 -2.526 2.623 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.595 -4.656 3.866 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.157 -2.860 1.687 1.00 0.00 C ATOM 0 H ILE A 99 -28.087 -1.411 2.273 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.534 -3.357 4.347 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.922 -4.204 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.428 -2.222 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.472 -1.671 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.566 -5.023 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.907 -5.495 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.706 -4.153 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.807 -1.992 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.757 -3.135 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.729 -3.694 2.093 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.695 -4.480 3.102 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.613 -5.161 2.420 1.00 0.00 C ATOM 1549 C GLY A 100 -24.277 -4.839 3.042 1.00 0.00 C ATOM 1550 O GLY A 100 -23.297 -4.584 2.341 1.00 0.00 O ATOM 0 H GLY A 100 -26.670 -4.556 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.781 -6.237 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.605 -4.872 1.369 1.00 0.00 H new ATOM 1554 N SER A 101 -24.248 -4.847 4.367 1.00 0.00 N ATOM 1555 CA SER A 101 -23.039 -4.537 5.116 1.00 0.00 C ATOM 1556 C SER A 101 -22.642 -3.083 4.892 1.00 0.00 C ATOM 1557 O SER A 101 -22.032 -2.745 3.877 1.00 0.00 O ATOM 1558 CB SER A 101 -21.894 -5.468 4.710 1.00 0.00 C ATOM 1559 OG SER A 101 -20.722 -5.191 5.456 1.00 0.00 O ATOM 0 H SER A 101 -25.056 -5.067 4.950 1.00 0.00 H new ATOM 0 HA SER A 101 -23.243 -4.689 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.192 -6.505 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.687 -5.353 3.646 1.00 0.00 H new ATOM 0 HG SER A 101 -20.243 -4.441 5.046 1.00 0.00 H new ATOM 1565 N THR A 102 -22.995 -2.225 5.845 1.00 0.00 N ATOM 1566 CA THR A 102 -22.678 -0.807 5.744 1.00 0.00 C ATOM 1567 C THR A 102 -21.181 -0.586 5.800 1.00 0.00 C ATOM 1568 O THR A 102 -20.698 0.526 5.583 1.00 0.00 O ATOM 1569 CB THR A 102 -23.358 0.005 6.854 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.905 1.364 6.823 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.059 -0.608 8.204 1.00 0.00 C ATOM 0 H THR A 102 -23.499 -2.487 6.692 1.00 0.00 H new ATOM 0 HA THR A 102 -23.058 -0.461 4.783 1.00 0.00 H new ATOM 0 HB THR A 102 -24.435 -0.011 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.263 1.478 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.546 -0.024 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.433 -1.632 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 102 -21.982 -0.611 8.372 1.00 0.00 H new ATOM 1579 N THR A 103 -20.450 -1.644 6.089 1.00 0.00 N ATOM 1580 CA THR A 103 -19.010 -1.561 6.146 1.00 0.00 C ATOM 1581 C THR A 103 -18.394 -2.356 5.007 1.00 0.00 C ATOM 1582 O THR A 103 -19.018 -3.270 4.469 1.00 0.00 O ATOM 1583 CB THR A 103 -18.474 -2.067 7.485 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.967 -3.386 7.752 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.875 -1.124 8.606 1.00 0.00 C ATOM 0 H THR A 103 -20.832 -2.569 6.287 1.00 0.00 H new ATOM 0 HA THR A 103 -18.732 -0.512 6.046 1.00 0.00 H new ATOM 0 HB THR A 103 -17.386 -2.103 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.615 -3.699 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.486 -1.498 9.553 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.465 -0.133 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.962 -1.063 8.659 1.00 0.00 H new ATOM 1593 N SER A 104 -17.171 -2.006 4.643 1.00 0.00 N ATOM 1594 CA SER A 104 -16.453 -2.713 3.597 1.00 0.00 C ATOM 1595 C SER A 104 -14.960 -2.653 3.882 1.00 0.00 C ATOM 1596 O SER A 104 -14.346 -1.589 3.818 1.00 0.00 O ATOM 1597 CB SER A 104 -16.764 -2.119 2.223 1.00 0.00 C ATOM 1598 OG SER A 104 -18.062 -2.487 1.794 1.00 0.00 O ATOM 0 H SER A 104 -16.653 -1.232 5.060 1.00 0.00 H new ATOM 0 HA SER A 104 -16.776 -3.754 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.686 -1.033 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.026 -2.463 1.498 1.00 0.00 H new ATOM 0 HG SER A 104 -18.522 -1.701 1.432 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.382 -3.804 4.195 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.965 -3.888 4.522 1.00 0.00 C ATOM 1606 C ARG A 105 -12.154 -4.388 3.335 1.00 0.00 C ATOM 1607 O ARG A 105 -12.680 -5.051 2.441 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.758 -4.811 5.724 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.601 -4.428 6.929 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.389 -5.387 8.090 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.213 -5.037 9.245 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.208 -5.714 10.389 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.425 -6.776 10.531 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.986 -5.330 11.392 1.00 0.00 N ATOM 0 H ARG A 105 -14.875 -4.696 4.230 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.616 -2.886 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.997 -5.834 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.705 -4.797 6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.349 -3.415 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.654 -4.422 6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.625 -6.402 7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.338 -5.380 8.379 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.827 -4.226 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.826 -7.074 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.423 -7.294 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.589 -4.514 11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.981 -5.850 12.269 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.866 -4.071 3.341 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.971 -4.483 2.271 1.00 0.00 C ATOM 1630 C CYS A 106 -9.146 -5.680 2.711 1.00 0.00 C ATOM 1631 O CYS A 106 -8.345 -5.589 3.641 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.051 -3.331 1.863 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.534 -2.508 0.311 1.00 0.00 S ATOM 0 H CYS A 106 -10.418 -3.528 4.079 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.573 -4.766 1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.035 -2.592 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.035 -3.711 1.759 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.350 -6.801 2.038 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.653 -8.027 2.377 1.00 0.00 C ATOM 1640 C GLU A 107 -7.783 -8.490 1.218 1.00 0.00 C ATOM 1641 O GLU A 107 -7.819 -7.908 0.134 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.671 -9.103 2.753 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.059 -10.345 3.380 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.074 -11.447 3.600 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.386 -12.170 2.630 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.559 -11.590 4.743 1.00 0.00 O ATOM 0 H GLU A 107 -9.995 -6.885 1.252 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.999 -7.841 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.394 -8.677 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.222 -9.395 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.260 -10.715 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.604 -10.079 4.334 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.994 -9.528 1.457 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.118 -10.050 0.422 1.00 0.00 C ATOM 1655 C VAL A 108 -6.108 -11.570 0.353 1.00 0.00 C ATOM 1656 O VAL A 108 -5.967 -12.268 1.357 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.680 -9.529 0.585 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.705 -10.329 -0.267 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.626 -8.062 0.211 1.00 0.00 C ATOM 0 H VAL A 108 -6.943 -10.020 2.349 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.530 -9.684 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.385 -9.648 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.697 -9.938 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.732 -11.376 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.987 -10.247 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.606 -7.694 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.940 -7.939 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.292 -7.496 0.862 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.262 -12.051 -0.870 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.256 -13.477 -1.150 1.00 0.00 C ATOM 1671 C GLN A 109 -5.133 -13.802 -2.124 1.00 0.00 C ATOM 1672 O GLN A 109 -5.247 -13.547 -3.323 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.613 -13.899 -1.715 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.775 -13.546 -0.798 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.108 -13.481 -1.519 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.327 -14.176 -2.511 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.011 -12.640 -1.017 1.00 0.00 N ATOM 0 H GLN A 109 -6.394 -11.465 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.083 -14.032 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.762 -13.420 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.609 -14.975 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.837 -14.286 0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.577 -12.584 -0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.786 -12.083 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.927 -12.553 -1.457 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.042 -14.358 -1.597 1.00 0.00 N ATOM 1687 CA ASP A 110 -2.884 -14.685 -2.414 1.00 0.00 C ATOM 1688 C ASP A 110 -2.318 -13.410 -3.030 1.00 0.00 C ATOM 1689 O ASP A 110 -2.449 -12.330 -2.453 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.271 -15.684 -3.504 1.00 0.00 C ATOM 1691 CG ASP A 110 -3.548 -17.067 -2.948 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -2.597 -17.872 -2.858 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.716 -17.346 -2.603 1.00 0.00 O ATOM 0 H ASP A 110 -3.940 -14.589 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.119 -15.144 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.156 -15.322 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.468 -15.745 -4.239 1.00 0.00 H new ATOM 1698 N ARG A 111 -1.686 -13.527 -4.191 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.125 -12.374 -4.867 1.00 0.00 C ATOM 1700 C ARG A 111 -2.214 -11.573 -5.569 1.00 0.00 C ATOM 1701 O ARG A 111 -1.985 -10.985 -6.626 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.066 -12.824 -5.872 1.00 0.00 C ATOM 1703 CG ARG A 111 1.180 -13.404 -5.224 1.00 0.00 C ATOM 1704 CD ARG A 111 2.259 -13.699 -6.254 1.00 0.00 C ATOM 1705 NE ARG A 111 3.454 -14.275 -5.642 1.00 0.00 N ATOM 1706 CZ ARG A 111 4.659 -14.244 -6.205 1.00 0.00 C ATOM 1707 NH1 ARG A 111 4.831 -13.664 -7.384 1.00 0.00 N ATOM 1708 NH2 ARG A 111 5.694 -14.796 -5.584 1.00 0.00 N ATOM 0 H ARG A 111 -1.551 -14.411 -4.681 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.658 -11.730 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.501 -13.571 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.219 -11.974 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.565 -12.704 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.922 -14.320 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.867 -14.387 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.525 -12.779 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 111 3.359 -14.726 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.038 -13.239 -7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.757 -13.643 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.565 -15.243 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.618 -14.773 -6.014 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.399 -11.549 -4.968 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.505 -10.816 -5.541 1.00 0.00 C ATOM 1724 C GLY A 112 -5.506 -10.376 -4.502 1.00 0.00 C ATOM 1725 O GLY A 112 -6.485 -11.073 -4.229 1.00 0.00 O ATOM 0 H GLY A 112 -3.610 -12.027 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.123 -9.941 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.005 -11.440 -6.282 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.245 -9.217 -3.920 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.116 -8.636 -2.904 1.00 0.00 C ATOM 1731 C VAL A 113 -7.581 -8.806 -3.282 1.00 0.00 C ATOM 1732 O VAL A 113 -7.945 -8.754 -4.457 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.794 -7.142 -2.686 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.883 -6.638 -3.788 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.057 -6.300 -2.589 1.00 0.00 C ATOM 0 H VAL A 113 -4.425 -8.651 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.934 -9.168 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.275 -7.045 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.663 -5.583 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.954 -7.208 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.376 -6.760 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.787 -5.255 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.629 -6.395 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.661 -6.645 -1.750 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.411 -9.004 -2.270 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.816 -9.206 -2.550 1.00 0.00 C ATOM 1747 C GLY A 114 -10.723 -8.192 -1.880 1.00 0.00 C ATOM 1748 O GLY A 114 -10.407 -7.697 -0.797 1.00 0.00 O ATOM 0 H GLY A 114 -8.147 -9.028 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.972 -9.164 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.102 -10.206 -2.225 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.850 -7.878 -2.512 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.813 -6.945 -1.938 1.00 0.00 C ATOM 1754 C TRP A 115 -13.829 -7.701 -1.089 1.00 0.00 C ATOM 1755 O TRP A 115 -14.555 -8.557 -1.594 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.547 -6.156 -3.027 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.402 -4.669 -2.891 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.083 -3.786 -3.882 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.568 -3.890 -1.699 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.044 -2.507 -3.381 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.337 -2.545 -2.045 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.892 -4.197 -0.375 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.419 -1.512 -1.115 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.971 -3.171 0.546 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.736 -1.843 0.173 1.00 0.00 C ATOM 0 H TRP A 115 -12.118 -8.256 -3.421 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.262 -6.240 -1.316 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.170 -6.462 -4.003 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.606 -6.414 -3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.889 -4.054 -4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.831 -1.666 -3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.077 -5.218 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.239 -0.486 -1.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.219 -3.398 1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.806 -1.064 0.918 1.00 0.00 H new ATOM 1776 N SER A 116 -13.877 -7.383 0.199 1.00 0.00 N ATOM 1777 CA SER A 116 -14.806 -8.042 1.109 1.00 0.00 C ATOM 1778 C SER A 116 -16.247 -7.882 0.630 1.00 0.00 C ATOM 1779 O SER A 116 -16.899 -8.860 0.265 1.00 0.00 O ATOM 1780 CB SER A 116 -14.659 -7.475 2.522 1.00 0.00 C ATOM 1781 OG SER A 116 -13.349 -7.677 3.021 1.00 0.00 O ATOM 0 H SER A 116 -13.286 -6.676 0.636 1.00 0.00 H new ATOM 0 HA SER A 116 -14.565 -9.105 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.888 -6.409 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.381 -7.952 3.185 1.00 0.00 H new ATOM 0 HG SER A 116 -12.845 -6.838 2.966 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.739 -6.645 0.635 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.104 -6.362 0.202 1.00 0.00 C ATOM 1789 C HIS A 117 -18.173 -5.052 -0.585 1.00 0.00 C ATOM 1790 O HIS A 117 -17.534 -4.067 -0.219 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.042 -6.295 1.408 1.00 0.00 C ATOM 1792 CG HIS A 117 -19.114 -7.574 2.184 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.004 -8.586 1.887 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -18.398 -8.007 3.249 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -19.834 -9.583 2.737 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -18.865 -9.256 3.572 1.00 0.00 N ATOM 0 H HIS A 117 -16.213 -5.824 0.934 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.422 -7.173 -0.453 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.711 -5.496 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.042 -6.031 1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -17.607 -7.469 3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -20.392 -10.507 2.747 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.519 -9.838 4.335 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.952 -5.031 -1.683 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.113 -3.854 -2.526 1.00 0.00 C ATOM 1807 C PRO A 118 -20.358 -3.039 -2.164 1.00 0.00 C ATOM 1808 O PRO A 118 -20.818 -3.062 -1.023 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.274 -4.485 -3.905 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.992 -5.775 -3.652 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.732 -6.160 -2.211 1.00 0.00 C ATOM 0 HA PRO A 118 -18.287 -3.149 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.844 -3.839 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.307 -4.656 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.061 -5.662 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.635 -6.552 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.662 -6.297 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.179 -7.097 -2.140 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.892 -2.320 -3.151 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.081 -1.499 -2.972 1.00 0.00 C ATOM 1821 C LEU A 119 -23.265 -2.331 -2.477 1.00 0.00 C ATOM 1822 O LEU A 119 -23.660 -3.305 -3.119 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.414 -0.824 -4.299 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.228 -0.161 -5.002 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.258 0.398 -3.976 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.529 -1.144 -5.929 1.00 0.00 C ATOM 0 H LEU A 119 -20.510 -2.293 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.881 -0.743 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.845 -1.567 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.181 -0.070 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.602 0.662 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.418 0.868 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.767 1.139 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.892 -0.410 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.689 -0.649 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.164 -1.993 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.232 -1.495 -6.684 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.841 -1.952 -1.321 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.985 -2.657 -0.720 1.00 0.00 C ATOM 1840 C PRO A 120 -26.242 -2.618 -1.592 1.00 0.00 C ATOM 1841 O PRO A 120 -26.175 -2.810 -2.806 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.221 -1.905 0.598 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.957 -1.160 0.855 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.411 -0.812 -0.495 1.00 0.00 C ATOM 0 HA PRO A 120 -24.774 -3.719 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.069 -1.225 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -25.443 -2.596 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.144 -0.263 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.250 -1.770 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.815 0.131 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.326 -0.710 -0.479 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.390 -2.364 -0.962 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.663 -2.321 -1.677 1.00 0.00 C ATOM 1854 C GLN A 121 -29.523 -1.145 -1.224 1.00 0.00 C ATOM 1855 O GLN A 121 -29.838 -1.011 -0.042 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.429 -3.626 -1.462 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.635 -3.780 -2.376 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.364 -5.094 -2.169 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -32.577 -5.180 -2.359 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.624 -6.129 -1.786 1.00 0.00 N ATOM 0 H GLN A 121 -27.463 -2.186 0.040 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.442 -2.192 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.752 -4.466 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.760 -3.677 -0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.326 -2.955 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.310 -3.709 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.621 -6.013 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.059 -7.040 -1.638 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.898 -0.297 -2.177 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.732 0.860 -1.872 1.00 0.00 C ATOM 1871 C CYS A 122 -32.163 0.650 -2.363 1.00 0.00 C ATOM 1872 O CYS A 122 -32.424 0.668 -3.566 1.00 0.00 O ATOM 1873 CB CYS A 122 -30.146 2.120 -2.508 1.00 0.00 C ATOM 1874 SG CYS A 122 -29.240 3.181 -1.340 1.00 0.00 S ATOM 0 H CYS A 122 -29.640 -0.388 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.753 0.982 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.474 1.829 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.954 2.698 -2.958 1.00 0.00 H new ATOM 1879 N GLU A 123 -33.087 0.450 -1.426 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.488 0.239 -1.776 1.00 0.00 C ATOM 1881 C GLU A 123 -35.397 1.105 -0.910 1.00 0.00 C ATOM 1882 O GLU A 123 -35.107 1.365 0.257 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.867 -1.236 -1.627 1.00 0.00 C ATOM 1884 CG GLU A 123 -34.713 -1.766 -0.212 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.197 -3.196 -0.071 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -34.399 -4.121 -0.332 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.372 -3.391 0.302 1.00 0.00 O ATOM 0 H GLU A 123 -32.892 0.430 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.622 0.529 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -35.901 -1.370 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.247 -1.831 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -33.665 -1.710 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -35.270 -1.128 0.474 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.507 1.538 -1.501 1.00 0.00 N ATOM 1895 CA ILE A 124 -37.456 2.397 -0.801 1.00 0.00 C ATOM 1896 C ILE A 124 -38.086 1.670 0.386 1.00 0.00 C ATOM 1897 O ILE A 124 -38.297 0.458 0.342 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.571 2.882 -1.750 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -39.470 3.903 -1.048 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.390 1.702 -2.250 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.776 5.211 -0.739 1.00 0.00 C ATOM 0 H ILE A 124 -36.771 1.309 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.899 3.259 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 124 -38.107 3.369 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -40.339 4.102 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -39.841 3.470 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -40.173 2.060 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.741 1.011 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.844 1.189 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.474 5.885 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -37.924 5.025 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -38.429 5.667 -1.666 1.00 0.00 H new ATOM 1913 N LEU A 125 -38.379 2.419 1.445 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.988 1.847 2.641 1.00 0.00 C ATOM 1915 C LEU A 125 -40.448 1.486 2.383 1.00 0.00 C ATOM 1916 O LEU A 125 -41.231 2.321 1.929 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.895 2.832 3.810 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.473 3.211 4.236 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.505 4.371 5.219 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.761 2.014 4.850 1.00 0.00 C ATOM 0 H LEU A 125 -38.205 3.423 1.499 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.443 0.938 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.430 3.742 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.411 2.401 4.668 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.920 3.522 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.487 4.628 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.976 5.234 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -38.075 4.084 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.753 2.303 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -37.313 1.673 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.707 1.208 4.118 1.00 0.00 H new