USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 57 GLN : amide:sc= 0.055 X(o=-1.3,f=-1.4) USER MOD Set 1.2: A 59 SER OG : rot 120:sc= -1.32 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl 172:sc= -3.67! (180deg=-4.07!) USER MOD Set 3.1: A 34 ASN : amide:sc= -3.12! C(o=-3.6!,f=-6.4!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.459 X(o=-3.6,f=-3.9) USER MOD Set 4.1: A 12 THR OG1 : rot -146:sc= -0.542! USER MOD Set 4.2: A 15 HIS : no HD1:sc= -24.3! C(o=-25!,f=-43!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -23.3! C(o=-23!,f=-16!) USER MOD Single : A 20 THR OG1 : rot 122:sc= -5.96! USER MOD Single : A 24 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.012) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 58:sc= 0.878 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0.762 (180deg=0.239!) USER MOD Single : A 30 ASN : amide:sc= -0.0675 X(o=-0.068,f=-0.48) USER MOD Single : A 31 SER OG : rot -118:sc= -3.46! USER MOD Single : A 37 TYR OH : rot 15:sc= -0.0408 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -4.69! (180deg=-5.29!) USER MOD Single : A 41 SER OG : rot -15:sc= 0.329! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 171:sc= -4.44! (180deg=-4.73!) USER MOD Single : A 52 SER OG : rot -46:sc= 0.529 USER MOD Single : A 62 THR OG1 : rot 37:sc= -8.17! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 74 MET CE :methyl -144:sc= -4.28! (180deg=-6.91!) USER MOD Single : A 80 THR OG1 : rot 111:sc= -2.48 USER MOD Single : A 82 GLN : amide:sc= -0.823 K(o=-0.82,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.513 -9.796 -8.855 1.00 1.00 N ATOM 19 CA GLU A 2 -2.668 -8.578 -9.632 1.00 1.00 C ATOM 20 C GLU A 2 -2.188 -7.369 -8.825 1.00 1.00 C ATOM 21 O GLU A 2 -1.760 -7.512 -7.681 1.00 1.00 O ATOM 22 CB GLU A 2 -4.119 -8.395 -10.081 1.00 1.00 C ATOM 23 CG GLU A 2 -4.666 -9.680 -10.705 1.00 1.00 C ATOM 24 CD GLU A 2 -6.033 -9.439 -11.349 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.837 -8.716 -10.722 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.242 -9.982 -12.455 1.00 1.00 O ATOM 0 HA GLU A 2 -2.052 -8.661 -10.528 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.734 -8.110 -9.228 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.180 -7.581 -10.803 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.967 -10.050 -11.455 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.751 -10.452 -9.940 1.00 1.00 H new ATOM 33 N LYS A 3 -2.275 -6.206 -9.454 1.00 1.00 N ATOM 34 CA LYS A 3 -1.854 -4.974 -8.810 1.00 1.00 C ATOM 35 C LYS A 3 -3.027 -3.992 -8.781 1.00 1.00 C ATOM 36 O LYS A 3 -3.980 -4.136 -9.545 1.00 1.00 O ATOM 37 CB LYS A 3 -0.601 -4.415 -9.488 1.00 1.00 C ATOM 38 CG LYS A 3 -0.917 -3.125 -10.246 1.00 1.00 C ATOM 39 CD LYS A 3 0.135 -2.849 -11.322 1.00 1.00 C ATOM 40 CE LYS A 3 0.137 -3.952 -12.382 1.00 1.00 C ATOM 41 NZ LYS A 3 0.615 -3.423 -13.679 1.00 1.00 N ATOM 0 H LYS A 3 -2.631 -6.091 -10.403 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.570 -5.164 -7.775 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.167 -4.222 -8.739 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.195 -5.156 -10.177 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.902 -3.202 -10.707 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.956 -2.289 -9.548 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.066 -1.887 -11.793 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.121 -2.779 -10.862 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.777 -4.773 -12.059 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.869 -4.357 -12.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.610 -4.184 -14.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.011 -2.654 -13.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.583 -3.058 -13.570 1.00 1.00 H new ATOM 55 N LYS A 4 -2.919 -3.016 -7.892 1.00 1.00 N ATOM 56 CA LYS A 4 -3.959 -2.010 -7.754 1.00 1.00 C ATOM 57 C LYS A 4 -3.314 -0.652 -7.472 1.00 1.00 C ATOM 58 O LYS A 4 -2.710 -0.454 -6.419 1.00 1.00 O ATOM 59 CB LYS A 4 -4.980 -2.438 -6.698 1.00 1.00 C ATOM 60 CG LYS A 4 -6.237 -1.568 -6.768 1.00 1.00 C ATOM 61 CD LYS A 4 -7.089 -1.931 -7.985 1.00 1.00 C ATOM 62 CE LYS A 4 -8.307 -1.012 -8.097 1.00 1.00 C ATOM 63 NZ LYS A 4 -9.137 -1.391 -9.262 1.00 1.00 N ATOM 0 H LYS A 4 -2.127 -2.900 -7.260 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.519 -1.910 -8.684 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.248 -3.484 -6.849 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.536 -2.363 -5.706 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.823 -1.696 -5.858 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.953 -0.517 -6.819 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.487 -1.854 -8.890 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.417 -2.967 -7.907 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.901 -1.073 -7.185 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.981 0.023 -8.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.959 -0.757 -9.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.572 -1.310 -10.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.464 -2.372 -9.151 1.00 1.00 H new ATOM 77 N GLU A 5 -3.465 0.250 -8.431 1.00 1.00 N ATOM 78 CA GLU A 5 -2.906 1.584 -8.298 1.00 1.00 C ATOM 79 C GLU A 5 -3.918 2.521 -7.637 1.00 1.00 C ATOM 80 O GLU A 5 -5.126 2.327 -7.766 1.00 1.00 O ATOM 81 CB GLU A 5 -2.461 2.129 -9.657 1.00 1.00 C ATOM 82 CG GLU A 5 -1.498 1.161 -10.348 1.00 1.00 C ATOM 83 CD GLU A 5 -2.134 0.557 -11.602 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.122 -0.190 -11.433 1.00 1.00 O ATOM 85 OE2 GLU A 5 -1.618 0.856 -12.700 1.00 1.00 O ATOM 0 H GLU A 5 -3.967 0.083 -9.303 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.025 1.525 -7.660 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.333 2.294 -10.290 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.977 3.096 -9.524 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.581 1.685 -10.617 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.219 0.365 -9.658 1.00 1.00 H new ATOM 92 N PHE A 6 -3.389 3.518 -6.942 1.00 1.00 N ATOM 93 CA PHE A 6 -4.231 4.485 -6.260 1.00 1.00 C ATOM 94 C PHE A 6 -3.554 5.856 -6.201 1.00 1.00 C ATOM 95 O PHE A 6 -2.458 6.035 -6.729 1.00 1.00 O ATOM 96 CB PHE A 6 -4.439 3.970 -4.835 1.00 1.00 C ATOM 97 CG PHE A 6 -4.997 2.547 -4.762 1.00 1.00 C ATOM 98 CD1 PHE A 6 -4.167 1.483 -4.928 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.322 2.347 -4.531 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.684 0.162 -4.860 1.00 1.00 C ATOM 101 CE2 PHE A 6 -6.839 1.026 -4.464 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.009 -0.038 -4.630 1.00 1.00 C ATOM 0 H PHE A 6 -2.387 3.676 -6.837 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.175 4.599 -6.793 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.487 4.003 -4.305 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.119 4.643 -4.312 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.115 1.642 -5.112 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -6.981 3.192 -4.399 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.025 -0.683 -4.991 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -7.891 0.867 -4.281 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.402 -1.043 -4.579 1.00 1.00 H new ATOM 112 N HIS A 7 -4.236 6.790 -5.553 1.00 1.00 N ATOM 113 CA HIS A 7 -3.714 8.139 -5.418 1.00 1.00 C ATOM 114 C HIS A 7 -4.107 8.707 -4.053 1.00 1.00 C ATOM 115 O HIS A 7 -5.238 8.527 -3.604 1.00 1.00 O ATOM 116 CB HIS A 7 -4.177 9.019 -6.581 1.00 1.00 C ATOM 117 CG HIS A 7 -4.508 10.438 -6.184 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.991 11.541 -6.840 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.311 10.921 -5.192 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.466 12.633 -6.261 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.283 12.247 -5.239 1.00 1.00 N ATOM 0 H HIS A 7 -5.145 6.639 -5.116 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.625 8.118 -5.465 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.397 9.038 -7.342 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.057 8.566 -7.038 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -5.874 10.325 -4.488 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.245 13.651 -6.548 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.789 12.874 -4.614 1.00 1.00 H new ATOM 129 N ILE A 8 -3.150 9.380 -3.431 1.00 1.00 N ATOM 130 CA ILE A 8 -3.382 9.976 -2.126 1.00 1.00 C ATOM 131 C ILE A 8 -4.489 11.025 -2.238 1.00 1.00 C ATOM 132 O ILE A 8 -4.403 11.940 -3.055 1.00 1.00 O ATOM 133 CB ILE A 8 -2.075 10.520 -1.546 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.021 9.416 -1.436 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.318 11.216 -0.205 1.00 1.00 C ATOM 136 CD1 ILE A 8 -1.678 8.050 -1.229 1.00 1.00 C ATOM 0 H ILE A 8 -2.213 9.526 -3.806 1.00 1.00 H new ATOM 0 HA ILE A 8 -3.728 9.222 -1.419 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.684 11.271 -2.233 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.413 9.398 -2.340 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.350 9.631 -0.604 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.373 11.593 0.186 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.010 12.046 -0.346 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.745 10.505 0.502 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -0.907 7.283 -1.154 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.266 8.064 -0.311 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.330 7.828 -2.074 1.00 1.00 H new ATOM 148 N VAL A 9 -5.506 10.858 -1.404 1.00 1.00 N ATOM 149 CA VAL A 9 -6.629 11.779 -1.399 1.00 1.00 C ATOM 150 C VAL A 9 -6.838 12.314 0.019 1.00 1.00 C ATOM 151 O VAL A 9 -7.765 13.084 0.266 1.00 1.00 O ATOM 152 CB VAL A 9 -7.872 11.092 -1.968 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.725 10.848 -3.471 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.163 9.785 -1.227 1.00 1.00 C ATOM 0 H VAL A 9 -5.575 10.098 -0.727 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.424 12.635 -2.042 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.721 11.759 -1.819 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.622 10.359 -3.850 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.588 11.801 -3.983 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.860 10.211 -3.653 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.051 9.317 -1.651 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.313 9.111 -1.331 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.333 9.995 -0.171 1.00 1.00 H new ATOM 164 N ALA A 10 -5.960 11.885 0.914 1.00 1.00 N ATOM 165 CA ALA A 10 -6.037 12.312 2.301 1.00 1.00 C ATOM 166 C ALA A 10 -5.332 13.661 2.455 1.00 1.00 C ATOM 167 O ALA A 10 -5.549 14.370 3.436 1.00 1.00 O ATOM 168 CB ALA A 10 -5.432 11.233 3.202 1.00 1.00 C ATOM 0 H ALA A 10 -5.192 11.247 0.706 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.076 12.446 2.604 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.490 11.553 4.242 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -5.986 10.302 3.078 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.389 11.074 2.929 1.00 1.00 H new ATOM 174 N GLU A 11 -4.503 13.975 1.470 1.00 1.00 N ATOM 175 CA GLU A 11 -3.766 15.227 1.484 1.00 1.00 C ATOM 176 C GLU A 11 -3.126 15.451 2.856 1.00 1.00 C ATOM 177 O GLU A 11 -2.689 16.558 3.167 1.00 1.00 O ATOM 178 CB GLU A 11 -4.670 16.401 1.103 1.00 1.00 C ATOM 179 CG GLU A 11 -5.745 16.633 2.167 1.00 1.00 C ATOM 180 CD GLU A 11 -6.465 17.964 1.938 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.803 18.883 1.409 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.661 18.031 2.295 1.00 1.00 O ATOM 0 H GLU A 11 -4.326 13.384 0.658 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.972 15.166 0.739 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.070 17.303 0.984 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.142 16.204 0.141 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.467 15.816 2.144 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.289 16.628 3.157 1.00 1.00 H new ATOM 189 N THR A 12 -3.091 14.383 3.638 1.00 1.00 N ATOM 190 CA THR A 12 -2.511 14.449 4.969 1.00 1.00 C ATOM 191 C THR A 12 -0.984 14.495 4.885 1.00 1.00 C ATOM 192 O THR A 12 -0.362 15.451 5.345 1.00 1.00 O ATOM 193 CB THR A 12 -3.040 13.260 5.774 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.961 13.696 7.129 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.103 12.052 5.717 1.00 1.00 C ATOM 0 H THR A 12 -3.455 13.467 3.376 1.00 1.00 H new ATOM 0 HA THR A 12 -2.804 15.365 5.483 1.00 1.00 H new ATOM 0 HB THR A 12 -4.023 12.976 5.399 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.748 12.933 7.706 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.525 11.236 6.304 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.986 11.731 4.682 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.130 12.327 6.124 1.00 1.00 H new ATOM 203 N GLY A 13 -0.425 13.450 4.293 1.00 1.00 N ATOM 204 CA GLY A 13 1.017 13.359 4.142 1.00 1.00 C ATOM 205 C GLY A 13 1.506 11.931 4.392 1.00 1.00 C ATOM 206 O GLY A 13 2.691 11.710 4.635 1.00 1.00 O ATOM 0 H GLY A 13 -0.945 12.659 3.912 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.302 13.674 3.138 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.503 14.041 4.840 1.00 1.00 H new ATOM 210 N ILE A 14 0.567 10.998 4.323 1.00 1.00 N ATOM 211 CA ILE A 14 0.887 9.597 4.538 1.00 1.00 C ATOM 212 C ILE A 14 1.754 9.463 5.791 1.00 1.00 C ATOM 213 O ILE A 14 2.960 9.239 5.695 1.00 1.00 O ATOM 214 CB ILE A 14 1.522 8.993 3.283 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.501 8.886 2.149 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.178 7.646 3.594 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.630 9.900 2.332 1.00 1.00 C ATOM 0 H ILE A 14 -0.415 11.185 4.121 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.022 9.022 4.715 1.00 1.00 H new ATOM 0 HB ILE A 14 2.311 9.664 2.943 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.995 9.056 1.193 1.00 1.00 H new ATOM 0 HG13 ILE A 14 0.089 7.877 2.120 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.621 7.239 2.685 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.955 7.785 4.346 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.426 6.954 3.972 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.342 9.803 1.512 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.138 9.712 3.278 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.217 10.909 2.336 1.00 1.00 H new ATOM 229 N HIS A 15 1.106 9.606 6.938 1.00 1.00 N ATOM 230 CA HIS A 15 1.803 9.503 8.209 1.00 1.00 C ATOM 231 C HIS A 15 1.558 8.122 8.819 1.00 1.00 C ATOM 232 O HIS A 15 0.745 7.351 8.312 1.00 1.00 O ATOM 233 CB HIS A 15 1.399 10.645 9.144 1.00 1.00 C ATOM 234 CG HIS A 15 -0.039 11.083 8.992 1.00 1.00 C ATOM 235 ND1 HIS A 15 -1.073 10.528 9.726 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.602 12.028 8.186 1.00 1.00 C ATOM 237 CE1 HIS A 15 -2.203 11.119 9.368 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.910 12.047 8.413 1.00 1.00 N ATOM 0 H HIS A 15 0.106 9.792 7.014 1.00 1.00 H new ATOM 0 HA HIS A 15 2.876 9.605 8.048 1.00 1.00 H new ATOM 0 HB2 HIS A 15 1.566 10.333 10.175 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.050 11.500 8.960 1.00 1.00 H new ATOM 0 HD2 HIS A 15 -0.074 12.654 7.483 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -3.185 10.904 9.763 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -2.585 12.656 7.949 1.00 1.00 H new ATOM 246 N ALA A 16 2.275 7.852 9.900 1.00 1.00 N ATOM 247 CA ALA A 16 2.145 6.577 10.585 1.00 1.00 C ATOM 248 C ALA A 16 0.671 6.168 10.618 1.00 1.00 C ATOM 249 O ALA A 16 0.351 4.982 10.571 1.00 1.00 O ATOM 250 CB ALA A 16 2.751 6.686 11.986 1.00 1.00 C ATOM 0 H ALA A 16 2.948 8.494 10.318 1.00 1.00 H new ATOM 0 HA ALA A 16 2.691 5.798 10.053 1.00 1.00 H new ATOM 0 HB1 ALA A 16 2.654 5.730 12.500 1.00 1.00 H new ATOM 0 HB2 ALA A 16 3.806 6.950 11.907 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.226 7.456 12.551 1.00 1.00 H new ATOM 256 N ARG A 17 -0.188 7.174 10.698 1.00 1.00 N ATOM 257 CA ARG A 17 -1.620 6.935 10.737 1.00 1.00 C ATOM 258 C ARG A 17 -2.081 6.258 9.445 1.00 1.00 C ATOM 259 O ARG A 17 -2.336 5.055 9.426 1.00 1.00 O ATOM 260 CB ARG A 17 -2.392 8.242 10.924 1.00 1.00 C ATOM 261 CG ARG A 17 -2.765 8.454 12.393 1.00 1.00 C ATOM 262 CD ARG A 17 -1.514 8.571 13.265 1.00 1.00 C ATOM 263 NE ARG A 17 -1.255 9.992 13.589 1.00 1.00 N ATOM 264 CZ ARG A 17 -0.526 10.403 14.636 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.021 9.503 15.466 1.00 1.00 N ATOM 266 NH2 ARG A 17 -0.344 11.712 14.853 1.00 1.00 N ATOM 0 H ARG A 17 0.081 8.157 10.737 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.824 6.282 11.586 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.787 9.079 10.574 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -3.296 8.225 10.315 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -3.367 9.357 12.492 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -3.378 7.622 12.740 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -1.645 7.998 14.183 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -0.656 8.146 12.744 1.00 1.00 H new ATOM 0 HE ARG A 17 -1.656 10.703 12.977 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -0.118 8.506 15.300 1.00 1.00 H new ATOM 0 HH12 ARG A 17 0.576 9.815 16.263 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.760 12.396 14.221 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.211 12.025 15.650 1.00 1.00 H new ATOM 280 N PRO A 18 -2.175 7.082 8.367 1.00 1.00 N ATOM 281 CA PRO A 18 -2.600 6.576 7.073 1.00 1.00 C ATOM 282 C PRO A 18 -1.483 5.772 6.404 1.00 1.00 C ATOM 283 O PRO A 18 -1.751 4.875 5.607 1.00 1.00 O ATOM 284 CB PRO A 18 -3.001 7.810 6.280 1.00 1.00 C ATOM 285 CG PRO A 18 -2.351 8.988 6.986 1.00 1.00 C ATOM 286 CD PRO A 18 -1.880 8.512 8.351 1.00 1.00 C ATOM 0 HA PRO A 18 -3.434 5.879 7.148 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.661 7.738 5.247 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -4.085 7.921 6.252 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -1.511 9.366 6.403 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -3.061 9.808 7.092 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.815 8.698 8.490 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -2.402 9.033 9.154 1.00 1.00 H new ATOM 294 N ALA A 19 -0.255 6.123 6.754 1.00 1.00 N ATOM 295 CA ALA A 19 0.904 5.446 6.197 1.00 1.00 C ATOM 296 C ALA A 19 0.888 3.978 6.630 1.00 1.00 C ATOM 297 O ALA A 19 1.054 3.082 5.804 1.00 1.00 O ATOM 298 CB ALA A 19 2.179 6.170 6.637 1.00 1.00 C ATOM 0 H ALA A 19 -0.037 6.867 7.416 1.00 1.00 H new ATOM 0 HA ALA A 19 0.876 5.469 5.108 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.048 5.662 6.219 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.154 7.200 6.280 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.244 6.164 7.725 1.00 1.00 H new ATOM 304 N THR A 20 0.688 3.779 7.925 1.00 1.00 N ATOM 305 CA THR A 20 0.648 2.435 8.477 1.00 1.00 C ATOM 306 C THR A 20 -0.667 1.746 8.108 1.00 1.00 C ATOM 307 O THR A 20 -0.681 0.558 7.788 1.00 1.00 O ATOM 308 CB THR A 20 0.878 2.538 9.986 1.00 1.00 C ATOM 309 OG1 THR A 20 1.653 3.724 10.140 1.00 1.00 O ATOM 310 CG2 THR A 20 1.787 1.427 10.517 1.00 1.00 C ATOM 0 H THR A 20 0.552 4.525 8.607 1.00 1.00 H new ATOM 0 HA THR A 20 1.435 1.810 8.055 1.00 1.00 H new ATOM 0 HB THR A 20 -0.081 2.500 10.502 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.183 4.348 10.732 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.918 1.547 11.593 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.334 0.457 10.312 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.758 1.485 10.025 1.00 1.00 H new ATOM 318 N LEU A 21 -1.740 2.520 8.165 1.00 1.00 N ATOM 319 CA LEU A 21 -3.057 1.999 7.841 1.00 1.00 C ATOM 320 C LEU A 21 -2.952 1.082 6.621 1.00 1.00 C ATOM 321 O LEU A 21 -3.399 -0.063 6.660 1.00 1.00 O ATOM 322 CB LEU A 21 -4.058 3.142 7.667 1.00 1.00 C ATOM 323 CG LEU A 21 -5.522 2.802 7.953 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.334 4.067 8.239 1.00 1.00 C ATOM 325 CD2 LEU A 21 -6.127 1.979 6.813 1.00 1.00 C ATOM 0 H LEU A 21 -1.725 3.505 8.431 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.440 1.394 8.663 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.761 3.961 8.322 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.985 3.510 6.644 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.559 2.185 8.851 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.371 3.796 8.439 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.918 4.578 9.108 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -6.292 4.729 7.374 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -7.168 1.751 7.042 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -6.076 2.549 5.886 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.569 1.050 6.699 1.00 1.00 H new ATOM 337 N LEU A 22 -2.359 1.621 5.565 1.00 1.00 N ATOM 338 CA LEU A 22 -2.189 0.865 4.336 1.00 1.00 C ATOM 339 C LEU A 22 -1.159 -0.243 4.561 1.00 1.00 C ATOM 340 O LEU A 22 -1.493 -1.426 4.505 1.00 1.00 O ATOM 341 CB LEU A 22 -1.842 1.801 3.176 1.00 1.00 C ATOM 342 CG LEU A 22 -0.712 2.799 3.435 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.564 2.387 2.698 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.145 4.223 3.078 1.00 1.00 C ATOM 0 H LEU A 22 -1.991 2.572 5.536 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.123 0.379 4.056 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.572 1.193 2.313 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.738 2.359 2.905 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.486 2.789 4.501 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.351 3.114 2.899 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.882 1.403 3.043 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.369 2.351 1.626 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.323 4.912 3.272 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.415 4.267 2.023 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -2.005 4.505 3.685 1.00 1.00 H new ATOM 356 N VAL A 23 0.072 0.178 4.811 1.00 1.00 N ATOM 357 CA VAL A 23 1.153 -0.764 5.045 1.00 1.00 C ATOM 358 C VAL A 23 0.691 -1.824 6.048 1.00 1.00 C ATOM 359 O VAL A 23 0.831 -3.020 5.799 1.00 1.00 O ATOM 360 CB VAL A 23 2.408 -0.018 5.500 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.095 0.925 6.663 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.523 -0.997 5.872 1.00 1.00 C ATOM 0 H VAL A 23 0.345 1.160 4.857 1.00 1.00 H new ATOM 0 HA VAL A 23 1.416 -1.281 4.122 1.00 1.00 H new ATOM 0 HB VAL A 23 2.759 0.587 4.664 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.005 1.443 6.967 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.350 1.656 6.349 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.707 0.350 7.504 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.404 -0.441 6.192 1.00 1.00 H new ATOM 0 HG22 VAL A 23 3.186 -1.641 6.684 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.775 -1.608 5.005 1.00 1.00 H new ATOM 372 N GLN A 24 0.151 -1.346 7.159 1.00 1.00 N ATOM 373 CA GLN A 24 -0.331 -2.237 8.200 1.00 1.00 C ATOM 374 C GLN A 24 -1.292 -3.272 7.610 1.00 1.00 C ATOM 375 O GLN A 24 -1.272 -4.438 8.002 1.00 1.00 O ATOM 376 CB GLN A 24 -1.000 -1.451 9.329 1.00 1.00 C ATOM 377 CG GLN A 24 -2.390 -0.967 8.912 1.00 1.00 C ATOM 378 CD GLN A 24 -3.374 -1.052 10.081 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.423 -1.669 10.000 1.00 1.00 O ATOM 380 NE2 GLN A 24 -2.977 -0.400 11.170 1.00 1.00 N ATOM 0 H GLN A 24 0.037 -0.353 7.361 1.00 1.00 H new ATOM 0 HA GLN A 24 0.524 -2.763 8.625 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.081 -2.079 10.216 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.380 -0.597 9.599 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.329 0.062 8.557 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.755 -1.570 8.080 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -2.086 0.097 11.171 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.563 -0.397 12.005 1.00 1.00 H new ATOM 389 N THR A 25 -2.110 -2.808 6.676 1.00 1.00 N ATOM 390 CA THR A 25 -3.076 -3.679 6.028 1.00 1.00 C ATOM 391 C THR A 25 -2.418 -4.439 4.874 1.00 1.00 C ATOM 392 O THR A 25 -2.774 -5.583 4.597 1.00 1.00 O ATOM 393 CB THR A 25 -4.266 -2.822 5.591 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.327 -3.241 6.444 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.756 -3.175 4.185 1.00 1.00 C ATOM 0 H THR A 25 -2.124 -1.841 6.353 1.00 1.00 H new ATOM 0 HA THR A 25 -3.442 -4.444 6.713 1.00 1.00 H new ATOM 0 HB THR A 25 -3.987 -1.769 5.624 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.138 -2.734 6.230 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.601 -2.538 3.924 1.00 1.00 H new ATOM 0 HG22 THR A 25 -3.949 -3.019 3.469 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.067 -4.219 4.160 1.00 1.00 H new ATOM 403 N ALA A 26 -1.470 -3.772 4.233 1.00 1.00 N ATOM 404 CA ALA A 26 -0.760 -4.371 3.115 1.00 1.00 C ATOM 405 C ALA A 26 0.314 -5.321 3.649 1.00 1.00 C ATOM 406 O ALA A 26 0.610 -6.341 3.028 1.00 1.00 O ATOM 407 CB ALA A 26 -0.174 -3.267 2.232 1.00 1.00 C ATOM 0 H ALA A 26 -1.177 -2.823 4.466 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.441 -4.956 2.497 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.359 -3.716 1.394 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.979 -2.637 1.855 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.517 -2.661 2.818 1.00 1.00 H new ATOM 413 N SER A 27 0.868 -4.953 4.795 1.00 1.00 N ATOM 414 CA SER A 27 1.902 -5.760 5.420 1.00 1.00 C ATOM 415 C SER A 27 1.272 -6.750 6.402 1.00 1.00 C ATOM 416 O SER A 27 1.709 -6.857 7.547 1.00 1.00 O ATOM 417 CB SER A 27 2.928 -4.881 6.137 1.00 1.00 C ATOM 418 OG SER A 27 2.448 -4.419 7.397 1.00 1.00 O ATOM 0 H SER A 27 0.620 -4.106 5.307 1.00 1.00 H new ATOM 0 HA SER A 27 2.422 -6.315 4.639 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.849 -5.445 6.285 1.00 1.00 H new ATOM 0 HB3 SER A 27 3.176 -4.026 5.508 1.00 1.00 H new ATOM 0 HG SER A 27 2.220 -5.187 7.962 1.00 1.00 H new ATOM 424 N LYS A 28 0.255 -7.447 5.919 1.00 1.00 N ATOM 425 CA LYS A 28 -0.440 -8.425 6.740 1.00 1.00 C ATOM 426 C LYS A 28 -1.154 -9.430 5.834 1.00 1.00 C ATOM 427 O LYS A 28 -2.135 -10.050 6.241 1.00 1.00 O ATOM 428 CB LYS A 28 -1.368 -7.725 7.735 1.00 1.00 C ATOM 429 CG LYS A 28 -2.269 -6.712 7.026 1.00 1.00 C ATOM 430 CD LYS A 28 -3.404 -7.416 6.280 1.00 1.00 C ATOM 431 CE LYS A 28 -4.373 -8.082 7.259 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.360 -9.551 7.083 1.00 1.00 N ATOM 0 H LYS A 28 -0.105 -7.354 4.969 1.00 1.00 H new ATOM 0 HA LYS A 28 0.270 -8.990 7.344 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.981 -8.465 8.248 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -0.775 -7.219 8.497 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -2.685 -6.017 7.755 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.678 -6.123 6.324 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -3.942 -6.695 5.664 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -2.991 -8.166 5.605 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.095 -7.830 8.283 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.381 -7.700 7.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.737 -10.006 7.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.949 -9.808 6.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.384 -9.873 6.921 1.00 1.00 H new ATOM 446 N PHE A 29 -0.635 -9.559 4.622 1.00 1.00 N ATOM 447 CA PHE A 29 -1.211 -10.479 3.655 1.00 1.00 C ATOM 448 C PHE A 29 -0.184 -11.522 3.211 1.00 1.00 C ATOM 449 O PHE A 29 0.969 -11.188 2.942 1.00 1.00 O ATOM 450 CB PHE A 29 -1.632 -9.646 2.443 1.00 1.00 C ATOM 451 CG PHE A 29 -2.672 -8.569 2.758 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.678 -8.832 3.635 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.591 -7.350 2.162 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.644 -7.832 3.928 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.556 -6.350 2.455 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.562 -6.613 3.332 1.00 1.00 C ATOM 0 H PHE A 29 0.178 -9.042 4.287 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.055 -11.007 4.099 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.748 -9.170 2.018 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.034 -10.312 1.679 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -3.742 -9.801 4.108 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.792 -7.142 1.465 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.443 -8.040 4.624 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.491 -5.381 1.982 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.296 -5.853 3.555 1.00 1.00 H new ATOM 466 N ASN A 30 -0.639 -12.764 3.147 1.00 1.00 N ATOM 467 CA ASN A 30 0.226 -13.858 2.740 1.00 1.00 C ATOM 468 C ASN A 30 0.594 -13.690 1.265 1.00 1.00 C ATOM 469 O ASN A 30 1.386 -14.462 0.726 1.00 1.00 O ATOM 470 CB ASN A 30 -0.479 -15.207 2.900 1.00 1.00 C ATOM 471 CG ASN A 30 -0.352 -15.726 4.333 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.705 -15.691 4.942 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.485 -16.207 4.837 1.00 1.00 N ATOM 0 H ASN A 30 -1.596 -13.037 3.370 1.00 1.00 H new ATOM 0 HA ASN A 30 1.114 -13.838 3.371 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.532 -15.104 2.639 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.048 -15.931 2.208 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.504 -16.576 5.788 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.335 -16.207 4.273 1.00 1.00 H new ATOM 480 N SER A 31 0.002 -12.675 0.652 1.00 1.00 N ATOM 481 CA SER A 31 0.258 -12.395 -0.750 1.00 1.00 C ATOM 482 C SER A 31 1.390 -11.373 -0.882 1.00 1.00 C ATOM 483 O SER A 31 1.913 -10.889 0.120 1.00 1.00 O ATOM 484 CB SER A 31 -1.003 -11.883 -1.449 1.00 1.00 C ATOM 485 OG SER A 31 -1.627 -12.895 -2.235 1.00 1.00 O ATOM 0 H SER A 31 -0.654 -12.037 1.101 1.00 1.00 H new ATOM 0 HA SER A 31 0.558 -13.324 -1.235 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.708 -11.518 -0.702 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.746 -11.037 -2.086 1.00 1.00 H new ATOM 0 HG SER A 31 -1.633 -12.621 -3.176 1.00 1.00 H new ATOM 491 N ASP A 32 1.734 -11.076 -2.127 1.00 1.00 N ATOM 492 CA ASP A 32 2.793 -10.121 -2.402 1.00 1.00 C ATOM 493 C ASP A 32 2.180 -8.740 -2.641 1.00 1.00 C ATOM 494 O ASP A 32 2.078 -8.290 -3.781 1.00 1.00 O ATOM 495 CB ASP A 32 3.576 -10.514 -3.657 1.00 1.00 C ATOM 496 CG ASP A 32 4.442 -11.767 -3.513 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.505 -11.650 -2.865 1.00 1.00 O ATOM 498 OD2 ASP A 32 4.022 -12.812 -4.053 1.00 1.00 O ATOM 0 H ASP A 32 1.298 -11.480 -2.956 1.00 1.00 H new ATOM 0 HA ASP A 32 3.466 -10.108 -1.545 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.870 -10.670 -4.473 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.216 -9.679 -3.944 1.00 1.00 H new ATOM 503 N ILE A 33 1.787 -8.105 -1.546 1.00 1.00 N ATOM 504 CA ILE A 33 1.187 -6.784 -1.622 1.00 1.00 C ATOM 505 C ILE A 33 2.239 -5.729 -1.275 1.00 1.00 C ATOM 506 O ILE A 33 2.899 -5.823 -0.241 1.00 1.00 O ATOM 507 CB ILE A 33 -0.066 -6.714 -0.747 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.002 -5.598 -1.217 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.304 -6.567 0.730 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.680 -4.279 -0.512 1.00 1.00 C ATOM 0 H ILE A 33 1.873 -8.481 -0.602 1.00 1.00 H new ATOM 0 HA ILE A 33 0.851 -6.577 -2.638 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.608 -7.654 -0.851 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.909 -5.470 -2.295 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.036 -5.878 -1.018 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.605 -6.520 1.330 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.901 -7.424 1.043 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.880 -5.653 0.871 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.360 -3.503 -0.864 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.798 -4.404 0.564 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.347 -3.989 -0.733 1.00 1.00 H new ATOM 522 N ASN A 34 2.363 -4.749 -2.158 1.00 1.00 N ATOM 523 CA ASN A 34 3.324 -3.678 -1.957 1.00 1.00 C ATOM 524 C ASN A 34 2.670 -2.340 -2.307 1.00 1.00 C ATOM 525 O ASN A 34 1.528 -2.303 -2.763 1.00 1.00 O ATOM 526 CB ASN A 34 4.545 -3.857 -2.861 1.00 1.00 C ATOM 527 CG ASN A 34 5.176 -5.237 -2.663 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.859 -5.966 -1.738 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.086 -5.552 -3.580 1.00 1.00 N ATOM 0 H ASN A 34 1.814 -4.674 -3.014 1.00 1.00 H new ATOM 0 HA ASN A 34 3.640 -3.700 -0.914 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.251 -3.734 -3.903 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.280 -3.082 -2.643 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.566 -6.451 -3.535 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.304 -4.895 -4.329 1.00 1.00 H new ATOM 536 N LEU A 35 3.421 -1.273 -2.079 1.00 1.00 N ATOM 537 CA LEU A 35 2.928 0.064 -2.365 1.00 1.00 C ATOM 538 C LEU A 35 3.858 0.742 -3.373 1.00 1.00 C ATOM 539 O LEU A 35 5.069 0.528 -3.347 1.00 1.00 O ATOM 540 CB LEU A 35 2.747 0.856 -1.068 1.00 1.00 C ATOM 541 CG LEU A 35 3.869 1.835 -0.717 1.00 1.00 C ATOM 542 CD1 LEU A 35 4.120 2.815 -1.865 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.574 2.558 0.599 1.00 1.00 C ATOM 0 H LEU A 35 4.367 -1.307 -1.700 1.00 1.00 H new ATOM 0 HA LEU A 35 1.941 0.015 -2.824 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.813 1.414 -1.134 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.639 0.149 -0.246 1.00 1.00 H new ATOM 0 HG LEU A 35 4.787 1.265 -0.573 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.922 3.500 -1.590 1.00 1.00 H new ATOM 0 HD12 LEU A 35 4.406 2.262 -2.760 1.00 1.00 H new ATOM 0 HD13 LEU A 35 3.211 3.382 -2.064 1.00 1.00 H new ATOM 0 HD21 LEU A 35 4.387 3.248 0.825 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.641 3.114 0.507 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.483 1.828 1.403 1.00 1.00 H new ATOM 555 N GLU A 36 3.256 1.544 -4.239 1.00 1.00 N ATOM 556 CA GLU A 36 4.015 2.254 -5.254 1.00 1.00 C ATOM 557 C GLU A 36 3.712 3.752 -5.193 1.00 1.00 C ATOM 558 O GLU A 36 2.706 4.208 -5.735 1.00 1.00 O ATOM 559 CB GLU A 36 3.726 1.692 -6.648 1.00 1.00 C ATOM 560 CG GLU A 36 4.304 2.599 -7.735 1.00 1.00 C ATOM 561 CD GLU A 36 5.298 1.837 -8.614 1.00 1.00 C ATOM 562 OE1 GLU A 36 4.838 0.923 -9.330 1.00 1.00 O ATOM 563 OE2 GLU A 36 6.497 2.187 -8.549 1.00 1.00 O ATOM 0 H GLU A 36 2.251 1.718 -4.259 1.00 1.00 H new ATOM 0 HA GLU A 36 5.077 2.110 -5.053 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.154 0.693 -6.737 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.650 1.591 -6.788 1.00 1.00 H new ATOM 0 HG2 GLU A 36 3.496 2.994 -8.351 1.00 1.00 H new ATOM 0 HG3 GLU A 36 4.801 3.453 -7.275 1.00 1.00 H new ATOM 570 N TYR A 37 4.601 4.477 -4.529 1.00 1.00 N ATOM 571 CA TYR A 37 4.441 5.914 -4.390 1.00 1.00 C ATOM 572 C TYR A 37 5.406 6.665 -5.310 1.00 1.00 C ATOM 573 O TYR A 37 6.528 6.215 -5.538 1.00 1.00 O ATOM 574 CB TYR A 37 4.786 6.238 -2.935 1.00 1.00 C ATOM 575 CG TYR A 37 3.672 5.903 -1.942 1.00 1.00 C ATOM 576 CD1 TYR A 37 2.663 5.034 -2.304 1.00 1.00 C ATOM 577 CD2 TYR A 37 3.677 6.469 -0.683 1.00 1.00 C ATOM 578 CE1 TYR A 37 1.615 4.718 -1.368 1.00 1.00 C ATOM 579 CE2 TYR A 37 2.628 6.154 0.252 1.00 1.00 C ATOM 580 CZ TYR A 37 1.649 5.294 -0.137 1.00 1.00 C ATOM 581 OH TYR A 37 0.659 4.996 0.747 1.00 1.00 O ATOM 0 H TYR A 37 5.434 4.095 -4.082 1.00 1.00 H new ATOM 0 HA TYR A 37 3.428 6.215 -4.656 1.00 1.00 H new ATOM 0 HB2 TYR A 37 5.685 5.690 -2.655 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.022 7.299 -2.856 1.00 1.00 H new ATOM 0 HD1 TYR A 37 2.659 4.591 -3.289 1.00 1.00 H new ATOM 0 HD2 TYR A 37 4.467 7.148 -0.399 1.00 1.00 H new ATOM 0 HE1 TYR A 37 0.820 4.039 -1.638 1.00 1.00 H new ATOM 0 HE2 TYR A 37 2.619 6.591 1.240 1.00 1.00 H new ATOM 0 HH TYR A 37 0.171 4.205 0.437 1.00 1.00 H new ATOM 591 N LYS A 38 4.934 7.795 -5.814 1.00 1.00 N ATOM 592 CA LYS A 38 5.740 8.612 -6.705 1.00 1.00 C ATOM 593 C LYS A 38 6.300 7.736 -7.827 1.00 1.00 C ATOM 594 O LYS A 38 7.281 8.101 -8.474 1.00 1.00 O ATOM 595 CB LYS A 38 6.815 9.363 -5.916 1.00 1.00 C ATOM 596 CG LYS A 38 6.185 10.278 -4.864 1.00 1.00 C ATOM 597 CD LYS A 38 7.045 11.522 -4.634 1.00 1.00 C ATOM 598 CE LYS A 38 8.460 11.138 -4.197 1.00 1.00 C ATOM 599 NZ LYS A 38 9.419 12.209 -4.548 1.00 1.00 N ATOM 0 H LYS A 38 4.003 8.165 -5.622 1.00 1.00 H new ATOM 0 HA LYS A 38 5.127 9.380 -7.176 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.480 8.649 -5.430 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.426 9.954 -6.598 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.187 10.576 -5.186 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.068 9.734 -3.927 1.00 1.00 H new ATOM 0 HD2 LYS A 38 7.091 12.111 -5.550 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.584 12.151 -3.873 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.480 10.962 -3.121 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.755 10.205 -4.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 10.375 11.933 -4.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 9.412 12.358 -5.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 9.145 13.091 -4.069 1.00 1.00 H new ATOM 613 N GLY A 39 5.654 6.596 -8.023 1.00 1.00 N ATOM 614 CA GLY A 39 6.075 5.665 -9.056 1.00 1.00 C ATOM 615 C GLY A 39 7.139 4.702 -8.525 1.00 1.00 C ATOM 616 O GLY A 39 8.071 4.345 -9.243 1.00 1.00 O ATOM 0 H GLY A 39 4.842 6.296 -7.484 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.214 5.100 -9.414 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.471 6.217 -9.908 1.00 1.00 H new ATOM 620 N LYS A 40 6.964 4.311 -7.271 1.00 1.00 N ATOM 621 CA LYS A 40 7.898 3.396 -6.636 1.00 1.00 C ATOM 622 C LYS A 40 7.116 2.332 -5.863 1.00 1.00 C ATOM 623 O LYS A 40 6.510 2.626 -4.835 1.00 1.00 O ATOM 624 CB LYS A 40 8.902 4.167 -5.777 1.00 1.00 C ATOM 625 CG LYS A 40 9.336 3.339 -4.565 1.00 1.00 C ATOM 626 CD LYS A 40 10.640 3.876 -3.973 1.00 1.00 C ATOM 627 CE LYS A 40 10.565 3.938 -2.447 1.00 1.00 C ATOM 628 NZ LYS A 40 10.993 5.268 -1.960 1.00 1.00 N ATOM 0 H LYS A 40 6.190 4.611 -6.678 1.00 1.00 H new ATOM 0 HA LYS A 40 8.491 2.874 -7.387 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.775 4.427 -6.376 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.456 5.103 -5.442 1.00 1.00 H new ATOM 0 HG2 LYS A 40 8.553 3.359 -3.807 1.00 1.00 H new ATOM 0 HG3 LYS A 40 9.468 2.298 -4.860 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.470 3.237 -4.274 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.842 4.870 -4.371 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.546 3.735 -2.119 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.199 3.164 -2.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.687 5.392 -0.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.029 5.340 -2.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.564 6.009 -2.551 1.00 1.00 H new ATOM 642 N SER A 41 7.156 1.116 -6.389 1.00 1.00 N ATOM 643 CA SER A 41 6.459 0.006 -5.761 1.00 1.00 C ATOM 644 C SER A 41 7.421 -0.775 -4.863 1.00 1.00 C ATOM 645 O SER A 41 8.374 -1.383 -5.349 1.00 1.00 O ATOM 646 CB SER A 41 5.842 -0.921 -6.810 1.00 1.00 C ATOM 647 OG SER A 41 6.662 -2.057 -7.069 1.00 1.00 O ATOM 0 H SER A 41 7.660 0.875 -7.243 1.00 1.00 H new ATOM 0 HA SER A 41 5.650 0.410 -5.152 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.861 -1.252 -6.469 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.687 -0.368 -7.736 1.00 1.00 H new ATOM 0 HG SER A 41 7.559 -1.903 -6.705 1.00 1.00 H new ATOM 653 N VAL A 42 7.138 -0.733 -3.570 1.00 1.00 N ATOM 654 CA VAL A 42 7.965 -1.430 -2.600 1.00 1.00 C ATOM 655 C VAL A 42 7.084 -1.944 -1.460 1.00 1.00 C ATOM 656 O VAL A 42 6.136 -1.275 -1.052 1.00 1.00 O ATOM 657 CB VAL A 42 9.091 -0.512 -2.118 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.502 0.473 -3.214 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.687 0.226 -0.840 1.00 1.00 C ATOM 0 H VAL A 42 6.347 -0.227 -3.171 1.00 1.00 H new ATOM 0 HA VAL A 42 8.442 -2.297 -3.057 1.00 1.00 H new ATOM 0 HB VAL A 42 9.955 -1.134 -1.886 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.303 1.113 -2.846 1.00 1.00 H new ATOM 0 HG12 VAL A 42 9.851 -0.079 -4.087 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.645 1.087 -3.491 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.504 0.871 -0.519 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.801 0.831 -1.034 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.467 -0.498 -0.056 1.00 1.00 H new ATOM 669 N ASN A 43 7.429 -3.129 -0.977 1.00 1.00 N ATOM 670 CA ASN A 43 6.681 -3.741 0.108 1.00 1.00 C ATOM 671 C ASN A 43 6.301 -2.667 1.129 1.00 1.00 C ATOM 672 O ASN A 43 7.022 -2.447 2.101 1.00 1.00 O ATOM 673 CB ASN A 43 7.519 -4.801 0.826 1.00 1.00 C ATOM 674 CG ASN A 43 8.444 -5.525 -0.154 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.600 -5.176 -0.331 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.872 -6.550 -0.780 1.00 1.00 N ATOM 0 H ASN A 43 8.216 -3.681 -1.317 1.00 1.00 H new ATOM 0 HA ASN A 43 5.794 -4.210 -0.317 1.00 1.00 H new ATOM 0 HB2 ASN A 43 8.111 -4.331 1.611 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.861 -5.522 1.311 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.406 -7.098 -1.455 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.900 -6.788 -0.585 1.00 1.00 H new ATOM 683 N LEU A 44 5.169 -2.027 0.874 1.00 1.00 N ATOM 684 CA LEU A 44 4.685 -0.982 1.758 1.00 1.00 C ATOM 685 C LEU A 44 5.353 -1.128 3.127 1.00 1.00 C ATOM 686 O LEU A 44 5.715 -0.133 3.754 1.00 1.00 O ATOM 687 CB LEU A 44 3.156 -0.994 1.816 1.00 1.00 C ATOM 688 CG LEU A 44 2.453 -1.871 0.778 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.579 -3.353 1.137 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.994 -1.447 0.600 1.00 1.00 C ATOM 0 H LEU A 44 4.573 -2.213 0.067 1.00 1.00 H new ATOM 0 HA LEU A 44 4.959 -0.000 1.372 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.852 -1.326 2.809 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.800 0.029 1.699 1.00 1.00 H new ATOM 0 HG LEU A 44 2.949 -1.729 -0.182 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.071 -3.954 0.383 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.633 -3.630 1.173 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.124 -3.531 2.111 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.517 -2.086 -0.143 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.469 -1.542 1.551 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.955 -0.410 0.266 1.00 1.00 H new ATOM 702 N LYS A 45 5.496 -2.375 3.550 1.00 1.00 N ATOM 703 CA LYS A 45 6.115 -2.664 4.833 1.00 1.00 C ATOM 704 C LYS A 45 7.563 -2.172 4.818 1.00 1.00 C ATOM 705 O LYS A 45 8.260 -2.252 5.829 1.00 1.00 O ATOM 706 CB LYS A 45 5.972 -4.148 5.174 1.00 1.00 C ATOM 707 CG LYS A 45 6.151 -4.386 6.675 1.00 1.00 C ATOM 708 CD LYS A 45 6.778 -5.755 6.943 1.00 1.00 C ATOM 709 CE LYS A 45 5.733 -6.744 7.464 1.00 1.00 C ATOM 710 NZ LYS A 45 6.387 -7.846 8.205 1.00 1.00 N ATOM 0 H LYS A 45 5.194 -3.197 3.027 1.00 1.00 H new ATOM 0 HA LYS A 45 5.605 -2.127 5.632 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.991 -4.504 4.860 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.712 -4.725 4.620 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.782 -3.604 7.098 1.00 1.00 H new ATOM 0 HG3 LYS A 45 5.185 -4.321 7.175 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.224 -6.141 6.026 1.00 1.00 H new ATOM 0 HD3 LYS A 45 7.583 -5.654 7.671 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.028 -6.228 8.116 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.159 -7.149 6.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.664 -8.508 8.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 7.042 -8.349 7.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.915 -7.456 9.012 1.00 1.00 H new ATOM 724 N SER A 46 7.974 -1.675 3.661 1.00 1.00 N ATOM 725 CA SER A 46 9.327 -1.170 3.501 1.00 1.00 C ATOM 726 C SER A 46 9.389 0.303 3.910 1.00 1.00 C ATOM 727 O SER A 46 9.705 1.165 3.092 1.00 1.00 O ATOM 728 CB SER A 46 9.813 -1.342 2.060 1.00 1.00 C ATOM 729 OG SER A 46 11.235 -1.354 1.974 1.00 1.00 O ATOM 0 H SER A 46 7.393 -1.611 2.825 1.00 1.00 H new ATOM 0 HA SER A 46 9.986 -1.748 4.149 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.417 -2.272 1.653 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.419 -0.532 1.446 1.00 1.00 H new ATOM 0 HG SER A 46 11.505 -1.467 1.039 1.00 1.00 H new ATOM 735 N ILE A 47 9.081 0.546 5.176 1.00 1.00 N ATOM 736 CA ILE A 47 9.097 1.900 5.703 1.00 1.00 C ATOM 737 C ILE A 47 10.302 2.650 5.133 1.00 1.00 C ATOM 738 O ILE A 47 10.163 3.762 4.627 1.00 1.00 O ATOM 739 CB ILE A 47 9.052 1.880 7.232 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.026 2.883 7.764 1.00 1.00 C ATOM 741 CG2 ILE A 47 10.443 2.113 7.825 1.00 1.00 C ATOM 742 CD1 ILE A 47 6.609 2.499 7.333 1.00 1.00 C ATOM 0 H ILE A 47 8.819 -0.172 5.852 1.00 1.00 H new ATOM 0 HA ILE A 47 8.205 2.442 5.388 1.00 1.00 H new ATOM 0 HB ILE A 47 8.728 0.889 7.551 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.081 2.922 8.852 1.00 1.00 H new ATOM 0 HG13 ILE A 47 8.264 3.881 7.397 1.00 1.00 H new ATOM 0 HG21 ILE A 47 10.382 2.094 8.913 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.119 1.329 7.485 1.00 1.00 H new ATOM 0 HG23 ILE A 47 10.820 3.083 7.500 1.00 1.00 H new ATOM 0 HD11 ILE A 47 5.900 3.228 7.724 1.00 1.00 H new ATOM 0 HD12 ILE A 47 6.551 2.484 6.245 1.00 1.00 H new ATOM 0 HD13 ILE A 47 6.365 1.511 7.723 1.00 1.00 H new ATOM 754 N MET A 48 11.459 2.011 5.235 1.00 1.00 N ATOM 755 CA MET A 48 12.688 2.605 4.736 1.00 1.00 C ATOM 756 C MET A 48 12.457 3.293 3.389 1.00 1.00 C ATOM 757 O MET A 48 12.391 4.519 3.318 1.00 1.00 O ATOM 758 CB MET A 48 13.752 1.518 4.578 1.00 1.00 C ATOM 759 CG MET A 48 15.016 2.079 3.924 1.00 1.00 C ATOM 760 SD MET A 48 15.812 0.814 2.947 1.00 1.00 S ATOM 761 CE MET A 48 14.526 0.491 1.752 1.00 1.00 C ATOM 0 H MET A 48 11.571 1.089 5.656 1.00 1.00 H new ATOM 0 HA MET A 48 13.025 3.354 5.452 1.00 1.00 H new ATOM 0 HB2 MET A 48 13.998 1.100 5.554 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.357 0.702 3.973 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.761 2.931 3.293 1.00 1.00 H new ATOM 0 HG3 MET A 48 15.701 2.443 4.690 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.908 -0.174 0.977 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.678 0.020 2.249 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.206 1.429 1.299 1.00 1.00 H new ATOM 771 N GLY A 49 12.340 2.474 2.354 1.00 1.00 N ATOM 772 CA GLY A 49 12.117 2.988 1.014 1.00 1.00 C ATOM 773 C GLY A 49 10.912 3.930 0.981 1.00 1.00 C ATOM 774 O GLY A 49 10.980 5.010 0.395 1.00 1.00 O ATOM 0 H GLY A 49 12.396 1.457 2.417 1.00 1.00 H new ATOM 0 HA2 GLY A 49 13.006 3.517 0.671 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.954 2.159 0.325 1.00 1.00 H new ATOM 778 N VAL A 50 9.838 3.488 1.617 1.00 1.00 N ATOM 779 CA VAL A 50 8.620 4.278 1.668 1.00 1.00 C ATOM 780 C VAL A 50 8.896 5.585 2.414 1.00 1.00 C ATOM 781 O VAL A 50 8.561 6.664 1.926 1.00 1.00 O ATOM 782 CB VAL A 50 7.490 3.459 2.297 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.860 4.207 3.473 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.435 3.090 1.253 1.00 1.00 C ATOM 0 H VAL A 50 9.786 2.592 2.102 1.00 1.00 H new ATOM 0 HA VAL A 50 8.293 4.540 0.662 1.00 1.00 H new ATOM 0 HB VAL A 50 7.920 2.534 2.681 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.060 3.603 3.902 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.619 4.396 4.232 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.452 5.155 3.124 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.643 2.508 1.725 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.012 3.999 0.826 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.897 2.499 0.462 1.00 1.00 H new ATOM 794 N MET A 51 9.504 5.446 3.582 1.00 1.00 N ATOM 795 CA MET A 51 9.829 6.603 4.399 1.00 1.00 C ATOM 796 C MET A 51 10.352 7.753 3.538 1.00 1.00 C ATOM 797 O MET A 51 9.781 8.842 3.535 1.00 1.00 O ATOM 798 CB MET A 51 10.888 6.216 5.434 1.00 1.00 C ATOM 799 CG MET A 51 10.240 5.839 6.767 1.00 1.00 C ATOM 800 SD MET A 51 10.283 7.232 7.883 1.00 1.00 S ATOM 801 CE MET A 51 10.211 8.573 6.707 1.00 1.00 C ATOM 0 H MET A 51 9.780 4.550 3.983 1.00 1.00 H new ATOM 0 HA MET A 51 8.921 6.936 4.902 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.476 5.377 5.062 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.577 7.047 5.583 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.209 5.525 6.604 1.00 1.00 H new ATOM 0 HG3 MET A 51 10.765 4.992 7.209 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.068 9.515 7.237 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.143 8.612 6.143 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.378 8.412 6.022 1.00 1.00 H new ATOM 811 N SER A 52 11.434 7.472 2.826 1.00 1.00 N ATOM 812 CA SER A 52 12.041 8.470 1.962 1.00 1.00 C ATOM 813 C SER A 52 11.054 8.887 0.870 1.00 1.00 C ATOM 814 O SER A 52 11.225 9.929 0.238 1.00 1.00 O ATOM 815 CB SER A 52 13.334 7.944 1.336 1.00 1.00 C ATOM 816 OG SER A 52 13.080 7.092 0.222 1.00 1.00 O ATOM 0 H SER A 52 11.906 6.568 2.830 1.00 1.00 H new ATOM 0 HA SER A 52 12.291 9.340 2.569 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.950 8.784 1.016 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.905 7.398 2.087 1.00 1.00 H new ATOM 0 HG SER A 52 12.372 6.454 0.452 1.00 1.00 H new ATOM 822 N LEU A 53 10.043 8.052 0.680 1.00 1.00 N ATOM 823 CA LEU A 53 9.029 8.321 -0.324 1.00 1.00 C ATOM 824 C LEU A 53 7.860 9.067 0.323 1.00 1.00 C ATOM 825 O LEU A 53 7.864 10.295 0.388 1.00 1.00 O ATOM 826 CB LEU A 53 8.617 7.027 -1.030 1.00 1.00 C ATOM 827 CG LEU A 53 8.447 7.115 -2.547 1.00 1.00 C ATOM 828 CD1 LEU A 53 8.189 5.733 -3.151 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.352 8.117 -2.919 1.00 1.00 C ATOM 0 H LEU A 53 9.905 7.188 1.205 1.00 1.00 H new ATOM 0 HA LEU A 53 9.429 8.970 -1.104 1.00 1.00 H new ATOM 0 HB2 LEU A 53 9.364 6.264 -0.812 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.676 6.685 -0.598 1.00 1.00 H new ATOM 0 HG LEU A 53 9.379 7.484 -2.974 1.00 1.00 H new ATOM 0 HD11 LEU A 53 8.072 5.824 -4.231 1.00 1.00 H new ATOM 0 HD12 LEU A 53 9.031 5.077 -2.931 1.00 1.00 H new ATOM 0 HD13 LEU A 53 7.280 5.312 -2.722 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.252 8.160 -4.004 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.406 7.802 -2.479 1.00 1.00 H new ATOM 0 HD23 LEU A 53 7.618 9.104 -2.540 1.00 1.00 H new ATOM 841 N GLY A 54 6.890 8.293 0.786 1.00 1.00 N ATOM 842 CA GLY A 54 5.717 8.866 1.426 1.00 1.00 C ATOM 843 C GLY A 54 5.020 9.864 0.500 1.00 1.00 C ATOM 844 O GLY A 54 5.665 10.500 -0.333 1.00 1.00 O ATOM 0 H GLY A 54 6.892 7.274 0.731 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.023 8.071 1.699 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.010 9.365 2.350 1.00 1.00 H new ATOM 848 N VAL A 55 3.711 9.972 0.677 1.00 1.00 N ATOM 849 CA VAL A 55 2.919 10.882 -0.132 1.00 1.00 C ATOM 850 C VAL A 55 1.966 11.665 0.774 1.00 1.00 C ATOM 851 O VAL A 55 2.023 11.540 1.996 1.00 1.00 O ATOM 852 CB VAL A 55 2.194 10.108 -1.234 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.888 10.299 -2.585 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.084 8.623 -0.880 1.00 1.00 C ATOM 0 H VAL A 55 3.179 9.444 1.369 1.00 1.00 H new ATOM 0 HA VAL A 55 3.562 11.606 -0.632 1.00 1.00 H new ATOM 0 HB VAL A 55 1.184 10.509 -1.316 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.353 9.738 -3.351 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.892 11.357 -2.846 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.914 9.937 -2.521 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.564 8.096 -1.680 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.082 8.203 -0.757 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.527 8.511 0.050 1.00 1.00 H new ATOM 864 N GLY A 56 1.112 12.455 0.139 1.00 1.00 N ATOM 865 CA GLY A 56 0.148 13.258 0.873 1.00 1.00 C ATOM 866 C GLY A 56 -0.554 14.252 -0.054 1.00 1.00 C ATOM 867 O GLY A 56 -1.678 14.011 -0.491 1.00 1.00 O ATOM 0 H GLY A 56 1.068 12.556 -0.875 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.591 12.608 1.342 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.653 13.797 1.675 1.00 1.00 H new ATOM 871 N GLN A 57 0.137 15.350 -0.324 1.00 1.00 N ATOM 872 CA GLN A 57 -0.406 16.382 -1.190 1.00 1.00 C ATOM 873 C GLN A 57 -1.145 15.750 -2.372 1.00 1.00 C ATOM 874 O GLN A 57 -0.659 15.782 -3.501 1.00 1.00 O ATOM 875 CB GLN A 57 0.695 17.327 -1.675 1.00 1.00 C ATOM 876 CG GLN A 57 1.508 16.689 -2.804 1.00 1.00 C ATOM 877 CD GLN A 57 2.970 17.135 -2.746 1.00 1.00 C ATOM 878 OE1 GLN A 57 3.285 18.292 -2.524 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.843 16.154 -2.957 1.00 1.00 N ATOM 0 H GLN A 57 1.068 15.547 0.042 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.119 16.972 -0.614 1.00 1.00 H new ATOM 0 HB2 GLN A 57 0.251 18.259 -2.024 1.00 1.00 H new ATOM 0 HB3 GLN A 57 1.355 17.579 -0.845 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.452 15.603 -2.729 1.00 1.00 H new ATOM 0 HG3 GLN A 57 1.078 16.964 -3.767 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.512 15.206 -3.137 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.844 16.349 -2.938 1.00 1.00 H new ATOM 888 N GLY A 58 -2.306 15.188 -2.070 1.00 1.00 N ATOM 889 CA GLY A 58 -3.116 14.549 -3.093 1.00 1.00 C ATOM 890 C GLY A 58 -2.262 13.647 -3.986 1.00 1.00 C ATOM 891 O GLY A 58 -2.753 13.096 -4.969 1.00 1.00 O ATOM 0 H GLY A 58 -2.705 15.162 -1.132 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.904 13.960 -2.623 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.606 15.309 -3.701 1.00 1.00 H new ATOM 895 N SER A 59 -0.997 13.525 -3.610 1.00 1.00 N ATOM 896 CA SER A 59 -0.069 12.700 -4.365 1.00 1.00 C ATOM 897 C SER A 59 -0.755 11.402 -4.797 1.00 1.00 C ATOM 898 O SER A 59 -1.821 11.060 -4.288 1.00 1.00 O ATOM 899 CB SER A 59 1.185 12.390 -3.544 1.00 1.00 C ATOM 900 OG SER A 59 1.947 13.562 -3.270 1.00 1.00 O ATOM 0 H SER A 59 -0.593 13.983 -2.793 1.00 1.00 H new ATOM 0 HA SER A 59 0.238 13.254 -5.252 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.896 11.918 -2.605 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.804 11.673 -4.084 1.00 1.00 H new ATOM 0 HG SER A 59 2.015 13.689 -2.301 1.00 1.00 H new ATOM 906 N ASP A 60 -0.115 10.715 -5.731 1.00 1.00 N ATOM 907 CA ASP A 60 -0.650 9.462 -6.237 1.00 1.00 C ATOM 908 C ASP A 60 0.254 8.310 -5.794 1.00 1.00 C ATOM 909 O ASP A 60 1.424 8.520 -5.479 1.00 1.00 O ATOM 910 CB ASP A 60 -0.699 9.462 -7.766 1.00 1.00 C ATOM 911 CG ASP A 60 0.664 9.390 -8.458 1.00 1.00 C ATOM 912 OD1 ASP A 60 1.341 8.356 -8.271 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.998 10.370 -9.157 1.00 1.00 O ATOM 0 H ASP A 60 0.769 11.002 -6.151 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.659 9.343 -5.843 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.302 8.615 -8.095 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.211 10.365 -8.098 1.00 1.00 H new ATOM 918 N VAL A 61 -0.324 7.118 -5.783 1.00 1.00 N ATOM 919 CA VAL A 61 0.415 5.932 -5.383 1.00 1.00 C ATOM 920 C VAL A 61 -0.159 4.711 -6.105 1.00 1.00 C ATOM 921 O VAL A 61 -1.122 4.829 -6.861 1.00 1.00 O ATOM 922 CB VAL A 61 0.393 5.791 -3.859 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.154 6.938 -3.192 1.00 1.00 C ATOM 924 CG2 VAL A 61 -1.042 5.707 -3.337 1.00 1.00 C ATOM 0 H VAL A 61 -1.295 6.948 -6.044 1.00 1.00 H new ATOM 0 HA VAL A 61 1.462 6.018 -5.673 1.00 1.00 H new ATOM 0 HB VAL A 61 0.897 4.860 -3.601 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.123 6.814 -2.109 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.191 6.931 -3.529 1.00 1.00 H new ATOM 0 HG13 VAL A 61 0.691 7.887 -3.462 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -1.029 5.607 -2.252 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -1.583 6.613 -3.612 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -1.538 4.841 -3.775 1.00 1.00 H new ATOM 934 N THR A 62 0.457 3.567 -5.846 1.00 1.00 N ATOM 935 CA THR A 62 0.019 2.326 -6.461 1.00 1.00 C ATOM 936 C THR A 62 0.287 1.144 -5.528 1.00 1.00 C ATOM 937 O THR A 62 1.335 1.080 -4.886 1.00 1.00 O ATOM 938 CB THR A 62 0.716 2.199 -7.818 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.236 2.710 -8.746 1.00 1.00 O ATOM 940 CG2 THR A 62 0.907 0.742 -8.244 1.00 1.00 C ATOM 0 H THR A 62 1.256 3.474 -5.219 1.00 1.00 H new ATOM 0 HA THR A 62 -1.058 2.328 -6.631 1.00 1.00 H new ATOM 0 HB THR A 62 1.686 2.695 -7.776 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.717 3.462 -8.341 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.406 0.709 -9.213 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.517 0.223 -7.504 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.065 0.255 -8.319 1.00 1.00 H new ATOM 948 N ILE A 63 -0.677 0.237 -5.481 1.00 1.00 N ATOM 949 CA ILE A 63 -0.558 -0.940 -4.637 1.00 1.00 C ATOM 950 C ILE A 63 -0.528 -2.192 -5.515 1.00 1.00 C ATOM 951 O ILE A 63 -1.001 -2.170 -6.651 1.00 1.00 O ATOM 952 CB ILE A 63 -1.665 -0.956 -3.581 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.077 -1.032 -2.171 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.662 -2.085 -3.849 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.049 0.348 -1.512 1.00 1.00 C ATOM 0 H ILE A 63 -1.545 0.293 -6.014 1.00 1.00 H new ATOM 0 HA ILE A 63 0.380 -0.917 -4.082 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.216 -0.018 -3.649 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.668 -1.717 -1.563 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.066 -1.438 -2.216 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.438 -2.074 -3.084 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.117 -1.944 -4.830 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.142 -3.043 -3.825 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.626 0.265 -0.511 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.437 1.024 -2.109 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.064 0.740 -1.446 1.00 1.00 H new ATOM 967 N THR A 64 0.033 -3.254 -4.957 1.00 1.00 N ATOM 968 CA THR A 64 0.131 -4.514 -5.675 1.00 1.00 C ATOM 969 C THR A 64 -0.160 -5.687 -4.738 1.00 1.00 C ATOM 970 O THR A 64 0.134 -5.621 -3.545 1.00 1.00 O ATOM 971 CB THR A 64 1.515 -4.582 -6.323 1.00 1.00 C ATOM 972 OG1 THR A 64 1.778 -3.240 -6.723 1.00 1.00 O ATOM 973 CG2 THR A 64 1.510 -5.367 -7.636 1.00 1.00 C ATOM 0 H THR A 64 0.425 -3.268 -4.015 1.00 1.00 H new ATOM 0 HA THR A 64 -0.617 -4.578 -6.465 1.00 1.00 H new ATOM 0 HB THR A 64 2.218 -5.042 -5.628 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.658 -3.193 -7.152 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.517 -5.384 -8.053 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.177 -6.388 -7.448 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.832 -4.889 -8.343 1.00 1.00 H new ATOM 981 N VAL A 65 -0.734 -6.734 -5.312 1.00 1.00 N ATOM 982 CA VAL A 65 -1.067 -7.920 -4.542 1.00 1.00 C ATOM 983 C VAL A 65 -0.841 -9.163 -5.405 1.00 1.00 C ATOM 984 O VAL A 65 -1.611 -9.433 -6.325 1.00 1.00 O ATOM 985 CB VAL A 65 -2.498 -7.814 -4.011 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.516 -8.092 -5.118 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.712 -8.752 -2.821 1.00 1.00 C ATOM 0 H VAL A 65 -0.977 -6.786 -6.301 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.416 -8.005 -3.672 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.652 -6.792 -3.664 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.525 -8.010 -4.713 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.387 -7.367 -5.921 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.363 -9.098 -5.509 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.737 -8.657 -2.463 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.530 -9.781 -3.131 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.022 -8.487 -2.020 1.00 1.00 H new ATOM 997 N ASP A 66 0.220 -9.887 -5.077 1.00 1.00 N ATOM 998 CA ASP A 66 0.557 -11.095 -5.811 1.00 1.00 C ATOM 999 C ASP A 66 0.776 -12.242 -4.823 1.00 1.00 C ATOM 1000 O ASP A 66 1.645 -12.162 -3.955 1.00 1.00 O ATOM 1001 CB ASP A 66 1.846 -10.910 -6.613 1.00 1.00 C ATOM 1002 CG ASP A 66 2.426 -9.494 -6.589 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.621 -8.549 -6.734 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.660 -9.389 -6.426 1.00 1.00 O ATOM 0 H ASP A 66 0.857 -9.660 -4.313 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.264 -11.315 -6.493 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.597 -11.600 -6.229 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.655 -11.191 -7.649 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.027 -13.283 -4.986 1.00 1.00 N ATOM 1010 CA GLY A 67 0.068 -14.445 -4.119 1.00 1.00 C ATOM 1011 C GLY A 67 -1.309 -15.072 -3.890 1.00 1.00 C ATOM 1012 O GLY A 67 -2.045 -15.327 -4.842 1.00 1.00 O ATOM 0 H GLY A 67 -0.747 -13.346 -5.706 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.737 -15.181 -4.564 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.503 -14.155 -3.163 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.615 -15.302 -2.622 1.00 1.00 N ATOM 1017 CA ALA A 68 -2.891 -15.894 -2.255 1.00 1.00 C ATOM 1018 C ALA A 68 -3.865 -14.786 -1.850 1.00 1.00 C ATOM 1019 O ALA A 68 -4.847 -14.533 -2.546 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.676 -16.919 -1.140 1.00 1.00 C ATOM 0 H ALA A 68 -1.002 -15.089 -1.835 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.328 -16.422 -3.103 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.633 -17.363 -0.865 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.000 -17.700 -1.489 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.242 -16.425 -0.271 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.559 -14.156 -0.725 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.395 -13.081 -0.219 1.00 1.00 C ATOM 1028 C ASP A 69 -4.933 -12.262 -1.394 1.00 1.00 C ATOM 1029 O ASP A 69 -6.076 -11.809 -1.368 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.596 -12.141 0.687 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.177 -11.944 2.088 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.996 -12.866 2.912 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.790 -10.876 2.304 1.00 1.00 O ATOM 0 H ASP A 69 -2.744 -14.370 -0.150 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.208 -13.528 0.353 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.581 -12.528 0.782 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.522 -11.168 0.201 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.082 -12.096 -2.396 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.458 -11.339 -3.578 1.00 1.00 C ATOM 1040 C GLU A 70 -5.710 -10.506 -3.300 1.00 1.00 C ATOM 1041 O GLU A 70 -5.615 -9.319 -2.991 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.671 -12.266 -4.777 1.00 1.00 C ATOM 1043 CG GLU A 70 -3.645 -13.401 -4.782 1.00 1.00 C ATOM 1044 CD GLU A 70 -4.205 -14.642 -5.480 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -5.023 -15.335 -4.836 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -3.802 -14.871 -6.641 1.00 1.00 O ATOM 0 H GLU A 70 -3.134 -12.472 -2.414 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.642 -10.660 -3.825 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.678 -12.682 -4.745 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.591 -11.695 -5.702 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.737 -13.073 -5.288 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.367 -13.650 -3.758 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.856 -11.161 -3.419 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.126 -10.495 -3.184 1.00 1.00 C ATOM 1055 C ALA A 71 -8.117 -9.865 -1.790 1.00 1.00 C ATOM 1056 O ALA A 71 -8.017 -8.646 -1.656 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.269 -11.497 -3.363 1.00 1.00 C ATOM 0 H ALA A 71 -6.931 -12.145 -3.675 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.278 -9.694 -3.907 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.222 -10.998 -3.187 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -9.250 -11.894 -4.378 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -9.151 -12.315 -2.652 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.221 -10.724 -0.787 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.226 -10.267 0.593 1.00 1.00 C ATOM 1065 C GLU A 72 -7.148 -9.200 0.802 1.00 1.00 C ATOM 1066 O GLU A 72 -7.428 -8.126 1.332 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.033 -11.437 1.559 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.010 -12.770 0.808 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.836 -13.942 1.777 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -8.463 -13.882 2.857 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.082 -14.870 1.415 1.00 1.00 O ATOM 0 H GLU A 72 -8.302 -11.734 -0.902 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.198 -9.821 0.804 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.101 -11.309 2.109 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -8.838 -11.443 2.294 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.937 -12.892 0.247 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.196 -12.769 0.083 1.00 1.00 H new ATOM 1078 N GLY A 73 -5.939 -9.534 0.375 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.819 -8.618 0.508 1.00 1.00 C ATOM 1080 C GLY A 73 -5.189 -7.222 0.004 1.00 1.00 C ATOM 1081 O GLY A 73 -5.476 -6.327 0.798 1.00 1.00 O ATOM 0 H GLY A 73 -5.711 -10.426 -0.063 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.513 -8.562 1.553 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -3.966 -8.997 -0.054 1.00 1.00 H new ATOM 1085 N MET A 74 -5.171 -7.080 -1.313 1.00 1.00 N ATOM 1086 CA MET A 74 -5.500 -5.807 -1.933 1.00 1.00 C ATOM 1087 C MET A 74 -6.894 -5.337 -1.510 1.00 1.00 C ATOM 1088 O MET A 74 -7.144 -4.136 -1.412 1.00 1.00 O ATOM 1089 CB MET A 74 -5.450 -5.952 -3.455 1.00 1.00 C ATOM 1090 CG MET A 74 -6.293 -7.141 -3.921 1.00 1.00 C ATOM 1091 SD MET A 74 -7.555 -6.586 -5.055 1.00 1.00 S ATOM 1092 CE MET A 74 -9.001 -6.768 -4.023 1.00 1.00 C ATOM 0 H MET A 74 -4.934 -7.825 -1.968 1.00 1.00 H new ATOM 0 HA MET A 74 -4.771 -5.065 -1.606 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.815 -5.038 -3.923 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.417 -6.085 -3.777 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.656 -7.881 -4.406 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.753 -7.630 -3.062 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.844 -7.094 -4.632 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.805 -7.510 -3.249 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.238 -5.812 -3.557 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.764 -6.307 -1.272 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.125 -6.007 -0.863 1.00 1.00 C ATOM 1104 C ALA A 75 -9.099 -4.967 0.259 1.00 1.00 C ATOM 1105 O ALA A 75 -9.702 -3.902 0.138 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.829 -7.299 -0.443 1.00 1.00 C ATOM 0 H ALA A 75 -7.553 -7.301 -1.355 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.690 -5.583 -1.693 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.850 -7.074 -0.136 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.847 -7.993 -1.283 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.291 -7.752 0.390 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.393 -5.312 1.326 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.279 -4.421 2.468 1.00 1.00 C ATOM 1114 C ALA A 76 -7.614 -3.116 2.028 1.00 1.00 C ATOM 1115 O ALA A 76 -8.174 -2.036 2.214 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.505 -5.122 3.587 1.00 1.00 C ATOM 0 H ALA A 76 -7.894 -6.196 1.424 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.265 -4.172 2.860 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.419 -4.454 4.444 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.035 -6.027 3.884 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.509 -5.385 3.231 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.430 -3.258 1.452 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.682 -2.103 0.984 1.00 1.00 C ATOM 1124 C ILE A 77 -6.617 -1.179 0.201 1.00 1.00 C ATOM 1125 O ILE A 77 -6.777 -0.010 0.550 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.451 -2.547 0.191 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.175 -2.376 1.018 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.368 -1.813 -1.149 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.144 -1.008 1.701 1.00 1.00 C ATOM 0 H ILE A 77 -5.970 -4.155 1.298 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.299 -1.530 1.828 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.552 -3.610 -0.030 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.116 -3.163 1.770 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.302 -2.485 0.374 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.484 -2.147 -1.693 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.259 -2.029 -1.738 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.301 -0.739 -0.972 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.227 -0.912 2.282 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.178 -0.223 0.945 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.005 -0.912 2.363 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.211 -1.737 -0.844 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.126 -0.978 -1.679 1.00 1.00 C ATOM 1143 C VAL A 78 -9.131 -0.243 -0.790 1.00 1.00 C ATOM 1144 O VAL A 78 -9.187 0.986 -0.795 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.794 -1.903 -2.698 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.594 -1.100 -3.726 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.762 -2.799 -3.385 1.00 1.00 C ATOM 0 H VAL A 78 -7.076 -2.706 -1.131 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.585 -0.224 -2.250 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.490 -2.546 -2.160 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -10.059 -1.782 -4.439 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.367 -0.525 -3.217 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.927 -0.420 -4.256 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.264 -3.446 -4.104 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -7.030 -2.180 -3.903 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.256 -3.410 -2.638 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.899 -1.026 -0.047 1.00 1.00 N ATOM 1158 CA GLU A 79 -10.898 -0.465 0.846 1.00 1.00 C ATOM 1159 C GLU A 79 -10.258 0.562 1.782 1.00 1.00 C ATOM 1160 O GLU A 79 -10.864 1.586 2.094 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.604 -1.566 1.641 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.012 -1.817 1.098 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.073 -1.451 2.138 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.045 -2.074 3.221 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.889 -0.557 1.825 1.00 1.00 O ATOM 0 H GLU A 79 -9.849 -2.045 -0.045 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.651 0.042 0.243 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.022 -2.486 1.591 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.661 -1.281 2.692 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.167 -1.230 0.193 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.117 -2.866 0.819 1.00 1.00 H new ATOM 1172 N THR A 80 -9.040 0.253 2.202 1.00 1.00 N ATOM 1173 CA THR A 80 -8.310 1.137 3.096 1.00 1.00 C ATOM 1174 C THR A 80 -7.903 2.417 2.365 1.00 1.00 C ATOM 1175 O THR A 80 -8.235 3.518 2.801 1.00 1.00 O ATOM 1176 CB THR A 80 -7.123 0.358 3.665 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.386 0.296 5.064 1.00 1.00 O ATOM 1178 CG2 THR A 80 -5.810 1.138 3.567 1.00 1.00 C ATOM 0 H THR A 80 -8.540 -0.597 1.940 1.00 1.00 H new ATOM 0 HA THR A 80 -8.934 1.461 3.929 1.00 1.00 H new ATOM 0 HB THR A 80 -7.023 -0.589 3.135 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.598 -0.627 5.316 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.000 0.540 3.985 1.00 1.00 H new ATOM 0 HG22 THR A 80 -5.596 1.360 2.522 1.00 1.00 H new ATOM 0 HG23 THR A 80 -5.898 2.070 4.125 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.189 2.231 1.264 1.00 1.00 N ATOM 1187 CA LEU A 81 -6.733 3.357 0.468 1.00 1.00 C ATOM 1188 C LEU A 81 -7.833 4.419 0.418 1.00 1.00 C ATOM 1189 O LEU A 81 -7.555 5.612 0.532 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.270 2.886 -0.912 1.00 1.00 C ATOM 1191 CG LEU A 81 -4.823 2.396 -1.003 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -3.905 3.497 -1.538 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.342 1.854 0.345 1.00 1.00 C ATOM 0 H LEU A 81 -6.915 1.316 0.905 1.00 1.00 H new ATOM 0 HA LEU A 81 -5.861 3.821 0.929 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -6.927 2.080 -1.238 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.400 3.707 -1.617 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.785 1.571 -1.714 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -2.883 3.123 -1.593 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.236 3.796 -2.533 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -3.941 4.358 -0.870 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.311 1.512 0.253 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.397 2.643 1.095 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -4.975 1.020 0.649 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.059 3.947 0.246 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.203 4.842 0.179 1.00 1.00 C ATOM 1207 C GLN A 82 -10.867 4.958 1.552 1.00 1.00 C ATOM 1208 O GLN A 82 -11.653 5.873 1.790 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.205 4.372 -0.877 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.478 2.872 -0.745 1.00 1.00 C ATOM 1211 CD GLN A 82 -12.971 2.572 -0.892 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -13.524 1.705 -0.236 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -13.590 3.335 -1.789 1.00 1.00 N ATOM 0 H GLN A 82 -9.286 2.957 0.151 1.00 1.00 H new ATOM 0 HA GLN A 82 -9.850 5.830 -0.117 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.138 4.926 -0.770 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -10.818 4.589 -1.873 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.917 2.328 -1.505 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.126 2.518 0.224 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -13.067 4.043 -2.304 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -14.588 3.212 -1.962 1.00 1.00 H new ATOM 1222 N LYS A 83 -10.526 4.017 2.421 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.079 4.002 3.764 1.00 1.00 C ATOM 1224 C LYS A 83 -10.377 5.065 4.612 1.00 1.00 C ATOM 1225 O LYS A 83 -11.008 5.717 5.443 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.006 2.594 4.358 1.00 1.00 C ATOM 1227 CG LYS A 83 -10.211 2.591 5.665 1.00 1.00 C ATOM 1228 CD LYS A 83 -10.308 1.233 6.363 1.00 1.00 C ATOM 1229 CE LYS A 83 -10.487 0.105 5.345 1.00 1.00 C ATOM 1230 NZ LYS A 83 -10.893 -1.146 6.023 1.00 1.00 N ATOM 0 H LYS A 83 -9.873 3.259 2.220 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.138 4.259 3.743 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.013 2.220 4.540 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -10.539 1.917 3.642 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -9.166 2.825 5.460 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.588 3.371 6.326 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -9.407 1.057 6.951 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.147 1.237 7.058 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -11.240 0.387 4.609 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -9.555 -0.054 4.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.010 -1.901 5.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.161 -1.423 6.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -11.794 -0.995 6.521 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.082 5.206 4.373 1.00 1.00 N ATOM 1245 CA GLU A 84 -8.287 6.178 5.104 1.00 1.00 C ATOM 1246 C GLU A 84 -8.214 7.495 4.329 1.00 1.00 C ATOM 1247 O GLU A 84 -7.525 8.426 4.743 1.00 1.00 O ATOM 1248 CB GLU A 84 -6.887 5.634 5.396 1.00 1.00 C ATOM 1249 CG GLU A 84 -6.675 4.277 4.722 1.00 1.00 C ATOM 1250 CD GLU A 84 -6.128 4.448 3.304 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -6.677 5.308 2.583 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -5.172 3.714 2.972 1.00 1.00 O ATOM 0 H GLU A 84 -8.563 4.663 3.683 1.00 1.00 H new ATOM 0 HA GLU A 84 -8.773 6.369 6.061 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -6.137 6.341 5.042 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -6.749 5.535 6.473 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -5.982 3.678 5.313 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.619 3.732 4.688 1.00 1.00 H new ATOM 1259 N GLY A 85 -8.933 7.530 3.217 1.00 1.00 N ATOM 1260 CA GLY A 85 -8.958 8.718 2.379 1.00 1.00 C ATOM 1261 C GLY A 85 -7.559 9.051 1.859 1.00 1.00 C ATOM 1262 O GLY A 85 -7.363 10.074 1.204 1.00 1.00 O ATOM 0 H GLY A 85 -9.503 6.755 2.876 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.634 8.561 1.539 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.348 9.561 2.949 1.00 1.00 H new ATOM 1266 N LEU A 86 -6.621 8.168 2.170 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.245 8.356 1.742 1.00 1.00 C ATOM 1268 C LEU A 86 -5.137 8.061 0.244 1.00 1.00 C ATOM 1269 O LEU A 86 -4.145 8.415 -0.392 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.297 7.520 2.603 1.00 1.00 C ATOM 1271 CG LEU A 86 -2.895 7.295 2.033 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -1.884 7.034 3.152 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.899 6.175 0.991 1.00 1.00 C ATOM 0 H LEU A 86 -6.787 7.321 2.713 1.00 1.00 H new ATOM 0 HA LEU A 86 -4.939 9.392 1.887 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -4.199 8.004 3.575 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.758 6.547 2.776 1.00 1.00 H new ATOM 0 HG LEU A 86 -2.583 8.207 1.523 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -0.896 6.877 2.720 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -1.855 7.892 3.823 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.181 6.146 3.711 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -1.890 6.036 0.602 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -3.240 5.249 1.454 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.569 6.441 0.174 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.170 7.416 -0.276 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.204 7.069 -1.686 1.00 1.00 C ATOM 1287 C ALA A 87 -7.657 6.892 -2.129 1.00 1.00 C ATOM 1288 O ALA A 87 -8.553 6.764 -1.296 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.365 5.812 -1.923 1.00 1.00 C ATOM 0 H ALA A 87 -6.991 7.124 0.255 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.771 7.868 -2.288 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.391 5.552 -2.981 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.335 6.000 -1.620 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.771 4.988 -1.337 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.847 6.891 -3.441 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.177 6.732 -4.004 1.00 1.00 C ATOM 1297 C GLU A 88 -9.653 5.287 -3.840 1.00 1.00 C ATOM 1298 O GLU A 88 -9.041 4.506 -3.113 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.203 7.154 -5.475 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.613 8.554 -5.654 1.00 1.00 C ATOM 1301 CD GLU A 88 -9.211 9.248 -6.879 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.214 8.605 -7.951 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -9.651 10.407 -6.716 1.00 1.00 O ATOM 0 H GLU A 88 -7.102 6.998 -4.130 1.00 1.00 H new ATOM 0 HA GLU A 88 -9.861 7.384 -3.461 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.638 6.438 -6.072 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.229 7.138 -5.844 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -8.807 9.151 -4.763 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.531 8.485 -5.763 1.00 1.00 H new