USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 30 GLN : amide:sc= -1.73 K(o=-6.7,f=-8.4) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -4.37! C(o=-6.7!,f=-11!) USER MOD Set 1.3: A 48 THR OG1 : rot -99:sc= -0.555! USER MOD Set 2.1: A 34 ASN : amide:sc= -1.36! C(o=-1.4!,f=-1.6!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 SER OG : rot 140:sc= -1.66! USER MOD Set 3.2: A 23 GLN : amide:sc= -6.78! C(o=-8.4!,f=-16!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.146 USER MOD Single : A 31 CYS SG : rot -34:sc= 0.0312 USER MOD Single : A 36 ASN : amide:sc= -8.68! C(o=-8.7!,f=-15!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= -2.8! (180deg=-4.04!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= -0.317 (180deg=-0.384) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.105) USER MOD Single : A 67 SER OG : rot 180:sc= 0.512 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -3.67 (180deg=-3.8!) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= 0.0222 (180deg=-0.0812) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -12.008 -11.030 -1.860 1.00 0.00 N ATOM 2 CA GLU A 16 -12.784 -10.925 -0.591 1.00 0.00 C ATOM 3 C GLU A 16 -12.257 -9.764 0.256 1.00 0.00 C ATOM 4 O GLU A 16 -13.007 -9.074 0.917 1.00 0.00 O ATOM 5 CB GLU A 16 -12.555 -12.257 0.124 1.00 0.00 C ATOM 6 CG GLU A 16 -12.998 -13.410 -0.779 1.00 0.00 C ATOM 7 CD GLU A 16 -13.744 -14.453 0.055 1.00 0.00 C ATOM 8 OE1 GLU A 16 -13.261 -14.784 1.126 1.00 0.00 O ATOM 9 OE2 GLU A 16 -14.787 -14.904 -0.390 1.00 0.00 O ATOM 0 HA GLU A 16 -13.842 -10.734 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.501 -12.367 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.114 -12.279 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.643 -13.036 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.131 -13.864 -1.258 1.00 0.00 H new ATOM 16 N GLU A 17 -10.971 -9.544 0.243 1.00 0.00 N ATOM 17 CA GLU A 17 -10.396 -8.430 1.051 1.00 0.00 C ATOM 18 C GLU A 17 -10.009 -7.261 0.137 1.00 0.00 C ATOM 19 O GLU A 17 -10.781 -6.840 -0.703 1.00 0.00 O ATOM 20 CB GLU A 17 -9.162 -9.032 1.721 1.00 0.00 C ATOM 21 CG GLU A 17 -9.580 -10.237 2.566 1.00 0.00 C ATOM 22 CD GLU A 17 -9.551 -9.858 4.048 1.00 0.00 C ATOM 23 OE1 GLU A 17 -10.562 -9.383 4.536 1.00 0.00 O ATOM 24 OE2 GLU A 17 -8.517 -10.047 4.667 1.00 0.00 O ATOM 0 H GLU A 17 -10.293 -10.087 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.101 -8.034 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.437 -9.337 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.674 -8.286 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.581 -10.563 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.908 -11.075 2.381 1.00 0.00 H new ATOM 31 N GLU A 18 -8.825 -6.727 0.289 1.00 0.00 N ATOM 32 CA GLU A 18 -8.409 -5.588 -0.576 1.00 0.00 C ATOM 33 C GLU A 18 -9.351 -4.400 -0.369 1.00 0.00 C ATOM 34 O GLU A 18 -10.267 -4.453 0.428 1.00 0.00 O ATOM 35 CB GLU A 18 -8.520 -6.116 -2.004 1.00 0.00 C ATOM 36 CG GLU A 18 -7.362 -5.572 -2.845 1.00 0.00 C ATOM 37 CD GLU A 18 -7.121 -6.496 -4.040 1.00 0.00 C ATOM 38 OE1 GLU A 18 -7.115 -7.700 -3.840 1.00 0.00 O ATOM 39 OE2 GLU A 18 -6.946 -5.985 -5.133 1.00 0.00 O ATOM 0 H GLU A 18 -8.132 -7.030 0.973 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.402 -5.240 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.500 -7.206 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.472 -5.815 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.592 -4.564 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.459 -5.502 -2.238 1.00 0.00 H new ATOM 46 N SER A 19 -9.134 -3.330 -1.082 1.00 0.00 N ATOM 47 CA SER A 19 -10.017 -2.139 -0.928 1.00 0.00 C ATOM 48 C SER A 19 -11.111 -2.151 -2.000 1.00 0.00 C ATOM 49 O SER A 19 -11.136 -3.004 -2.864 1.00 0.00 O ATOM 50 CB SER A 19 -9.093 -0.939 -1.114 1.00 0.00 C ATOM 51 OG SER A 19 -8.223 -1.182 -2.211 1.00 0.00 O ATOM 0 H SER A 19 -8.383 -3.228 -1.765 1.00 0.00 H new ATOM 0 HA SER A 19 -10.522 -2.118 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.680 -0.038 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.514 -0.767 -0.207 1.00 0.00 H new ATOM 0 HG SER A 19 -8.114 -0.358 -2.731 1.00 0.00 H new ATOM 57 N PHE A 20 -12.019 -1.212 -1.950 1.00 0.00 N ATOM 58 CA PHE A 20 -13.111 -1.176 -2.965 1.00 0.00 C ATOM 59 C PHE A 20 -13.517 0.272 -3.259 1.00 0.00 C ATOM 60 O PHE A 20 -14.607 0.537 -3.724 1.00 0.00 O ATOM 61 CB PHE A 20 -14.269 -1.938 -2.325 1.00 0.00 C ATOM 62 CG PHE A 20 -14.740 -3.018 -3.269 1.00 0.00 C ATOM 63 CD1 PHE A 20 -15.650 -2.709 -4.286 1.00 0.00 C ATOM 64 CD2 PHE A 20 -14.265 -4.327 -3.127 1.00 0.00 C ATOM 65 CE1 PHE A 20 -16.085 -3.710 -5.162 1.00 0.00 C ATOM 66 CE2 PHE A 20 -14.700 -5.328 -4.004 1.00 0.00 C ATOM 67 CZ PHE A 20 -15.610 -5.019 -5.020 1.00 0.00 C ATOM 0 H PHE A 20 -12.051 -0.470 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.807 -1.617 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.951 -2.379 -1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.088 -1.255 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.016 -1.699 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -13.563 -4.565 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -16.787 -3.473 -5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.333 -6.338 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.947 -5.791 -5.696 1.00 0.00 H new ATOM 77 N GLY A 21 -12.647 1.206 -2.992 1.00 0.00 N ATOM 78 CA GLY A 21 -12.982 2.634 -3.256 1.00 0.00 C ATOM 79 C GLY A 21 -11.708 3.399 -3.625 1.00 0.00 C ATOM 80 O GLY A 21 -10.997 3.013 -4.531 1.00 0.00 O ATOM 0 H GLY A 21 -11.719 1.043 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.708 2.704 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.443 3.079 -2.374 1.00 0.00 H new ATOM 84 N PRO A 22 -11.459 4.462 -2.907 1.00 0.00 N ATOM 85 CA PRO A 22 -10.260 5.287 -3.164 1.00 0.00 C ATOM 86 C PRO A 22 -9.040 4.672 -2.472 1.00 0.00 C ATOM 87 O PRO A 22 -9.167 3.832 -1.602 1.00 0.00 O ATOM 88 CB PRO A 22 -10.617 6.632 -2.540 1.00 0.00 C ATOM 89 CG PRO A 22 -11.638 6.331 -1.484 1.00 0.00 C ATOM 90 CD PRO A 22 -12.263 4.992 -1.803 1.00 0.00 C ATOM 0 HA PRO A 22 -10.006 5.367 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.737 7.110 -2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.017 7.317 -3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.172 6.308 -0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -12.400 7.110 -1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.238 4.327 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.309 5.101 -2.091 1.00 0.00 H new ATOM 98 N GLN A 23 -7.858 5.079 -2.849 1.00 0.00 N ATOM 99 CA GLN A 23 -6.638 4.509 -2.207 1.00 0.00 C ATOM 100 C GLN A 23 -5.548 5.564 -2.057 1.00 0.00 C ATOM 101 O GLN A 23 -4.388 5.272 -2.252 1.00 0.00 O ATOM 102 CB GLN A 23 -6.182 3.388 -3.143 1.00 0.00 C ATOM 103 CG GLN A 23 -6.159 2.062 -2.383 1.00 0.00 C ATOM 104 CD GLN A 23 -7.519 1.824 -1.725 1.00 0.00 C ATOM 105 OE1 GLN A 23 -8.432 1.328 -2.353 1.00 0.00 O ATOM 106 NE2 GLN A 23 -7.691 2.159 -0.477 1.00 0.00 N ATOM 0 H GLN A 23 -7.684 5.779 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.846 4.145 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.855 3.317 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.190 3.610 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.926 1.244 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.375 2.079 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.923 2.576 0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.593 2.004 -0.027 1.00 0.00 H new ATOM 115 N PRO A 24 -5.937 6.750 -1.673 1.00 0.00 N ATOM 116 CA PRO A 24 -4.944 7.825 -1.465 1.00 0.00 C ATOM 117 C PRO A 24 -4.069 7.449 -0.273 1.00 0.00 C ATOM 118 O PRO A 24 -4.019 8.138 0.728 1.00 0.00 O ATOM 119 CB PRO A 24 -5.801 9.058 -1.180 1.00 0.00 C ATOM 120 CG PRO A 24 -7.093 8.511 -0.673 1.00 0.00 C ATOM 121 CD PRO A 24 -7.304 7.200 -1.384 1.00 0.00 C ATOM 0 HA PRO A 24 -4.273 7.995 -2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.329 9.707 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.949 9.654 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.057 8.367 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.913 9.200 -0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.839 6.485 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.887 7.326 -2.296 1.00 0.00 H new ATOM 129 N ILE A 25 -3.386 6.343 -0.380 1.00 0.00 N ATOM 130 CA ILE A 25 -2.516 5.880 0.724 1.00 0.00 C ATOM 131 C ILE A 25 -1.335 6.820 0.875 1.00 0.00 C ATOM 132 O ILE A 25 -0.577 6.736 1.820 1.00 0.00 O ATOM 133 CB ILE A 25 -2.037 4.506 0.278 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.138 4.679 -0.950 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.246 3.638 -0.080 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.970 3.341 -1.662 1.00 0.00 C ATOM 0 H ILE A 25 -3.398 5.736 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.032 5.850 1.684 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.479 4.022 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.574 5.411 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.164 5.065 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.905 2.653 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.890 3.533 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.805 4.109 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.330 3.471 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.515 2.621 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.946 2.973 -1.980 1.00 0.00 H new ATOM 148 N SER A 26 -1.175 7.709 -0.059 1.00 0.00 N ATOM 149 CA SER A 26 -0.034 8.665 0.009 1.00 0.00 C ATOM 150 C SER A 26 0.177 9.126 1.451 1.00 0.00 C ATOM 151 O SER A 26 1.156 8.798 2.085 1.00 0.00 O ATOM 152 CB SER A 26 -0.442 9.852 -0.862 1.00 0.00 C ATOM 153 OG SER A 26 -1.729 9.615 -1.418 1.00 0.00 O ATOM 0 H SER A 26 -1.785 7.818 -0.870 1.00 0.00 H new ATOM 0 HA SER A 26 0.896 8.211 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.454 10.765 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.288 10.000 -1.658 1.00 0.00 H new ATOM 0 HG SER A 26 -1.990 10.378 -1.975 1.00 0.00 H new ATOM 159 N ARG A 27 -0.741 9.882 1.969 1.00 0.00 N ATOM 160 CA ARG A 27 -0.604 10.378 3.368 1.00 0.00 C ATOM 161 C ARG A 27 -0.382 9.217 4.347 1.00 0.00 C ATOM 162 O ARG A 27 0.262 9.370 5.364 1.00 0.00 O ATOM 163 CB ARG A 27 -1.933 11.078 3.658 1.00 0.00 C ATOM 164 CG ARG A 27 -1.695 12.266 4.592 1.00 0.00 C ATOM 165 CD ARG A 27 -3.036 12.904 4.960 1.00 0.00 C ATOM 166 NE ARG A 27 -3.537 12.108 6.116 1.00 0.00 N ATOM 167 CZ ARG A 27 -4.760 12.271 6.544 1.00 0.00 C ATOM 168 NH1 ARG A 27 -5.543 13.153 5.982 1.00 0.00 N ATOM 169 NH2 ARG A 27 -5.199 11.557 7.544 1.00 0.00 N ATOM 0 H ARG A 27 -1.587 10.182 1.485 1.00 0.00 H new ATOM 0 HA ARG A 27 0.253 11.041 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.386 11.419 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.632 10.378 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.178 11.936 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.052 13.000 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.914 13.954 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.734 12.867 4.123 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.923 11.434 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.200 13.718 5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.497 13.276 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.587 10.873 7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.154 11.683 7.880 1.00 0.00 H new ATOM 183 N LEU A 28 -0.919 8.064 4.061 1.00 0.00 N ATOM 184 CA LEU A 28 -0.753 6.907 4.993 1.00 0.00 C ATOM 185 C LEU A 28 0.671 6.345 4.958 1.00 0.00 C ATOM 186 O LEU A 28 1.398 6.422 5.929 1.00 0.00 O ATOM 187 CB LEU A 28 -1.752 5.861 4.503 1.00 0.00 C ATOM 188 CG LEU A 28 -2.694 5.483 5.650 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.531 6.700 6.053 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.622 4.353 5.198 1.00 0.00 C ATOM 0 H LEU A 28 -1.466 7.870 3.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.929 7.204 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.324 6.254 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.224 4.977 4.145 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.105 5.151 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.200 6.427 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.871 7.504 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.119 7.036 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.292 4.084 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.209 4.685 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.027 3.484 4.916 1.00 0.00 H new ATOM 202 N GLU A 29 1.072 5.755 3.867 1.00 0.00 N ATOM 203 CA GLU A 29 2.441 5.170 3.814 1.00 0.00 C ATOM 204 C GLU A 29 3.497 6.247 3.561 1.00 0.00 C ATOM 205 O GLU A 29 4.608 6.155 4.044 1.00 0.00 O ATOM 206 CB GLU A 29 2.392 4.151 2.666 1.00 0.00 C ATOM 207 CG GLU A 29 2.798 4.813 1.348 1.00 0.00 C ATOM 208 CD GLU A 29 4.323 4.822 1.236 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.911 3.758 1.337 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.877 5.893 1.052 1.00 0.00 O ATOM 0 H GLU A 29 0.517 5.653 3.017 1.00 0.00 H new ATOM 0 HA GLU A 29 2.721 4.703 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.060 3.317 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.386 3.740 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.363 4.272 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.413 5.832 1.306 1.00 0.00 H new ATOM 217 N GLN A 30 3.177 7.259 2.808 1.00 0.00 N ATOM 218 CA GLN A 30 4.197 8.306 2.543 1.00 0.00 C ATOM 219 C GLN A 30 4.476 9.102 3.817 1.00 0.00 C ATOM 220 O GLN A 30 5.575 9.571 4.037 1.00 0.00 O ATOM 221 CB GLN A 30 3.599 9.220 1.477 1.00 0.00 C ATOM 222 CG GLN A 30 4.719 10.032 0.826 1.00 0.00 C ATOM 223 CD GLN A 30 4.132 10.981 -0.223 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.789 11.314 -1.190 1.00 0.00 O ATOM 225 NE2 GLN A 30 2.918 11.433 -0.073 1.00 0.00 N ATOM 0 H GLN A 30 2.267 7.406 2.370 1.00 0.00 H new ATOM 0 HA GLN A 30 5.140 7.869 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.078 8.628 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.862 9.887 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.256 10.602 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.442 9.362 0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.366 11.154 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.520 12.066 -0.767 1.00 0.00 H new ATOM 234 N CYS A 31 3.492 9.261 4.663 1.00 0.00 N ATOM 235 CA CYS A 31 3.722 10.029 5.916 1.00 0.00 C ATOM 236 C CYS A 31 4.434 9.141 6.932 1.00 0.00 C ATOM 237 O CYS A 31 4.962 9.609 7.922 1.00 0.00 O ATOM 238 CB CYS A 31 2.334 10.421 6.418 1.00 0.00 C ATOM 239 SG CYS A 31 2.497 11.628 7.757 1.00 0.00 S ATOM 0 H CYS A 31 2.548 8.895 4.540 1.00 0.00 H new ATOM 0 HA CYS A 31 4.346 10.909 5.757 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.746 10.843 5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.801 9.539 6.772 1.00 0.00 H new ATOM 0 HG CYS A 31 3.569 11.370 8.446 1.00 0.00 H new ATOM 245 N GLY A 32 4.470 7.859 6.686 1.00 0.00 N ATOM 246 CA GLY A 32 5.166 6.948 7.633 1.00 0.00 C ATOM 247 C GLY A 32 4.208 5.875 8.160 1.00 0.00 C ATOM 248 O GLY A 32 3.844 5.880 9.318 1.00 0.00 O ATOM 0 H GLY A 32 4.049 7.407 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.011 6.474 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.570 7.522 8.467 1.00 0.00 H new ATOM 252 N ILE A 33 3.815 4.937 7.337 1.00 0.00 N ATOM 253 CA ILE A 33 2.912 3.866 7.835 1.00 0.00 C ATOM 254 C ILE A 33 3.775 2.710 8.361 1.00 0.00 C ATOM 255 O ILE A 33 4.693 2.918 9.130 1.00 0.00 O ATOM 256 CB ILE A 33 2.044 3.452 6.624 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.880 2.578 7.102 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.876 2.675 5.585 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.432 3.129 6.547 1.00 0.00 C ATOM 0 H ILE A 33 4.078 4.869 6.354 1.00 0.00 H new ATOM 0 HA ILE A 33 2.269 4.184 8.656 1.00 0.00 H new ATOM 0 HB ILE A 33 1.661 4.357 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.024 1.549 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.848 2.561 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.240 2.397 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.693 3.303 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.284 1.775 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.260 2.507 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.576 4.150 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.397 3.123 5.458 1.00 0.00 H new ATOM 271 N ASN A 34 3.502 1.512 7.960 1.00 0.00 N ATOM 272 CA ASN A 34 4.316 0.353 8.437 1.00 0.00 C ATOM 273 C ASN A 34 5.578 0.203 7.574 1.00 0.00 C ATOM 274 O ASN A 34 6.058 1.155 6.993 1.00 0.00 O ATOM 275 CB ASN A 34 3.402 -0.865 8.280 1.00 0.00 C ATOM 276 CG ASN A 34 3.321 -1.617 9.609 1.00 0.00 C ATOM 277 OD1 ASN A 34 4.086 -2.530 9.850 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.419 -1.273 10.488 1.00 0.00 N ATOM 0 H ASN A 34 2.746 1.274 7.318 1.00 0.00 H new ATOM 0 HA ASN A 34 4.651 0.476 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.407 -0.548 7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.786 -1.523 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.357 -1.770 11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.777 -0.507 10.286 1.00 0.00 H new ATOM 285 N ALA A 35 6.121 -0.984 7.491 1.00 0.00 N ATOM 286 CA ALA A 35 7.354 -1.190 6.668 1.00 0.00 C ATOM 287 C ALA A 35 7.190 -0.564 5.291 1.00 0.00 C ATOM 288 O ALA A 35 8.153 -0.206 4.644 1.00 0.00 O ATOM 289 CB ALA A 35 7.492 -2.701 6.508 1.00 0.00 C ATOM 0 H ALA A 35 5.766 -1.819 7.956 1.00 0.00 H new ATOM 0 HA ALA A 35 8.223 -0.734 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.378 -2.925 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.588 -3.164 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.609 -3.096 6.006 1.00 0.00 H new ATOM 295 N ASN A 36 5.979 -0.460 4.826 1.00 0.00 N ATOM 296 CA ASN A 36 5.753 0.108 3.472 1.00 0.00 C ATOM 297 C ASN A 36 6.673 1.289 3.208 1.00 0.00 C ATOM 298 O ASN A 36 7.273 1.389 2.158 1.00 0.00 O ATOM 299 CB ASN A 36 4.306 0.581 3.454 1.00 0.00 C ATOM 300 CG ASN A 36 3.375 -0.610 3.672 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.568 -1.388 4.585 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.364 -0.789 2.868 1.00 0.00 N ATOM 0 H ASN A 36 5.136 -0.744 5.325 1.00 0.00 H new ATOM 0 HA ASN A 36 5.957 -0.638 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.147 1.327 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.082 1.061 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.737 -1.581 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.201 -0.137 2.101 1.00 0.00 H new ATOM 309 N ASP A 37 6.772 2.188 4.148 1.00 0.00 N ATOM 310 CA ASP A 37 7.642 3.379 3.957 1.00 0.00 C ATOM 311 C ASP A 37 8.872 3.015 3.121 1.00 0.00 C ATOM 312 O ASP A 37 8.949 3.298 1.937 1.00 0.00 O ATOM 313 CB ASP A 37 8.068 3.768 5.371 1.00 0.00 C ATOM 314 CG ASP A 37 7.167 4.887 5.885 1.00 0.00 C ATOM 315 OD1 ASP A 37 6.041 4.592 6.248 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.618 6.021 5.904 1.00 0.00 O ATOM 0 H ASP A 37 6.285 2.147 5.043 1.00 0.00 H new ATOM 0 HA ASP A 37 7.130 4.186 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.005 2.904 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.108 4.095 5.372 1.00 0.00 H new ATOM 321 N VAL A 38 9.819 2.377 3.743 1.00 0.00 N ATOM 322 CA VAL A 38 11.068 1.971 3.041 1.00 0.00 C ATOM 323 C VAL A 38 10.791 1.151 1.778 1.00 0.00 C ATOM 324 O VAL A 38 11.221 1.497 0.700 1.00 0.00 O ATOM 325 CB VAL A 38 11.805 1.101 4.057 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.191 0.749 3.513 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.948 1.869 5.374 1.00 0.00 C ATOM 0 H VAL A 38 9.781 2.114 4.728 1.00 0.00 H new ATOM 0 HA VAL A 38 11.632 2.845 2.714 1.00 0.00 H new ATOM 0 HB VAL A 38 11.242 0.184 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.719 0.128 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.086 0.204 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.757 1.664 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.474 1.250 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.513 2.785 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.959 2.119 5.758 1.00 0.00 H new ATOM 337 N LYS A 39 10.125 0.041 1.905 1.00 0.00 N ATOM 338 CA LYS A 39 9.898 -0.816 0.708 1.00 0.00 C ATOM 339 C LYS A 39 8.817 -0.266 -0.222 1.00 0.00 C ATOM 340 O LYS A 39 9.087 0.099 -1.348 1.00 0.00 O ATOM 341 CB LYS A 39 9.461 -2.165 1.278 1.00 0.00 C ATOM 342 CG LYS A 39 10.686 -3.061 1.463 1.00 0.00 C ATOM 343 CD LYS A 39 10.981 -3.225 2.955 1.00 0.00 C ATOM 344 CE LYS A 39 12.365 -2.653 3.265 1.00 0.00 C ATOM 345 NZ LYS A 39 12.505 -2.769 4.743 1.00 0.00 N ATOM 0 H LYS A 39 9.730 -0.310 2.777 1.00 0.00 H new ATOM 0 HA LYS A 39 10.800 -0.872 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.955 -2.022 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.747 -2.641 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.509 -4.035 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.548 -2.625 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.222 -2.711 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.941 -4.279 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.147 -3.210 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.445 -1.615 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.431 -2.396 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.751 -2.224 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.431 -3.768 5.021 1.00 0.00 H new ATOM 359 N LYS A 40 7.596 -0.262 0.223 1.00 0.00 N ATOM 360 CA LYS A 40 6.470 0.189 -0.648 1.00 0.00 C ATOM 361 C LYS A 40 6.803 1.420 -1.497 1.00 0.00 C ATOM 362 O LYS A 40 6.687 1.390 -2.698 1.00 0.00 O ATOM 363 CB LYS A 40 5.325 0.536 0.294 1.00 0.00 C ATOM 364 CG LYS A 40 4.137 -0.392 0.021 1.00 0.00 C ATOM 365 CD LYS A 40 3.241 0.225 -1.053 1.00 0.00 C ATOM 366 CE LYS A 40 2.697 1.568 -0.558 1.00 0.00 C ATOM 367 NZ LYS A 40 1.651 1.952 -1.547 1.00 0.00 N ATOM 0 H LYS A 40 7.323 -0.554 1.161 1.00 0.00 H new ATOM 0 HA LYS A 40 6.231 -0.606 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.649 0.434 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.028 1.575 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.493 -1.369 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.568 -0.550 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.806 0.367 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.417 -0.450 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.278 1.478 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.486 2.318 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.663 2.983 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.842 1.481 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.717 1.660 -1.195 1.00 0.00 H new ATOM 381 N LEU A 41 7.135 2.527 -0.892 1.00 0.00 N ATOM 382 CA LEU A 41 7.363 3.758 -1.712 1.00 0.00 C ATOM 383 C LEU A 41 8.789 3.913 -2.248 1.00 0.00 C ATOM 384 O LEU A 41 9.026 4.732 -3.114 1.00 0.00 O ATOM 385 CB LEU A 41 7.022 4.917 -0.777 1.00 0.00 C ATOM 386 CG LEU A 41 8.214 5.229 0.129 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.954 6.461 -0.398 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.710 5.508 1.543 1.00 0.00 C ATOM 0 H LEU A 41 7.257 2.636 0.115 1.00 0.00 H new ATOM 0 HA LEU A 41 6.747 3.717 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.758 5.799 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.152 4.662 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 41 8.894 4.377 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.803 6.680 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.310 6.266 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.277 7.315 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.556 5.731 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.031 6.360 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.183 4.632 1.921 1.00 0.00 H new ATOM 400 N GLU A 42 9.756 3.209 -1.746 1.00 0.00 N ATOM 401 CA GLU A 42 11.125 3.450 -2.275 1.00 0.00 C ATOM 402 C GLU A 42 11.354 2.797 -3.640 1.00 0.00 C ATOM 403 O GLU A 42 11.710 3.464 -4.590 1.00 0.00 O ATOM 404 CB GLU A 42 12.082 2.878 -1.236 1.00 0.00 C ATOM 405 CG GLU A 42 13.512 3.294 -1.577 1.00 0.00 C ATOM 406 CD GLU A 42 13.661 4.804 -1.382 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.456 5.261 -0.269 1.00 0.00 O ATOM 408 OE2 GLU A 42 13.973 5.479 -2.350 1.00 0.00 O ATOM 0 H GLU A 42 9.669 2.500 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 42 11.283 4.516 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.814 3.238 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.004 1.791 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.219 2.762 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.745 3.024 -2.607 1.00 0.00 H new ATOM 415 N GLU A 43 11.194 1.508 -3.746 1.00 0.00 N ATOM 416 CA GLU A 43 11.452 0.847 -5.067 1.00 0.00 C ATOM 417 C GLU A 43 10.894 1.700 -6.208 1.00 0.00 C ATOM 418 O GLU A 43 11.630 2.325 -6.947 1.00 0.00 O ATOM 419 CB GLU A 43 10.775 -0.540 -5.080 1.00 0.00 C ATOM 420 CG GLU A 43 9.921 -0.825 -3.831 1.00 0.00 C ATOM 421 CD GLU A 43 8.674 0.063 -3.831 1.00 0.00 C ATOM 422 OE1 GLU A 43 8.818 1.263 -3.674 1.00 0.00 O ATOM 423 OE2 GLU A 43 7.593 -0.477 -3.988 1.00 0.00 O ATOM 0 H GLU A 43 10.901 0.887 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 43 12.527 0.737 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.144 -0.618 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.543 -1.308 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.629 -1.875 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.507 -0.642 -2.931 1.00 0.00 H new ATOM 430 N ALA A 44 9.604 1.726 -6.363 1.00 0.00 N ATOM 431 CA ALA A 44 8.997 2.529 -7.456 1.00 0.00 C ATOM 432 C ALA A 44 8.417 3.828 -6.899 1.00 0.00 C ATOM 433 O ALA A 44 8.688 4.907 -7.386 1.00 0.00 O ATOM 434 CB ALA A 44 7.873 1.649 -7.991 1.00 0.00 C ATOM 0 H ALA A 44 8.939 1.222 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 44 9.722 2.803 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.365 2.163 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.289 0.710 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.160 1.443 -7.192 1.00 0.00 H new ATOM 440 N GLY A 45 7.607 3.723 -5.885 1.00 0.00 N ATOM 441 CA GLY A 45 6.986 4.936 -5.293 1.00 0.00 C ATOM 442 C GLY A 45 5.471 4.750 -5.277 1.00 0.00 C ATOM 443 O GLY A 45 4.720 5.632 -5.643 1.00 0.00 O ATOM 0 H GLY A 45 7.347 2.843 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.358 5.096 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.252 5.819 -5.874 1.00 0.00 H new ATOM 447 N PHE A 46 5.017 3.597 -4.861 1.00 0.00 N ATOM 448 CA PHE A 46 3.530 3.351 -4.833 1.00 0.00 C ATOM 449 C PHE A 46 2.848 4.100 -3.681 1.00 0.00 C ATOM 450 O PHE A 46 1.701 3.847 -3.376 1.00 0.00 O ATOM 451 CB PHE A 46 3.346 1.848 -4.631 1.00 0.00 C ATOM 452 CG PHE A 46 4.130 1.099 -5.670 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.460 0.795 -5.425 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.531 0.719 -6.876 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.208 0.116 -6.368 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.283 0.030 -7.835 1.00 0.00 C ATOM 457 CZ PHE A 46 5.627 -0.273 -7.580 1.00 0.00 C ATOM 0 H PHE A 46 5.596 2.820 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 46 3.079 3.707 -5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.679 1.562 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.290 1.588 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.915 1.091 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.495 0.956 -7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.244 -0.115 -6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.829 -0.267 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.212 -0.805 -8.316 1.00 0.00 H new ATOM 467 N HIS A 47 3.528 5.005 -3.032 1.00 0.00 N ATOM 468 CA HIS A 47 2.885 5.743 -1.904 1.00 0.00 C ATOM 469 C HIS A 47 1.705 6.580 -2.407 1.00 0.00 C ATOM 470 O HIS A 47 1.737 7.792 -2.376 1.00 0.00 O ATOM 471 CB HIS A 47 3.987 6.647 -1.341 1.00 0.00 C ATOM 472 CG HIS A 47 4.416 7.642 -2.385 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.967 7.584 -3.696 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.255 8.728 -2.325 1.00 0.00 C ATOM 475 CE1 HIS A 47 4.532 8.607 -4.363 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.326 9.335 -3.573 1.00 0.00 N ATOM 0 H HIS A 47 4.494 5.265 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 47 2.485 5.066 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.624 7.169 -0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.840 6.044 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.780 9.060 -1.442 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.364 8.814 -5.410 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.868 10.160 -3.831 1.00 0.00 H new ATOM 484 N THR A 48 0.658 5.939 -2.863 1.00 0.00 N ATOM 485 CA THR A 48 -0.530 6.696 -3.362 1.00 0.00 C ATOM 486 C THR A 48 -1.586 5.741 -3.940 1.00 0.00 C ATOM 487 O THR A 48 -1.400 4.542 -3.980 1.00 0.00 O ATOM 488 CB THR A 48 0.007 7.610 -4.466 1.00 0.00 C ATOM 489 OG1 THR A 48 1.295 7.164 -4.867 1.00 0.00 O ATOM 490 CG2 THR A 48 0.094 9.045 -3.946 1.00 0.00 C ATOM 0 H THR A 48 0.575 4.924 -2.911 1.00 0.00 H new ATOM 0 HA THR A 48 -1.012 7.254 -2.559 1.00 0.00 H new ATOM 0 HB THR A 48 -0.666 7.580 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.981 7.712 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.477 9.695 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.897 9.384 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.765 9.081 -3.088 1.00 0.00 H new ATOM 498 N VAL A 49 -2.694 6.285 -4.378 1.00 0.00 N ATOM 499 CA VAL A 49 -3.798 5.457 -4.964 1.00 0.00 C ATOM 500 C VAL A 49 -3.259 4.226 -5.708 1.00 0.00 C ATOM 501 O VAL A 49 -3.914 3.205 -5.780 1.00 0.00 O ATOM 502 CB VAL A 49 -4.514 6.395 -5.939 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.365 7.392 -5.149 1.00 0.00 C ATOM 504 CG2 VAL A 49 -3.479 7.159 -6.769 1.00 0.00 C ATOM 0 H VAL A 49 -2.885 7.287 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.457 5.070 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.152 5.811 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.876 8.062 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.102 6.851 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.723 7.974 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.990 7.827 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.841 7.744 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.868 6.451 -7.330 1.00 0.00 H new ATOM 514 N GLU A 50 -2.084 4.312 -6.263 1.00 0.00 N ATOM 515 CA GLU A 50 -1.516 3.145 -7.003 1.00 0.00 C ATOM 516 C GLU A 50 -1.812 1.823 -6.276 1.00 0.00 C ATOM 517 O GLU A 50 -1.840 0.771 -6.883 1.00 0.00 O ATOM 518 CB GLU A 50 -0.010 3.402 -7.045 1.00 0.00 C ATOM 519 CG GLU A 50 0.543 2.977 -8.406 1.00 0.00 C ATOM 520 CD GLU A 50 0.913 4.217 -9.221 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.379 5.176 -8.627 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.724 4.188 -10.426 1.00 0.00 O ATOM 0 H GLU A 50 -1.489 5.140 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.952 3.050 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.194 4.459 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.487 2.847 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.420 2.343 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.199 2.385 -8.942 1.00 0.00 H new ATOM 529 N ALA A 51 -2.022 1.863 -4.987 1.00 0.00 N ATOM 530 CA ALA A 51 -2.302 0.599 -4.243 1.00 0.00 C ATOM 531 C ALA A 51 -3.565 -0.085 -4.778 1.00 0.00 C ATOM 532 O ALA A 51 -3.822 -1.237 -4.489 1.00 0.00 O ATOM 533 CB ALA A 51 -2.506 1.027 -2.790 1.00 0.00 C ATOM 0 H ALA A 51 -2.012 2.710 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.489 -0.119 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.717 0.150 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.603 1.515 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.344 1.722 -2.729 1.00 0.00 H new ATOM 539 N VAL A 52 -4.359 0.608 -5.548 1.00 0.00 N ATOM 540 CA VAL A 52 -5.603 -0.022 -6.086 1.00 0.00 C ATOM 541 C VAL A 52 -5.392 -0.484 -7.530 1.00 0.00 C ATOM 542 O VAL A 52 -4.860 0.236 -8.352 1.00 0.00 O ATOM 543 CB VAL A 52 -6.668 1.075 -6.018 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.446 2.079 -7.152 1.00 0.00 C ATOM 545 CG2 VAL A 52 -8.053 0.442 -6.163 1.00 0.00 C ATOM 0 H VAL A 52 -4.204 1.577 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.893 -0.905 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.598 1.591 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.206 2.859 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.458 2.528 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.516 1.566 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.815 1.220 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.119 -0.073 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.213 -0.273 -5.356 1.00 0.00 H new ATOM 555 N ALA A 53 -5.810 -1.683 -7.842 1.00 0.00 N ATOM 556 CA ALA A 53 -5.639 -2.204 -9.230 1.00 0.00 C ATOM 557 C ALA A 53 -4.275 -1.787 -9.785 1.00 0.00 C ATOM 558 O ALA A 53 -3.312 -1.676 -9.056 1.00 0.00 O ATOM 559 CB ALA A 53 -6.768 -1.560 -10.039 1.00 0.00 C ATOM 0 H ALA A 53 -6.264 -2.326 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.680 -3.292 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.710 -1.895 -11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.730 -1.851 -9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.669 -0.475 -10.002 1.00 0.00 H new ATOM 565 N TYR A 54 -4.192 -1.551 -11.066 1.00 0.00 N ATOM 566 CA TYR A 54 -2.892 -1.135 -11.668 1.00 0.00 C ATOM 567 C TYR A 54 -1.811 -2.182 -11.384 1.00 0.00 C ATOM 568 O TYR A 54 -1.493 -3.001 -12.224 1.00 0.00 O ATOM 569 CB TYR A 54 -2.549 0.192 -10.991 1.00 0.00 C ATOM 570 CG TYR A 54 -3.554 1.243 -11.401 1.00 0.00 C ATOM 571 CD1 TYR A 54 -3.978 1.326 -12.733 1.00 0.00 C ATOM 572 CD2 TYR A 54 -4.060 2.137 -10.450 1.00 0.00 C ATOM 573 CE1 TYR A 54 -4.909 2.301 -13.113 1.00 0.00 C ATOM 574 CE2 TYR A 54 -4.990 3.112 -10.829 1.00 0.00 C ATOM 575 CZ TYR A 54 -5.414 3.194 -12.160 1.00 0.00 C ATOM 576 OH TYR A 54 -6.331 4.155 -12.534 1.00 0.00 O ATOM 0 H TYR A 54 -4.969 -1.628 -11.723 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.954 -1.036 -12.752 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.555 0.072 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.544 0.506 -11.272 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.587 0.638 -13.468 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.732 2.074 -9.423 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.237 2.364 -14.140 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.380 3.801 -10.094 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.580 4.691 -11.752 1.00 0.00 H new ATOM 586 N ALA A 55 -1.244 -2.165 -10.208 1.00 0.00 N ATOM 587 CA ALA A 55 -0.184 -3.163 -9.878 1.00 0.00 C ATOM 588 C ALA A 55 -0.633 -4.047 -8.714 1.00 0.00 C ATOM 589 O ALA A 55 -1.082 -3.554 -7.698 1.00 0.00 O ATOM 590 CB ALA A 55 1.039 -2.335 -9.471 1.00 0.00 C ATOM 0 H ALA A 55 -1.468 -1.505 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 55 0.030 -3.822 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.861 -3.003 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.338 -1.695 -10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.790 -1.717 -8.608 1.00 0.00 H new ATOM 596 N PRO A 56 -0.484 -5.330 -8.895 1.00 0.00 N ATOM 597 CA PRO A 56 -0.865 -6.295 -7.838 1.00 0.00 C ATOM 598 C PRO A 56 0.108 -6.192 -6.665 1.00 0.00 C ATOM 599 O PRO A 56 1.275 -6.506 -6.785 1.00 0.00 O ATOM 600 CB PRO A 56 -0.762 -7.649 -8.536 1.00 0.00 C ATOM 601 CG PRO A 56 0.200 -7.433 -9.658 1.00 0.00 C ATOM 602 CD PRO A 56 0.050 -5.997 -10.087 1.00 0.00 C ATOM 0 HA PRO A 56 -1.858 -6.122 -7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.405 -8.419 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.733 -7.977 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.221 -7.636 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.014 -8.109 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.005 -5.568 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.627 -5.902 -10.936 1.00 0.00 H new ATOM 610 N LYS A 57 -0.366 -5.736 -5.538 1.00 0.00 N ATOM 611 CA LYS A 57 0.517 -5.588 -4.345 1.00 0.00 C ATOM 612 C LYS A 57 1.509 -6.748 -4.260 1.00 0.00 C ATOM 613 O LYS A 57 2.660 -6.566 -3.925 1.00 0.00 O ATOM 614 CB LYS A 57 -0.433 -5.606 -3.148 1.00 0.00 C ATOM 615 CG LYS A 57 -1.122 -6.969 -3.064 1.00 0.00 C ATOM 616 CD LYS A 57 -2.106 -6.972 -1.892 1.00 0.00 C ATOM 617 CE LYS A 57 -3.282 -7.895 -2.213 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.219 -7.060 -3.013 1.00 0.00 N ATOM 0 H LYS A 57 -1.336 -5.457 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 57 1.110 -4.674 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.119 -5.408 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.177 -4.816 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.648 -7.180 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.380 -7.756 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.605 -7.307 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.465 -5.960 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.955 -8.770 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.757 -8.260 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.045 -7.630 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.532 -6.247 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.736 -6.719 -3.868 1.00 0.00 H new ATOM 632 N LYS A 58 1.076 -7.939 -4.564 1.00 0.00 N ATOM 633 CA LYS A 58 2.007 -9.102 -4.499 1.00 0.00 C ATOM 634 C LYS A 58 3.209 -8.871 -5.416 1.00 0.00 C ATOM 635 O LYS A 58 4.308 -9.318 -5.154 1.00 0.00 O ATOM 636 CB LYS A 58 1.185 -10.295 -4.986 1.00 0.00 C ATOM 637 CG LYS A 58 0.557 -9.972 -6.343 1.00 0.00 C ATOM 638 CD LYS A 58 0.016 -11.258 -6.969 1.00 0.00 C ATOM 639 CE LYS A 58 -1.318 -11.623 -6.313 1.00 0.00 C ATOM 640 NZ LYS A 58 -1.011 -12.800 -5.453 1.00 0.00 N ATOM 0 H LYS A 58 0.123 -8.158 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 58 2.400 -9.259 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.821 -11.176 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.406 -10.532 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.248 -9.247 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.298 -9.518 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.119 -11.124 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.732 -12.069 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.709 -10.794 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.073 -11.866 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.877 -13.111 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.647 -13.575 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.294 -12.537 -4.747 1.00 0.00 H new ATOM 654 N GLU A 59 3.008 -8.164 -6.488 1.00 0.00 N ATOM 655 CA GLU A 59 4.132 -7.893 -7.427 1.00 0.00 C ATOM 656 C GLU A 59 4.975 -6.744 -6.899 1.00 0.00 C ATOM 657 O GLU A 59 6.179 -6.845 -6.785 1.00 0.00 O ATOM 658 CB GLU A 59 3.466 -7.516 -8.748 1.00 0.00 C ATOM 659 CG GLU A 59 4.520 -6.985 -9.721 1.00 0.00 C ATOM 660 CD GLU A 59 4.085 -7.288 -11.156 1.00 0.00 C ATOM 661 OE1 GLU A 59 2.994 -7.807 -11.326 1.00 0.00 O ATOM 662 OE2 GLU A 59 4.851 -6.997 -12.059 1.00 0.00 O ATOM 0 H GLU A 59 2.111 -7.760 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 59 4.796 -8.750 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.966 -8.385 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.700 -6.760 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.646 -5.911 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.486 -7.448 -9.517 1.00 0.00 H new ATOM 669 N LEU A 60 4.356 -5.654 -6.555 1.00 0.00 N ATOM 670 CA LEU A 60 5.143 -4.523 -6.013 1.00 0.00 C ATOM 671 C LEU A 60 6.006 -5.055 -4.865 1.00 0.00 C ATOM 672 O LEU A 60 7.219 -5.019 -4.913 1.00 0.00 O ATOM 673 CB LEU A 60 4.090 -3.500 -5.541 1.00 0.00 C ATOM 674 CG LEU A 60 4.403 -2.971 -4.133 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.848 -2.453 -4.068 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.443 -1.826 -3.801 1.00 0.00 C ATOM 0 H LEU A 60 3.350 -5.499 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 60 5.820 -4.058 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.052 -2.667 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.104 -3.965 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 60 4.283 -3.781 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.056 -2.081 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.536 -3.264 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.978 -1.645 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.661 -1.447 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.567 -1.024 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.416 -2.191 -3.835 1.00 0.00 H new ATOM 688 N ILE A 61 5.381 -5.551 -3.835 1.00 0.00 N ATOM 689 CA ILE A 61 6.148 -6.091 -2.681 1.00 0.00 C ATOM 690 C ILE A 61 7.256 -6.992 -3.191 1.00 0.00 C ATOM 691 O ILE A 61 8.315 -7.090 -2.605 1.00 0.00 O ATOM 692 CB ILE A 61 5.133 -6.893 -1.892 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.526 -7.948 -2.821 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.051 -5.945 -1.369 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.402 -9.205 -2.790 1.00 0.00 C ATOM 0 H ILE A 61 4.367 -5.606 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 61 6.613 -5.313 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 61 5.602 -7.390 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.511 -8.189 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.460 -7.561 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.315 -6.512 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.507 -5.193 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.560 -5.454 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.976 -9.961 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.408 -8.955 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.445 -9.593 -1.772 1.00 0.00 H new ATOM 707 N ASN A 62 7.031 -7.640 -4.298 1.00 0.00 N ATOM 708 CA ASN A 62 8.089 -8.514 -4.854 1.00 0.00 C ATOM 709 C ASN A 62 9.412 -7.747 -4.920 1.00 0.00 C ATOM 710 O ASN A 62 10.459 -8.335 -5.106 1.00 0.00 O ATOM 711 CB ASN A 62 7.614 -8.889 -6.260 1.00 0.00 C ATOM 712 CG ASN A 62 8.227 -10.230 -6.664 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.943 -10.840 -5.896 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.977 -10.717 -7.848 1.00 0.00 N ATOM 0 H ASN A 62 6.165 -7.601 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 62 8.257 -9.399 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.526 -8.953 -6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.903 -8.116 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.383 -11.610 -8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.376 -10.205 -8.493 1.00 0.00 H new ATOM 721 N ILE A 63 9.396 -6.438 -4.768 1.00 0.00 N ATOM 722 CA ILE A 63 10.688 -5.700 -4.830 1.00 0.00 C ATOM 723 C ILE A 63 11.685 -6.307 -3.845 1.00 0.00 C ATOM 724 O ILE A 63 12.578 -7.043 -4.215 1.00 0.00 O ATOM 725 CB ILE A 63 10.341 -4.252 -4.468 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.997 -3.502 -5.758 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.537 -3.575 -3.783 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.602 -2.886 -5.645 1.00 0.00 C ATOM 0 H ILE A 63 8.565 -5.869 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 63 11.158 -5.755 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 63 9.494 -4.237 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.735 -2.721 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.035 -4.184 -6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.278 -2.547 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.791 -4.119 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.393 -3.578 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.364 -2.354 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.868 -3.675 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.579 -2.189 -4.807 1.00 0.00 H new ATOM 740 N LYS A 64 11.529 -5.999 -2.602 1.00 0.00 N ATOM 741 CA LYS A 64 12.454 -6.548 -1.571 1.00 0.00 C ATOM 742 C LYS A 64 12.117 -8.014 -1.300 1.00 0.00 C ATOM 743 O LYS A 64 12.946 -8.783 -0.857 1.00 0.00 O ATOM 744 CB LYS A 64 12.217 -5.693 -0.324 1.00 0.00 C ATOM 745 CG LYS A 64 13.496 -4.922 0.016 1.00 0.00 C ATOM 746 CD LYS A 64 13.945 -4.110 -1.199 1.00 0.00 C ATOM 747 CE LYS A 64 15.272 -4.661 -1.724 1.00 0.00 C ATOM 748 NZ LYS A 64 16.297 -4.194 -0.746 1.00 0.00 N ATOM 0 H LYS A 64 10.797 -5.386 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 64 13.497 -6.514 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.396 -4.998 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.927 -6.326 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.319 -4.259 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.283 -5.616 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.186 -4.156 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.058 -3.061 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.251 -5.749 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.485 -4.290 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.989 -3.588 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.833 -3.652 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.784 -5.016 -0.335 1.00 0.00 H new ATOM 762 N GLY A 65 10.904 -8.411 -1.576 1.00 0.00 N ATOM 763 CA GLY A 65 10.520 -9.828 -1.345 1.00 0.00 C ATOM 764 C GLY A 65 9.381 -9.904 -0.327 1.00 0.00 C ATOM 765 O GLY A 65 9.132 -10.942 0.254 1.00 0.00 O ATOM 0 H GLY A 65 10.166 -7.815 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.210 -10.287 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.380 -10.392 -0.983 1.00 0.00 H new ATOM 769 N ILE A 66 8.684 -8.823 -0.097 1.00 0.00 N ATOM 770 CA ILE A 66 7.571 -8.871 0.889 1.00 0.00 C ATOM 771 C ILE A 66 6.325 -9.490 0.244 1.00 0.00 C ATOM 772 O ILE A 66 6.408 -10.441 -0.507 1.00 0.00 O ATOM 773 CB ILE A 66 7.281 -7.418 1.311 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.539 -6.537 1.222 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.805 -7.424 2.757 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.379 -5.498 0.106 1.00 0.00 C ATOM 0 H ILE A 66 8.836 -7.919 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 66 7.840 -9.480 1.752 1.00 0.00 H new ATOM 0 HB ILE A 66 6.526 -7.010 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.709 -6.035 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.414 -7.158 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.594 -6.403 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.899 -8.024 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.581 -7.849 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.276 -4.880 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.232 -6.007 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.516 -4.867 0.317 1.00 0.00 H new ATOM 788 N SER A 67 5.177 -8.951 0.546 1.00 0.00 N ATOM 789 CA SER A 67 3.902 -9.472 -0.019 1.00 0.00 C ATOM 790 C SER A 67 2.763 -8.754 0.685 1.00 0.00 C ATOM 791 O SER A 67 2.848 -7.573 0.962 1.00 0.00 O ATOM 792 CB SER A 67 3.884 -10.964 0.316 1.00 0.00 C ATOM 793 OG SER A 67 2.593 -11.488 0.033 1.00 0.00 O ATOM 0 H SER A 67 5.067 -8.155 1.174 1.00 0.00 H new ATOM 0 HA SER A 67 3.806 -9.317 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.640 -11.490 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.130 -11.117 1.367 1.00 0.00 H new ATOM 0 HG SER A 67 2.575 -12.445 0.244 1.00 0.00 H new ATOM 799 N GLU A 68 1.720 -9.445 1.027 1.00 0.00 N ATOM 800 CA GLU A 68 0.627 -8.765 1.762 1.00 0.00 C ATOM 801 C GLU A 68 1.218 -8.169 3.044 1.00 0.00 C ATOM 802 O GLU A 68 0.632 -7.314 3.676 1.00 0.00 O ATOM 803 CB GLU A 68 -0.393 -9.858 2.081 1.00 0.00 C ATOM 804 CG GLU A 68 -1.594 -9.722 1.142 1.00 0.00 C ATOM 805 CD GLU A 68 -2.018 -11.106 0.645 1.00 0.00 C ATOM 806 OE1 GLU A 68 -1.730 -12.074 1.330 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.623 -11.173 -0.412 1.00 0.00 O ATOM 0 H GLU A 68 1.577 -10.436 0.834 1.00 0.00 H new ATOM 0 HA GLU A 68 0.159 -7.959 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.063 -10.841 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.717 -9.777 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.423 -9.242 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.337 -9.084 0.296 1.00 0.00 H new ATOM 814 N ALA A 69 2.388 -8.626 3.426 1.00 0.00 N ATOM 815 CA ALA A 69 3.035 -8.104 4.659 1.00 0.00 C ATOM 816 C ALA A 69 2.890 -6.585 4.753 1.00 0.00 C ATOM 817 O ALA A 69 2.029 -6.070 5.442 1.00 0.00 O ATOM 818 CB ALA A 69 4.506 -8.492 4.512 1.00 0.00 C ATOM 0 H ALA A 69 2.920 -9.341 2.930 1.00 0.00 H new ATOM 0 HA ALA A 69 2.582 -8.511 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.063 -8.145 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.591 -9.576 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.915 -8.032 3.612 1.00 0.00 H new ATOM 824 N LYS A 70 3.716 -5.867 4.056 1.00 0.00 N ATOM 825 CA LYS A 70 3.627 -4.384 4.096 1.00 0.00 C ATOM 826 C LYS A 70 2.500 -3.898 3.181 1.00 0.00 C ATOM 827 O LYS A 70 1.729 -3.031 3.542 1.00 0.00 O ATOM 828 CB LYS A 70 4.991 -3.882 3.608 1.00 0.00 C ATOM 829 CG LYS A 70 5.316 -4.471 2.231 1.00 0.00 C ATOM 830 CD LYS A 70 4.920 -3.475 1.145 1.00 0.00 C ATOM 831 CE LYS A 70 6.150 -2.676 0.727 1.00 0.00 C ATOM 832 NZ LYS A 70 6.386 -3.054 -0.690 1.00 0.00 N ATOM 0 H LYS A 70 4.452 -6.242 3.458 1.00 0.00 H new ATOM 0 HA LYS A 70 3.401 -4.010 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.986 -2.793 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.765 -4.162 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.380 -4.696 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.781 -5.410 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.504 -4.001 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.144 -2.805 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.978 -1.604 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.011 -2.920 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.347 -2.771 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.284 -4.083 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.693 -2.573 -1.298 1.00 0.00 H new ATOM 846 N ALA A 71 2.388 -4.454 2.005 1.00 0.00 N ATOM 847 CA ALA A 71 1.298 -4.015 1.086 1.00 0.00 C ATOM 848 C ALA A 71 -0.049 -4.048 1.813 1.00 0.00 C ATOM 849 O ALA A 71 -0.662 -3.027 2.055 1.00 0.00 O ATOM 850 CB ALA A 71 1.303 -5.027 -0.058 1.00 0.00 C ATOM 0 H ALA A 71 2.998 -5.187 1.643 1.00 0.00 H new ATOM 0 HA ALA A 71 1.450 -2.996 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.525 -4.768 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.274 -5.011 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.114 -6.025 0.338 1.00 0.00 H new ATOM 856 N ASP A 72 -0.515 -5.217 2.160 1.00 0.00 N ATOM 857 CA ASP A 72 -1.824 -5.318 2.868 1.00 0.00 C ATOM 858 C ASP A 72 -1.897 -4.292 3.998 1.00 0.00 C ATOM 859 O ASP A 72 -2.850 -3.546 4.108 1.00 0.00 O ATOM 860 CB ASP A 72 -1.865 -6.738 3.434 1.00 0.00 C ATOM 861 CG ASP A 72 -3.313 -7.121 3.745 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.140 -7.007 2.855 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.571 -7.522 4.868 1.00 0.00 O ATOM 0 H ASP A 72 -0.047 -6.106 1.984 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.665 -5.120 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.438 -7.439 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.259 -6.798 4.338 1.00 0.00 H new ATOM 868 N LYS A 73 -0.904 -4.243 4.845 1.00 0.00 N ATOM 869 CA LYS A 73 -0.943 -3.256 5.960 1.00 0.00 C ATOM 870 C LYS A 73 -1.400 -1.889 5.439 1.00 0.00 C ATOM 871 O LYS A 73 -1.978 -1.102 6.162 1.00 0.00 O ATOM 872 CB LYS A 73 0.492 -3.184 6.485 1.00 0.00 C ATOM 873 CG LYS A 73 0.595 -2.106 7.569 1.00 0.00 C ATOM 874 CD LYS A 73 -0.599 -2.213 8.524 1.00 0.00 C ATOM 875 CE LYS A 73 -0.658 -3.622 9.121 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.402 -3.433 10.575 1.00 0.00 N ATOM 0 H LYS A 73 -0.076 -4.838 4.814 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.643 -3.547 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.789 -4.151 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.177 -2.958 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.527 -2.222 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.618 -1.117 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.508 -1.474 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.524 -1.995 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.630 -4.084 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.090 -4.274 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.426 -4.356 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.533 -2.998 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.133 -2.814 10.979 1.00 0.00 H new ATOM 890 N ILE A 74 -1.149 -1.599 4.191 1.00 0.00 N ATOM 891 CA ILE A 74 -1.576 -0.278 3.639 1.00 0.00 C ATOM 892 C ILE A 74 -3.056 -0.323 3.234 1.00 0.00 C ATOM 893 O ILE A 74 -3.840 0.518 3.628 1.00 0.00 O ATOM 894 CB ILE A 74 -0.647 -0.025 2.434 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.178 1.431 2.461 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.363 -0.299 1.103 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.718 1.654 3.681 1.00 0.00 C ATOM 0 H ILE A 74 -0.670 -2.214 3.533 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.494 0.529 4.367 1.00 0.00 H new ATOM 0 HB ILE A 74 0.202 -0.704 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.368 1.666 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.037 2.101 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.678 -0.110 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.690 -1.338 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.229 0.357 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.053 2.691 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.157 1.436 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.584 0.994 3.622 1.00 0.00 H new ATOM 909 N LEU A 75 -3.444 -1.293 2.454 1.00 0.00 N ATOM 910 CA LEU A 75 -4.872 -1.377 2.038 1.00 0.00 C ATOM 911 C LEU A 75 -5.761 -1.541 3.271 1.00 0.00 C ATOM 912 O LEU A 75 -6.949 -1.294 3.231 1.00 0.00 O ATOM 913 CB LEU A 75 -4.951 -2.613 1.142 1.00 0.00 C ATOM 914 CG LEU A 75 -4.742 -2.200 -0.316 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.380 -3.430 -1.149 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.030 -1.578 -0.857 1.00 0.00 C ATOM 0 H LEU A 75 -2.838 -2.028 2.088 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.211 -0.481 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.193 -3.339 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.920 -3.098 1.258 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.933 -1.472 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.231 -3.135 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.462 -3.874 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.188 -4.159 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.883 -1.283 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.839 -2.306 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.288 -0.701 -0.264 1.00 0.00 H new ATOM 928 N ALA A 76 -5.187 -1.951 4.369 1.00 0.00 N ATOM 929 CA ALA A 76 -5.989 -2.125 5.613 1.00 0.00 C ATOM 930 C ALA A 76 -6.042 -0.805 6.386 1.00 0.00 C ATOM 931 O ALA A 76 -7.086 -0.372 6.829 1.00 0.00 O ATOM 932 CB ALA A 76 -5.249 -3.192 6.416 1.00 0.00 C ATOM 0 H ALA A 76 -4.196 -2.173 4.458 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.019 -2.417 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.779 -3.377 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.200 -4.114 5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.238 -2.847 6.635 1.00 0.00 H new ATOM 938 N GLU A 77 -4.916 -0.161 6.547 1.00 0.00 N ATOM 939 CA GLU A 77 -4.896 1.133 7.285 1.00 0.00 C ATOM 940 C GLU A 77 -5.647 2.198 6.485 1.00 0.00 C ATOM 941 O GLU A 77 -6.296 3.063 7.039 1.00 0.00 O ATOM 942 CB GLU A 77 -3.415 1.497 7.404 1.00 0.00 C ATOM 943 CG GLU A 77 -2.776 0.691 8.536 1.00 0.00 C ATOM 944 CD GLU A 77 -3.380 1.122 9.873 1.00 0.00 C ATOM 945 OE1 GLU A 77 -4.196 2.029 9.867 1.00 0.00 O ATOM 946 OE2 GLU A 77 -3.016 0.539 10.882 1.00 0.00 O ATOM 0 H GLU A 77 -4.010 -0.476 6.199 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.377 1.065 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.903 1.291 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.307 2.564 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.942 -0.374 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.697 0.848 8.545 1.00 0.00 H new ATOM 953 N ALA A 78 -5.567 2.138 5.184 1.00 0.00 N ATOM 954 CA ALA A 78 -6.279 3.141 4.344 1.00 0.00 C ATOM 955 C ALA A 78 -7.762 2.778 4.244 1.00 0.00 C ATOM 956 O ALA A 78 -8.620 3.635 4.189 1.00 0.00 O ATOM 957 CB ALA A 78 -5.612 3.057 2.969 1.00 0.00 C ATOM 0 H ALA A 78 -5.038 1.436 4.666 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.221 4.147 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.084 3.769 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.552 3.293 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.725 2.049 2.571 1.00 0.00 H new ATOM 963 N ALA A 79 -8.067 1.509 4.226 1.00 0.00 N ATOM 964 CA ALA A 79 -9.493 1.087 4.136 1.00 0.00 C ATOM 965 C ALA A 79 -10.214 1.385 5.455 1.00 0.00 C ATOM 966 O ALA A 79 -11.423 1.491 5.502 1.00 0.00 O ATOM 967 CB ALA A 79 -9.445 -0.420 3.881 1.00 0.00 C ATOM 0 H ALA A 79 -7.390 0.747 4.270 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.033 1.616 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.460 -0.808 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.909 -0.615 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.931 -0.913 4.707 1.00 0.00 H new ATOM 973 N LYS A 80 -9.480 1.521 6.525 1.00 0.00 N ATOM 974 CA LYS A 80 -10.129 1.810 7.836 1.00 0.00 C ATOM 975 C LYS A 80 -9.804 3.236 8.289 1.00 0.00 C ATOM 976 O LYS A 80 -10.415 3.762 9.198 1.00 0.00 O ATOM 977 CB LYS A 80 -9.541 0.783 8.807 1.00 0.00 C ATOM 978 CG LYS A 80 -8.095 1.157 9.140 1.00 0.00 C ATOM 979 CD LYS A 80 -7.971 1.426 10.642 1.00 0.00 C ATOM 980 CE LYS A 80 -7.621 0.125 11.368 1.00 0.00 C ATOM 981 NZ LYS A 80 -6.138 0.138 11.486 1.00 0.00 N ATOM 0 H LYS A 80 -8.463 1.445 6.549 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.215 1.740 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.137 0.748 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.577 -0.212 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.423 0.350 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.797 2.041 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.201 2.175 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.907 1.830 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.095 0.080 12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.965 -0.745 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.757 -0.781 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.748 0.891 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.870 0.312 12.476 1.00 0.00 H new ATOM 995 N LEU A 81 -8.848 3.869 7.663 1.00 0.00 N ATOM 996 CA LEU A 81 -8.490 5.261 8.063 1.00 0.00 C ATOM 997 C LEU A 81 -8.641 6.214 6.871 1.00 0.00 C ATOM 998 O LEU A 81 -8.689 7.418 7.029 1.00 0.00 O ATOM 999 CB LEU A 81 -7.030 5.185 8.512 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.819 6.116 9.709 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.615 5.285 10.977 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.581 6.985 9.469 1.00 0.00 C ATOM 0 H LEU A 81 -8.301 3.483 6.894 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.138 5.641 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.774 4.161 8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.370 5.472 7.693 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.696 6.753 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.465 5.950 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.495 4.665 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.740 4.647 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.431 7.648 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.706 6.346 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.724 7.580 8.567 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.722 5.686 5.678 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.877 6.566 4.481 1.00 0.00 C ATOM 1016 C VAL A 82 -10.073 6.106 3.646 1.00 0.00 C ATOM 1017 O VAL A 82 -9.935 5.801 2.479 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.580 6.402 3.688 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.575 7.382 2.512 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.383 6.695 4.594 1.00 0.00 C ATOM 0 H VAL A 82 -8.688 4.686 5.480 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.054 7.606 4.755 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.512 5.380 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.651 7.266 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.426 7.176 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.644 8.403 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.460 6.577 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.451 7.716 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.384 6.000 5.434 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.212 6.071 4.282 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.453 5.640 3.594 1.00 0.00 C ATOM 1032 C PRO A 83 -12.933 6.722 2.621 1.00 0.00 C ATOM 1033 O PRO A 83 -13.870 6.524 1.873 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.448 5.455 4.738 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.947 6.339 5.835 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.449 6.426 5.684 1.00 0.00 C ATOM 0 HA PRO A 83 -12.321 4.737 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.456 5.737 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.491 4.414 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.399 7.329 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.213 5.931 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.083 7.428 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.939 5.740 6.361 1.00 0.00 H new ATOM 1044 N MET A 84 -12.300 7.863 2.627 1.00 0.00 N ATOM 1045 CA MET A 84 -12.724 8.954 1.703 1.00 0.00 C ATOM 1046 C MET A 84 -11.499 9.698 1.164 1.00 0.00 C ATOM 1047 O MET A 84 -10.385 9.471 1.592 1.00 0.00 O ATOM 1048 CB MET A 84 -13.583 9.883 2.559 1.00 0.00 C ATOM 1049 CG MET A 84 -14.979 10.001 1.944 1.00 0.00 C ATOM 1050 SD MET A 84 -15.967 11.170 2.911 1.00 0.00 S ATOM 1051 CE MET A 84 -16.197 12.405 1.609 1.00 0.00 C ATOM 0 H MET A 84 -11.509 8.087 3.230 1.00 0.00 H new ATOM 0 HA MET A 84 -13.269 8.576 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 84 -13.654 9.496 3.575 1.00 0.00 H new ATOM 0 HB3 MET A 84 -13.119 10.867 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 84 -14.905 10.339 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 84 -15.464 9.025 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 84 -16.792 13.233 1.994 1.00 0.00 H new ATOM 0 HE2 MET A 84 -15.225 12.777 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 84 -16.713 11.950 0.763 1.00 0.00 H new ATOM 1061 N GLY A 85 -11.697 10.586 0.229 1.00 0.00 N ATOM 1062 CA GLY A 85 -10.545 11.343 -0.336 1.00 0.00 C ATOM 1063 C GLY A 85 -10.823 12.843 -0.240 1.00 0.00 C ATOM 1064 O GLY A 85 -10.719 13.377 0.852 1.00 0.00 O ATOM 0 H GLY A 85 -12.607 10.820 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.633 11.096 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.384 11.058 -1.376 1.00 0.00 H new TER 1068 GLY A 85