USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 58 ASN : amide:sc= 0.289 K(o=-2.3,f=-1) USER MOD Set 1.2: A 77 SER OG : rot 46:sc= -2.55! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.585 K(o=-0.58,f=0.059) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.218 K(o=-0.22,f=-2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.313 K(o=-0.31,f=-5.2!) USER MOD Single : A 65 MET CE :methyl -115:sc= -2.71 (180deg=-7.72!) USER MOD Single : A 67 HIS : no HE2:sc= 0.292 K(o=0.29,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -2.76 K(o=-2.8,f=-0.57) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.82) USER MOD Single : A 79 SER OG : rot -156:sc= 0.28 USER MOD Single : A 84 GLN : amide:sc=-0.00887 X(o=-0.0089,f=-0.19) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.434 31.264 0.174 1.00 0.00 N ATOM 2 CA GLY A 1 1.632 30.078 -0.075 1.00 0.00 C ATOM 3 C GLY A 1 1.787 29.064 1.059 1.00 0.00 C ATOM 4 O GLY A 1 2.853 28.475 1.230 1.00 0.00 O ATOM 0 H1 GLY A 1 2.312 31.937 -0.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.129 31.709 1.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.436 30.996 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.584 30.358 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.933 29.623 -1.019 1.00 0.00 H new ATOM 8 N SER A 2 0.706 28.890 1.806 1.00 0.00 N ATOM 9 CA SER A 2 0.707 27.957 2.920 1.00 0.00 C ATOM 10 C SER A 2 0.736 26.519 2.398 1.00 0.00 C ATOM 11 O SER A 2 0.249 26.243 1.302 1.00 0.00 O ATOM 12 CB SER A 2 -0.512 28.170 3.819 1.00 0.00 C ATOM 13 OG SER A 2 -0.186 28.906 4.995 1.00 0.00 O ATOM 0 H SER A 2 -0.177 29.380 1.661 1.00 0.00 H new ATOM 0 HA SER A 2 1.601 28.139 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.285 28.700 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.928 27.203 4.100 1.00 0.00 H new ATOM 0 HG SER A 2 -0.991 29.022 5.542 1.00 0.00 H new ATOM 19 N SER A 3 1.312 25.641 3.206 1.00 0.00 N ATOM 20 CA SER A 3 1.411 24.239 2.839 1.00 0.00 C ATOM 21 C SER A 3 0.216 23.466 3.400 1.00 0.00 C ATOM 22 O SER A 3 -0.354 23.851 4.420 1.00 0.00 O ATOM 23 CB SER A 3 2.721 23.629 3.343 1.00 0.00 C ATOM 24 OG SER A 3 2.961 22.341 2.782 1.00 0.00 O ATOM 0 H SER A 3 1.715 25.874 4.114 1.00 0.00 H new ATOM 0 HA SER A 3 1.403 24.169 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.549 24.293 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.690 23.551 4.430 1.00 0.00 H new ATOM 0 HG SER A 3 3.807 21.986 3.127 1.00 0.00 H new ATOM 30 N GLY A 4 -0.129 22.389 2.708 1.00 0.00 N ATOM 31 CA GLY A 4 -1.246 21.559 3.124 1.00 0.00 C ATOM 32 C GLY A 4 -1.014 20.096 2.742 1.00 0.00 C ATOM 33 O GLY A 4 -0.469 19.324 3.529 1.00 0.00 O ATOM 0 H GLY A 4 0.346 22.073 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.382 21.640 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.164 21.919 2.659 1.00 0.00 H new ATOM 37 N SER A 5 -1.439 19.759 1.533 1.00 0.00 N ATOM 38 CA SER A 5 -1.284 18.402 1.037 1.00 0.00 C ATOM 39 C SER A 5 -2.020 17.422 1.953 1.00 0.00 C ATOM 40 O SER A 5 -2.314 17.744 3.103 1.00 0.00 O ATOM 41 CB SER A 5 0.194 18.020 0.929 1.00 0.00 C ATOM 42 OG SER A 5 0.756 18.411 -0.321 1.00 0.00 O ATOM 0 H SER A 5 -1.890 20.402 0.883 1.00 0.00 H new ATOM 0 HA SER A 5 -1.718 18.352 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.750 18.490 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.300 16.942 1.053 1.00 0.00 H new ATOM 0 HG SER A 5 1.701 18.151 -0.351 1.00 0.00 H new ATOM 48 N SER A 6 -2.295 16.246 1.410 1.00 0.00 N ATOM 49 CA SER A 6 -2.991 15.217 2.164 1.00 0.00 C ATOM 50 C SER A 6 -2.569 13.831 1.671 1.00 0.00 C ATOM 51 O SER A 6 -2.364 13.630 0.475 1.00 0.00 O ATOM 52 CB SER A 6 -4.508 15.382 2.051 1.00 0.00 C ATOM 53 OG SER A 6 -5.092 15.804 3.280 1.00 0.00 O ATOM 0 H SER A 6 -2.048 15.982 0.456 1.00 0.00 H new ATOM 0 HA SER A 6 -2.719 15.320 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.736 16.110 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.954 14.436 1.744 1.00 0.00 H new ATOM 0 HG SER A 6 -6.061 15.899 3.166 1.00 0.00 H new ATOM 59 N GLY A 7 -2.453 12.912 2.618 1.00 0.00 N ATOM 60 CA GLY A 7 -2.059 11.551 2.295 1.00 0.00 C ATOM 61 C GLY A 7 -1.315 10.903 3.465 1.00 0.00 C ATOM 62 O GLY A 7 -0.365 11.477 3.995 1.00 0.00 O ATOM 0 H GLY A 7 -2.625 13.083 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.942 10.961 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.422 11.553 1.411 1.00 0.00 H new ATOM 66 N LEU A 8 -1.776 9.717 3.833 1.00 0.00 N ATOM 67 CA LEU A 8 -1.166 8.985 4.930 1.00 0.00 C ATOM 68 C LEU A 8 -0.300 7.856 4.365 1.00 0.00 C ATOM 69 O LEU A 8 -0.508 7.416 3.236 1.00 0.00 O ATOM 70 CB LEU A 8 -2.235 8.506 5.914 1.00 0.00 C ATOM 71 CG LEU A 8 -2.136 7.044 6.353 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.826 6.828 7.702 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.683 6.109 5.273 1.00 0.00 C ATOM 0 H LEU A 8 -2.565 9.245 3.391 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.507 9.637 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.190 9.135 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.214 8.663 5.461 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.083 6.799 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.741 5.780 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.350 7.453 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.879 7.097 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.601 5.076 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.730 6.346 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.109 6.238 4.355 1.00 0.00 H new ATOM 85 N THR A 9 0.651 7.421 5.178 1.00 0.00 N ATOM 86 CA THR A 9 1.549 6.352 4.774 1.00 0.00 C ATOM 87 C THR A 9 1.342 5.119 5.656 1.00 0.00 C ATOM 88 O THR A 9 0.785 5.219 6.748 1.00 0.00 O ATOM 89 CB THR A 9 2.979 6.895 4.815 1.00 0.00 C ATOM 90 OG1 THR A 9 2.943 8.033 3.958 1.00 0.00 O ATOM 91 CG2 THR A 9 3.982 5.954 4.144 1.00 0.00 C ATOM 0 H THR A 9 0.820 7.789 6.114 1.00 0.00 H new ATOM 0 HA THR A 9 1.339 6.023 3.756 1.00 0.00 H new ATOM 0 HB THR A 9 3.275 7.061 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.830 8.448 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.981 6.387 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.974 4.991 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.706 5.814 3.099 1.00 0.00 H new ATOM 99 N VAL A 10 1.801 3.985 5.149 1.00 0.00 N ATOM 100 CA VAL A 10 1.673 2.734 5.876 1.00 0.00 C ATOM 101 C VAL A 10 3.048 2.074 5.994 1.00 0.00 C ATOM 102 O VAL A 10 3.933 2.325 5.177 1.00 0.00 O ATOM 103 CB VAL A 10 0.635 1.837 5.197 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.345 0.597 6.044 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.650 2.613 4.901 1.00 0.00 C ATOM 0 H VAL A 10 2.262 3.906 4.243 1.00 0.00 H new ATOM 0 HA VAL A 10 1.312 2.916 6.888 1.00 0.00 H new ATOM 0 HB VAL A 10 1.051 1.503 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.396 -0.023 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.264 0.027 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.040 0.903 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.371 1.953 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.070 2.990 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.425 3.450 4.240 1.00 0.00 H new ATOM 115 N ASP A 11 3.185 1.242 7.016 1.00 0.00 N ATOM 116 CA ASP A 11 4.437 0.544 7.251 1.00 0.00 C ATOM 117 C ASP A 11 4.154 -0.944 7.467 1.00 0.00 C ATOM 118 O ASP A 11 3.858 -1.367 8.583 1.00 0.00 O ATOM 119 CB ASP A 11 5.139 1.078 8.501 1.00 0.00 C ATOM 120 CG ASP A 11 4.208 1.651 9.571 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.452 0.845 10.156 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.273 2.881 9.780 1.00 0.00 O ATOM 0 H ASP A 11 2.449 1.036 7.691 1.00 0.00 H new ATOM 0 HA ASP A 11 5.078 0.700 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.723 0.271 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.843 1.854 8.200 1.00 0.00 H new ATOM 127 N VAL A 12 4.255 -1.697 6.381 1.00 0.00 N ATOM 128 CA VAL A 12 4.014 -3.128 6.438 1.00 0.00 C ATOM 129 C VAL A 12 5.307 -3.844 6.837 1.00 0.00 C ATOM 130 O VAL A 12 6.399 -3.400 6.487 1.00 0.00 O ATOM 131 CB VAL A 12 3.448 -3.617 5.104 1.00 0.00 C ATOM 132 CG1 VAL A 12 3.104 -5.107 5.166 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.229 -2.790 4.690 1.00 0.00 C ATOM 0 H VAL A 12 4.501 -1.342 5.457 1.00 0.00 H new ATOM 0 HA VAL A 12 3.267 -3.359 7.197 1.00 0.00 H new ATOM 0 HB VAL A 12 4.218 -3.483 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.704 -5.428 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.003 -5.679 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.360 -5.276 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.846 -3.158 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.454 -2.878 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.518 -1.744 4.585 1.00 0.00 H new ATOM 143 N ALA A 13 5.139 -4.939 7.563 1.00 0.00 N ATOM 144 CA ALA A 13 6.279 -5.720 8.013 1.00 0.00 C ATOM 145 C ALA A 13 6.237 -7.101 7.355 1.00 0.00 C ATOM 146 O ALA A 13 5.384 -7.924 7.683 1.00 0.00 O ATOM 147 CB ALA A 13 6.270 -5.802 9.541 1.00 0.00 C ATOM 0 H ALA A 13 4.231 -5.304 7.851 1.00 0.00 H new ATOM 0 HA ALA A 13 7.213 -5.242 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.125 -6.388 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.330 -4.797 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.349 -6.279 9.874 1.00 0.00 H new ATOM 153 N GLY A 14 7.169 -7.311 6.437 1.00 0.00 N ATOM 154 CA GLY A 14 7.250 -8.578 5.730 1.00 0.00 C ATOM 155 C GLY A 14 7.462 -9.738 6.704 1.00 0.00 C ATOM 156 O GLY A 14 7.313 -9.572 7.914 1.00 0.00 O ATOM 0 H GLY A 14 7.874 -6.625 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.335 -8.740 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.070 -8.546 5.013 1.00 0.00 H new ATOM 160 N PRO A 15 7.816 -10.917 6.127 1.00 0.00 N ATOM 161 CA PRO A 15 7.971 -11.028 4.686 1.00 0.00 C ATOM 162 C PRO A 15 6.610 -11.055 3.988 1.00 0.00 C ATOM 163 O PRO A 15 5.593 -10.710 4.590 1.00 0.00 O ATOM 164 CB PRO A 15 8.773 -12.302 4.473 1.00 0.00 C ATOM 165 CG PRO A 15 8.638 -13.099 5.760 1.00 0.00 C ATOM 166 CD PRO A 15 8.077 -12.172 6.826 1.00 0.00 C ATOM 0 HA PRO A 15 8.486 -10.171 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.391 -12.866 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.818 -12.075 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.978 -13.954 5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.606 -13.493 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.165 -12.578 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.787 -12.031 7.641 1.00 0.00 H new ATOM 174 N ALA A 16 6.633 -11.467 2.730 1.00 0.00 N ATOM 175 CA ALA A 16 5.414 -11.543 1.944 1.00 0.00 C ATOM 176 C ALA A 16 4.795 -12.933 2.104 1.00 0.00 C ATOM 177 O ALA A 16 5.454 -13.860 2.571 1.00 0.00 O ATOM 178 CB ALA A 16 5.725 -11.209 0.484 1.00 0.00 C ATOM 0 H ALA A 16 7.478 -11.752 2.235 1.00 0.00 H new ATOM 0 HA ALA A 16 4.685 -10.814 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.810 -11.266 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.135 -10.201 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.452 -11.921 0.095 1.00 0.00 H new ATOM 184 N PRO A 17 3.501 -13.037 1.698 1.00 0.00 N ATOM 185 CA PRO A 17 2.792 -11.890 1.157 1.00 0.00 C ATOM 186 C PRO A 17 2.401 -10.913 2.267 1.00 0.00 C ATOM 187 O PRO A 17 2.660 -11.167 3.442 1.00 0.00 O ATOM 188 CB PRO A 17 1.592 -12.475 0.431 1.00 0.00 C ATOM 189 CG PRO A 17 1.417 -13.881 0.982 1.00 0.00 C ATOM 190 CD PRO A 17 2.681 -14.244 1.743 1.00 0.00 C ATOM 0 HA PRO A 17 3.405 -11.301 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.699 -11.874 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.759 -12.495 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.549 -13.928 1.639 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.242 -14.589 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.456 -14.532 2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.193 -15.088 1.281 1.00 0.00 H new ATOM 198 N TRP A 18 1.785 -9.814 1.855 1.00 0.00 N ATOM 199 CA TRP A 18 1.356 -8.798 2.801 1.00 0.00 C ATOM 200 C TRP A 18 -0.030 -9.189 3.319 1.00 0.00 C ATOM 201 O TRP A 18 -0.258 -9.222 4.528 1.00 0.00 O ATOM 202 CB TRP A 18 1.384 -7.408 2.162 1.00 0.00 C ATOM 203 CG TRP A 18 2.635 -7.133 1.325 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.724 -6.998 -0.005 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.980 -6.965 1.819 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.023 -6.756 -0.403 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.811 -6.735 0.741 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.479 -7.006 3.133 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.190 -6.528 0.867 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.859 -6.797 3.242 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.709 -6.565 2.167 1.00 0.00 C ATOM 0 H TRP A 18 1.573 -9.605 0.879 1.00 0.00 H new ATOM 0 HA TRP A 18 2.042 -8.744 3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.504 -7.292 1.530 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.313 -6.656 2.948 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.885 -7.070 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.345 -6.618 -1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.847 -7.185 3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.820 -6.349 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.294 -6.817 4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.765 -6.414 2.334 1.00 0.00 H new ATOM 222 N GLY A 19 -0.919 -9.476 2.380 1.00 0.00 N ATOM 223 CA GLY A 19 -2.275 -9.864 2.727 1.00 0.00 C ATOM 224 C GLY A 19 -3.281 -8.805 2.273 1.00 0.00 C ATOM 225 O GLY A 19 -4.311 -8.605 2.916 1.00 0.00 O ATOM 0 H GLY A 19 -0.727 -9.448 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.514 -10.821 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.352 -10.006 3.805 1.00 0.00 H new ATOM 229 N PHE A 20 -2.949 -8.153 1.169 1.00 0.00 N ATOM 230 CA PHE A 20 -3.810 -7.119 0.621 1.00 0.00 C ATOM 231 C PHE A 20 -3.776 -7.130 -0.908 1.00 0.00 C ATOM 232 O PHE A 20 -2.769 -7.504 -1.508 1.00 0.00 O ATOM 233 CB PHE A 20 -3.272 -5.777 1.122 1.00 0.00 C ATOM 234 CG PHE A 20 -1.993 -5.318 0.420 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.053 -4.821 -0.845 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.797 -5.406 1.060 1.00 0.00 C ATOM 237 CE1 PHE A 20 -0.866 -4.395 -1.497 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.391 -4.980 0.408 1.00 0.00 C ATOM 239 CZ PHE A 20 0.331 -4.483 -0.857 1.00 0.00 C ATOM 0 H PHE A 20 -2.094 -8.321 0.638 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.840 -7.288 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.041 -5.016 0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.080 -5.851 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.003 -4.751 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.750 -5.800 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.913 -4.001 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.341 -5.051 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.234 -4.158 -1.353 1.00 0.00 H new ATOM 249 N ARG A 21 -4.888 -6.714 -1.496 1.00 0.00 N ATOM 250 CA ARG A 21 -4.998 -6.671 -2.945 1.00 0.00 C ATOM 251 C ARG A 21 -5.112 -5.223 -3.425 1.00 0.00 C ATOM 252 O ARG A 21 -5.053 -4.292 -2.623 1.00 0.00 O ATOM 253 CB ARG A 21 -6.216 -7.459 -3.428 1.00 0.00 C ATOM 254 CG ARG A 21 -5.950 -8.965 -3.377 1.00 0.00 C ATOM 255 CD ARG A 21 -6.672 -9.689 -4.516 1.00 0.00 C ATOM 256 NE ARG A 21 -5.727 -10.570 -5.236 1.00 0.00 N ATOM 257 CZ ARG A 21 -5.991 -11.153 -6.413 1.00 0.00 C ATOM 258 NH1 ARG A 21 -7.174 -10.952 -7.010 1.00 0.00 N ATOM 259 NH2 ARG A 21 -5.073 -11.938 -6.993 1.00 0.00 N ATOM 0 H ARG A 21 -5.721 -6.404 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.098 -7.125 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.079 -7.217 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.463 -7.164 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.878 -9.151 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.283 -9.364 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.499 -10.277 -4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.101 -8.962 -5.205 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.817 -10.745 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.873 -10.355 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.375 -11.396 -7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.173 -12.092 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.274 -12.382 -7.889 1.00 0.00 H new ATOM 273 N ILE A 22 -5.275 -5.078 -4.732 1.00 0.00 N ATOM 274 CA ILE A 22 -5.399 -3.759 -5.329 1.00 0.00 C ATOM 275 C ILE A 22 -6.380 -3.824 -6.502 1.00 0.00 C ATOM 276 O ILE A 22 -6.779 -4.910 -6.922 1.00 0.00 O ATOM 277 CB ILE A 22 -4.021 -3.212 -5.710 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.277 -4.187 -6.625 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.207 -2.861 -4.463 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.115 -3.493 -7.336 1.00 0.00 C ATOM 0 H ILE A 22 -5.324 -5.852 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.810 -3.052 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.163 -2.289 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.901 -5.026 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.967 -4.597 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.232 -2.475 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.736 -2.104 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.072 -3.754 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.603 -4.208 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.497 -2.670 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.415 -3.105 -6.596 1.00 0.00 H new ATOM 292 N SER A 23 -6.740 -2.650 -6.997 1.00 0.00 N ATOM 293 CA SER A 23 -7.666 -2.560 -8.112 1.00 0.00 C ATOM 294 C SER A 23 -7.241 -1.433 -9.056 1.00 0.00 C ATOM 295 O SER A 23 -6.223 -0.781 -8.831 1.00 0.00 O ATOM 296 CB SER A 23 -9.097 -2.330 -7.622 1.00 0.00 C ATOM 297 OG SER A 23 -10.033 -3.170 -8.294 1.00 0.00 O ATOM 0 H SER A 23 -6.407 -1.752 -6.646 1.00 0.00 H new ATOM 0 HA SER A 23 -7.643 -3.506 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.147 -2.517 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.370 -1.286 -7.777 1.00 0.00 H new ATOM 0 HG SER A 23 -10.934 -2.994 -7.952 1.00 0.00 H new ATOM 303 N GLY A 24 -8.043 -1.239 -10.093 1.00 0.00 N ATOM 304 CA GLY A 24 -7.763 -0.203 -11.072 1.00 0.00 C ATOM 305 C GLY A 24 -6.314 -0.285 -11.558 1.00 0.00 C ATOM 306 O GLY A 24 -5.824 -1.365 -11.882 1.00 0.00 O ATOM 0 H GLY A 24 -8.887 -1.782 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.441 -0.306 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.948 0.777 -10.633 1.00 0.00 H new ATOM 310 N GLY A 25 -5.669 0.872 -11.592 1.00 0.00 N ATOM 311 CA GLY A 25 -4.286 0.945 -12.033 1.00 0.00 C ATOM 312 C GLY A 25 -4.162 1.770 -13.315 1.00 0.00 C ATOM 313 O GLY A 25 -5.121 1.888 -14.077 1.00 0.00 O ATOM 0 H GLY A 25 -6.078 1.766 -11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.674 1.391 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.902 -0.060 -12.205 1.00 0.00 H new ATOM 317 N ARG A 26 -2.973 2.320 -13.515 1.00 0.00 N ATOM 318 CA ARG A 26 -2.711 3.131 -14.692 1.00 0.00 C ATOM 319 C ARG A 26 -3.246 2.435 -15.945 1.00 0.00 C ATOM 320 O ARG A 26 -3.691 3.094 -16.883 1.00 0.00 O ATOM 321 CB ARG A 26 -1.213 3.389 -14.860 1.00 0.00 C ATOM 322 CG ARG A 26 -0.932 4.172 -16.144 1.00 0.00 C ATOM 323 CD ARG A 26 -1.257 5.656 -15.964 1.00 0.00 C ATOM 324 NE ARG A 26 -1.785 6.216 -17.228 1.00 0.00 N ATOM 325 CZ ARG A 26 -1.058 6.369 -18.343 1.00 0.00 C ATOM 326 NH1 ARG A 26 0.231 6.005 -18.358 1.00 0.00 N ATOM 327 NH2 ARG A 26 -1.621 6.886 -19.444 1.00 0.00 N ATOM 0 H ARG A 26 -2.180 2.220 -12.881 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.219 4.086 -14.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.838 3.945 -14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.677 2.440 -14.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.116 4.057 -16.422 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.526 3.763 -16.961 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.990 5.782 -15.167 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.361 6.199 -15.662 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.763 6.503 -17.252 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.659 5.611 -17.520 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.784 6.122 -19.207 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.603 7.163 -19.433 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.068 7.003 -20.293 1.00 0.00 H new ATOM 341 N ASP A 27 -3.184 1.111 -15.920 1.00 0.00 N ATOM 342 CA ASP A 27 -3.656 0.319 -17.043 1.00 0.00 C ATOM 343 C ASP A 27 -5.124 0.653 -17.316 1.00 0.00 C ATOM 344 O ASP A 27 -5.504 0.906 -18.458 1.00 0.00 O ATOM 345 CB ASP A 27 -3.561 -1.178 -16.739 1.00 0.00 C ATOM 346 CG ASP A 27 -2.971 -2.030 -17.865 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.226 -1.677 -19.037 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.279 -3.015 -17.528 1.00 0.00 O ATOM 0 H ASP A 27 -2.814 0.568 -15.140 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.033 0.553 -17.906 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.953 -1.314 -15.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.559 -1.550 -16.506 1.00 0.00 H new ATOM 353 N PHE A 28 -5.909 0.644 -16.249 1.00 0.00 N ATOM 354 CA PHE A 28 -7.326 0.943 -16.359 1.00 0.00 C ATOM 355 C PHE A 28 -7.582 2.445 -16.221 1.00 0.00 C ATOM 356 O PHE A 28 -8.724 2.872 -16.063 1.00 0.00 O ATOM 357 CB PHE A 28 -8.029 0.211 -15.215 1.00 0.00 C ATOM 358 CG PHE A 28 -7.989 -1.314 -15.335 1.00 0.00 C ATOM 359 CD1 PHE A 28 -8.890 -1.957 -16.125 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.054 -2.026 -14.651 1.00 0.00 C ATOM 361 CE1 PHE A 28 -8.854 -3.372 -16.236 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.017 -3.441 -14.763 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.918 -4.085 -15.553 1.00 0.00 C ATOM 0 H PHE A 28 -5.590 0.434 -15.303 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.698 0.626 -17.333 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.567 0.503 -14.272 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.069 0.535 -15.175 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.633 -1.391 -16.668 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.339 -1.515 -14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.570 -3.883 -16.863 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.273 -4.006 -14.221 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.890 -5.161 -15.638 1.00 0.00 H new ATOM 373 N HIS A 29 -6.499 3.206 -16.284 1.00 0.00 N ATOM 374 CA HIS A 29 -6.591 4.651 -16.168 1.00 0.00 C ATOM 375 C HIS A 29 -7.244 5.018 -14.834 1.00 0.00 C ATOM 376 O HIS A 29 -7.970 6.007 -14.745 1.00 0.00 O ATOM 377 CB HIS A 29 -7.325 5.247 -17.371 1.00 0.00 C ATOM 378 CG HIS A 29 -6.584 5.098 -18.678 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.506 6.113 -19.616 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.890 4.044 -19.193 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.795 5.678 -20.645 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.414 4.395 -20.382 1.00 0.00 N ATOM 0 H HIS A 29 -5.553 2.848 -16.414 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.591 5.084 -16.175 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.300 4.769 -17.462 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.505 6.306 -17.186 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.751 3.086 -18.715 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.558 6.240 -21.536 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.856 3.803 -20.997 1.00 0.00 H new ATOM 390 N THR A 30 -6.961 4.201 -13.829 1.00 0.00 N ATOM 391 CA THR A 30 -7.512 4.427 -12.504 1.00 0.00 C ATOM 392 C THR A 30 -6.416 4.305 -11.443 1.00 0.00 C ATOM 393 O THR A 30 -5.374 3.699 -11.689 1.00 0.00 O ATOM 394 CB THR A 30 -8.668 3.447 -12.298 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.270 2.285 -13.021 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.951 3.900 -12.998 1.00 0.00 C ATOM 0 H THR A 30 -6.358 3.382 -13.906 1.00 0.00 H new ATOM 0 HA THR A 30 -7.904 5.439 -12.407 1.00 0.00 H new ATOM 0 HB THR A 30 -8.859 3.329 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.962 1.596 -12.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.740 3.169 -12.820 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.258 4.869 -12.604 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.770 3.985 -14.070 1.00 0.00 H new ATOM 404 N PRO A 31 -6.695 4.906 -10.256 1.00 0.00 N ATOM 405 CA PRO A 31 -5.746 4.871 -9.157 1.00 0.00 C ATOM 406 C PRO A 31 -5.726 3.492 -8.494 1.00 0.00 C ATOM 407 O PRO A 31 -6.739 2.795 -8.473 1.00 0.00 O ATOM 408 CB PRO A 31 -6.192 5.977 -8.215 1.00 0.00 C ATOM 409 CG PRO A 31 -7.635 6.281 -8.584 1.00 0.00 C ATOM 410 CD PRO A 31 -7.919 5.633 -9.929 1.00 0.00 C ATOM 0 HA PRO A 31 -4.719 5.035 -9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.113 5.660 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.565 6.862 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.313 5.894 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.797 7.358 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.775 4.961 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.150 6.381 -10.688 1.00 0.00 H new ATOM 418 N ILE A 32 -4.562 3.140 -7.968 1.00 0.00 N ATOM 419 CA ILE A 32 -4.397 1.857 -7.306 1.00 0.00 C ATOM 420 C ILE A 32 -5.084 1.901 -5.940 1.00 0.00 C ATOM 421 O ILE A 32 -4.621 2.587 -5.030 1.00 0.00 O ATOM 422 CB ILE A 32 -2.917 1.476 -7.238 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.323 1.331 -8.640 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.714 0.214 -6.396 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.411 -0.116 -9.127 1.00 0.00 C ATOM 0 H ILE A 32 -3.724 3.721 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.880 1.067 -7.881 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.379 2.284 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.854 1.984 -9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.282 1.653 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.653 -0.035 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.076 0.390 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.268 -0.613 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.982 -0.190 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.859 -0.763 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.455 -0.427 -9.157 1.00 0.00 H new ATOM 437 N ILE A 33 -6.178 1.161 -5.839 1.00 0.00 N ATOM 438 CA ILE A 33 -6.934 1.107 -4.599 1.00 0.00 C ATOM 439 C ILE A 33 -6.942 -0.330 -4.074 1.00 0.00 C ATOM 440 O ILE A 33 -7.009 -1.279 -4.854 1.00 0.00 O ATOM 441 CB ILE A 33 -8.331 1.697 -4.797 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.254 3.186 -5.140 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.215 1.436 -3.576 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.097 3.508 -6.376 1.00 0.00 C ATOM 0 H ILE A 33 -6.559 0.593 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.458 1.723 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.796 1.194 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.603 3.777 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.217 3.468 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.203 1.866 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.309 0.362 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.764 1.894 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.025 4.573 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.730 2.934 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.138 3.247 -6.185 1.00 0.00 H new ATOM 456 N VAL A 34 -6.872 -0.446 -2.756 1.00 0.00 N ATOM 457 CA VAL A 34 -6.871 -1.751 -2.118 1.00 0.00 C ATOM 458 C VAL A 34 -8.286 -2.331 -2.149 1.00 0.00 C ATOM 459 O VAL A 34 -9.259 -1.616 -1.909 1.00 0.00 O ATOM 460 CB VAL A 34 -6.301 -1.641 -0.702 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.261 -3.009 -0.019 1.00 0.00 C ATOM 462 CG2 VAL A 34 -4.914 -0.995 -0.718 1.00 0.00 C ATOM 0 H VAL A 34 -6.816 0.343 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.225 -2.441 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.964 -0.997 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.852 -2.902 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.271 -3.415 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.632 -3.686 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.532 -0.929 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.237 -1.601 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.983 0.005 -1.145 1.00 0.00 H new ATOM 472 N THR A 35 -8.357 -3.620 -2.446 1.00 0.00 N ATOM 473 CA THR A 35 -9.638 -4.304 -2.511 1.00 0.00 C ATOM 474 C THR A 35 -9.836 -5.184 -1.276 1.00 0.00 C ATOM 475 O THR A 35 -10.891 -5.146 -0.645 1.00 0.00 O ATOM 476 CB THR A 35 -9.691 -5.082 -3.827 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.356 -5.546 -4.011 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.940 -4.176 -5.034 1.00 0.00 C ATOM 0 H THR A 35 -7.548 -4.209 -2.644 1.00 0.00 H new ATOM 0 HA THR A 35 -10.466 -3.595 -2.502 1.00 0.00 H new ATOM 0 HB THR A 35 -10.477 -5.835 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.301 -6.063 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.968 -4.779 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.892 -3.660 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.137 -3.443 -5.110 1.00 0.00 H new ATOM 486 N LYS A 36 -8.804 -5.956 -0.967 1.00 0.00 N ATOM 487 CA LYS A 36 -8.852 -6.844 0.182 1.00 0.00 C ATOM 488 C LYS A 36 -7.703 -6.503 1.133 1.00 0.00 C ATOM 489 O LYS A 36 -6.630 -6.092 0.693 1.00 0.00 O ATOM 490 CB LYS A 36 -8.862 -8.306 -0.271 1.00 0.00 C ATOM 491 CG LYS A 36 -9.949 -9.099 0.458 1.00 0.00 C ATOM 492 CD LYS A 36 -9.363 -9.869 1.643 1.00 0.00 C ATOM 493 CE LYS A 36 -10.280 -11.023 2.053 1.00 0.00 C ATOM 494 NZ LYS A 36 -10.425 -11.073 3.525 1.00 0.00 N ATOM 0 H LYS A 36 -7.930 -5.985 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.779 -6.700 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.030 -8.356 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.888 -8.756 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.726 -8.420 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.423 -9.795 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.379 -10.257 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.223 -9.194 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.259 -10.900 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.872 -11.966 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.050 -11.862 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.491 -11.213 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.835 -10.179 3.864 1.00 0.00 H new ATOM 508 N VAL A 37 -7.967 -6.687 2.418 1.00 0.00 N ATOM 509 CA VAL A 37 -6.969 -6.403 3.435 1.00 0.00 C ATOM 510 C VAL A 37 -7.087 -7.433 4.561 1.00 0.00 C ATOM 511 O VAL A 37 -8.066 -7.433 5.305 1.00 0.00 O ATOM 512 CB VAL A 37 -7.116 -4.961 3.925 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.119 -4.659 5.046 1.00 0.00 C ATOM 514 CG2 VAL A 37 -6.958 -3.971 2.770 1.00 0.00 C ATOM 0 H VAL A 37 -8.858 -7.029 2.778 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.965 -6.489 3.019 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.121 -4.845 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.244 -3.628 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.298 -5.333 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.103 -4.801 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.067 -2.954 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.971 -4.089 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.723 -4.164 2.018 1.00 0.00 H new ATOM 524 N THR A 38 -6.076 -8.284 4.649 1.00 0.00 N ATOM 525 CA THR A 38 -6.055 -9.317 5.672 1.00 0.00 C ATOM 526 C THR A 38 -6.228 -8.696 7.059 1.00 0.00 C ATOM 527 O THR A 38 -5.508 -7.768 7.423 1.00 0.00 O ATOM 528 CB THR A 38 -4.754 -10.107 5.518 1.00 0.00 C ATOM 529 OG1 THR A 38 -4.920 -10.814 4.292 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.612 -11.211 6.568 1.00 0.00 C ATOM 0 H THR A 38 -5.266 -8.280 4.030 1.00 0.00 H new ATOM 0 HA THR A 38 -6.889 -10.009 5.554 1.00 0.00 H new ATOM 0 HB THR A 38 -3.906 -9.426 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.827 -10.192 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.672 -11.741 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.620 -10.769 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.443 -11.911 6.475 1.00 0.00 H new ATOM 538 N GLU A 39 -7.189 -9.235 7.797 1.00 0.00 N ATOM 539 CA GLU A 39 -7.466 -8.746 9.137 1.00 0.00 C ATOM 540 C GLU A 39 -6.373 -9.202 10.105 1.00 0.00 C ATOM 541 O GLU A 39 -5.880 -10.324 10.006 1.00 0.00 O ATOM 542 CB GLU A 39 -8.846 -9.204 9.612 1.00 0.00 C ATOM 543 CG GLU A 39 -9.025 -8.942 11.109 1.00 0.00 C ATOM 544 CD GLU A 39 -10.347 -9.525 11.614 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.379 -8.849 11.412 1.00 0.00 O ATOM 546 OE2 GLU A 39 -10.295 -10.633 12.190 1.00 0.00 O ATOM 0 H GLU A 39 -7.785 -10.005 7.492 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.470 -7.656 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.620 -8.679 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.971 -10.267 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.195 -9.383 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.000 -7.869 11.299 1.00 0.00 H new ATOM 553 N ARG A 40 -6.027 -8.308 11.020 1.00 0.00 N ATOM 554 CA ARG A 40 -5.001 -8.604 12.006 1.00 0.00 C ATOM 555 C ARG A 40 -3.819 -9.316 11.344 1.00 0.00 C ATOM 556 O ARG A 40 -3.186 -10.175 11.956 1.00 0.00 O ATOM 557 CB ARG A 40 -5.554 -9.485 13.128 1.00 0.00 C ATOM 558 CG ARG A 40 -6.583 -8.723 13.966 1.00 0.00 C ATOM 559 CD ARG A 40 -5.939 -8.138 15.225 1.00 0.00 C ATOM 560 NE ARG A 40 -5.810 -6.670 15.092 1.00 0.00 N ATOM 561 CZ ARG A 40 -4.931 -5.928 15.779 1.00 0.00 C ATOM 562 NH1 ARG A 40 -4.098 -6.512 16.651 1.00 0.00 N ATOM 563 NH2 ARG A 40 -4.885 -4.601 15.594 1.00 0.00 N ATOM 0 H ARG A 40 -6.439 -7.378 11.099 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.668 -7.658 12.433 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.015 -10.376 12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.738 -9.822 13.766 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.020 -7.921 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.396 -9.392 14.246 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.544 -8.381 16.099 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.957 -8.585 15.383 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.429 -6.193 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.133 -7.522 16.792 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.429 -5.947 17.174 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.519 -4.156 14.930 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.216 -4.036 16.117 1.00 0.00 H new ATOM 577 N GLY A 41 -3.558 -8.932 10.103 1.00 0.00 N ATOM 578 CA GLY A 41 -2.463 -9.522 9.352 1.00 0.00 C ATOM 579 C GLY A 41 -1.250 -8.590 9.326 1.00 0.00 C ATOM 580 O GLY A 41 -0.913 -7.976 10.337 1.00 0.00 O ATOM 0 H GLY A 41 -4.086 -8.220 9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.183 -10.476 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.788 -9.731 8.333 1.00 0.00 H new ATOM 584 N LYS A 42 -0.629 -8.513 8.158 1.00 0.00 N ATOM 585 CA LYS A 42 0.539 -7.666 7.987 1.00 0.00 C ATOM 586 C LYS A 42 0.088 -6.251 7.617 1.00 0.00 C ATOM 587 O LYS A 42 0.467 -5.283 8.274 1.00 0.00 O ATOM 588 CB LYS A 42 1.508 -8.286 6.978 1.00 0.00 C ATOM 589 CG LYS A 42 1.828 -9.736 7.346 1.00 0.00 C ATOM 590 CD LYS A 42 3.311 -9.903 7.682 1.00 0.00 C ATOM 591 CE LYS A 42 3.702 -11.381 7.723 1.00 0.00 C ATOM 592 NZ LYS A 42 3.432 -11.952 9.062 1.00 0.00 N ATOM 0 H LYS A 42 -0.913 -9.023 7.321 1.00 0.00 H new ATOM 0 HA LYS A 42 1.094 -7.590 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.073 -8.248 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.429 -7.703 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.222 -10.040 8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.563 -10.392 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.916 -9.384 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.523 -9.440 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.143 -11.932 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.759 -11.490 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.703 -12.956 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.984 -11.437 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.419 -11.865 9.279 1.00 0.00 H new ATOM 606 N ALA A 43 -0.715 -6.177 6.565 1.00 0.00 N ATOM 607 CA ALA A 43 -1.222 -4.898 6.100 1.00 0.00 C ATOM 608 C ALA A 43 -1.967 -4.203 7.242 1.00 0.00 C ATOM 609 O ALA A 43 -1.492 -3.204 7.780 1.00 0.00 O ATOM 610 CB ALA A 43 -2.109 -5.116 4.873 1.00 0.00 C ATOM 0 H ALA A 43 -1.027 -6.982 6.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.401 -4.247 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.490 -4.156 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.525 -5.585 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.945 -5.763 5.139 1.00 0.00 H new ATOM 616 N GLU A 44 -3.121 -4.759 7.578 1.00 0.00 N ATOM 617 CA GLU A 44 -3.936 -4.206 8.646 1.00 0.00 C ATOM 618 C GLU A 44 -3.058 -3.822 9.839 1.00 0.00 C ATOM 619 O GLU A 44 -3.181 -2.723 10.376 1.00 0.00 O ATOM 620 CB GLU A 44 -5.032 -5.188 9.064 1.00 0.00 C ATOM 621 CG GLU A 44 -6.108 -4.487 9.896 1.00 0.00 C ATOM 622 CD GLU A 44 -5.876 -4.709 11.392 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.995 -4.010 11.939 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.584 -5.572 11.954 1.00 0.00 O ATOM 0 H GLU A 44 -3.512 -5.588 7.129 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.424 -3.305 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.485 -5.632 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.595 -6.003 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.103 -3.419 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.092 -4.864 9.617 1.00 0.00 H new ATOM 631 N ALA A 45 -2.192 -4.750 10.218 1.00 0.00 N ATOM 632 CA ALA A 45 -1.294 -4.523 11.337 1.00 0.00 C ATOM 633 C ALA A 45 -0.642 -3.147 11.192 1.00 0.00 C ATOM 634 O ALA A 45 -0.545 -2.397 12.161 1.00 0.00 O ATOM 635 CB ALA A 45 -0.264 -5.652 11.402 1.00 0.00 C ATOM 0 H ALA A 45 -2.093 -5.661 9.770 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.845 -4.529 12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.410 -5.482 12.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.776 -6.605 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.310 -5.675 10.475 1.00 0.00 H new ATOM 641 N ALA A 46 -0.212 -2.857 9.972 1.00 0.00 N ATOM 642 CA ALA A 46 0.427 -1.584 9.687 1.00 0.00 C ATOM 643 C ALA A 46 -0.620 -0.469 9.737 1.00 0.00 C ATOM 644 O ALA A 46 -0.811 0.162 10.775 1.00 0.00 O ATOM 645 CB ALA A 46 1.135 -1.660 8.333 1.00 0.00 C ATOM 0 H ALA A 46 -0.294 -3.482 9.170 1.00 0.00 H new ATOM 0 HA ALA A 46 1.184 -1.358 10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.615 -0.705 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.889 -2.447 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.406 -1.883 7.553 1.00 0.00 H new ATOM 651 N ASP A 47 -1.271 -0.262 8.602 1.00 0.00 N ATOM 652 CA ASP A 47 -2.294 0.765 8.502 1.00 0.00 C ATOM 653 C ASP A 47 -2.899 0.742 7.098 1.00 0.00 C ATOM 654 O ASP A 47 -3.209 1.790 6.534 1.00 0.00 O ATOM 655 CB ASP A 47 -1.702 2.156 8.739 1.00 0.00 C ATOM 656 CG ASP A 47 -2.616 3.129 9.487 1.00 0.00 C ATOM 657 OD1 ASP A 47 -3.709 3.410 8.948 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.202 3.570 10.581 1.00 0.00 O ATOM 0 H ASP A 47 -1.110 -0.788 7.743 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.052 0.561 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.774 2.049 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.443 2.593 7.775 1.00 0.00 H new ATOM 663 N LEU A 48 -3.050 -0.465 6.573 1.00 0.00 N ATOM 664 CA LEU A 48 -3.613 -0.639 5.245 1.00 0.00 C ATOM 665 C LEU A 48 -5.116 -0.900 5.362 1.00 0.00 C ATOM 666 O LEU A 48 -5.610 -1.226 6.441 1.00 0.00 O ATOM 667 CB LEU A 48 -2.858 -1.728 4.481 1.00 0.00 C ATOM 668 CG LEU A 48 -2.713 -1.512 2.973 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.974 -1.958 2.231 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.347 -0.060 2.660 1.00 0.00 C ATOM 0 H LEU A 48 -2.792 -1.332 7.044 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.492 0.272 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.861 -1.822 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.367 -2.678 4.645 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.893 -2.135 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.844 -1.794 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.150 -3.018 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.828 -1.381 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.250 0.066 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.129 0.601 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.401 0.189 3.141 1.00 0.00 H new ATOM 682 N ARG A 49 -5.801 -0.748 4.238 1.00 0.00 N ATOM 683 CA ARG A 49 -7.237 -0.963 4.202 1.00 0.00 C ATOM 684 C ARG A 49 -7.752 -0.870 2.764 1.00 0.00 C ATOM 685 O ARG A 49 -7.131 -0.227 1.920 1.00 0.00 O ATOM 686 CB ARG A 49 -7.970 0.064 5.067 1.00 0.00 C ATOM 687 CG ARG A 49 -8.481 -0.573 6.361 1.00 0.00 C ATOM 688 CD ARG A 49 -8.615 0.472 7.470 1.00 0.00 C ATOM 689 NE ARG A 49 -9.588 0.011 8.485 1.00 0.00 N ATOM 690 CZ ARG A 49 -9.927 0.712 9.575 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.373 1.912 9.799 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.819 0.215 10.442 1.00 0.00 N ATOM 0 H ARG A 49 -5.388 -0.478 3.345 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.433 -1.960 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.299 0.890 5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.807 0.484 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.447 -1.044 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.797 -1.360 6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.645 0.646 7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.940 1.423 7.048 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.029 -0.898 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.693 2.291 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.631 2.446 10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.241 -0.698 10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.076 0.750 11.272 1.00 0.00 H new ATOM 706 N PRO A 50 -8.912 -1.538 2.524 1.00 0.00 N ATOM 707 CA PRO A 50 -9.517 -1.537 1.203 1.00 0.00 C ATOM 708 C PRO A 50 -10.190 -0.194 0.910 1.00 0.00 C ATOM 709 O PRO A 50 -10.964 0.307 1.724 1.00 0.00 O ATOM 710 CB PRO A 50 -10.495 -2.700 1.217 1.00 0.00 C ATOM 711 CG PRO A 50 -10.741 -3.020 2.683 1.00 0.00 C ATOM 712 CD PRO A 50 -9.675 -2.310 3.501 1.00 0.00 C ATOM 0 HA PRO A 50 -8.785 -1.659 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.425 -2.435 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.084 -3.563 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.735 -2.690 2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.697 -4.096 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.121 -1.663 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.039 -3.022 4.027 1.00 0.00 H new ATOM 720 N GLY A 51 -9.869 0.350 -0.255 1.00 0.00 N ATOM 721 CA GLY A 51 -10.433 1.625 -0.665 1.00 0.00 C ATOM 722 C GLY A 51 -9.374 2.729 -0.633 1.00 0.00 C ATOM 723 O GLY A 51 -9.544 3.775 -1.256 1.00 0.00 O ATOM 0 H GLY A 51 -9.226 -0.068 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.843 1.539 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.260 1.890 -0.006 1.00 0.00 H new ATOM 727 N ASP A 52 -8.304 2.456 0.100 1.00 0.00 N ATOM 728 CA ASP A 52 -7.218 3.413 0.222 1.00 0.00 C ATOM 729 C ASP A 52 -6.515 3.556 -1.130 1.00 0.00 C ATOM 730 O ASP A 52 -6.076 2.566 -1.713 1.00 0.00 O ATOM 731 CB ASP A 52 -6.182 2.944 1.245 1.00 0.00 C ATOM 732 CG ASP A 52 -6.583 3.141 2.708 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.539 4.307 3.157 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.926 2.121 3.345 1.00 0.00 O ATOM 0 H ASP A 52 -8.166 1.586 0.615 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.642 4.363 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.982 1.886 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.248 3.477 1.065 1.00 0.00 H new ATOM 739 N ILE A 53 -6.431 4.796 -1.589 1.00 0.00 N ATOM 740 CA ILE A 53 -5.790 5.081 -2.862 1.00 0.00 C ATOM 741 C ILE A 53 -4.272 5.088 -2.672 1.00 0.00 C ATOM 742 O ILE A 53 -3.727 5.982 -2.027 1.00 0.00 O ATOM 743 CB ILE A 53 -6.341 6.376 -3.461 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.816 6.223 -3.836 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.492 6.835 -4.648 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.458 7.586 -4.105 1.00 0.00 C ATOM 0 H ILE A 53 -6.796 5.615 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.018 4.300 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.282 7.156 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.906 5.593 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.349 5.719 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.905 7.758 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.469 7.011 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.497 6.064 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.506 7.449 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.388 8.204 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.938 8.077 -4.927 1.00 0.00 H new ATOM 758 N ILE A 54 -3.631 4.080 -3.247 1.00 0.00 N ATOM 759 CA ILE A 54 -2.187 3.959 -3.149 1.00 0.00 C ATOM 760 C ILE A 54 -1.529 5.027 -4.026 1.00 0.00 C ATOM 761 O ILE A 54 -1.512 4.906 -5.250 1.00 0.00 O ATOM 762 CB ILE A 54 -1.745 2.532 -3.482 1.00 0.00 C ATOM 763 CG1 ILE A 54 -2.121 1.565 -2.358 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.250 2.483 -3.806 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.160 0.123 -2.865 1.00 0.00 C ATOM 0 H ILE A 54 -4.086 3.340 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.858 4.139 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.279 2.208 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.400 1.649 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.094 1.837 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.038 1.458 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.043 3.122 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.320 2.834 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.430 -0.544 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.899 0.037 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.179 -0.154 -3.250 1.00 0.00 H new ATOM 777 N VAL A 55 -1.005 6.049 -3.365 1.00 0.00 N ATOM 778 CA VAL A 55 -0.348 7.137 -4.069 1.00 0.00 C ATOM 779 C VAL A 55 1.031 6.673 -4.544 1.00 0.00 C ATOM 780 O VAL A 55 1.393 6.875 -5.702 1.00 0.00 O ATOM 781 CB VAL A 55 -0.286 8.377 -3.175 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.218 9.655 -4.013 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.472 8.416 -2.210 1.00 0.00 C ATOM 0 H VAL A 55 -1.022 6.146 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.919 7.419 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 55 0.627 8.317 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.175 10.521 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.673 9.632 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.104 9.724 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.404 9.307 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.402 8.440 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.456 7.528 -1.578 1.00 0.00 H new ATOM 793 N ALA A 56 1.762 6.060 -3.625 1.00 0.00 N ATOM 794 CA ALA A 56 3.093 5.565 -3.935 1.00 0.00 C ATOM 795 C ALA A 56 3.244 4.143 -3.392 1.00 0.00 C ATOM 796 O ALA A 56 2.434 3.695 -2.581 1.00 0.00 O ATOM 797 CB ALA A 56 4.140 6.523 -3.362 1.00 0.00 C ATOM 0 H ALA A 56 1.458 5.895 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 56 3.245 5.523 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.138 6.152 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.009 7.511 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.020 6.589 -2.281 1.00 0.00 H new ATOM 803 N ILE A 57 4.286 3.472 -3.860 1.00 0.00 N ATOM 804 CA ILE A 57 4.553 2.110 -3.431 1.00 0.00 C ATOM 805 C ILE A 57 6.006 2.002 -2.964 1.00 0.00 C ATOM 806 O ILE A 57 6.920 1.910 -3.783 1.00 0.00 O ATOM 807 CB ILE A 57 4.188 1.118 -4.538 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.672 1.056 -4.739 1.00 0.00 C ATOM 809 CG2 ILE A 57 4.786 -0.261 -4.257 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.305 0.041 -5.824 1.00 0.00 C ATOM 0 H ILE A 57 4.956 3.846 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 57 3.924 1.849 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 57 4.623 1.472 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.188 0.783 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.297 2.041 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.512 -0.947 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.872 -0.182 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.401 -0.638 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.222 0.016 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.771 0.331 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.660 -0.948 -5.532 1.00 0.00 H new ATOM 822 N ASN A 58 6.175 2.018 -1.650 1.00 0.00 N ATOM 823 CA ASN A 58 7.501 1.923 -1.065 1.00 0.00 C ATOM 824 C ASN A 58 8.246 3.242 -1.283 1.00 0.00 C ATOM 825 O ASN A 58 9.428 3.352 -0.963 1.00 0.00 O ATOM 826 CB ASN A 58 8.315 0.807 -1.722 1.00 0.00 C ATOM 827 CG ASN A 58 9.423 0.314 -0.789 1.00 0.00 C ATOM 828 OD1 ASN A 58 10.460 0.937 -0.632 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.147 -0.836 -0.181 1.00 0.00 N ATOM 0 H ASN A 58 5.415 2.095 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 58 7.385 1.708 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.658 -0.023 -1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.753 1.170 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.823 -1.248 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.259 -1.306 -0.357 1.00 0.00 H new ATOM 836 N GLY A 59 7.522 4.210 -1.827 1.00 0.00 N ATOM 837 CA GLY A 59 8.099 5.517 -2.092 1.00 0.00 C ATOM 838 C GLY A 59 8.032 5.854 -3.583 1.00 0.00 C ATOM 839 O GLY A 59 8.245 7.000 -3.974 1.00 0.00 O ATOM 0 H GLY A 59 6.541 4.115 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.566 6.276 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.136 5.535 -1.758 1.00 0.00 H new ATOM 843 N GLN A 60 7.735 4.834 -4.375 1.00 0.00 N ATOM 844 CA GLN A 60 7.637 5.008 -5.814 1.00 0.00 C ATOM 845 C GLN A 60 6.198 5.344 -6.211 1.00 0.00 C ATOM 846 O GLN A 60 5.282 4.562 -5.961 1.00 0.00 O ATOM 847 CB GLN A 60 8.132 3.762 -6.551 1.00 0.00 C ATOM 848 CG GLN A 60 7.806 3.843 -8.044 1.00 0.00 C ATOM 849 CD GLN A 60 9.084 3.822 -8.886 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.132 3.367 -8.459 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.938 4.338 -10.103 1.00 0.00 N ATOM 0 H GLN A 60 7.559 3.884 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 60 8.277 5.841 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.209 3.658 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.669 2.873 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.166 3.007 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.246 4.756 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.032 4.702 -10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.732 4.370 -10.742 1.00 0.00 H new ATOM 860 N SER A 61 6.044 6.509 -6.823 1.00 0.00 N ATOM 861 CA SER A 61 4.732 6.959 -7.257 1.00 0.00 C ATOM 862 C SER A 61 3.948 5.788 -7.851 1.00 0.00 C ATOM 863 O SER A 61 4.513 4.949 -8.551 1.00 0.00 O ATOM 864 CB SER A 61 4.849 8.092 -8.278 1.00 0.00 C ATOM 865 OG SER A 61 5.929 7.886 -9.184 1.00 0.00 O ATOM 0 H SER A 61 6.806 7.155 -7.029 1.00 0.00 H new ATOM 0 HA SER A 61 4.197 7.343 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.917 8.173 -8.838 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.990 9.038 -7.755 1.00 0.00 H new ATOM 0 HG SER A 61 5.969 8.630 -9.820 1.00 0.00 H new ATOM 871 N ALA A 62 2.658 5.767 -7.550 1.00 0.00 N ATOM 872 CA ALA A 62 1.790 4.713 -8.046 1.00 0.00 C ATOM 873 C ALA A 62 0.642 5.335 -8.843 1.00 0.00 C ATOM 874 O ALA A 62 -0.320 4.651 -9.190 1.00 0.00 O ATOM 875 CB ALA A 62 1.293 3.866 -6.872 1.00 0.00 C ATOM 0 H ALA A 62 2.193 6.464 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 62 2.336 4.051 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.642 3.075 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.145 3.422 -6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.738 4.497 -6.178 1.00 0.00 H new ATOM 881 N GLU A 63 0.780 6.626 -9.109 1.00 0.00 N ATOM 882 CA GLU A 63 -0.234 7.348 -9.858 1.00 0.00 C ATOM 883 C GLU A 63 -0.388 6.748 -11.257 1.00 0.00 C ATOM 884 O GLU A 63 -1.505 6.570 -11.741 1.00 0.00 O ATOM 885 CB GLU A 63 0.100 8.839 -9.935 1.00 0.00 C ATOM 886 CG GLU A 63 -0.948 9.674 -9.197 1.00 0.00 C ATOM 887 CD GLU A 63 -1.267 10.959 -9.966 1.00 0.00 C ATOM 888 OE1 GLU A 63 -0.380 11.839 -9.992 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.390 11.031 -10.509 1.00 0.00 O ATOM 0 H GLU A 63 1.579 7.190 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.185 7.248 -9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.084 9.018 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.150 9.151 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.858 9.089 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.584 9.923 -8.200 1.00 0.00 H new ATOM 896 N ASN A 64 0.750 6.452 -11.868 1.00 0.00 N ATOM 897 CA ASN A 64 0.755 5.876 -13.202 1.00 0.00 C ATOM 898 C ASN A 64 1.341 4.464 -13.140 1.00 0.00 C ATOM 899 O ASN A 64 2.282 4.146 -13.866 1.00 0.00 O ATOM 900 CB ASN A 64 1.617 6.704 -14.157 1.00 0.00 C ATOM 901 CG ASN A 64 3.009 6.947 -13.568 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.415 6.332 -12.596 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.713 7.874 -14.210 1.00 0.00 N ATOM 0 H ASN A 64 1.675 6.600 -11.464 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.272 5.860 -13.566 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.708 6.187 -15.112 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.131 7.659 -14.356 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.654 8.109 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.312 8.351 -15.018 1.00 0.00 H new ATOM 910 N MET A 65 0.760 3.654 -12.267 1.00 0.00 N ATOM 911 CA MET A 65 1.213 2.284 -12.101 1.00 0.00 C ATOM 912 C MET A 65 0.188 1.296 -12.663 1.00 0.00 C ATOM 913 O MET A 65 -0.983 1.332 -12.289 1.00 0.00 O ATOM 914 CB MET A 65 1.438 1.997 -10.615 1.00 0.00 C ATOM 915 CG MET A 65 2.914 2.152 -10.244 1.00 0.00 C ATOM 916 SD MET A 65 3.187 1.585 -8.573 1.00 0.00 S ATOM 917 CE MET A 65 4.870 2.127 -8.333 1.00 0.00 C ATOM 0 H MET A 65 -0.021 3.921 -11.667 1.00 0.00 H new ATOM 0 HA MET A 65 2.147 2.161 -12.649 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.835 2.678 -10.014 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.105 0.986 -10.382 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.533 1.581 -10.936 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.213 3.196 -10.336 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.518 1.259 -8.209 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.195 2.701 -9.201 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.927 2.753 -7.442 1.00 0.00 H new ATOM 927 N LEU A 66 0.667 0.438 -13.551 1.00 0.00 N ATOM 928 CA LEU A 66 -0.193 -0.558 -14.168 1.00 0.00 C ATOM 929 C LEU A 66 -0.533 -1.639 -13.140 1.00 0.00 C ATOM 930 O LEU A 66 0.255 -1.911 -12.236 1.00 0.00 O ATOM 931 CB LEU A 66 0.450 -1.104 -15.445 1.00 0.00 C ATOM 932 CG LEU A 66 1.043 -0.062 -16.395 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.341 -0.571 -17.026 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.020 0.362 -17.452 1.00 0.00 C ATOM 0 H LEU A 66 1.639 0.412 -13.858 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.135 -0.107 -14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.240 -1.800 -15.162 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.300 -1.678 -15.989 1.00 0.00 H new ATOM 0 HG LEU A 66 1.293 0.826 -15.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.742 0.189 -17.697 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.068 -0.783 -16.242 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.139 -1.482 -17.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.467 1.103 -18.114 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.284 -0.508 -18.034 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.853 0.793 -16.961 1.00 0.00 H new ATOM 946 N HIS A 67 -1.708 -2.227 -13.313 1.00 0.00 N ATOM 947 CA HIS A 67 -2.162 -3.272 -12.412 1.00 0.00 C ATOM 948 C HIS A 67 -1.095 -4.364 -12.314 1.00 0.00 C ATOM 949 O HIS A 67 -1.075 -5.133 -11.354 1.00 0.00 O ATOM 950 CB HIS A 67 -3.525 -3.812 -12.849 1.00 0.00 C ATOM 951 CG HIS A 67 -4.236 -4.617 -11.788 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.133 -4.055 -10.896 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.173 -5.946 -11.485 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.583 -5.011 -10.097 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.987 -6.182 -10.464 1.00 0.00 N ATOM 0 H HIS A 67 -2.359 -1.999 -14.064 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.303 -2.860 -11.413 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.159 -2.975 -13.141 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.391 -4.434 -13.734 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.402 -3.072 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.564 -6.681 -11.990 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.296 -4.885 -9.296 1.00 0.00 H new ATOM 963 N ALA A 68 -0.234 -4.398 -13.320 1.00 0.00 N ATOM 964 CA ALA A 68 0.834 -5.383 -13.359 1.00 0.00 C ATOM 965 C ALA A 68 2.093 -4.790 -12.724 1.00 0.00 C ATOM 966 O ALA A 68 2.941 -5.523 -12.218 1.00 0.00 O ATOM 967 CB ALA A 68 1.064 -5.828 -14.805 1.00 0.00 C ATOM 0 H ALA A 68 -0.254 -3.759 -14.115 1.00 0.00 H new ATOM 0 HA ALA A 68 0.561 -6.268 -12.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.865 -6.567 -14.835 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.149 -6.269 -15.200 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.343 -4.966 -15.411 1.00 0.00 H new ATOM 973 N GLU A 69 2.175 -3.468 -12.771 1.00 0.00 N ATOM 974 CA GLU A 69 3.316 -2.768 -12.207 1.00 0.00 C ATOM 975 C GLU A 69 3.290 -2.856 -10.679 1.00 0.00 C ATOM 976 O GLU A 69 4.228 -3.366 -10.067 1.00 0.00 O ATOM 977 CB GLU A 69 3.350 -1.311 -12.671 1.00 0.00 C ATOM 978 CG GLU A 69 3.746 -1.215 -14.146 1.00 0.00 C ATOM 979 CD GLU A 69 5.067 -0.460 -14.311 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.009 0.789 -14.322 1.00 0.00 O ATOM 981 OE2 GLU A 69 6.104 -1.148 -14.421 1.00 0.00 O ATOM 0 H GLU A 69 1.469 -2.863 -13.191 1.00 0.00 H new ATOM 0 HA GLU A 69 4.226 -3.250 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.371 -0.855 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.058 -0.748 -12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.840 -2.216 -14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.960 -0.707 -14.705 1.00 0.00 H new ATOM 988 N ALA A 70 2.206 -2.352 -10.108 1.00 0.00 N ATOM 989 CA ALA A 70 2.046 -2.368 -8.664 1.00 0.00 C ATOM 990 C ALA A 70 2.038 -3.816 -8.171 1.00 0.00 C ATOM 991 O ALA A 70 2.705 -4.146 -7.191 1.00 0.00 O ATOM 992 CB ALA A 70 0.769 -1.616 -8.284 1.00 0.00 C ATOM 0 H ALA A 70 1.430 -1.930 -10.619 1.00 0.00 H new ATOM 0 HA ALA A 70 2.880 -1.860 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.649 -1.628 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.837 -0.585 -8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.090 -2.099 -8.750 1.00 0.00 H new ATOM 998 N GLN A 71 1.277 -4.643 -8.873 1.00 0.00 N ATOM 999 CA GLN A 71 1.174 -6.048 -8.520 1.00 0.00 C ATOM 1000 C GLN A 71 2.564 -6.634 -8.262 1.00 0.00 C ATOM 1001 O GLN A 71 2.786 -7.293 -7.248 1.00 0.00 O ATOM 1002 CB GLN A 71 0.440 -6.835 -9.607 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.054 -6.936 -9.297 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.292 -7.686 -7.985 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -1.283 -8.904 -7.925 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -1.505 -6.892 -6.939 1.00 0.00 N ATOM 0 H GLN A 71 0.726 -4.366 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 71 0.591 -6.130 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.583 -6.349 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.867 -7.835 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.484 -5.936 -9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.564 -7.450 -10.112 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.499 -5.879 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.674 -7.296 -6.018 1.00 0.00 H new ATOM 1015 N SER A 72 3.464 -6.372 -9.199 1.00 0.00 N ATOM 1016 CA SER A 72 4.826 -6.865 -9.086 1.00 0.00 C ATOM 1017 C SER A 72 5.602 -6.031 -8.066 1.00 0.00 C ATOM 1018 O SER A 72 6.180 -6.573 -7.125 1.00 0.00 O ATOM 1019 CB SER A 72 5.535 -6.840 -10.442 1.00 0.00 C ATOM 1020 OG SER A 72 6.890 -7.270 -10.344 1.00 0.00 O ATOM 0 H SER A 72 3.276 -5.825 -10.039 1.00 0.00 H new ATOM 0 HA SER A 72 4.788 -7.900 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.001 -7.482 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.504 -5.829 -10.849 1.00 0.00 H new ATOM 0 HG SER A 72 7.307 -7.241 -11.230 1.00 0.00 H new ATOM 1026 N LYS A 73 5.590 -4.724 -8.286 1.00 0.00 N ATOM 1027 CA LYS A 73 6.286 -3.809 -7.398 1.00 0.00 C ATOM 1028 C LYS A 73 6.093 -4.265 -5.950 1.00 0.00 C ATOM 1029 O LYS A 73 7.053 -4.649 -5.283 1.00 0.00 O ATOM 1030 CB LYS A 73 5.837 -2.369 -7.653 1.00 0.00 C ATOM 1031 CG LYS A 73 6.611 -1.752 -8.819 1.00 0.00 C ATOM 1032 CD LYS A 73 7.852 -1.008 -8.321 1.00 0.00 C ATOM 1033 CE LYS A 73 8.254 0.101 -9.295 1.00 0.00 C ATOM 1034 NZ LYS A 73 9.159 -0.428 -10.339 1.00 0.00 N ATOM 0 H LYS A 73 5.109 -4.277 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 73 7.357 -3.825 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.769 -2.350 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.990 -1.772 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.908 -2.534 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.965 -1.065 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.654 -0.580 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.678 -1.710 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.364 0.526 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.747 0.908 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.422 0.338 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.016 -0.812 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.676 -1.182 -10.868 1.00 0.00 H new ATOM 1048 N ILE A 74 4.846 -4.209 -5.506 1.00 0.00 N ATOM 1049 CA ILE A 74 4.516 -4.612 -4.150 1.00 0.00 C ATOM 1050 C ILE A 74 5.326 -5.856 -3.780 1.00 0.00 C ATOM 1051 O ILE A 74 6.043 -5.860 -2.781 1.00 0.00 O ATOM 1052 CB ILE A 74 3.004 -4.795 -3.999 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.306 -3.449 -3.795 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.681 -5.784 -2.876 1.00 0.00 C ATOM 1055 CD1 ILE A 74 0.868 -3.493 -4.314 1.00 0.00 C ATOM 0 H ILE A 74 4.052 -3.891 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 74 4.792 -3.830 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 74 2.618 -5.221 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.306 -3.192 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.860 -2.666 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.600 -5.896 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.129 -6.751 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.083 -5.410 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.395 -2.524 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.872 -3.726 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.311 -4.260 -3.777 1.00 0.00 H new ATOM 1067 N ARG A 75 5.185 -6.882 -4.607 1.00 0.00 N ATOM 1068 CA ARG A 75 5.895 -8.129 -4.379 1.00 0.00 C ATOM 1069 C ARG A 75 7.400 -7.873 -4.283 1.00 0.00 C ATOM 1070 O ARG A 75 8.050 -8.317 -3.337 1.00 0.00 O ATOM 1071 CB ARG A 75 5.626 -9.130 -5.505 1.00 0.00 C ATOM 1072 CG ARG A 75 5.634 -10.565 -4.976 1.00 0.00 C ATOM 1073 CD ARG A 75 4.495 -11.382 -5.590 1.00 0.00 C ATOM 1074 NE ARG A 75 3.926 -12.298 -4.577 1.00 0.00 N ATOM 1075 CZ ARG A 75 2.767 -12.955 -4.724 1.00 0.00 C ATOM 1076 NH1 ARG A 75 2.047 -12.800 -5.843 1.00 0.00 N ATOM 1077 NH2 ARG A 75 2.329 -13.766 -3.751 1.00 0.00 N ATOM 0 H ARG A 75 4.590 -6.875 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 75 5.534 -8.549 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.662 -8.914 -5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.383 -9.021 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.590 -11.036 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.536 -10.557 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.719 -10.715 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.864 -11.953 -6.442 1.00 0.00 H new ATOM 0 HE ARG A 75 4.449 -12.438 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.381 -12.182 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.165 -13.300 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.878 -13.883 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.447 -14.266 -3.862 1.00 0.00 H new ATOM 1091 N GLN A 76 7.911 -7.158 -5.274 1.00 0.00 N ATOM 1092 CA GLN A 76 9.328 -6.837 -5.313 1.00 0.00 C ATOM 1093 C GLN A 76 9.688 -5.884 -4.172 1.00 0.00 C ATOM 1094 O GLN A 76 10.864 -5.621 -3.926 1.00 0.00 O ATOM 1095 CB GLN A 76 9.718 -6.243 -6.668 1.00 0.00 C ATOM 1096 CG GLN A 76 9.566 -7.277 -7.785 1.00 0.00 C ATOM 1097 CD GLN A 76 10.921 -7.608 -8.414 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.959 -7.562 -7.774 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.854 -7.942 -9.700 1.00 0.00 N ATOM 0 H GLN A 76 7.369 -6.792 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 76 9.894 -7.759 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.093 -5.376 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.749 -5.891 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.115 -8.185 -7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.890 -6.895 -8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.952 -7.961 -10.176 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.705 -8.180 -10.210 1.00 0.00 H new ATOM 1108 N SER A 77 8.654 -5.394 -3.504 1.00 0.00 N ATOM 1109 CA SER A 77 8.847 -4.476 -2.395 1.00 0.00 C ATOM 1110 C SER A 77 9.392 -5.230 -1.180 1.00 0.00 C ATOM 1111 O SER A 77 8.865 -6.278 -0.808 1.00 0.00 O ATOM 1112 CB SER A 77 7.541 -3.764 -2.035 1.00 0.00 C ATOM 1113 OG SER A 77 7.759 -2.409 -1.653 1.00 0.00 O ATOM 0 H SER A 77 7.680 -5.616 -3.710 1.00 0.00 H new ATOM 0 HA SER A 77 9.570 -3.719 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.864 -3.795 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.051 -4.296 -1.220 1.00 0.00 H new ATOM 0 HG SER A 77 8.369 -1.983 -2.291 1.00 0.00 H new ATOM 1119 N ALA A 78 10.440 -4.668 -0.596 1.00 0.00 N ATOM 1120 CA ALA A 78 11.061 -5.275 0.569 1.00 0.00 C ATOM 1121 C ALA A 78 10.303 -4.848 1.827 1.00 0.00 C ATOM 1122 O ALA A 78 9.323 -4.109 1.745 1.00 0.00 O ATOM 1123 CB ALA A 78 12.540 -4.885 0.620 1.00 0.00 C ATOM 0 H ALA A 78 10.875 -3.799 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 78 11.011 -6.362 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.006 -5.340 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.040 -5.236 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.628 -3.801 0.685 1.00 0.00 H new ATOM 1129 N SER A 79 10.785 -5.332 2.963 1.00 0.00 N ATOM 1130 CA SER A 79 10.164 -5.010 4.236 1.00 0.00 C ATOM 1131 C SER A 79 11.063 -4.061 5.031 1.00 0.00 C ATOM 1132 O SER A 79 12.281 -4.226 5.053 1.00 0.00 O ATOM 1133 CB SER A 79 9.881 -6.276 5.047 1.00 0.00 C ATOM 1134 OG SER A 79 9.352 -5.978 6.336 1.00 0.00 O ATOM 0 H SER A 79 11.598 -5.944 3.028 1.00 0.00 H new ATOM 0 HA SER A 79 9.212 -4.518 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.177 -6.905 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.801 -6.849 5.157 1.00 0.00 H new ATOM 0 HG SER A 79 9.536 -6.723 6.945 1.00 0.00 H new ATOM 1140 N PRO A 80 10.410 -3.061 5.683 1.00 0.00 N ATOM 1141 CA PRO A 80 8.964 -2.937 5.605 1.00 0.00 C ATOM 1142 C PRO A 80 8.534 -2.380 4.247 1.00 0.00 C ATOM 1143 O PRO A 80 9.341 -1.790 3.530 1.00 0.00 O ATOM 1144 CB PRO A 80 8.584 -2.032 6.766 1.00 0.00 C ATOM 1145 CG PRO A 80 9.861 -1.311 7.167 1.00 0.00 C ATOM 1146 CD PRO A 80 11.028 -2.027 6.507 1.00 0.00 C ATOM 0 HA PRO A 80 8.454 -3.897 5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.811 -1.322 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.185 -2.611 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.826 -0.268 6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.976 -1.313 8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.622 -1.342 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.698 -2.460 7.250 1.00 0.00 H new ATOM 1154 N LEU A 81 7.263 -2.586 3.934 1.00 0.00 N ATOM 1155 CA LEU A 81 6.716 -2.112 2.675 1.00 0.00 C ATOM 1156 C LEU A 81 5.892 -0.847 2.925 1.00 0.00 C ATOM 1157 O LEU A 81 4.756 -0.924 3.391 1.00 0.00 O ATOM 1158 CB LEU A 81 5.934 -3.226 1.976 1.00 0.00 C ATOM 1159 CG LEU A 81 4.814 -2.774 1.038 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.371 -1.948 -0.123 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.992 -3.968 0.549 1.00 0.00 C ATOM 0 H LEU A 81 6.596 -3.075 4.531 1.00 0.00 H new ATOM 0 HA LEU A 81 7.519 -1.840 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.637 -3.832 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.502 -3.873 2.739 1.00 0.00 H new ATOM 0 HG LEU A 81 4.139 -2.127 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.554 -1.639 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.877 -1.065 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.080 -2.550 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.203 -3.618 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.640 -4.660 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.547 -4.478 1.404 1.00 0.00 H new ATOM 1173 N ARG A 82 6.496 0.288 2.606 1.00 0.00 N ATOM 1174 CA ARG A 82 5.833 1.567 2.790 1.00 0.00 C ATOM 1175 C ARG A 82 4.780 1.781 1.701 1.00 0.00 C ATOM 1176 O ARG A 82 5.047 1.553 0.522 1.00 0.00 O ATOM 1177 CB ARG A 82 6.838 2.719 2.753 1.00 0.00 C ATOM 1178 CG ARG A 82 6.696 3.612 3.987 1.00 0.00 C ATOM 1179 CD ARG A 82 7.925 4.506 4.163 1.00 0.00 C ATOM 1180 NE ARG A 82 9.006 3.752 4.837 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.060 4.324 5.435 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.182 5.659 5.446 1.00 0.00 N ATOM 1183 NH2 ARG A 82 10.993 3.562 6.021 1.00 0.00 N ATOM 0 H ARG A 82 7.439 0.348 2.221 1.00 0.00 H new ATOM 0 HA ARG A 82 5.351 1.553 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.851 2.321 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.684 3.312 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.803 4.230 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.562 2.993 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.269 4.861 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.664 5.386 4.750 1.00 0.00 H new ATOM 0 HE ARG A 82 8.945 2.734 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.472 6.240 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.984 6.094 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.901 2.546 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.795 3.998 6.476 1.00 0.00 H new ATOM 1197 N LEU A 83 3.607 2.218 2.134 1.00 0.00 N ATOM 1198 CA LEU A 83 2.513 2.466 1.210 1.00 0.00 C ATOM 1199 C LEU A 83 1.908 3.840 1.500 1.00 0.00 C ATOM 1200 O LEU A 83 1.363 4.068 2.579 1.00 0.00 O ATOM 1201 CB LEU A 83 1.497 1.323 1.263 1.00 0.00 C ATOM 1202 CG LEU A 83 1.873 0.055 0.493 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.016 -1.131 0.940 1.00 0.00 C ATOM 1204 CD2 LEU A 83 1.790 0.286 -1.017 1.00 0.00 C ATOM 0 H LEU A 83 3.390 2.407 3.113 1.00 0.00 H new ATOM 0 HA LEU A 83 2.879 2.489 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.335 1.056 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.546 1.690 0.877 1.00 0.00 H new ATOM 0 HG LEU A 83 2.909 -0.191 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.303 -2.020 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.169 -1.310 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.035 -0.910 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.062 -0.630 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.773 0.570 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.476 1.084 -1.301 1.00 0.00 H new ATOM 1216 N GLN A 84 2.023 4.722 0.517 1.00 0.00 N ATOM 1217 CA GLN A 84 1.495 6.068 0.653 1.00 0.00 C ATOM 1218 C GLN A 84 0.048 6.122 0.159 1.00 0.00 C ATOM 1219 O GLN A 84 -0.200 6.141 -1.046 1.00 0.00 O ATOM 1220 CB GLN A 84 2.368 7.078 -0.094 1.00 0.00 C ATOM 1221 CG GLN A 84 1.980 8.513 0.271 1.00 0.00 C ATOM 1222 CD GLN A 84 2.481 9.501 -0.784 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.535 9.335 -1.377 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.670 10.536 -0.985 1.00 0.00 N ATOM 0 H GLN A 84 2.475 4.530 -0.377 1.00 0.00 H new ATOM 0 HA GLN A 84 1.508 6.338 1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.417 6.908 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.262 6.931 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.896 8.589 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.399 8.771 1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.802 10.614 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.916 11.251 -1.669 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.870 6.147 1.114 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.286 6.199 0.790 1.00 0.00 C ATOM 1235 C LEU A 85 -2.744 7.658 0.759 1.00 0.00 C ATOM 1236 O LEU A 85 -2.263 8.481 1.537 1.00 0.00 O ATOM 1237 CB LEU A 85 -3.088 5.323 1.755 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.417 4.020 2.194 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.137 3.411 3.399 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.318 3.034 1.027 1.00 0.00 C ATOM 0 H LEU A 85 -0.661 6.132 2.112 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.466 5.787 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.313 5.910 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.041 5.078 1.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.399 4.249 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.640 2.486 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.112 4.114 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.173 3.198 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.837 2.116 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.318 2.805 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.728 3.478 0.225 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.669 7.935 -0.148 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.198 9.281 -0.291 1.00 0.00 C ATOM 1254 C ASP A 86 -5.570 9.359 0.381 1.00 0.00 C ATOM 1255 O ASP A 86 -6.571 8.929 -0.191 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.372 9.651 -1.766 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.818 11.022 -2.158 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -3.490 11.789 -1.228 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.734 11.271 -3.380 1.00 0.00 O ATOM 0 H ASP A 86 -4.066 7.250 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.494 9.971 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.884 8.891 -2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.434 9.622 -2.010 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.573 9.912 1.585 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.806 10.052 2.341 1.00 0.00 C ATOM 1266 C ARG A 87 -7.212 11.525 2.426 1.00 0.00 C ATOM 1267 O ARG A 87 -6.644 12.285 3.209 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.652 9.491 3.756 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.997 9.013 4.306 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.883 7.601 4.884 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.505 6.624 3.962 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.871 5.385 4.316 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.680 4.963 5.574 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.428 4.567 3.413 1.00 0.00 N ATOM 0 H ARG A 87 -4.741 10.268 2.056 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.579 9.487 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.944 8.663 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.239 10.257 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.342 9.699 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.744 9.026 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.835 7.348 5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.372 7.557 5.857 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.665 6.912 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.256 5.585 6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.959 4.020 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.573 4.888 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.707 3.624 3.683 1.00 0.00 H new ATOM 1288 N SER A 88 -8.192 11.884 1.609 1.00 0.00 N ATOM 1289 CA SER A 88 -8.680 13.252 1.583 1.00 0.00 C ATOM 1290 C SER A 88 -10.208 13.261 1.495 1.00 0.00 C ATOM 1291 O SER A 88 -10.770 13.418 0.413 1.00 0.00 O ATOM 1292 CB SER A 88 -8.077 14.029 0.411 1.00 0.00 C ATOM 1293 OG SER A 88 -8.382 15.420 0.479 1.00 0.00 O ATOM 0 H SER A 88 -8.661 11.251 0.961 1.00 0.00 H new ATOM 0 HA SER A 88 -8.372 13.743 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.995 13.895 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.454 13.621 -0.527 1.00 0.00 H new ATOM 0 HG SER A 88 -7.978 15.881 -0.286 1.00 0.00 H new ATOM 1299 N SER A 89 -10.836 13.090 2.649 1.00 0.00 N ATOM 1300 CA SER A 89 -12.287 13.076 2.717 1.00 0.00 C ATOM 1301 C SER A 89 -12.770 14.040 3.803 1.00 0.00 C ATOM 1302 O SER A 89 -11.965 14.584 4.557 1.00 0.00 O ATOM 1303 CB SER A 89 -12.812 11.665 2.988 1.00 0.00 C ATOM 1304 OG SER A 89 -13.381 11.074 1.823 1.00 0.00 O ATOM 0 H SER A 89 -10.366 12.960 3.545 1.00 0.00 H new ATOM 0 HA SER A 89 -12.677 13.401 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.997 11.039 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.562 11.703 3.778 1.00 0.00 H new ATOM 0 HG SER A 89 -13.703 10.173 2.037 1.00 0.00 H new ATOM 1310 N GLY A 90 -14.081 14.223 3.846 1.00 0.00 N ATOM 1311 CA GLY A 90 -14.680 15.112 4.827 1.00 0.00 C ATOM 1312 C GLY A 90 -15.456 14.321 5.882 1.00 0.00 C ATOM 1313 O GLY A 90 -15.726 13.135 5.700 1.00 0.00 O ATOM 0 H GLY A 90 -14.745 13.771 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.902 15.703 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.349 15.813 4.328 1.00 0.00 H new ATOM 1317 N PRO A 91 -15.802 15.028 6.991 1.00 0.00 N ATOM 1318 CA PRO A 91 -16.542 14.405 8.076 1.00 0.00 C ATOM 1319 C PRO A 91 -18.012 14.213 7.697 1.00 0.00 C ATOM 1320 O PRO A 91 -18.409 14.500 6.569 1.00 0.00 O ATOM 1321 CB PRO A 91 -16.351 15.332 9.265 1.00 0.00 C ATOM 1322 CG PRO A 91 -15.905 16.665 8.688 1.00 0.00 C ATOM 1323 CD PRO A 91 -15.499 16.435 7.241 1.00 0.00 C ATOM 0 HA PRO A 91 -16.184 13.402 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -17.278 15.441 9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.605 14.935 9.953 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.712 17.395 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.069 17.068 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.054 17.086 6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.440 16.646 7.088 1.00 0.00 H new ATOM 1331 N SER A 92 -18.780 13.730 8.663 1.00 0.00 N ATOM 1332 CA SER A 92 -20.197 13.496 8.445 1.00 0.00 C ATOM 1333 C SER A 92 -20.988 14.775 8.727 1.00 0.00 C ATOM 1334 O SER A 92 -20.454 15.726 9.296 1.00 0.00 O ATOM 1335 CB SER A 92 -20.708 12.352 9.323 1.00 0.00 C ATOM 1336 OG SER A 92 -21.941 11.821 8.844 1.00 0.00 O ATOM 0 H SER A 92 -18.448 13.495 9.598 1.00 0.00 H new ATOM 0 HA SER A 92 -20.340 13.210 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 92 -19.961 11.559 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.840 12.710 10.344 1.00 0.00 H new ATOM 0 HG SER A 92 -22.233 11.092 9.430 1.00 0.00 H new ATOM 1342 N SER A 93 -22.247 14.757 8.316 1.00 0.00 N ATOM 1343 CA SER A 93 -23.117 15.904 8.518 1.00 0.00 C ATOM 1344 C SER A 93 -24.123 15.608 9.632 1.00 0.00 C ATOM 1345 O SER A 93 -24.884 14.646 9.547 1.00 0.00 O ATOM 1346 CB SER A 93 -23.849 16.274 7.226 1.00 0.00 C ATOM 1347 OG SER A 93 -23.086 17.166 6.417 1.00 0.00 O ATOM 0 H SER A 93 -22.686 13.967 7.844 1.00 0.00 H new ATOM 0 HA SER A 93 -22.500 16.754 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.067 15.368 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.806 16.735 7.471 1.00 0.00 H new ATOM 0 HG SER A 93 -23.586 17.377 5.601 1.00 0.00 H new ATOM 1353 N GLY A 94 -24.094 16.455 10.651 1.00 0.00 N ATOM 1354 CA GLY A 94 -24.994 16.296 11.781 1.00 0.00 C ATOM 1355 C GLY A 94 -24.713 14.990 12.527 1.00 0.00 C ATOM 1356 O GLY A 94 -25.404 13.993 12.321 1.00 0.00 O ATOM 0 H GLY A 94 -23.462 17.253 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.881 17.139 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -26.027 16.305 11.432 1.00 0.00 H new TER 1360 GLY A 94