USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1038 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 63 SER OG : rot -58:sc= 1.17 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.35 K(o=2.5,f=-3.9!) USER MOD Set 2.1: A 57 SER OG : rot -77:sc= 0.124 USER MOD Set 2.2: A 58 ASN : amide:sc= 0.221 X(o=0.34,f=0) USER MOD Set 3.1: A -2 HIS :FLIP no HE2:sc= 0.0042 F(o=-2.5,f=0.032) USER MOD Set 3.2: A -4 HIS : no HD1:sc= 0.0279 K(o=0.032,f=-2.6) USER MOD Set 4.1: A -1 HIS :FLIP no HD1:sc= 0.00214 X(o=-0.064,f=-0.059) USER MOD Set 4.2: A -3 HIS :FLIP no HE2:sc= -0.0613 X(o=-0.17,f=-0.059) USER MOD Single : A 0 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.05) USER MOD Single : A -5 HIS N :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 11 MET CE :methyl 128:sc= -0.181 (180deg=-0.994) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00193) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc=-0.00439 X(o=-0.0044,f=0.024) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -142:sc= -0.152 (180deg=-1.19) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -115:sc= -1.28 (180deg=-3.47!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.787 K(o=-0.79,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.492 USER MOD Single : A 77 HIS : no HD1:sc= -1.96 K(o=-2,f=-4.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.24 K(o=-1.2,f=-9.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 166:sc= 0.0292 USER MOD Single : A 101 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0251 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 77:sc= 0.296 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 80:sc= -0.386 USER MOD Single : A 136 ASN : amide:sc=-0.00577 K(o=-0.0058,f=-1.4) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -5 87.231 -18.152 4.098 1.00 0.00 N ATOM 2 CA HIS A -5 87.034 -17.016 5.042 1.00 0.00 C ATOM 3 C HIS A -5 85.677 -17.153 5.723 1.00 0.00 C ATOM 4 O HIS A -5 84.670 -17.431 5.072 1.00 0.00 O ATOM 5 CB HIS A -5 87.100 -15.697 4.268 1.00 0.00 C ATOM 6 CG HIS A -5 88.442 -15.439 3.641 1.00 0.00 C ATOM 7 ND1 HIS A -5 88.741 -15.833 2.346 1.00 0.00 N ATOM 8 CD2 HIS A -5 89.575 -14.825 4.116 1.00 0.00 C ATOM 9 CE1 HIS A -5 90.006 -15.456 2.089 1.00 0.00 C ATOM 10 NE2 HIS A -5 90.562 -14.838 3.134 1.00 0.00 N ATOM 0 H1 HIS A -5 88.183 -18.098 3.683 1.00 0.00 H new ATOM 0 H2 HIS A -5 87.127 -19.051 4.610 1.00 0.00 H new ATOM 0 H3 HIS A -5 86.520 -18.101 3.341 1.00 0.00 H new ATOM 0 HA HIS A -5 87.817 -17.026 5.800 1.00 0.00 H new ATOM 0 HB2 HIS A -5 86.338 -15.703 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A -5 86.859 -14.876 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A -5 89.684 -14.397 5.102 1.00 0.00 H new ATOM 0 HE1 HIS A -5 90.511 -15.632 1.151 1.00 0.00 H new ATOM 0 HE2 HIS A -5 91.506 -14.458 3.199 1.00 0.00 H new ATOM 20 N HIS A -4 85.657 -16.955 7.038 1.00 0.00 N ATOM 21 CA HIS A -4 84.420 -17.057 7.808 1.00 0.00 C ATOM 22 C HIS A -4 84.175 -15.775 8.597 1.00 0.00 C ATOM 23 O HIS A -4 85.089 -15.234 9.219 1.00 0.00 O ATOM 24 CB HIS A -4 84.505 -18.241 8.774 1.00 0.00 C ATOM 25 CG HIS A -4 83.234 -18.478 9.543 1.00 0.00 C ATOM 26 ND1 HIS A -4 82.062 -18.883 8.927 1.00 0.00 N ATOM 27 CD2 HIS A -4 82.938 -18.371 10.880 1.00 0.00 C ATOM 28 CE1 HIS A -4 81.122 -19.005 9.882 1.00 0.00 C ATOM 29 NE2 HIS A -4 81.601 -18.704 11.091 1.00 0.00 N ATOM 0 H HIS A -4 86.481 -16.723 7.592 1.00 0.00 H new ATOM 0 HA HIS A -4 83.593 -17.210 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A -4 84.754 -19.141 8.212 1.00 0.00 H new ATOM 0 HB3 HIS A -4 85.320 -18.069 9.477 1.00 0.00 H new ATOM 0 HD2 HIS A -4 83.635 -18.074 11.650 1.00 0.00 H new ATOM 0 HE1 HIS A -4 80.103 -19.310 9.693 1.00 0.00 H new ATOM 0 HE2 HIS A -4 81.097 -18.715 11.978 1.00 0.00 H new ATOM 37 N HIS A -3 82.936 -15.293 8.565 1.00 0.00 N ATOM 38 CA HIS A -3 82.573 -14.069 9.276 1.00 0.00 C ATOM 39 C HIS A -3 81.337 -14.300 10.138 1.00 0.00 C ATOM 40 O HIS A -3 80.474 -15.109 9.798 1.00 0.00 O ATOM 41 CB HIS A -3 82.296 -12.948 8.274 1.00 0.00 C ATOM 42 CG HIS A -3 82.022 -11.620 8.924 1.00 0.00 C ATOM 43 ND1 HIS A -3 80.894 -10.837 8.974 1.00 0.00 N flip ATOM 44 CD2 HIS A -3 82.989 -10.935 9.642 1.00 0.00 C flip ATOM 45 CE1 HIS A -3 81.156 -9.684 9.710 1.00 0.00 C flip ATOM 46 NE2 HIS A -3 82.433 -9.795 10.089 1.00 0.00 N flip ATOM 0 H HIS A -3 82.167 -15.729 8.056 1.00 0.00 H new ATOM 0 HA HIS A -3 83.404 -13.783 9.920 1.00 0.00 H new ATOM 0 HB2 HIS A -3 83.152 -12.848 7.607 1.00 0.00 H new ATOM 0 HB3 HIS A -3 81.441 -13.225 7.657 1.00 0.00 H new ATOM 0 HD1 HIS A -3 80.000 -11.065 8.538 1.00 0.00 H new ATOM 0 HD2 HIS A -3 84.005 -11.258 9.812 1.00 0.00 H new ATOM 0 HE1 HIS A -3 80.475 -8.875 9.928 1.00 0.00 H new ATOM 54 N HIS A -2 81.259 -13.584 11.257 1.00 0.00 N ATOM 55 CA HIS A -2 80.131 -13.721 12.174 1.00 0.00 C ATOM 56 C HIS A -2 79.286 -12.451 12.176 1.00 0.00 C ATOM 57 O HIS A -2 79.816 -11.340 12.123 1.00 0.00 O ATOM 58 CB HIS A -2 80.643 -13.991 13.589 1.00 0.00 C ATOM 59 CG HIS A -2 81.435 -15.266 13.706 1.00 0.00 C ATOM 60 ND1 HIS A -2 82.774 -15.498 13.906 1.00 0.00 N flip ATOM 61 CD2 HIS A -2 80.842 -16.515 13.616 1.00 0.00 C flip ATOM 62 CE1 HIS A -2 83.010 -16.870 13.940 1.00 0.00 C flip ATOM 63 NE2 HIS A -2 81.813 -17.435 13.760 1.00 0.00 N flip ATOM 0 H HIS A -2 81.961 -12.905 11.550 1.00 0.00 H new ATOM 0 HA HIS A -2 79.515 -14.556 11.841 1.00 0.00 H new ATOM 0 HB2 HIS A -2 81.266 -13.155 13.908 1.00 0.00 H new ATOM 0 HB3 HIS A -2 79.795 -14.035 14.272 1.00 0.00 H new ATOM 0 HD1 HIS A -2 83.486 -14.776 14.013 1.00 0.00 H new ATOM 0 HD2 HIS A -2 79.792 -16.714 13.459 1.00 0.00 H new ATOM 0 HE1 HIS A -2 83.957 -17.370 14.081 1.00 0.00 H new ATOM 71 N HIS A -1 77.969 -12.622 12.235 1.00 0.00 N ATOM 72 CA HIS A -1 77.047 -11.488 12.244 1.00 0.00 C ATOM 73 C HIS A -1 76.340 -11.387 13.591 1.00 0.00 C ATOM 74 O HIS A -1 75.952 -12.397 14.177 1.00 0.00 O ATOM 75 CB HIS A -1 76.008 -11.655 11.135 1.00 0.00 C ATOM 76 CG HIS A -1 76.602 -11.683 9.753 1.00 0.00 C ATOM 77 ND1 HIS A -1 76.781 -12.704 8.852 1.00 0.00 N flip ATOM 78 CD2 HIS A -1 77.104 -10.546 9.141 1.00 0.00 C flip ATOM 79 CE1 HIS A -1 77.384 -12.210 7.698 1.00 0.00 C flip ATOM 80 NE2 HIS A -1 77.555 -10.905 7.926 1.00 0.00 N flip ATOM 0 H HIS A -1 77.515 -13.534 12.277 1.00 0.00 H new ATOM 0 HA HIS A -1 77.618 -10.575 12.075 1.00 0.00 H new ATOM 0 HB2 HIS A -1 75.455 -12.579 11.303 1.00 0.00 H new ATOM 0 HB3 HIS A -1 75.289 -10.838 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A -1 77.129 -9.552 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A -1 77.655 -12.763 6.810 1.00 0.00 H new ATOM 0 HE2 HIS A -1 77.977 -10.259 7.259 1.00 0.00 H new ATOM 88 N HIS A 0 76.174 -10.159 14.078 1.00 0.00 N ATOM 89 CA HIS A 0 75.514 -9.926 15.359 1.00 0.00 C ATOM 90 C HIS A 0 74.290 -9.037 15.175 1.00 0.00 C ATOM 91 O HIS A 0 74.354 -8.005 14.507 1.00 0.00 O ATOM 92 CB HIS A 0 76.488 -9.257 16.331 1.00 0.00 C ATOM 93 CG HIS A 0 75.913 -9.048 17.705 1.00 0.00 C ATOM 94 ND1 HIS A 0 75.591 -10.105 18.540 1.00 0.00 N ATOM 95 CD2 HIS A 0 75.598 -7.908 18.405 1.00 0.00 C ATOM 96 CE1 HIS A 0 75.105 -9.588 19.682 1.00 0.00 C ATOM 97 NE2 HIS A 0 75.087 -8.253 19.654 1.00 0.00 N ATOM 0 H HIS A 0 76.487 -9.311 13.605 1.00 0.00 H new ATOM 0 HA HIS A 0 75.195 -10.887 15.764 1.00 0.00 H new ATOM 0 HB2 HIS A 0 77.387 -9.868 16.411 1.00 0.00 H new ATOM 0 HB3 HIS A 0 76.793 -8.293 15.923 1.00 0.00 H new ATOM 0 HD2 HIS A 0 75.727 -6.899 18.042 1.00 0.00 H new ATOM 0 HE1 HIS A 0 74.770 -10.181 20.520 1.00 0.00 H new ATOM 0 HE2 HIS A 0 74.768 -7.622 20.389 1.00 0.00 H new ATOM 105 N SER A 1 73.174 -9.444 15.773 1.00 0.00 N ATOM 106 CA SER A 1 71.939 -8.677 15.669 1.00 0.00 C ATOM 107 C SER A 1 72.103 -7.304 16.314 1.00 0.00 C ATOM 108 O SER A 1 72.954 -7.114 17.183 1.00 0.00 O ATOM 109 CB SER A 1 70.798 -9.430 16.354 1.00 0.00 C ATOM 110 OG SER A 1 70.659 -10.711 15.754 1.00 0.00 O ATOM 0 H SER A 1 73.100 -10.295 16.331 1.00 0.00 H new ATOM 0 HA SER A 1 71.705 -8.544 14.613 1.00 0.00 H new ATOM 0 HB2 SER A 1 71.003 -9.534 17.420 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.868 -8.869 16.261 1.00 0.00 H new ATOM 0 HG SER A 1 69.930 -11.199 16.190 1.00 0.00 H new ATOM 116 N SER A 2 71.283 -6.351 15.882 1.00 0.00 N ATOM 117 CA SER A 2 71.345 -5.000 16.427 1.00 0.00 C ATOM 118 C SER A 2 70.871 -4.985 17.876 1.00 0.00 C ATOM 119 O SER A 2 70.215 -5.921 18.335 1.00 0.00 O ATOM 120 CB SER A 2 70.473 -4.061 15.594 1.00 0.00 C ATOM 121 OG SER A 2 69.104 -4.328 15.869 1.00 0.00 O ATOM 0 H SER A 2 70.573 -6.488 15.162 1.00 0.00 H new ATOM 0 HA SER A 2 72.380 -4.661 16.392 1.00 0.00 H new ATOM 0 HB2 SER A 2 70.708 -3.023 15.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 70.677 -4.201 14.533 1.00 0.00 H new ATOM 0 HG SER A 2 68.540 -3.727 15.338 1.00 0.00 H new ATOM 127 N GLY A 3 71.207 -3.918 18.594 1.00 0.00 N ATOM 128 CA GLY A 3 70.815 -3.796 19.993 1.00 0.00 C ATOM 129 C GLY A 3 69.395 -3.256 20.118 1.00 0.00 C ATOM 130 O GLY A 3 68.718 -3.022 19.116 1.00 0.00 O ATOM 0 H GLY A 3 71.746 -3.131 18.233 1.00 0.00 H new ATOM 0 HA2 GLY A 3 70.882 -4.769 20.479 1.00 0.00 H new ATOM 0 HA3 GLY A 3 71.507 -3.133 20.512 1.00 0.00 H new ATOM 134 N LEU A 4 68.948 -3.062 21.355 1.00 0.00 N ATOM 135 CA LEU A 4 67.603 -2.553 21.603 1.00 0.00 C ATOM 136 C LEU A 4 67.647 -1.061 21.913 1.00 0.00 C ATOM 137 O LEU A 4 68.437 -0.612 22.743 1.00 0.00 O ATOM 138 CB LEU A 4 66.972 -3.304 22.777 1.00 0.00 C ATOM 139 CG LEU A 4 65.511 -2.876 22.935 1.00 0.00 C ATOM 140 CD1 LEU A 4 64.683 -3.450 21.783 1.00 0.00 C ATOM 141 CD2 LEU A 4 64.968 -3.408 24.264 1.00 0.00 C ATOM 0 H LEU A 4 69.493 -3.248 22.197 1.00 0.00 H new ATOM 0 HA LEU A 4 67.001 -2.708 20.708 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.030 -4.379 22.607 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.524 -3.096 23.694 1.00 0.00 H new ATOM 0 HG LEU A 4 65.447 -1.788 22.922 1.00 0.00 H new ATOM 0 HD11 LEU A 4 63.643 -3.145 21.896 1.00 0.00 H new ATOM 0 HD12 LEU A 4 65.070 -3.076 20.835 1.00 0.00 H new ATOM 0 HD13 LEU A 4 64.746 -4.538 21.797 1.00 0.00 H new ATOM 0 HD21 LEU A 4 63.927 -3.105 24.379 1.00 0.00 H new ATOM 0 HD22 LEU A 4 65.032 -4.496 24.274 1.00 0.00 H new ATOM 0 HD23 LEU A 4 65.557 -3.002 25.086 1.00 0.00 H new ATOM 153 N VAL A 5 66.791 -0.296 21.240 1.00 0.00 N ATOM 154 CA VAL A 5 66.730 1.150 21.446 1.00 0.00 C ATOM 155 C VAL A 5 65.305 1.581 21.804 1.00 0.00 C ATOM 156 O VAL A 5 64.364 0.815 21.590 1.00 0.00 O ATOM 157 CB VAL A 5 67.183 1.879 20.178 1.00 0.00 C ATOM 158 CG1 VAL A 5 68.638 1.518 19.875 1.00 0.00 C ATOM 159 CG2 VAL A 5 66.300 1.462 18.998 1.00 0.00 C ATOM 0 H VAL A 5 66.131 -0.652 20.548 1.00 0.00 H new ATOM 0 HA VAL A 5 67.395 1.410 22.270 1.00 0.00 H new ATOM 0 HB VAL A 5 67.097 2.955 20.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 68.961 2.037 18.972 1.00 0.00 H new ATOM 0 HG12 VAL A 5 69.269 1.818 20.712 1.00 0.00 H new ATOM 0 HG13 VAL A 5 68.722 0.442 19.725 1.00 0.00 H new ATOM 0 HG21 VAL A 5 66.626 1.983 18.098 1.00 0.00 H new ATOM 0 HG22 VAL A 5 66.382 0.386 18.844 1.00 0.00 H new ATOM 0 HG23 VAL A 5 65.263 1.720 19.211 1.00 0.00 H new ATOM 169 N PRO A 6 65.115 2.771 22.337 1.00 0.00 N ATOM 170 CA PRO A 6 63.748 3.248 22.708 1.00 0.00 C ATOM 171 C PRO A 6 62.815 3.299 21.501 1.00 0.00 C ATOM 172 O PRO A 6 63.266 3.352 20.358 1.00 0.00 O ATOM 173 CB PRO A 6 63.967 4.650 23.292 1.00 0.00 C ATOM 174 CG PRO A 6 65.414 4.720 23.642 1.00 0.00 C ATOM 175 CD PRO A 6 66.132 3.791 22.668 1.00 0.00 C ATOM 0 HA PRO A 6 63.268 2.573 23.416 1.00 0.00 H new ATOM 0 HB2 PRO A 6 63.701 5.421 22.569 1.00 0.00 H new ATOM 0 HB3 PRO A 6 63.343 4.809 24.172 1.00 0.00 H new ATOM 0 HG2 PRO A 6 65.787 5.740 23.554 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.581 4.408 24.673 1.00 0.00 H new ATOM 0 HD2 PRO A 6 66.467 4.325 21.779 1.00 0.00 H new ATOM 0 HD3 PRO A 6 67.016 3.342 23.121 1.00 0.00 H new ATOM 183 N ARG A 7 61.513 3.283 21.766 1.00 0.00 N ATOM 184 CA ARG A 7 60.524 3.329 20.695 1.00 0.00 C ATOM 185 C ARG A 7 60.657 4.623 19.899 1.00 0.00 C ATOM 186 O ARG A 7 61.007 5.668 20.447 1.00 0.00 O ATOM 187 CB ARG A 7 59.114 3.232 21.281 1.00 0.00 C ATOM 188 CG ARG A 7 58.932 1.869 21.952 1.00 0.00 C ATOM 189 CD ARG A 7 57.485 1.719 22.428 1.00 0.00 C ATOM 190 NE ARG A 7 57.131 2.812 23.339 1.00 0.00 N ATOM 191 CZ ARG A 7 55.951 2.894 23.974 1.00 0.00 C ATOM 192 NH1 ARG A 7 55.013 1.991 23.824 1.00 0.00 N ATOM 193 NH2 ARG A 7 55.731 3.908 24.765 1.00 0.00 N ATOM 0 H ARG A 7 61.120 3.239 22.706 1.00 0.00 H new ATOM 0 HA ARG A 7 60.699 2.485 20.028 1.00 0.00 H new ATOM 0 HB2 ARG A 7 58.954 4.030 22.006 1.00 0.00 H new ATOM 0 HB3 ARG A 7 58.372 3.363 20.494 1.00 0.00 H new ATOM 0 HG2 ARG A 7 59.179 1.072 21.251 1.00 0.00 H new ATOM 0 HG3 ARG A 7 59.615 1.774 22.796 1.00 0.00 H new ATOM 0 HD2 ARG A 7 56.812 1.719 21.571 1.00 0.00 H new ATOM 0 HD3 ARG A 7 57.359 0.761 22.933 1.00 0.00 H new ATOM 0 HE ARG A 7 57.818 3.549 23.499 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.167 1.193 23.208 1.00 0.00 H new ATOM 0 HH12 ARG A 7 54.129 2.087 24.323 1.00 0.00 H new ATOM 0 HH21 ARG A 7 56.449 4.621 24.892 1.00 0.00 H new ATOM 0 HH22 ARG A 7 54.841 3.988 25.256 1.00 0.00 H new ATOM 207 N GLY A 8 60.375 4.546 18.602 1.00 0.00 N ATOM 208 CA GLY A 8 60.460 5.720 17.740 1.00 0.00 C ATOM 209 C GLY A 8 59.860 5.433 16.367 1.00 0.00 C ATOM 210 O GLY A 8 59.344 4.344 16.121 1.00 0.00 O ATOM 0 H GLY A 8 60.088 3.690 18.128 1.00 0.00 H new ATOM 0 HA2 GLY A 8 59.934 6.555 18.203 1.00 0.00 H new ATOM 0 HA3 GLY A 8 61.502 6.021 17.630 1.00 0.00 H new ATOM 214 N SER A 9 59.930 6.420 15.478 1.00 0.00 N ATOM 215 CA SER A 9 59.390 6.273 14.130 1.00 0.00 C ATOM 216 C SER A 9 60.443 6.639 13.088 1.00 0.00 C ATOM 217 O SER A 9 61.234 7.560 13.289 1.00 0.00 O ATOM 218 CB SER A 9 58.169 7.176 13.958 1.00 0.00 C ATOM 219 OG SER A 9 57.583 6.933 12.686 1.00 0.00 O ATOM 0 H SER A 9 60.354 7.328 15.666 1.00 0.00 H new ATOM 0 HA SER A 9 59.098 5.233 13.987 1.00 0.00 H new ATOM 0 HB2 SER A 9 57.444 6.982 14.749 1.00 0.00 H new ATOM 0 HB3 SER A 9 58.461 8.223 14.043 1.00 0.00 H new ATOM 0 HG SER A 9 56.798 7.509 12.572 1.00 0.00 H new ATOM 225 N GLY A 10 60.446 5.911 11.976 1.00 0.00 N ATOM 226 CA GLY A 10 61.401 6.174 10.906 1.00 0.00 C ATOM 227 C GLY A 10 60.889 7.268 9.976 1.00 0.00 C ATOM 228 O GLY A 10 59.828 7.849 10.210 1.00 0.00 O ATOM 0 H GLY A 10 59.803 5.140 11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 10 62.358 6.473 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 10 61.577 5.261 10.337 1.00 0.00 H new ATOM 232 N MET A 11 61.648 7.544 8.919 1.00 0.00 N ATOM 233 CA MET A 11 61.263 8.571 7.953 1.00 0.00 C ATOM 234 C MET A 11 60.826 7.932 6.639 1.00 0.00 C ATOM 235 O MET A 11 61.378 6.915 6.218 1.00 0.00 O ATOM 236 CB MET A 11 62.444 9.510 7.696 1.00 0.00 C ATOM 237 CG MET A 11 62.816 10.230 8.992 1.00 0.00 C ATOM 238 SD MET A 11 64.057 11.502 8.640 1.00 0.00 S ATOM 239 CE MET A 11 62.956 12.665 7.797 1.00 0.00 C ATOM 0 H MET A 11 62.529 7.074 8.709 1.00 0.00 H new ATOM 0 HA MET A 11 60.428 9.138 8.364 1.00 0.00 H new ATOM 0 HB2 MET A 11 63.298 8.944 7.324 1.00 0.00 H new ATOM 0 HB3 MET A 11 62.184 10.236 6.926 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.930 10.684 9.436 1.00 0.00 H new ATOM 0 HG3 MET A 11 63.206 9.517 9.718 1.00 0.00 H new ATOM 0 HE1 MET A 11 63.055 13.652 8.249 1.00 0.00 H new ATOM 0 HE2 MET A 11 63.224 12.720 6.742 1.00 0.00 H new ATOM 0 HE3 MET A 11 61.925 12.324 7.892 1.00 0.00 H new ATOM 249 N LYS A 12 59.832 8.535 5.996 1.00 0.00 N ATOM 250 CA LYS A 12 59.326 8.016 4.730 1.00 0.00 C ATOM 251 C LYS A 12 60.243 8.419 3.580 1.00 0.00 C ATOM 252 O LYS A 12 60.672 9.569 3.489 1.00 0.00 O ATOM 253 CB LYS A 12 57.916 8.551 4.472 1.00 0.00 C ATOM 254 CG LYS A 12 57.330 7.869 3.236 1.00 0.00 C ATOM 255 CD LYS A 12 55.953 8.462 2.928 1.00 0.00 C ATOM 256 CE LYS A 12 55.300 7.675 1.790 1.00 0.00 C ATOM 257 NZ LYS A 12 55.910 8.080 0.493 1.00 0.00 N ATOM 0 H LYS A 12 59.363 9.378 6.327 1.00 0.00 H new ATOM 0 HA LYS A 12 59.296 6.928 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 12 57.281 8.365 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 12 57.947 9.631 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 12 57.995 8.005 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 12 57.245 6.796 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 12 55.323 8.426 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 12 56.051 9.511 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 55.435 6.605 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 12 54.226 7.862 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 55.455 7.558 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 55.774 9.101 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.927 7.864 0.505 1.00 0.00 H new ATOM 271 N GLU A 13 60.540 7.464 2.704 1.00 0.00 N ATOM 272 CA GLU A 13 61.402 7.732 1.560 1.00 0.00 C ATOM 273 C GLU A 13 60.826 8.858 0.708 1.00 0.00 C ATOM 274 O GLU A 13 59.609 8.984 0.570 1.00 0.00 O ATOM 275 CB GLU A 13 61.549 6.469 0.708 1.00 0.00 C ATOM 276 CG GLU A 13 62.209 5.364 1.540 1.00 0.00 C ATOM 277 CD GLU A 13 63.617 5.766 1.989 1.00 0.00 C ATOM 278 OE1 GLU A 13 64.185 6.682 1.411 1.00 0.00 O ATOM 279 OE2 GLU A 13 64.113 5.143 2.913 1.00 0.00 O ATOM 0 H GLU A 13 60.199 6.505 2.764 1.00 0.00 H new ATOM 0 HA GLU A 13 62.381 8.036 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 13 60.571 6.139 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 13 62.151 6.682 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 61.595 5.149 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 13 62.261 4.447 0.953 1.00 0.00 H new ATOM 286 N THR A 14 61.707 9.676 0.139 1.00 0.00 N ATOM 287 CA THR A 14 61.280 10.800 -0.690 1.00 0.00 C ATOM 288 C THR A 14 62.099 10.868 -1.977 1.00 0.00 C ATOM 289 O THR A 14 63.202 10.327 -2.052 1.00 0.00 O ATOM 290 CB THR A 14 61.414 12.108 0.099 1.00 0.00 C ATOM 291 OG1 THR A 14 60.921 13.184 -0.685 1.00 0.00 O ATOM 292 CG2 THR A 14 62.879 12.363 0.469 1.00 0.00 C ATOM 0 H THR A 14 62.718 9.583 0.236 1.00 0.00 H new ATOM 0 HA THR A 14 60.235 10.654 -0.963 1.00 0.00 H new ATOM 0 HB THR A 14 60.833 12.029 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 14 61.004 14.021 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 14 62.956 13.295 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.248 11.540 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 14 63.477 12.435 -0.440 1.00 0.00 H new ATOM 300 N ALA A 15 61.550 11.537 -2.986 1.00 0.00 N ATOM 301 CA ALA A 15 62.233 11.668 -4.268 1.00 0.00 C ATOM 302 C ALA A 15 63.552 12.414 -4.100 1.00 0.00 C ATOM 303 O ALA A 15 63.682 13.280 -3.235 1.00 0.00 O ATOM 304 CB ALA A 15 61.342 12.418 -5.260 1.00 0.00 C ATOM 0 H ALA A 15 60.639 11.994 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 15 62.441 10.669 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 15 61.859 12.512 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 15 60.413 11.867 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.118 13.411 -4.870 1.00 0.00 H new ATOM 310 N ALA A 16 64.528 12.072 -4.936 1.00 0.00 N ATOM 311 CA ALA A 16 65.836 12.715 -4.872 1.00 0.00 C ATOM 312 C ALA A 16 65.700 14.223 -5.061 1.00 0.00 C ATOM 313 O ALA A 16 64.821 14.691 -5.784 1.00 0.00 O ATOM 314 CB ALA A 16 66.752 12.143 -5.954 1.00 0.00 C ATOM 0 H ALA A 16 64.439 11.359 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 16 66.269 12.521 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 16 67.727 12.628 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 16 66.871 11.071 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 16 66.312 12.322 -6.935 1.00 0.00 H new ATOM 320 N ALA A 17 66.577 14.977 -4.406 1.00 0.00 N ATOM 321 CA ALA A 17 66.539 16.432 -4.496 1.00 0.00 C ATOM 322 C ALA A 17 67.574 16.939 -5.493 1.00 0.00 C ATOM 323 O ALA A 17 68.647 16.353 -5.642 1.00 0.00 O ATOM 324 CB ALA A 17 66.809 17.047 -3.121 1.00 0.00 C ATOM 0 H ALA A 17 67.318 14.607 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 17 65.548 16.728 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 17 66.779 18.134 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 17 66.048 16.711 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 17 67.792 16.735 -2.769 1.00 0.00 H new ATOM 330 N LYS A 18 67.245 18.032 -6.175 1.00 0.00 N ATOM 331 CA LYS A 18 68.152 18.611 -7.160 1.00 0.00 C ATOM 332 C LYS A 18 69.121 19.577 -6.488 1.00 0.00 C ATOM 333 O LYS A 18 68.830 20.125 -5.425 1.00 0.00 O ATOM 334 CB LYS A 18 67.359 19.355 -8.239 1.00 0.00 C ATOM 335 CG LYS A 18 66.332 18.419 -8.885 1.00 0.00 C ATOM 336 CD LYS A 18 67.051 17.278 -9.610 1.00 0.00 C ATOM 337 CE LYS A 18 66.033 16.461 -10.409 1.00 0.00 C ATOM 338 NZ LYS A 18 66.731 15.732 -11.506 1.00 0.00 N ATOM 0 H LYS A 18 66.363 18.532 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 18 68.717 17.801 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 18 66.852 20.214 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 18 68.039 19.740 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 65.666 18.015 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 18 65.712 18.975 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 67.814 17.680 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 18 67.561 16.639 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 18 65.524 15.754 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 18 65.269 17.118 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 66.039 15.177 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 67.197 16.416 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 67.445 15.094 -11.100 1.00 0.00 H new ATOM 352 N PHE A 19 70.276 19.781 -7.115 1.00 0.00 N ATOM 353 CA PHE A 19 71.286 20.676 -6.561 1.00 0.00 C ATOM 354 C PHE A 19 71.152 22.070 -7.165 1.00 0.00 C ATOM 355 O PHE A 19 71.056 22.225 -8.382 1.00 0.00 O ATOM 356 CB PHE A 19 72.684 20.125 -6.849 1.00 0.00 C ATOM 357 CG PHE A 19 73.790 20.929 -6.209 1.00 0.00 C ATOM 358 CD1 PHE A 19 74.168 20.672 -4.885 1.00 0.00 C ATOM 359 CD2 PHE A 19 74.440 21.931 -6.940 1.00 0.00 C ATOM 360 CE1 PHE A 19 75.194 21.417 -4.293 1.00 0.00 C ATOM 361 CE2 PHE A 19 75.467 22.675 -6.348 1.00 0.00 C ATOM 362 CZ PHE A 19 75.844 22.419 -5.024 1.00 0.00 C ATOM 0 H PHE A 19 70.534 19.343 -7.999 1.00 0.00 H new ATOM 0 HA PHE A 19 71.137 20.743 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 19 72.741 19.096 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 19 72.841 20.099 -7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 19 73.668 19.899 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 19 74.149 22.130 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 19 75.485 21.219 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 19 75.969 23.447 -6.913 1.00 0.00 H new ATOM 0 HZ PHE A 19 76.636 22.994 -4.567 1.00 0.00 H new ATOM 372 N GLU A 20 71.148 23.084 -6.302 1.00 0.00 N ATOM 373 CA GLU A 20 71.014 24.467 -6.748 1.00 0.00 C ATOM 374 C GLU A 20 72.317 25.228 -6.526 1.00 0.00 C ATOM 375 O GLU A 20 73.155 24.824 -5.719 1.00 0.00 O ATOM 376 CB GLU A 20 69.885 25.162 -5.982 1.00 0.00 C ATOM 377 CG GLU A 20 68.546 24.481 -6.294 1.00 0.00 C ATOM 378 CD GLU A 20 68.388 23.169 -5.521 1.00 0.00 C ATOM 379 OE1 GLU A 20 69.084 22.978 -4.535 1.00 0.00 O ATOM 380 OE2 GLU A 20 67.566 22.368 -5.932 1.00 0.00 O ATOM 0 H GLU A 20 71.236 22.973 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 20 70.780 24.461 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 20 70.082 25.122 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 20 69.841 26.215 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 20 67.727 25.154 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 20 68.478 24.284 -7.364 1.00 0.00 H new ATOM 387 N ARG A 21 72.482 26.333 -7.247 1.00 0.00 N ATOM 388 CA ARG A 21 73.686 27.146 -7.119 1.00 0.00 C ATOM 389 C ARG A 21 73.790 27.728 -5.713 1.00 0.00 C ATOM 390 O ARG A 21 72.780 28.059 -5.092 1.00 0.00 O ATOM 391 CB ARG A 21 73.660 28.282 -8.143 1.00 0.00 C ATOM 392 CG ARG A 21 74.993 29.030 -8.112 1.00 0.00 C ATOM 393 CD ARG A 21 74.944 30.203 -9.094 1.00 0.00 C ATOM 394 NE ARG A 21 76.253 30.858 -9.169 1.00 0.00 N ATOM 395 CZ ARG A 21 76.657 31.587 -10.220 1.00 0.00 C ATOM 396 NH1 ARG A 21 75.901 31.772 -11.276 1.00 0.00 N ATOM 397 NH2 ARG A 21 77.843 32.131 -10.192 1.00 0.00 N ATOM 0 H ARG A 21 71.802 26.684 -7.921 1.00 0.00 H new ATOM 0 HA ARG A 21 74.553 26.511 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 21 73.479 27.882 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 21 72.842 28.967 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 21 75.195 29.394 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 21 75.807 28.355 -8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 21 74.651 29.847 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 21 74.188 30.921 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 21 76.891 30.754 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 21 74.971 31.355 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 21 76.243 32.333 -12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 21 78.446 31.998 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 21 78.167 32.689 -10.982 1.00 0.00 H new ATOM 411 N GLN A 22 75.017 27.848 -5.216 1.00 0.00 N ATOM 412 CA GLN A 22 75.242 28.370 -3.871 1.00 0.00 C ATOM 413 C GLN A 22 76.460 29.290 -3.838 1.00 0.00 C ATOM 414 O GLN A 22 77.267 29.305 -4.767 1.00 0.00 O ATOM 415 CB GLN A 22 75.422 27.207 -2.887 1.00 0.00 C ATOM 416 CG GLN A 22 76.663 26.386 -3.253 1.00 0.00 C ATOM 417 CD GLN A 22 76.816 25.214 -2.289 1.00 0.00 C ATOM 418 OE1 GLN A 22 76.169 24.182 -2.459 1.00 0.00 O ATOM 419 NE2 GLN A 22 77.639 25.314 -1.281 1.00 0.00 N ATOM 0 H GLN A 22 75.866 27.593 -5.720 1.00 0.00 H new ATOM 0 HA GLN A 22 74.372 28.957 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 22 75.519 27.593 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 22 74.538 26.569 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 22 76.577 26.018 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 22 77.551 27.017 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 22 78.174 26.171 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 22 77.747 24.535 -0.632 1.00 0.00 H new ATOM 428 N HIS A 23 76.582 30.059 -2.759 1.00 0.00 N ATOM 429 CA HIS A 23 77.698 30.987 -2.603 1.00 0.00 C ATOM 430 C HIS A 23 78.650 30.496 -1.517 1.00 0.00 C ATOM 431 O HIS A 23 78.224 29.893 -0.532 1.00 0.00 O ATOM 432 CB HIS A 23 77.173 32.375 -2.232 1.00 0.00 C ATOM 433 CG HIS A 23 76.260 32.966 -3.271 1.00 0.00 C ATOM 434 ND1 HIS A 23 76.724 33.398 -4.504 1.00 0.00 N ATOM 435 CD2 HIS A 23 74.907 33.204 -3.277 1.00 0.00 C ATOM 436 CE1 HIS A 23 75.670 33.869 -5.193 1.00 0.00 C ATOM 437 NE2 HIS A 23 74.537 33.774 -4.492 1.00 0.00 N ATOM 0 H HIS A 23 75.923 30.058 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 23 78.237 31.043 -3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 23 76.639 32.312 -1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 23 78.018 33.046 -2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 23 74.233 32.983 -2.463 1.00 0.00 H new ATOM 0 HE1 HIS A 23 75.732 34.275 -6.192 1.00 0.00 H new ATOM 0 HE2 HIS A 23 73.602 34.058 -4.784 1.00 0.00 H new ATOM 445 N MET A 24 79.939 30.759 -1.702 1.00 0.00 N ATOM 446 CA MET A 24 80.944 30.315 -0.742 1.00 0.00 C ATOM 447 C MET A 24 80.997 31.265 0.450 1.00 0.00 C ATOM 448 O MET A 24 81.026 32.486 0.286 1.00 0.00 O ATOM 449 CB MET A 24 82.321 30.265 -1.411 1.00 0.00 C ATOM 450 CG MET A 24 82.295 29.323 -2.621 1.00 0.00 C ATOM 451 SD MET A 24 81.802 27.654 -2.118 1.00 0.00 S ATOM 452 CE MET A 24 83.199 27.317 -1.019 1.00 0.00 C ATOM 0 H MET A 24 80.311 31.273 -2.501 1.00 0.00 H new ATOM 0 HA MET A 24 80.671 29.319 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 24 82.615 31.266 -1.728 1.00 0.00 H new ATOM 0 HB3 MET A 24 83.068 29.925 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 24 81.600 29.703 -3.370 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.280 29.292 -3.086 1.00 0.00 H new ATOM 0 HE1 MET A 24 83.500 26.274 -1.122 1.00 0.00 H new ATOM 0 HE2 MET A 24 84.035 27.964 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 24 82.905 27.509 0.013 1.00 0.00 H new ATOM 462 N ASP A 25 81.009 30.695 1.651 1.00 0.00 N ATOM 463 CA ASP A 25 81.053 31.495 2.870 1.00 0.00 C ATOM 464 C ASP A 25 82.411 32.172 3.023 1.00 0.00 C ATOM 465 O ASP A 25 83.432 31.649 2.577 1.00 0.00 O ATOM 466 CB ASP A 25 80.785 30.605 4.087 1.00 0.00 C ATOM 467 CG ASP A 25 79.377 30.018 4.023 1.00 0.00 C ATOM 468 OD1 ASP A 25 78.502 30.666 3.470 1.00 0.00 O ATOM 469 OD2 ASP A 25 79.192 28.924 4.531 1.00 0.00 O ATOM 0 H ASP A 25 80.989 29.687 1.806 1.00 0.00 H new ATOM 0 HA ASP A 25 80.284 32.265 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.519 29.800 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.902 31.186 5.002 1.00 0.00 H new ATOM 474 N SER A 26 82.413 33.341 3.656 1.00 0.00 N ATOM 475 CA SER A 26 83.652 34.081 3.873 1.00 0.00 C ATOM 476 C SER A 26 84.660 33.223 4.640 1.00 0.00 C ATOM 477 O SER A 26 84.257 32.314 5.368 1.00 0.00 O ATOM 478 CB SER A 26 83.362 35.360 4.660 1.00 0.00 C ATOM 479 OG SER A 26 82.129 35.913 4.218 1.00 0.00 O ATOM 0 H SER A 26 81.577 33.794 4.025 1.00 0.00 H new ATOM 0 HA SER A 26 84.077 34.340 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 26 83.314 35.142 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 26 84.168 36.079 4.518 1.00 0.00 H new ATOM 0 HG SER A 26 81.939 36.732 4.721 1.00 0.00 H new ATOM 485 N PRO A 27 85.947 33.477 4.505 1.00 0.00 N ATOM 486 CA PRO A 27 86.979 32.656 5.210 1.00 0.00 C ATOM 487 C PRO A 27 86.812 32.707 6.726 1.00 0.00 C ATOM 488 O PRO A 27 86.706 33.784 7.315 1.00 0.00 O ATOM 489 CB PRO A 27 88.321 33.261 4.778 1.00 0.00 C ATOM 490 CG PRO A 27 88.003 34.620 4.257 1.00 0.00 C ATOM 491 CD PRO A 27 86.583 34.543 3.704 1.00 0.00 C ATOM 0 HA PRO A 27 86.898 31.601 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 27 89.014 33.316 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 27 88.797 32.650 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 27 88.072 35.366 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 27 88.708 34.913 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 27 86.059 35.492 3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 27 86.581 34.300 2.642 1.00 0.00 H new ATOM 499 N ASP A 28 86.790 31.534 7.350 1.00 0.00 N ATOM 500 CA ASP A 28 86.626 31.447 8.797 1.00 0.00 C ATOM 501 C ASP A 28 87.843 32.022 9.515 1.00 0.00 C ATOM 502 O ASP A 28 88.962 31.964 9.005 1.00 0.00 O ATOM 503 CB ASP A 28 86.429 29.986 9.212 1.00 0.00 C ATOM 504 CG ASP A 28 85.142 29.427 8.611 1.00 0.00 C ATOM 505 OD1 ASP A 28 84.209 30.191 8.422 1.00 0.00 O ATOM 506 OD2 ASP A 28 85.108 28.236 8.347 1.00 0.00 O ATOM 0 H ASP A 28 86.883 30.634 6.879 1.00 0.00 H new ATOM 0 HA ASP A 28 85.748 32.028 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 28 87.280 29.390 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 28 86.391 29.913 10.299 1.00 0.00 H new ATOM 511 N LEU A 29 87.614 32.576 10.700 1.00 0.00 N ATOM 512 CA LEU A 29 88.698 33.156 11.486 1.00 0.00 C ATOM 513 C LEU A 29 89.424 32.069 12.273 1.00 0.00 C ATOM 514 O LEU A 29 88.822 31.074 12.677 1.00 0.00 O ATOM 515 CB LEU A 29 88.147 34.206 12.455 1.00 0.00 C ATOM 516 CG LEU A 29 87.378 35.283 11.684 1.00 0.00 C ATOM 517 CD1 LEU A 29 86.759 36.272 12.672 1.00 0.00 C ATOM 518 CD2 LEU A 29 88.335 36.036 10.754 1.00 0.00 C ATOM 0 H LEU A 29 86.694 32.636 11.136 1.00 0.00 H new ATOM 0 HA LEU A 29 89.401 33.632 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 87.490 33.731 13.183 1.00 0.00 H new ATOM 0 HB3 LEU A 29 88.965 34.662 13.013 1.00 0.00 H new ATOM 0 HG LEU A 29 86.593 34.810 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 29 86.211 37.039 12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 29 86.076 35.743 13.336 1.00 0.00 H new ATOM 0 HD13 LEU A 29 87.548 36.740 13.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 87.784 36.801 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 29 89.121 36.507 11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 29 88.782 35.336 10.048 1.00 0.00 H new ATOM 530 N GLY A 30 90.721 32.266 12.487 1.00 0.00 N ATOM 531 CA GLY A 30 91.524 31.284 13.207 1.00 0.00 C ATOM 532 C GLY A 30 91.332 31.417 14.715 1.00 0.00 C ATOM 533 O GLY A 30 90.548 32.244 15.181 1.00 0.00 O ATOM 0 H GLY A 30 91.235 33.090 12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 30 91.246 30.279 12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 30 92.577 31.418 12.958 1.00 0.00 H new ATOM 537 N THR A 31 92.054 30.594 15.472 1.00 0.00 N ATOM 538 CA THR A 31 91.953 30.605 16.930 1.00 0.00 C ATOM 539 C THR A 31 93.319 30.855 17.557 1.00 0.00 C ATOM 540 O THR A 31 94.345 30.794 16.881 1.00 0.00 O ATOM 541 CB THR A 31 91.401 29.266 17.430 1.00 0.00 C ATOM 542 OG1 THR A 31 92.315 28.228 17.101 1.00 0.00 O ATOM 543 CG2 THR A 31 90.045 28.983 16.778 1.00 0.00 C ATOM 0 H THR A 31 92.715 29.912 15.101 1.00 0.00 H new ATOM 0 HA THR A 31 91.275 31.408 17.221 1.00 0.00 H new ATOM 0 HB THR A 31 91.272 29.311 18.511 1.00 0.00 H new ATOM 0 HG1 THR A 31 91.965 27.370 17.421 1.00 0.00 H new ATOM 0 HG21 THR A 31 89.660 28.029 17.139 1.00 0.00 H new ATOM 0 HG22 THR A 31 89.345 29.778 17.035 1.00 0.00 H new ATOM 0 HG23 THR A 31 90.164 28.940 15.695 1.00 0.00 H new ATOM 551 N ASP A 32 93.324 31.138 18.857 1.00 0.00 N ATOM 552 CA ASP A 32 94.570 31.402 19.566 1.00 0.00 C ATOM 553 C ASP A 32 95.439 30.148 19.620 1.00 0.00 C ATOM 554 O ASP A 32 95.059 29.096 19.107 1.00 0.00 O ATOM 555 CB ASP A 32 94.270 31.892 20.988 1.00 0.00 C ATOM 556 CG ASP A 32 93.445 30.870 21.775 1.00 0.00 C ATOM 557 OD1 ASP A 32 93.391 29.716 21.377 1.00 0.00 O ATOM 558 OD2 ASP A 32 92.872 31.263 22.778 1.00 0.00 O ATOM 0 H ASP A 32 92.486 31.190 19.436 1.00 0.00 H new ATOM 0 HA ASP A 32 95.115 32.176 19.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 95.206 32.085 21.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 93.730 32.838 20.941 1.00 0.00 H new ATOM 563 N ASP A 33 96.606 30.270 20.244 1.00 0.00 N ATOM 564 CA ASP A 33 97.533 29.147 20.335 1.00 0.00 C ATOM 565 C ASP A 33 97.009 28.083 21.296 1.00 0.00 C ATOM 566 O ASP A 33 96.032 28.306 22.013 1.00 0.00 O ATOM 567 CB ASP A 33 98.907 29.639 20.800 1.00 0.00 C ATOM 568 CG ASP A 33 98.827 30.342 22.158 1.00 0.00 C ATOM 569 OD1 ASP A 33 97.845 30.161 22.863 1.00 0.00 O ATOM 570 OD2 ASP A 33 99.761 31.058 22.477 1.00 0.00 O ATOM 0 H ASP A 33 96.931 31.127 20.691 1.00 0.00 H new ATOM 0 HA ASP A 33 97.626 28.699 19.345 1.00 0.00 H new ATOM 0 HB2 ASP A 33 99.592 28.794 20.867 1.00 0.00 H new ATOM 0 HB3 ASP A 33 99.318 30.325 20.059 1.00 0.00 H new ATOM 575 N ASP A 34 97.666 26.929 21.305 1.00 0.00 N ATOM 576 CA ASP A 34 97.258 25.832 22.175 1.00 0.00 C ATOM 577 C ASP A 34 97.816 26.014 23.582 1.00 0.00 C ATOM 578 O ASP A 34 98.590 26.938 23.840 1.00 0.00 O ATOM 579 CB ASP A 34 97.737 24.496 21.592 1.00 0.00 C ATOM 580 CG ASP A 34 99.258 24.467 21.422 1.00 0.00 C ATOM 581 OD1 ASP A 34 99.940 25.281 22.025 1.00 0.00 O ATOM 582 OD2 ASP A 34 99.724 23.618 20.679 1.00 0.00 O ATOM 0 H ASP A 34 98.479 26.729 20.723 1.00 0.00 H new ATOM 0 HA ASP A 34 96.170 25.831 22.236 1.00 0.00 H new ATOM 0 HB2 ASP A 34 97.428 23.681 22.247 1.00 0.00 H new ATOM 0 HB3 ASP A 34 97.259 24.328 20.627 1.00 0.00 H new ATOM 587 N ASP A 35 97.416 25.129 24.489 1.00 0.00 N ATOM 588 CA ASP A 35 97.886 25.194 25.868 1.00 0.00 C ATOM 589 C ASP A 35 99.335 24.727 25.970 1.00 0.00 C ATOM 590 O ASP A 35 99.985 24.466 24.959 1.00 0.00 O ATOM 591 CB ASP A 35 96.992 24.329 26.766 1.00 0.00 C ATOM 592 CG ASP A 35 96.973 22.869 26.306 1.00 0.00 C ATOM 593 OD1 ASP A 35 97.852 22.470 25.556 1.00 0.00 O ATOM 594 OD2 ASP A 35 96.068 22.162 26.717 1.00 0.00 O ATOM 0 H ASP A 35 96.771 24.363 24.296 1.00 0.00 H new ATOM 0 HA ASP A 35 97.835 26.231 26.201 1.00 0.00 H new ATOM 0 HB2 ASP A 35 97.349 24.382 27.795 1.00 0.00 H new ATOM 0 HB3 ASP A 35 95.977 24.726 26.760 1.00 0.00 H new ATOM 599 N LYS A 36 99.835 24.627 27.198 1.00 0.00 N ATOM 600 CA LYS A 36 101.211 24.198 27.420 1.00 0.00 C ATOM 601 C LYS A 36 101.341 22.692 27.221 1.00 0.00 C ATOM 602 O LYS A 36 100.383 21.945 27.425 1.00 0.00 O ATOM 603 CB LYS A 36 101.650 24.567 28.838 1.00 0.00 C ATOM 604 CG LYS A 36 101.538 26.082 29.032 1.00 0.00 C ATOM 605 CD LYS A 36 102.208 26.486 30.348 1.00 0.00 C ATOM 606 CE LYS A 36 101.450 25.871 31.528 1.00 0.00 C ATOM 607 NZ LYS A 36 101.957 24.493 31.785 1.00 0.00 N ATOM 0 H LYS A 36 99.312 24.836 28.049 1.00 0.00 H new ATOM 0 HA LYS A 36 101.851 24.705 26.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 101.028 24.050 29.568 1.00 0.00 H new ATOM 0 HB3 LYS A 36 102.677 24.243 29.008 1.00 0.00 H new ATOM 0 HG2 LYS A 36 102.011 26.601 28.198 1.00 0.00 H new ATOM 0 HG3 LYS A 36 100.490 26.381 29.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 103.245 26.151 30.356 1.00 0.00 H new ATOM 0 HD3 LYS A 36 102.223 27.572 30.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 101.579 26.488 32.417 1.00 0.00 H new ATOM 0 HE3 LYS A 36 100.382 25.842 31.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 101.201 23.804 31.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 102.765 24.298 31.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 102.260 24.414 32.777 1.00 0.00 H new ATOM 621 N THR A 37 102.530 22.252 26.822 1.00 0.00 N ATOM 622 CA THR A 37 102.768 20.834 26.582 1.00 0.00 C ATOM 623 C THR A 37 102.795 20.064 27.898 1.00 0.00 C ATOM 624 O THR A 37 103.398 20.506 28.875 1.00 0.00 O ATOM 625 CB THR A 37 104.098 20.645 25.849 1.00 0.00 C ATOM 626 OG1 THR A 37 104.109 21.446 24.676 1.00 0.00 O ATOM 627 CG2 THR A 37 104.270 19.174 25.466 1.00 0.00 C ATOM 0 H THR A 37 103.338 22.852 26.659 1.00 0.00 H new ATOM 0 HA THR A 37 101.956 20.448 25.966 1.00 0.00 H new ATOM 0 HB THR A 37 104.917 20.945 26.502 1.00 0.00 H new ATOM 0 HG1 THR A 37 104.961 21.327 24.207 1.00 0.00 H new ATOM 0 HG21 THR A 37 105.218 19.042 24.944 1.00 0.00 H new ATOM 0 HG22 THR A 37 104.263 18.560 26.367 1.00 0.00 H new ATOM 0 HG23 THR A 37 103.451 18.870 24.814 1.00 0.00 H new ATOM 635 N GLY A 38 102.135 18.909 27.914 1.00 0.00 N ATOM 636 CA GLY A 38 102.079 18.076 29.112 1.00 0.00 C ATOM 637 C GLY A 38 102.754 16.730 28.870 1.00 0.00 C ATOM 638 O GLY A 38 103.686 16.626 28.073 1.00 0.00 O ATOM 0 H GLY A 38 101.632 18.529 27.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 102.568 18.589 29.940 1.00 0.00 H new ATOM 0 HA3 GLY A 38 101.040 17.920 29.403 1.00 0.00 H new ATOM 642 N GLY A 39 102.277 15.702 29.565 1.00 0.00 N ATOM 643 CA GLY A 39 102.841 14.365 29.416 1.00 0.00 C ATOM 644 C GLY A 39 102.282 13.675 28.176 1.00 0.00 C ATOM 645 O GLY A 39 101.560 14.285 27.388 1.00 0.00 O ATOM 0 H GLY A 39 101.508 15.768 30.232 1.00 0.00 H new ATOM 0 HA2 GLY A 39 103.927 14.430 29.343 1.00 0.00 H new ATOM 0 HA3 GLY A 39 102.616 13.770 30.301 1.00 0.00 H new ATOM 649 N GLY A 40 102.623 12.402 28.007 1.00 0.00 N ATOM 650 CA GLY A 40 102.162 11.648 26.848 1.00 0.00 C ATOM 651 C GLY A 40 100.736 11.146 27.052 1.00 0.00 C ATOM 652 O GLY A 40 100.129 11.381 28.097 1.00 0.00 O ATOM 0 H GLY A 40 103.212 11.875 28.652 1.00 0.00 H new ATOM 0 HA2 GLY A 40 102.206 12.278 25.960 1.00 0.00 H new ATOM 0 HA3 GLY A 40 102.827 10.802 26.672 1.00 0.00 H new ATOM 656 N ARG A 41 100.209 10.454 26.046 1.00 0.00 N ATOM 657 CA ARG A 41 98.849 9.927 26.108 1.00 0.00 C ATOM 658 C ARG A 41 98.844 8.430 25.814 1.00 0.00 C ATOM 659 O ARG A 41 99.760 7.911 25.178 1.00 0.00 O ATOM 660 CB ARG A 41 97.965 10.646 25.087 1.00 0.00 C ATOM 661 CG ARG A 41 97.897 12.136 25.424 1.00 0.00 C ATOM 662 CD ARG A 41 96.933 12.833 24.462 1.00 0.00 C ATOM 663 NE ARG A 41 97.013 14.287 24.627 1.00 0.00 N ATOM 664 CZ ARG A 41 97.889 15.061 23.966 1.00 0.00 C ATOM 665 NH1 ARG A 41 98.756 14.567 23.115 1.00 0.00 N ATOM 666 NH2 ARG A 41 97.878 16.348 24.179 1.00 0.00 N ATOM 0 H ARG A 41 100.703 10.245 25.178 1.00 0.00 H new ATOM 0 HA ARG A 41 98.459 10.094 27.112 1.00 0.00 H new ATOM 0 HB2 ARG A 41 98.366 10.508 24.083 1.00 0.00 H new ATOM 0 HB3 ARG A 41 96.963 10.216 25.092 1.00 0.00 H new ATOM 0 HG2 ARG A 41 97.563 12.272 26.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 98.889 12.582 25.349 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.175 12.563 23.434 1.00 0.00 H new ATOM 0 HD3 ARG A 41 95.914 12.494 24.649 1.00 0.00 H new ATOM 0 HE ARG A 41 96.369 14.735 25.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 98.780 13.563 22.937 1.00 0.00 H new ATOM 0 HH12 ARG A 41 99.406 15.187 22.632 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.212 16.750 24.838 1.00 0.00 H new ATOM 0 HH22 ARG A 41 98.536 16.952 23.686 1.00 0.00 H new ATOM 680 N ALA A 42 97.806 7.741 26.280 1.00 0.00 N ATOM 681 CA ALA A 42 97.674 6.311 26.025 1.00 0.00 C ATOM 682 C ALA A 42 97.667 6.041 24.524 1.00 0.00 C ATOM 683 O ALA A 42 97.219 6.877 23.739 1.00 0.00 O ATOM 684 CB ALA A 42 96.380 5.785 26.648 1.00 0.00 C ATOM 0 H ALA A 42 97.050 8.146 26.832 1.00 0.00 H new ATOM 0 HA ALA A 42 98.524 5.797 26.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 96.290 4.716 26.452 1.00 0.00 H new ATOM 0 HB2 ALA A 42 96.398 5.957 27.724 1.00 0.00 H new ATOM 0 HB3 ALA A 42 95.528 6.307 26.212 1.00 0.00 H new ATOM 690 N ASP A 43 98.166 4.873 24.128 1.00 0.00 N ATOM 691 CA ASP A 43 98.264 4.542 22.710 1.00 0.00 C ATOM 692 C ASP A 43 96.881 4.619 22.049 1.00 0.00 C ATOM 693 O ASP A 43 95.918 4.102 22.619 1.00 0.00 O ATOM 694 CB ASP A 43 98.822 3.127 22.549 1.00 0.00 C ATOM 695 CG ASP A 43 100.173 3.016 23.247 1.00 0.00 C ATOM 696 OD1 ASP A 43 100.218 3.229 24.447 1.00 0.00 O ATOM 697 OD2 ASP A 43 101.144 2.719 22.570 1.00 0.00 O ATOM 0 H ASP A 43 98.505 4.148 24.760 1.00 0.00 H new ATOM 0 HA ASP A 43 98.930 5.258 22.229 1.00 0.00 H new ATOM 0 HB2 ASP A 43 98.125 2.402 22.970 1.00 0.00 H new ATOM 0 HB3 ASP A 43 98.929 2.888 21.491 1.00 0.00 H new ATOM 702 N PRO A 44 96.736 5.229 20.889 1.00 0.00 N ATOM 703 CA PRO A 44 95.413 5.320 20.209 1.00 0.00 C ATOM 704 C PRO A 44 95.199 4.190 19.207 1.00 0.00 C ATOM 705 O PRO A 44 95.974 3.235 19.157 1.00 0.00 O ATOM 706 CB PRO A 44 95.500 6.667 19.496 1.00 0.00 C ATOM 707 CG PRO A 44 96.939 6.815 19.125 1.00 0.00 C ATOM 708 CD PRO A 44 97.751 5.924 20.073 1.00 0.00 C ATOM 0 HA PRO A 44 94.577 5.236 20.903 1.00 0.00 H new ATOM 0 HB2 PRO A 44 94.861 6.689 18.614 1.00 0.00 H new ATOM 0 HB3 PRO A 44 95.174 7.479 20.146 1.00 0.00 H new ATOM 0 HG2 PRO A 44 97.100 6.520 18.088 1.00 0.00 H new ATOM 0 HG3 PRO A 44 97.253 7.855 19.213 1.00 0.00 H new ATOM 0 HD2 PRO A 44 98.368 5.216 19.520 1.00 0.00 H new ATOM 0 HD3 PRO A 44 98.423 6.515 20.695 1.00 0.00 H new ATOM 716 N ALA A 45 94.142 4.309 18.411 1.00 0.00 N ATOM 717 CA ALA A 45 93.856 3.317 17.382 1.00 0.00 C ATOM 718 C ALA A 45 94.808 3.490 16.202 1.00 0.00 C ATOM 719 O ALA A 45 95.735 4.299 16.256 1.00 0.00 O ATOM 720 CB ALA A 45 92.410 3.462 16.903 1.00 0.00 C ATOM 0 H ALA A 45 93.473 5.078 18.458 1.00 0.00 H new ATOM 0 HA ALA A 45 93.996 2.323 17.807 1.00 0.00 H new ATOM 0 HB1 ALA A 45 92.205 2.717 16.134 1.00 0.00 H new ATOM 0 HB2 ALA A 45 91.732 3.313 17.743 1.00 0.00 H new ATOM 0 HB3 ALA A 45 92.262 4.460 16.490 1.00 0.00 H new ATOM 726 N HIS A 46 94.577 2.728 15.137 1.00 0.00 N ATOM 727 CA HIS A 46 95.422 2.805 13.948 1.00 0.00 C ATOM 728 C HIS A 46 94.679 3.497 12.808 1.00 0.00 C ATOM 729 O HIS A 46 93.488 3.264 12.600 1.00 0.00 O ATOM 730 CB HIS A 46 95.832 1.398 13.510 1.00 0.00 C ATOM 731 CG HIS A 46 96.639 0.662 14.546 1.00 0.00 C ATOM 732 ND1 HIS A 46 97.926 1.042 14.886 1.00 0.00 N ATOM 733 CD2 HIS A 46 96.353 -0.433 15.324 1.00 0.00 C ATOM 734 CE1 HIS A 46 98.366 0.190 15.830 1.00 0.00 C ATOM 735 NE2 HIS A 46 97.446 -0.728 16.135 1.00 0.00 N ATOM 0 H HIS A 46 93.815 2.053 15.072 1.00 0.00 H new ATOM 0 HA HIS A 46 96.312 3.385 14.193 1.00 0.00 H new ATOM 0 HB2 HIS A 46 94.936 0.821 13.281 1.00 0.00 H new ATOM 0 HB3 HIS A 46 96.412 1.466 12.589 1.00 0.00 H new ATOM 0 HD2 HIS A 46 95.423 -0.981 15.309 1.00 0.00 H new ATOM 0 HE1 HIS A 46 99.344 0.242 16.285 1.00 0.00 H new ATOM 0 HE2 HIS A 46 97.526 -1.483 16.816 1.00 0.00 H new ATOM 743 N ARG A 47 95.391 4.346 12.075 1.00 0.00 N ATOM 744 CA ARG A 47 94.790 5.083 10.967 1.00 0.00 C ATOM 745 C ARG A 47 95.197 4.471 9.631 1.00 0.00 C ATOM 746 O ARG A 47 96.331 4.020 9.462 1.00 0.00 O ATOM 747 CB ARG A 47 95.234 6.546 11.016 1.00 0.00 C ATOM 748 CG ARG A 47 94.479 7.347 9.954 1.00 0.00 C ATOM 749 CD ARG A 47 94.858 8.824 10.062 1.00 0.00 C ATOM 750 NE ARG A 47 96.251 9.023 9.648 1.00 0.00 N ATOM 751 CZ ARG A 47 97.022 10.024 10.099 1.00 0.00 C ATOM 752 NH1 ARG A 47 96.582 10.914 10.955 1.00 0.00 N ATOM 753 NH2 ARG A 47 98.252 10.114 9.672 1.00 0.00 N ATOM 0 H ARG A 47 96.381 4.541 12.226 1.00 0.00 H new ATOM 0 HA ARG A 47 93.706 5.027 11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 47 95.042 6.962 12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 47 96.308 6.617 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 47 94.720 6.971 8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 47 93.404 7.226 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 94.196 9.423 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 47 94.724 9.167 11.088 1.00 0.00 H new ATOM 0 HE ARG A 47 96.655 8.365 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 47 95.624 10.859 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 47 97.198 11.661 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 47 98.612 9.430 9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 47 98.853 10.868 10.004 1.00 0.00 H new ATOM 767 N SER A 48 94.264 4.458 8.685 1.00 0.00 N ATOM 768 CA SER A 48 94.531 3.888 7.368 1.00 0.00 C ATOM 769 C SER A 48 95.501 4.773 6.582 1.00 0.00 C ATOM 770 O SER A 48 95.570 5.977 6.832 1.00 0.00 O ATOM 771 CB SER A 48 93.223 3.744 6.589 1.00 0.00 C ATOM 772 OG SER A 48 92.394 4.867 6.855 1.00 0.00 O ATOM 0 H SER A 48 93.323 4.833 8.803 1.00 0.00 H new ATOM 0 HA SER A 48 94.985 2.906 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 48 93.428 3.673 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 48 92.714 2.825 6.877 1.00 0.00 H new ATOM 0 HG SER A 48 91.555 4.780 6.356 1.00 0.00 H new ATOM 778 N PRO A 49 96.248 4.222 5.645 1.00 0.00 N ATOM 779 CA PRO A 49 97.213 5.033 4.842 1.00 0.00 C ATOM 780 C PRO A 49 96.564 6.285 4.258 1.00 0.00 C ATOM 781 O PRO A 49 95.422 6.248 3.801 1.00 0.00 O ATOM 782 CB PRO A 49 97.666 4.090 3.725 1.00 0.00 C ATOM 783 CG PRO A 49 97.466 2.716 4.265 1.00 0.00 C ATOM 784 CD PRO A 49 96.286 2.801 5.231 1.00 0.00 C ATOM 0 HA PRO A 49 98.039 5.394 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 97.081 4.245 2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 49 98.710 4.262 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 97.260 2.009 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 49 98.362 2.365 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 49 95.355 2.503 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 49 96.426 2.142 6.088 1.00 0.00 H new ATOM 792 N VAL A 50 97.301 7.391 4.279 1.00 0.00 N ATOM 793 CA VAL A 50 96.780 8.654 3.764 1.00 0.00 C ATOM 794 C VAL A 50 97.124 8.775 2.276 1.00 0.00 C ATOM 795 O VAL A 50 98.221 8.370 1.887 1.00 0.00 O ATOM 796 CB VAL A 50 97.406 9.818 4.544 1.00 0.00 C ATOM 797 CG1 VAL A 50 96.854 11.155 4.041 1.00 0.00 C ATOM 798 CG2 VAL A 50 97.077 9.673 6.033 1.00 0.00 C ATOM 0 H VAL A 50 98.252 7.440 4.643 1.00 0.00 H new ATOM 0 HA VAL A 50 95.697 8.684 3.885 1.00 0.00 H new ATOM 0 HB VAL A 50 98.486 9.796 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.308 11.971 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.088 11.270 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 50 95.773 11.177 4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.522 10.500 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 50 95.996 9.685 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 97.479 8.730 6.404 1.00 0.00 H new ATOM 808 N PRO A 51 96.264 9.328 1.443 1.00 0.00 N ATOM 809 CA PRO A 51 96.593 9.502 -0.006 1.00 0.00 C ATOM 810 C PRO A 51 97.931 10.212 -0.189 1.00 0.00 C ATOM 811 O PRO A 51 98.405 10.898 0.717 1.00 0.00 O ATOM 812 CB PRO A 51 95.445 10.347 -0.560 1.00 0.00 C ATOM 813 CG PRO A 51 94.298 10.101 0.359 1.00 0.00 C ATOM 814 CD PRO A 51 94.901 9.817 1.734 1.00 0.00 C ATOM 0 HA PRO A 51 96.692 8.547 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 51 95.710 11.404 -0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 51 95.200 10.057 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 51 93.637 10.967 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 93.699 9.257 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 51 94.924 10.715 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 51 94.319 9.072 2.277 1.00 0.00 H new ATOM 822 N LEU A 52 98.537 10.047 -1.361 1.00 0.00 N ATOM 823 CA LEU A 52 99.854 10.621 -1.610 1.00 0.00 C ATOM 824 C LEU A 52 99.792 12.149 -1.558 1.00 0.00 C ATOM 825 O LEU A 52 98.750 12.721 -1.883 1.00 0.00 O ATOM 826 CB LEU A 52 100.362 10.194 -2.989 1.00 0.00 C ATOM 827 CG LEU A 52 100.802 8.729 -2.956 1.00 0.00 C ATOM 828 CD1 LEU A 52 101.043 8.244 -4.387 1.00 0.00 C ATOM 829 CD2 LEU A 52 102.099 8.601 -2.154 1.00 0.00 C ATOM 0 H LEU A 52 98.142 9.527 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 52 100.533 10.259 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 52 99.577 10.329 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 52 101.198 10.826 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 52 100.025 8.126 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 52 101.357 7.200 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 52 100.122 8.336 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 52 101.822 8.849 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 52 102.411 7.557 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 52 102.878 9.203 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 52 101.933 8.952 -1.136 1.00 0.00 H new ATOM 841 N PRO A 53 100.853 12.826 -1.164 1.00 0.00 N ATOM 842 CA PRO A 53 100.877 14.320 -1.206 1.00 0.00 C ATOM 843 C PRO A 53 100.764 14.832 -2.639 1.00 0.00 C ATOM 844 O PRO A 53 101.299 14.222 -3.570 1.00 0.00 O ATOM 845 CB PRO A 53 102.224 14.715 -0.583 1.00 0.00 C ATOM 846 CG PRO A 53 102.727 13.495 0.110 1.00 0.00 C ATOM 847 CD PRO A 53 102.122 12.301 -0.624 1.00 0.00 C ATOM 0 HA PRO A 53 100.036 14.755 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.926 15.047 -1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.103 15.541 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 53 103.816 13.455 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.433 13.495 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 53 102.778 11.945 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 53 101.953 11.461 0.050 1.00 0.00 H new ATOM 855 N SER A 54 100.103 15.977 -2.807 1.00 0.00 N ATOM 856 CA SER A 54 99.887 16.535 -4.140 1.00 0.00 C ATOM 857 C SER A 54 101.227 16.717 -4.858 1.00 0.00 C ATOM 858 O SER A 54 102.188 17.175 -4.237 1.00 0.00 O ATOM 859 CB SER A 54 99.176 17.885 -4.031 1.00 0.00 C ATOM 860 OG SER A 54 99.979 18.775 -3.268 1.00 0.00 O ATOM 0 H SER A 54 99.712 16.531 -2.045 1.00 0.00 H new ATOM 0 HA SER A 54 99.266 15.846 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 98.998 18.297 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 98.202 17.759 -3.559 1.00 0.00 H new ATOM 0 HG SER A 54 99.529 19.642 -3.197 1.00 0.00 H new ATOM 866 N PRO A 55 101.326 16.386 -6.127 1.00 0.00 N ATOM 867 CA PRO A 55 102.648 16.338 -6.810 1.00 0.00 C ATOM 868 C PRO A 55 103.156 17.708 -7.241 1.00 0.00 C ATOM 869 O PRO A 55 102.514 18.404 -8.028 1.00 0.00 O ATOM 870 CB PRO A 55 102.386 15.450 -8.027 1.00 0.00 C ATOM 871 CG PRO A 55 100.951 15.670 -8.369 1.00 0.00 C ATOM 872 CD PRO A 55 100.238 16.082 -7.079 1.00 0.00 C ATOM 0 HA PRO A 55 103.426 15.962 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 55 103.035 15.721 -8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 55 102.580 14.402 -7.799 1.00 0.00 H new ATOM 0 HG2 PRO A 55 100.851 16.445 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 55 100.510 14.762 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 55 99.599 16.950 -7.240 1.00 0.00 H new ATOM 0 HD3 PRO A 55 99.599 15.281 -6.707 1.00 0.00 H new ATOM 880 N THR A 56 104.317 18.088 -6.717 1.00 0.00 N ATOM 881 CA THR A 56 105.032 19.241 -7.244 1.00 0.00 C ATOM 882 C THR A 56 105.802 18.788 -8.477 1.00 0.00 C ATOM 883 O THR A 56 106.090 17.598 -8.615 1.00 0.00 O ATOM 884 CB THR A 56 106.001 19.803 -6.199 1.00 0.00 C ATOM 885 OG1 THR A 56 107.003 18.836 -5.918 1.00 0.00 O ATOM 886 CG2 THR A 56 105.243 20.146 -4.915 1.00 0.00 C ATOM 0 H THR A 56 104.777 17.619 -5.937 1.00 0.00 H new ATOM 0 HA THR A 56 104.325 20.030 -7.500 1.00 0.00 H new ATOM 0 HB THR A 56 106.466 20.708 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 56 107.625 19.194 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 56 105.939 20.545 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 56 104.478 20.891 -5.132 1.00 0.00 H new ATOM 0 HG23 THR A 56 104.771 19.246 -4.520 1.00 0.00 H new ATOM 894 N SER A 57 106.167 19.719 -9.356 1.00 0.00 N ATOM 895 CA SER A 57 106.774 19.329 -10.628 1.00 0.00 C ATOM 896 C SER A 57 108.024 18.482 -10.400 1.00 0.00 C ATOM 897 O SER A 57 108.945 18.886 -9.690 1.00 0.00 O ATOM 898 CB SER A 57 107.143 20.576 -11.432 1.00 0.00 C ATOM 899 OG SER A 57 107.630 20.182 -12.707 1.00 0.00 O ATOM 0 H SER A 57 106.057 20.724 -9.218 1.00 0.00 H new ATOM 0 HA SER A 57 106.048 18.735 -11.183 1.00 0.00 H new ATOM 0 HB2 SER A 57 106.272 21.221 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.901 21.154 -10.903 1.00 0.00 H new ATOM 0 HG SER A 57 108.553 19.863 -12.621 1.00 0.00 H new ATOM 905 N ASN A 58 108.039 17.303 -11.014 1.00 0.00 N ATOM 906 CA ASN A 58 109.215 16.434 -11.002 1.00 0.00 C ATOM 907 C ASN A 58 109.588 15.943 -9.599 1.00 0.00 C ATOM 908 O ASN A 58 110.693 15.436 -9.415 1.00 0.00 O ATOM 909 CB ASN A 58 110.410 17.172 -11.608 1.00 0.00 C ATOM 910 CG ASN A 58 110.070 17.657 -13.013 1.00 0.00 C ATOM 911 OD1 ASN A 58 110.346 18.807 -13.358 1.00 0.00 O ATOM 912 ND2 ASN A 58 109.486 16.845 -13.851 1.00 0.00 N ATOM 0 H ASN A 58 107.245 16.924 -11.530 1.00 0.00 H new ATOM 0 HA ASN A 58 108.959 15.556 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 58 110.681 18.019 -10.978 1.00 0.00 H new ATOM 0 HB3 ASN A 58 111.276 16.511 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 58 109.257 17.162 -14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 58 109.258 15.893 -13.564 1.00 0.00 H new ATOM 919 N LYS A 59 108.698 16.090 -8.612 1.00 0.00 N ATOM 920 CA LYS A 59 109.039 15.716 -7.238 1.00 0.00 C ATOM 921 C LYS A 59 107.809 15.295 -6.431 1.00 0.00 C ATOM 922 O LYS A 59 106.697 15.759 -6.684 1.00 0.00 O ATOM 923 CB LYS A 59 109.706 16.895 -6.523 1.00 0.00 C ATOM 924 CG LYS A 59 111.025 17.259 -7.210 1.00 0.00 C ATOM 925 CD LYS A 59 111.737 18.342 -6.397 1.00 0.00 C ATOM 926 CE LYS A 59 112.993 18.797 -7.141 1.00 0.00 C ATOM 927 NZ LYS A 59 112.624 19.818 -8.162 1.00 0.00 N ATOM 0 H LYS A 59 107.755 16.458 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 59 109.720 14.867 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.037 17.756 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.891 16.639 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.659 16.377 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.835 17.614 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.070 19.189 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.004 17.956 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.714 19.214 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.473 17.944 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.478 20.127 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.951 19.405 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.185 20.635 -7.693 1.00 0.00 H new ATOM 941 N GLN A 60 108.025 14.409 -5.459 1.00 0.00 N ATOM 942 CA GLN A 60 106.997 14.075 -4.472 1.00 0.00 C ATOM 943 C GLN A 60 107.629 13.691 -3.138 1.00 0.00 C ATOM 944 O GLN A 60 108.742 13.169 -3.096 1.00 0.00 O ATOM 945 CB GLN A 60 106.115 12.911 -4.932 1.00 0.00 C ATOM 946 CG GLN A 60 105.189 13.362 -6.060 1.00 0.00 C ATOM 947 CD GLN A 60 104.174 12.264 -6.367 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.478 11.332 -7.112 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.984 12.301 -5.825 1.00 0.00 N ATOM 0 H GLN A 60 108.905 13.908 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 60 106.381 14.967 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.739 12.085 -5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.525 12.540 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.672 14.278 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.772 13.590 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.729 13.072 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.311 11.559 -6.020 1.00 0.00 H new ATOM 958 N ASP A 61 106.906 13.939 -2.053 1.00 0.00 N ATOM 959 CA ASP A 61 107.337 13.475 -0.738 1.00 0.00 C ATOM 960 C ASP A 61 106.692 12.126 -0.441 1.00 0.00 C ATOM 961 O ASP A 61 105.473 11.984 -0.534 1.00 0.00 O ATOM 962 CB ASP A 61 106.935 14.489 0.337 1.00 0.00 C ATOM 963 CG ASP A 61 107.634 15.826 0.102 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.738 15.819 -0.417 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.052 16.841 0.448 1.00 0.00 O ATOM 0 H ASP A 61 106.026 14.454 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 61 108.422 13.370 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.854 14.630 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.196 14.104 1.323 1.00 0.00 H new ATOM 970 N ILE A 62 107.503 11.131 -0.088 1.00 0.00 N ATOM 971 CA ILE A 62 106.988 9.780 0.143 1.00 0.00 C ATOM 972 C ILE A 62 107.452 9.252 1.503 1.00 0.00 C ATOM 973 O ILE A 62 108.563 9.554 1.936 1.00 0.00 O ATOM 974 CB ILE A 62 107.439 8.874 -1.013 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.685 7.544 -0.944 1.00 0.00 C ATOM 976 CG2 ILE A 62 108.951 8.620 -0.972 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.249 7.742 -1.445 1.00 0.00 C ATOM 0 H ILE A 62 108.510 11.231 0.044 1.00 0.00 H new ATOM 0 HA ILE A 62 105.898 9.794 0.168 1.00 0.00 H new ATOM 0 HB ILE A 62 107.212 9.380 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.193 6.794 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.676 7.172 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.234 7.976 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.482 9.569 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.213 8.135 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.713 6.794 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.744 8.478 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.269 8.094 -2.476 1.00 0.00 H new ATOM 989 N SER A 63 106.614 8.456 2.168 1.00 0.00 N ATOM 990 CA SER A 63 106.933 8.013 3.524 1.00 0.00 C ATOM 991 C SER A 63 106.335 6.646 3.848 1.00 0.00 C ATOM 992 O SER A 63 105.391 6.182 3.203 1.00 0.00 O ATOM 993 CB SER A 63 106.425 9.040 4.536 1.00 0.00 C ATOM 994 OG SER A 63 105.006 8.983 4.590 1.00 0.00 O ATOM 0 H SER A 63 105.728 8.111 1.799 1.00 0.00 H new ATOM 0 HA SER A 63 108.017 7.921 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.846 8.837 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.750 10.041 4.250 1.00 0.00 H new ATOM 0 HG SER A 63 104.638 9.150 3.697 1.00 0.00 H new ATOM 1000 N GLU A 64 106.887 6.016 4.879 1.00 0.00 N ATOM 1001 CA GLU A 64 106.427 4.703 5.312 1.00 0.00 C ATOM 1002 C GLU A 64 104.931 4.708 5.626 1.00 0.00 C ATOM 1003 O GLU A 64 104.239 3.727 5.367 1.00 0.00 O ATOM 1004 CB GLU A 64 107.214 4.260 6.549 1.00 0.00 C ATOM 1005 CG GLU A 64 106.987 5.242 7.707 1.00 0.00 C ATOM 1006 CD GLU A 64 107.835 4.887 8.934 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.504 3.863 8.925 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.795 5.653 9.882 1.00 0.00 O ATOM 0 H GLU A 64 107.656 6.395 5.432 1.00 0.00 H new ATOM 0 HA GLU A 64 106.597 4.001 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.903 3.259 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.277 4.206 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.230 6.253 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.932 5.241 7.982 1.00 0.00 H new ATOM 1015 N ALA A 65 104.431 5.818 6.160 1.00 0.00 N ATOM 1016 CA ALA A 65 103.032 5.889 6.569 1.00 0.00 C ATOM 1017 C ALA A 65 102.102 5.604 5.394 1.00 0.00 C ATOM 1018 O ALA A 65 101.112 4.887 5.537 1.00 0.00 O ATOM 1019 CB ALA A 65 102.722 7.277 7.136 1.00 0.00 C ATOM 0 H ALA A 65 104.966 6.672 6.318 1.00 0.00 H new ATOM 0 HA ALA A 65 102.867 5.132 7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.676 7.321 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.358 7.467 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.911 8.032 6.373 1.00 0.00 H new ATOM 1025 N ASN A 66 102.422 6.168 4.234 1.00 0.00 N ATOM 1026 CA ASN A 66 101.554 6.027 3.068 1.00 0.00 C ATOM 1027 C ASN A 66 101.623 4.610 2.502 1.00 0.00 C ATOM 1028 O ASN A 66 100.596 4.002 2.202 1.00 0.00 O ATOM 1029 CB ASN A 66 101.957 7.015 1.967 1.00 0.00 C ATOM 1030 CG ASN A 66 102.101 8.432 2.518 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.204 8.857 2.859 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.048 9.195 2.614 1.00 0.00 N ATOM 0 H ASN A 66 103.265 6.720 4.076 1.00 0.00 H new ATOM 0 HA ASN A 66 100.536 6.238 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.899 6.699 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.208 7.005 1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.138 10.146 2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.134 8.841 2.331 1.00 0.00 H new ATOM 1039 N LEU A 67 102.838 4.094 2.351 1.00 0.00 N ATOM 1040 CA LEU A 67 103.029 2.777 1.743 1.00 0.00 C ATOM 1041 C LEU A 67 102.600 1.631 2.659 1.00 0.00 C ATOM 1042 O LEU A 67 102.248 0.555 2.175 1.00 0.00 O ATOM 1043 CB LEU A 67 104.492 2.595 1.331 1.00 0.00 C ATOM 1044 CG LEU A 67 104.743 3.332 0.013 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.838 4.836 0.281 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.044 2.836 -0.633 1.00 0.00 C ATOM 0 H LEU A 67 103.699 4.560 2.637 1.00 0.00 H new ATOM 0 HA LEU A 67 102.387 2.740 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.151 2.982 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.720 1.535 1.217 1.00 0.00 H new ATOM 0 HG LEU A 67 103.916 3.135 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.017 5.362 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.905 5.187 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.660 5.032 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.211 3.368 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.879 3.020 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.967 1.767 -0.832 1.00 0.00 H new ATOM 1058 N ALA A 68 102.633 1.848 3.974 1.00 0.00 N ATOM 1059 CA ALA A 68 102.307 0.795 4.940 1.00 0.00 C ATOM 1060 C ALA A 68 103.419 -0.268 4.919 1.00 0.00 C ATOM 1061 O ALA A 68 104.573 0.082 4.679 1.00 0.00 O ATOM 1062 CB ALA A 68 100.912 0.215 4.641 1.00 0.00 C ATOM 0 H ALA A 68 102.882 2.743 4.396 1.00 0.00 H new ATOM 0 HA ALA A 68 102.261 1.202 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.680 -0.566 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.166 1.007 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.901 -0.207 3.636 1.00 0.00 H new ATOM 1068 N TYR A 69 103.106 -1.550 5.134 1.00 0.00 N ATOM 1069 CA TYR A 69 104.140 -2.587 5.179 1.00 0.00 C ATOM 1070 C TYR A 69 105.015 -2.578 3.922 1.00 0.00 C ATOM 1071 O TYR A 69 106.182 -2.971 3.969 1.00 0.00 O ATOM 1072 CB TYR A 69 103.485 -3.961 5.330 1.00 0.00 C ATOM 1073 CG TYR A 69 104.478 -5.083 5.516 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.977 -5.372 6.791 1.00 0.00 C ATOM 1075 CD2 TYR A 69 104.901 -5.834 4.412 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.899 -6.412 6.965 1.00 0.00 C ATOM 1077 CE2 TYR A 69 105.823 -6.874 4.585 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.321 -7.162 5.861 1.00 0.00 C ATOM 1079 OH TYR A 69 107.230 -8.187 6.031 1.00 0.00 O ATOM 0 H TYR A 69 102.156 -1.891 5.278 1.00 0.00 H new ATOM 0 HA TYR A 69 104.780 -2.377 6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.808 -3.940 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 69 102.879 -4.165 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.651 -4.792 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.516 -5.611 3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 69 106.284 -6.635 7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.150 -7.454 3.734 1.00 0.00 H new ATOM 0 HH TYR A 69 107.416 -8.607 5.165 1.00 0.00 H new ATOM 1089 N LEU A 70 104.453 -2.133 2.802 1.00 0.00 N ATOM 1090 CA LEU A 70 105.172 -2.114 1.527 1.00 0.00 C ATOM 1091 C LEU A 70 106.508 -1.370 1.632 1.00 0.00 C ATOM 1092 O LEU A 70 107.441 -1.657 0.879 1.00 0.00 O ATOM 1093 CB LEU A 70 104.294 -1.458 0.458 1.00 0.00 C ATOM 1094 CG LEU A 70 104.967 -1.571 -0.912 1.00 0.00 C ATOM 1095 CD1 LEU A 70 104.972 -3.034 -1.360 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.188 -0.732 -1.927 1.00 0.00 C ATOM 0 H LEU A 70 103.498 -1.779 2.749 1.00 0.00 H new ATOM 0 HA LEU A 70 105.393 -3.145 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.316 -1.939 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.127 -0.410 0.705 1.00 0.00 H new ATOM 0 HG LEU A 70 105.993 -1.209 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.451 -3.114 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.522 -3.635 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.947 -3.397 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 70 104.664 -0.809 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.163 -1.098 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.181 0.310 -1.608 1.00 0.00 H new ATOM 1108 N TRP A 71 106.610 -0.429 2.568 1.00 0.00 N ATOM 1109 CA TRP A 71 107.808 0.394 2.699 1.00 0.00 C ATOM 1110 C TRP A 71 109.050 -0.495 2.872 1.00 0.00 C ATOM 1111 O TRP A 71 109.190 -1.132 3.918 1.00 0.00 O ATOM 1112 CB TRP A 71 107.664 1.286 3.932 1.00 0.00 C ATOM 1113 CG TRP A 71 108.656 2.404 3.983 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.644 2.521 4.898 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.774 3.560 3.103 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.349 3.683 4.647 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.858 4.355 3.546 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.052 3.992 1.979 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.213 5.539 2.892 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.406 5.178 1.319 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.483 5.950 1.774 1.00 0.00 C ATOM 0 H TRP A 71 105.878 -0.218 3.246 1.00 0.00 H new ATOM 0 HA TRP A 71 107.924 1.000 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.657 1.704 3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.773 0.674 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.849 1.821 5.695 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.138 4.005 5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.218 3.407 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.044 6.130 3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.844 5.498 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.749 6.862 1.261 1.00 0.00 H new ATOM 1132 N PRO A 72 109.951 -0.564 1.911 1.00 0.00 N ATOM 1133 CA PRO A 72 111.111 -1.503 1.986 1.00 0.00 C ATOM 1134 C PRO A 72 112.351 -0.915 2.662 1.00 0.00 C ATOM 1135 O PRO A 72 113.292 -1.647 2.968 1.00 0.00 O ATOM 1136 CB PRO A 72 111.396 -1.796 0.515 1.00 0.00 C ATOM 1137 CG PRO A 72 111.067 -0.528 -0.197 1.00 0.00 C ATOM 1138 CD PRO A 72 110.013 0.197 0.646 1.00 0.00 C ATOM 0 HA PRO A 72 110.876 -2.376 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.438 -2.076 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.787 -2.623 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 72 111.957 0.090 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.686 -0.735 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.294 1.235 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.045 0.209 0.144 1.00 0.00 H new ATOM 1146 N LEU A 73 112.375 0.401 2.861 1.00 0.00 N ATOM 1147 CA LEU A 73 113.559 1.057 3.413 1.00 0.00 C ATOM 1148 C LEU A 73 113.515 1.119 4.935 1.00 0.00 C ATOM 1149 O LEU A 73 112.451 1.267 5.537 1.00 0.00 O ATOM 1150 CB LEU A 73 113.671 2.482 2.871 1.00 0.00 C ATOM 1151 CG LEU A 73 113.710 2.468 1.343 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.725 3.912 0.843 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.974 1.747 0.864 1.00 0.00 C ATOM 0 H LEU A 73 111.598 1.028 2.651 1.00 0.00 H new ATOM 0 HA LEU A 73 114.423 0.465 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.824 3.076 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.572 2.956 3.260 1.00 0.00 H new ATOM 0 HG LEU A 73 112.836 1.946 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.753 3.919 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.827 4.425 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.606 4.423 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 73 114.998 1.739 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.855 2.266 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.970 0.722 1.234 1.00 0.00 H new ATOM 1165 N THR A 74 114.690 1.001 5.545 1.00 0.00 N ATOM 1166 CA THR A 74 114.826 1.156 6.988 1.00 0.00 C ATOM 1167 C THR A 74 114.593 2.608 7.397 1.00 0.00 C ATOM 1168 O THR A 74 114.009 2.868 8.450 1.00 0.00 O ATOM 1169 CB THR A 74 116.222 0.714 7.434 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.197 1.550 6.826 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.461 -0.740 7.022 1.00 0.00 C ATOM 0 H THR A 74 115.564 0.798 5.060 1.00 0.00 H new ATOM 0 HA THR A 74 114.077 0.530 7.473 1.00 0.00 H new ATOM 0 HB THR A 74 116.298 0.794 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.283 1.316 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.456 -1.050 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.713 -1.379 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.384 -0.828 5.938 1.00 0.00 H new ATOM 1179 N VAL A 75 115.052 3.553 6.571 1.00 0.00 N ATOM 1180 CA VAL A 75 114.776 4.960 6.837 1.00 0.00 C ATOM 1181 C VAL A 75 113.274 5.177 6.736 1.00 0.00 C ATOM 1182 O VAL A 75 112.649 4.760 5.766 1.00 0.00 O ATOM 1183 CB VAL A 75 115.519 5.877 5.858 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.022 5.785 6.120 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.239 5.467 4.408 1.00 0.00 C ATOM 0 H VAL A 75 115.604 3.372 5.732 1.00 0.00 H new ATOM 0 HA VAL A 75 115.129 5.213 7.837 1.00 0.00 H new ATOM 0 HB VAL A 75 115.170 6.899 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.553 6.436 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.233 6.097 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.354 4.756 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.777 6.132 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.572 4.441 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.169 5.536 4.210 1.00 0.00 H new ATOM 1195 N ASP A 76 112.691 5.802 7.751 1.00 0.00 N ATOM 1196 CA ASP A 76 111.238 5.855 7.858 1.00 0.00 C ATOM 1197 C ASP A 76 110.604 6.578 6.678 1.00 0.00 C ATOM 1198 O ASP A 76 109.496 6.232 6.269 1.00 0.00 O ATOM 1199 CB ASP A 76 110.830 6.535 9.166 1.00 0.00 C ATOM 1200 CG ASP A 76 111.275 5.703 10.367 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.336 4.490 10.242 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.552 6.293 11.398 1.00 0.00 O ATOM 0 H ASP A 76 113.194 6.274 8.503 1.00 0.00 H new ATOM 0 HA ASP A 76 110.873 4.828 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.276 7.528 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.749 6.669 9.190 1.00 0.00 H new ATOM 1207 N HIS A 77 111.284 7.590 6.149 1.00 0.00 N ATOM 1208 CA HIS A 77 110.746 8.324 5.011 1.00 0.00 C ATOM 1209 C HIS A 77 111.872 8.819 4.117 1.00 0.00 C ATOM 1210 O HIS A 77 113.047 8.612 4.414 1.00 0.00 O ATOM 1211 CB HIS A 77 109.890 9.499 5.490 1.00 0.00 C ATOM 1212 CG HIS A 77 110.599 10.426 6.439 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.106 9.995 7.655 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.874 11.770 6.374 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.655 11.060 8.266 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.541 12.168 7.528 1.00 0.00 N ATOM 0 H HIS A 77 112.191 7.916 6.482 1.00 0.00 H new ATOM 0 HA HIS A 77 110.116 7.649 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.556 10.069 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.997 9.109 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.612 12.419 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.130 11.024 9.235 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.872 13.104 7.761 1.00 0.00 H new ATOM 1224 N GLY A 78 111.494 9.410 2.992 1.00 0.00 N ATOM 1225 CA GLY A 78 112.457 10.009 2.083 1.00 0.00 C ATOM 1226 C GLY A 78 111.728 10.783 0.993 1.00 0.00 C ATOM 1227 O GLY A 78 110.529 10.602 0.777 1.00 0.00 O ATOM 0 H GLY A 78 110.523 9.487 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.122 10.676 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.080 9.234 1.636 1.00 0.00 H new ATOM 1231 N THR A 79 112.449 11.670 0.323 1.00 0.00 N ATOM 1232 CA THR A 79 111.865 12.457 -0.757 1.00 0.00 C ATOM 1233 C THR A 79 112.401 11.978 -2.100 1.00 0.00 C ATOM 1234 O THR A 79 113.589 11.704 -2.235 1.00 0.00 O ATOM 1235 CB THR A 79 112.201 13.936 -0.561 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.049 14.273 0.811 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.233 14.774 -1.397 1.00 0.00 C ATOM 0 H THR A 79 113.434 11.863 0.505 1.00 0.00 H new ATOM 0 HA THR A 79 110.782 12.331 -0.743 1.00 0.00 H new ATOM 0 HB THR A 79 113.227 14.131 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.265 15.220 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.461 15.832 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.336 14.508 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.211 14.581 -1.072 1.00 0.00 H new ATOM 1245 N ILE A 80 111.524 11.875 -3.092 1.00 0.00 N ATOM 1246 CA ILE A 80 111.925 11.412 -4.420 1.00 0.00 C ATOM 1247 C ILE A 80 111.943 12.585 -5.392 1.00 0.00 C ATOM 1248 O ILE A 80 111.015 13.394 -5.414 1.00 0.00 O ATOM 1249 CB ILE A 80 110.973 10.315 -4.919 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.512 10.779 -4.838 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.157 9.068 -4.053 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.613 9.815 -5.615 1.00 0.00 C ATOM 0 H ILE A 80 110.534 12.104 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 80 112.928 10.989 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 80 111.206 10.093 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.194 10.826 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.418 11.785 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.485 8.282 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.188 8.722 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.929 9.309 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.578 10.152 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.924 9.790 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.696 8.816 -5.188 1.00 0.00 H new ATOM 1264 N GLU A 81 113.018 12.692 -6.171 1.00 0.00 N ATOM 1265 CA GLU A 81 113.165 13.833 -7.069 1.00 0.00 C ATOM 1266 C GLU A 81 113.893 13.456 -8.354 1.00 0.00 C ATOM 1267 O GLU A 81 114.767 12.588 -8.367 1.00 0.00 O ATOM 1268 CB GLU A 81 113.948 14.946 -6.366 1.00 0.00 C ATOM 1269 CG GLU A 81 113.201 15.399 -5.105 1.00 0.00 C ATOM 1270 CD GLU A 81 113.899 16.582 -4.428 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.017 16.911 -4.799 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.296 17.151 -3.532 1.00 0.00 O ATOM 0 H GLU A 81 113.784 12.019 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 81 112.163 14.174 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 81 114.943 14.589 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.082 15.790 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.181 15.680 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.132 14.567 -4.404 1.00 0.00 H new ATOM 1279 N CYS A 82 113.509 14.121 -9.438 1.00 0.00 N ATOM 1280 CA CYS A 82 114.281 14.065 -10.676 1.00 0.00 C ATOM 1281 C CYS A 82 115.087 15.354 -10.810 1.00 0.00 C ATOM 1282 O CYS A 82 114.520 16.446 -10.851 1.00 0.00 O ATOM 1283 CB CYS A 82 113.354 13.912 -11.885 1.00 0.00 C ATOM 1284 SG CYS A 82 112.249 12.500 -11.635 1.00 0.00 S ATOM 0 H CYS A 82 112.672 14.703 -9.486 1.00 0.00 H new ATOM 0 HA CYS A 82 114.948 13.203 -10.644 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.770 14.822 -12.025 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.943 13.769 -12.791 1.00 0.00 H new ATOM 1289 N LEU A 83 116.407 15.222 -10.879 1.00 0.00 N ATOM 1290 CA LEU A 83 117.277 16.395 -10.864 1.00 0.00 C ATOM 1291 C LEU A 83 117.495 16.945 -12.275 1.00 0.00 C ATOM 1292 O LEU A 83 117.354 16.206 -13.248 1.00 0.00 O ATOM 1293 CB LEU A 83 118.627 16.029 -10.242 1.00 0.00 C ATOM 1294 CG LEU A 83 118.412 15.520 -8.816 1.00 0.00 C ATOM 1295 CD1 LEU A 83 119.710 14.907 -8.289 1.00 0.00 C ATOM 1296 CD2 LEU A 83 117.998 16.687 -7.917 1.00 0.00 C ATOM 0 H LEU A 83 116.894 14.328 -10.945 1.00 0.00 H new ATOM 0 HA LEU A 83 116.792 17.168 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 83 119.120 15.264 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 83 119.283 16.899 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 83 117.628 14.763 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 83 119.555 14.545 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 83 120.006 14.076 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 83 120.496 15.663 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 83 117.844 16.326 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 83 118.782 17.444 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 83 117.072 17.124 -8.291 1.00 0.00 H new ATOM 1308 N PRO A 84 117.845 18.207 -12.420 1.00 0.00 N ATOM 1309 CA PRO A 84 118.136 18.789 -13.770 1.00 0.00 C ATOM 1310 C PRO A 84 119.169 17.980 -14.567 1.00 0.00 C ATOM 1311 O PRO A 84 119.289 18.151 -15.780 1.00 0.00 O ATOM 1312 CB PRO A 84 118.643 20.211 -13.482 1.00 0.00 C ATOM 1313 CG PRO A 84 118.924 20.262 -12.019 1.00 0.00 C ATOM 1314 CD PRO A 84 118.002 19.234 -11.371 1.00 0.00 C ATOM 0 HA PRO A 84 117.245 18.778 -14.397 1.00 0.00 H new ATOM 0 HB2 PRO A 84 119.542 20.429 -14.059 1.00 0.00 H new ATOM 0 HB3 PRO A 84 117.897 20.955 -13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 84 119.969 20.030 -11.815 1.00 0.00 H new ATOM 0 HG3 PRO A 84 118.735 21.259 -11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 84 118.439 18.818 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 84 117.044 19.673 -11.091 1.00 0.00 H new ATOM 1322 N SER A 85 119.911 17.104 -13.891 1.00 0.00 N ATOM 1323 CA SER A 85 120.915 16.276 -14.562 1.00 0.00 C ATOM 1324 C SER A 85 120.307 15.089 -15.325 1.00 0.00 C ATOM 1325 O SER A 85 121.048 14.266 -15.865 1.00 0.00 O ATOM 1326 CB SER A 85 121.913 15.749 -13.531 1.00 0.00 C ATOM 1327 OG SER A 85 122.627 16.842 -12.972 1.00 0.00 O ATOM 0 H SER A 85 119.838 16.949 -12.886 1.00 0.00 H new ATOM 0 HA SER A 85 121.409 16.913 -15.296 1.00 0.00 H new ATOM 0 HB2 SER A 85 121.390 15.202 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 122.604 15.049 -14.001 1.00 0.00 H new ATOM 0 HG SER A 85 123.267 16.510 -12.309 1.00 0.00 H new ATOM 1333 N ASP A 86 118.977 14.978 -15.348 1.00 0.00 N ATOM 1334 CA ASP A 86 118.297 13.895 -16.049 1.00 0.00 C ATOM 1335 C ASP A 86 118.661 12.545 -15.435 1.00 0.00 C ATOM 1336 O ASP A 86 118.930 11.577 -16.147 1.00 0.00 O ATOM 1337 CB ASP A 86 118.640 13.923 -17.543 1.00 0.00 C ATOM 1338 CG ASP A 86 118.186 15.240 -18.170 1.00 0.00 C ATOM 1339 OD1 ASP A 86 117.198 15.791 -17.711 1.00 0.00 O ATOM 1340 OD2 ASP A 86 118.836 15.680 -19.105 1.00 0.00 O ATOM 0 H ASP A 86 118.348 15.633 -14.884 1.00 0.00 H new ATOM 0 HA ASP A 86 117.222 14.038 -15.943 1.00 0.00 H new ATOM 0 HB2 ASP A 86 119.715 13.800 -17.678 1.00 0.00 H new ATOM 0 HB3 ASP A 86 118.157 13.087 -18.049 1.00 0.00 H new ATOM 1345 N ASN A 87 118.669 12.501 -14.105 1.00 0.00 N ATOM 1346 CA ASN A 87 118.863 11.256 -13.369 1.00 0.00 C ATOM 1347 C ASN A 87 117.850 11.171 -12.229 1.00 0.00 C ATOM 1348 O ASN A 87 117.484 12.191 -11.641 1.00 0.00 O ATOM 1349 CB ASN A 87 120.295 11.184 -12.823 1.00 0.00 C ATOM 1350 CG ASN A 87 120.549 12.301 -11.815 1.00 0.00 C ATOM 1351 OD1 ASN A 87 119.834 13.302 -11.801 1.00 0.00 O ATOM 1352 ND2 ASN A 87 121.532 12.187 -10.964 1.00 0.00 N ATOM 0 H ASN A 87 118.542 13.321 -13.512 1.00 0.00 H new ATOM 0 HA ASN A 87 118.709 10.412 -14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 87 120.460 10.216 -12.349 1.00 0.00 H new ATOM 0 HB3 ASN A 87 121.006 11.262 -13.645 1.00 0.00 H new ATOM 0 HD21 ASN A 87 121.708 12.928 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 87 122.124 11.356 -10.977 1.00 0.00 H new ATOM 1359 N ALA A 88 117.394 9.959 -11.926 1.00 0.00 N ATOM 1360 CA ALA A 88 116.403 9.768 -10.871 1.00 0.00 C ATOM 1361 C ALA A 88 117.071 9.314 -9.577 1.00 0.00 C ATOM 1362 O ALA A 88 117.726 8.269 -9.540 1.00 0.00 O ATOM 1363 CB ALA A 88 115.373 8.726 -11.312 1.00 0.00 C ATOM 0 H ALA A 88 117.691 9.101 -12.391 1.00 0.00 H new ATOM 0 HA ALA A 88 115.905 10.720 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.635 8.586 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.874 9.069 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.875 7.779 -11.511 1.00 0.00 H new ATOM 1369 N VAL A 89 116.871 10.079 -8.504 1.00 0.00 N ATOM 1370 CA VAL A 89 117.521 9.778 -7.229 1.00 0.00 C ATOM 1371 C VAL A 89 116.542 9.853 -6.057 1.00 0.00 C ATOM 1372 O VAL A 89 115.498 10.504 -6.129 1.00 0.00 O ATOM 1373 CB VAL A 89 118.669 10.759 -6.983 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.717 10.606 -8.085 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.132 12.193 -6.990 1.00 0.00 C ATOM 0 H VAL A 89 116.271 10.903 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 89 117.901 8.759 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 89 119.123 10.546 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.535 11.305 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.104 9.587 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.261 10.817 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.952 12.889 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.676 12.406 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.386 12.306 -6.204 1.00 0.00 H new ATOM 1385 N PHE A 90 116.920 9.182 -4.974 1.00 0.00 N ATOM 1386 CA PHE A 90 116.146 9.159 -3.738 1.00 0.00 C ATOM 1387 C PHE A 90 116.926 9.859 -2.627 1.00 0.00 C ATOM 1388 O PHE A 90 118.088 9.543 -2.389 1.00 0.00 O ATOM 1389 CB PHE A 90 115.889 7.701 -3.351 1.00 0.00 C ATOM 1390 CG PHE A 90 115.194 7.505 -2.024 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.820 7.748 -1.902 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.927 7.056 -0.919 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.181 7.544 -0.671 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.288 6.852 0.310 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.915 7.093 0.433 1.00 0.00 C ATOM 0 H PHE A 90 117.779 8.634 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 90 115.199 9.678 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.288 7.234 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.843 7.174 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.254 8.092 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 90 116.986 6.867 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.122 7.735 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.855 6.509 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.421 6.931 1.380 1.00 0.00 H new ATOM 1405 N VAL A 91 116.291 10.808 -1.951 1.00 0.00 N ATOM 1406 CA VAL A 91 116.947 11.550 -0.875 1.00 0.00 C ATOM 1407 C VAL A 91 116.382 11.103 0.467 1.00 0.00 C ATOM 1408 O VAL A 91 115.167 11.055 0.643 1.00 0.00 O ATOM 1409 CB VAL A 91 116.707 13.055 -1.058 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.419 13.870 0.033 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.231 13.493 -2.429 1.00 0.00 C ATOM 0 H VAL A 91 115.325 11.084 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 91 118.019 11.353 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 91 115.635 13.238 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.230 14.932 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.041 13.575 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.492 13.682 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.061 14.562 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.299 13.285 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.707 12.944 -3.211 1.00 0.00 H new ATOM 1421 N ALA A 92 117.261 10.801 1.417 1.00 0.00 N ATOM 1422 CA ALA A 92 116.810 10.393 2.748 1.00 0.00 C ATOM 1423 C ALA A 92 116.894 11.563 3.734 1.00 0.00 C ATOM 1424 O ALA A 92 117.686 12.479 3.522 1.00 0.00 O ATOM 1425 CB ALA A 92 117.668 9.234 3.257 1.00 0.00 C ATOM 0 H ALA A 92 118.273 10.829 1.297 1.00 0.00 H new ATOM 0 HA ALA A 92 115.771 10.073 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.326 8.936 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.581 8.389 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.710 9.549 3.312 1.00 0.00 H new ATOM 1431 N PRO A 93 116.112 11.566 4.794 1.00 0.00 N ATOM 1432 CA PRO A 93 116.159 12.673 5.800 1.00 0.00 C ATOM 1433 C PRO A 93 117.577 13.010 6.254 1.00 0.00 C ATOM 1434 O PRO A 93 117.855 14.140 6.656 1.00 0.00 O ATOM 1435 CB PRO A 93 115.334 12.155 6.981 1.00 0.00 C ATOM 1436 CG PRO A 93 114.415 11.128 6.415 1.00 0.00 C ATOM 1437 CD PRO A 93 115.082 10.570 5.158 1.00 0.00 C ATOM 0 HA PRO A 93 115.772 13.598 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.977 11.724 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.775 12.963 7.452 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.233 10.334 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.447 11.568 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.528 9.594 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.359 10.439 4.353 1.00 0.00 H new ATOM 1445 N ASP A 94 118.469 12.029 6.191 1.00 0.00 N ATOM 1446 CA ASP A 94 119.844 12.232 6.643 1.00 0.00 C ATOM 1447 C ASP A 94 120.601 13.275 5.805 1.00 0.00 C ATOM 1448 O ASP A 94 121.680 13.715 6.199 1.00 0.00 O ATOM 1449 CB ASP A 94 120.593 10.890 6.618 1.00 0.00 C ATOM 1450 CG ASP A 94 120.492 10.202 5.251 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.059 10.835 4.302 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.860 9.040 5.169 1.00 0.00 O ATOM 0 H ASP A 94 118.270 11.094 5.836 1.00 0.00 H new ATOM 0 HA ASP A 94 119.799 12.622 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.642 11.055 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.185 10.233 7.386 1.00 0.00 H new ATOM 1457 N GLY A 95 120.047 13.674 4.660 1.00 0.00 N ATOM 1458 CA GLY A 95 120.726 14.616 3.767 1.00 0.00 C ATOM 1459 C GLY A 95 121.633 13.919 2.741 1.00 0.00 C ATOM 1460 O GLY A 95 122.408 14.580 2.048 1.00 0.00 O ATOM 0 H GLY A 95 119.134 13.362 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.980 15.211 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.323 15.307 4.362 1.00 0.00 H new ATOM 1464 N THR A 96 121.540 12.594 2.643 1.00 0.00 N ATOM 1465 CA THR A 96 122.345 11.822 1.712 1.00 0.00 C ATOM 1466 C THR A 96 121.516 11.502 0.478 1.00 0.00 C ATOM 1467 O THR A 96 120.329 11.193 0.588 1.00 0.00 O ATOM 1468 CB THR A 96 122.780 10.516 2.381 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.473 10.812 3.585 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.694 9.719 1.446 1.00 0.00 C ATOM 0 H THR A 96 120.904 12.031 3.208 1.00 0.00 H new ATOM 0 HA THR A 96 123.225 12.397 1.424 1.00 0.00 H new ATOM 0 HB THR A 96 121.896 9.918 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.751 9.977 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.996 8.793 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.159 9.486 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.579 10.310 1.211 1.00 0.00 H new ATOM 1478 N THR A 97 122.139 11.580 -0.692 1.00 0.00 N ATOM 1479 CA THR A 97 121.443 11.254 -1.931 1.00 0.00 C ATOM 1480 C THR A 97 121.865 9.875 -2.422 1.00 0.00 C ATOM 1481 O THR A 97 123.053 9.570 -2.529 1.00 0.00 O ATOM 1482 CB THR A 97 121.759 12.302 -3.000 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.461 13.596 -2.497 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.917 12.032 -4.248 1.00 0.00 C ATOM 0 H THR A 97 123.112 11.862 -0.809 1.00 0.00 H new ATOM 0 HA THR A 97 120.370 11.250 -1.740 1.00 0.00 H new ATOM 0 HB THR A 97 122.816 12.248 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.665 14.268 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.143 12.779 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.148 11.039 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.859 12.084 -3.991 1.00 0.00 H new ATOM 1492 N TYR A 98 120.869 9.052 -2.718 1.00 0.00 N ATOM 1493 CA TYR A 98 121.095 7.708 -3.228 1.00 0.00 C ATOM 1494 C TYR A 98 120.562 7.621 -4.655 1.00 0.00 C ATOM 1495 O TYR A 98 119.602 8.304 -4.999 1.00 0.00 O ATOM 1496 CB TYR A 98 120.360 6.694 -2.346 1.00 0.00 C ATOM 1497 CG TYR A 98 120.784 6.708 -0.894 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.857 5.916 -0.466 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.098 7.508 0.029 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.242 5.924 0.882 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.485 7.518 1.376 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.556 6.726 1.804 1.00 0.00 C ATOM 1503 OH TYR A 98 121.937 6.734 3.131 1.00 0.00 O ATOM 0 H TYR A 98 119.884 9.297 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 98 122.162 7.486 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.289 6.891 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.522 5.695 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.388 5.299 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.269 8.118 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.068 5.311 1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.956 8.138 2.085 1.00 0.00 H new ATOM 0 HH TYR A 98 121.520 7.495 3.587 1.00 0.00 H new ATOM 1513 N ALA A 99 121.177 6.784 -5.478 1.00 0.00 N ATOM 1514 CA ALA A 99 120.758 6.648 -6.869 1.00 0.00 C ATOM 1515 C ALA A 99 119.649 5.608 -6.992 1.00 0.00 C ATOM 1516 O ALA A 99 119.798 4.471 -6.544 1.00 0.00 O ATOM 1517 CB ALA A 99 121.956 6.234 -7.728 1.00 0.00 C ATOM 0 H ALA A 99 121.963 6.191 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 99 120.375 7.607 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.641 6.133 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.734 6.994 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.346 5.280 -7.373 1.00 0.00 H new ATOM 1523 N LEU A 100 118.536 6.004 -7.603 1.00 0.00 N ATOM 1524 CA LEU A 100 117.410 5.097 -7.779 1.00 0.00 C ATOM 1525 C LEU A 100 117.612 4.233 -9.014 1.00 0.00 C ATOM 1526 O LEU A 100 117.512 3.008 -8.955 1.00 0.00 O ATOM 1527 CB LEU A 100 116.110 5.885 -7.947 1.00 0.00 C ATOM 1528 CG LEU A 100 115.578 6.333 -6.587 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.599 7.487 -6.801 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.844 5.164 -5.923 1.00 0.00 C ATOM 0 H LEU A 100 118.391 6.940 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 100 117.348 4.466 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.284 6.755 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.366 5.268 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 100 116.402 6.655 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.210 7.818 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.114 8.315 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.774 7.152 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.462 5.479 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.013 4.850 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.533 4.330 -5.789 1.00 0.00 H new ATOM 1542 N ASN A 101 117.899 4.888 -10.138 1.00 0.00 N ATOM 1543 CA ASN A 101 118.021 4.181 -11.415 1.00 0.00 C ATOM 1544 C ASN A 101 119.458 4.183 -11.933 1.00 0.00 C ATOM 1545 O ASN A 101 120.322 4.909 -11.441 1.00 0.00 O ATOM 1546 CB ASN A 101 117.079 4.806 -12.451 1.00 0.00 C ATOM 1547 CG ASN A 101 117.497 6.232 -12.802 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.525 6.722 -12.338 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.748 6.936 -13.607 1.00 0.00 N ATOM 0 H ASN A 101 118.050 5.895 -10.193 1.00 0.00 H new ATOM 0 HA ASN A 101 117.738 3.142 -11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.073 4.195 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.061 4.810 -12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.016 7.890 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.895 6.532 -13.993 1.00 0.00 H new ATOM 1556 N ASP A 102 119.702 3.354 -12.942 1.00 0.00 N ATOM 1557 CA ASP A 102 121.046 3.187 -13.488 1.00 0.00 C ATOM 1558 C ASP A 102 121.672 4.527 -13.869 1.00 0.00 C ATOM 1559 O ASP A 102 122.880 4.710 -13.745 1.00 0.00 O ATOM 1560 CB ASP A 102 120.995 2.283 -14.722 1.00 0.00 C ATOM 1561 CG ASP A 102 120.567 0.869 -14.333 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.858 0.459 -13.221 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.948 0.216 -15.158 1.00 0.00 O ATOM 0 H ASP A 102 118.988 2.787 -13.399 1.00 0.00 H new ATOM 0 HA ASP A 102 121.664 2.732 -12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.296 2.693 -15.452 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.974 2.254 -15.200 1.00 0.00 H new ATOM 1568 N ARG A 103 120.852 5.463 -14.335 1.00 0.00 N ATOM 1569 CA ARG A 103 121.361 6.755 -14.781 1.00 0.00 C ATOM 1570 C ARG A 103 122.059 7.480 -13.631 1.00 0.00 C ATOM 1571 O ARG A 103 123.181 7.968 -13.769 1.00 0.00 O ATOM 1572 CB ARG A 103 120.189 7.580 -15.310 1.00 0.00 C ATOM 1573 CG ARG A 103 119.599 6.867 -16.530 1.00 0.00 C ATOM 1574 CD ARG A 103 118.356 7.613 -17.012 1.00 0.00 C ATOM 1575 NE ARG A 103 118.731 8.934 -17.513 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.094 9.178 -18.776 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.127 8.243 -19.693 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.426 10.399 -19.089 1.00 0.00 N ATOM 0 H ARG A 103 119.841 5.353 -14.413 1.00 0.00 H new ATOM 0 HA ARG A 103 122.095 6.612 -15.574 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.430 7.697 -14.537 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.524 8.581 -15.582 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.339 6.820 -17.329 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.341 5.839 -16.273 1.00 0.00 H new ATOM 0 HD2 ARG A 103 117.862 7.043 -17.799 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.642 7.714 -16.195 1.00 0.00 H new ATOM 0 HE ARG A 103 118.715 9.717 -16.859 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.869 7.285 -19.454 1.00 0.00 H new ATOM 0 HH12 ARG A 103 119.410 8.473 -20.646 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.403 11.131 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 103 119.708 10.622 -20.043 1.00 0.00 H new ATOM 1592 N ALA A 104 121.406 7.508 -12.476 1.00 0.00 N ATOM 1593 CA ALA A 104 122.000 8.106 -11.284 1.00 0.00 C ATOM 1594 C ALA A 104 123.289 7.386 -10.881 1.00 0.00 C ATOM 1595 O ALA A 104 124.220 8.007 -10.360 1.00 0.00 O ATOM 1596 CB ALA A 104 121.000 8.055 -10.129 1.00 0.00 C ATOM 0 H ALA A 104 120.470 7.126 -12.338 1.00 0.00 H new ATOM 0 HA ALA A 104 122.248 9.142 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.447 8.502 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.101 8.609 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.738 7.018 -9.920 1.00 0.00 H new ATOM 1602 N GLU A 105 123.332 6.069 -11.086 1.00 0.00 N ATOM 1603 CA GLU A 105 124.545 5.309 -10.793 1.00 0.00 C ATOM 1604 C GLU A 105 125.696 5.792 -11.672 1.00 0.00 C ATOM 1605 O GLU A 105 126.820 5.959 -11.202 1.00 0.00 O ATOM 1606 CB GLU A 105 124.311 3.813 -11.021 1.00 0.00 C ATOM 1607 CG GLU A 105 123.230 3.308 -10.060 1.00 0.00 C ATOM 1608 CD GLU A 105 123.658 3.466 -8.599 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.842 3.633 -8.342 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.786 3.412 -7.747 1.00 0.00 O ATOM 0 H GLU A 105 122.555 5.515 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 105 124.804 5.468 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.006 3.636 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.238 3.262 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.305 3.858 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 105 123.020 2.259 -10.267 1.00 0.00 H new ATOM 1617 N LYS A 106 125.404 6.054 -12.942 1.00 0.00 N ATOM 1618 CA LYS A 106 126.408 6.616 -13.847 1.00 0.00 C ATOM 1619 C LYS A 106 126.922 7.965 -13.337 1.00 0.00 C ATOM 1620 O LYS A 106 128.090 8.303 -13.524 1.00 0.00 O ATOM 1621 CB LYS A 106 125.807 6.795 -15.243 1.00 0.00 C ATOM 1622 CG LYS A 106 125.441 5.426 -15.821 1.00 0.00 C ATOM 1623 CD LYS A 106 124.941 5.596 -17.256 1.00 0.00 C ATOM 1624 CE LYS A 106 124.459 4.246 -17.794 1.00 0.00 C ATOM 1625 NZ LYS A 106 124.347 4.313 -19.277 1.00 0.00 N ATOM 0 H LYS A 106 124.492 5.889 -13.367 1.00 0.00 H new ATOM 0 HA LYS A 106 127.247 5.922 -13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 106 124.921 7.428 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 106 126.520 7.298 -15.896 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.310 4.768 -15.803 1.00 0.00 H new ATOM 0 HG3 LYS A 106 124.671 4.955 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 106 124.128 6.322 -17.285 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.740 5.986 -17.887 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.156 3.458 -17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 106 123.493 3.992 -17.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 124.020 3.396 -19.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 123.666 5.054 -19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 125.277 4.536 -19.686 1.00 0.00 H new ATOM 1639 N ALA A 107 126.042 8.731 -12.696 1.00 0.00 N ATOM 1640 CA ALA A 107 126.418 10.014 -12.098 1.00 0.00 C ATOM 1641 C ALA A 107 127.334 9.862 -10.873 1.00 0.00 C ATOM 1642 O ALA A 107 127.771 10.863 -10.302 1.00 0.00 O ATOM 1643 CB ALA A 107 125.157 10.776 -11.686 1.00 0.00 C ATOM 0 H ALA A 107 125.059 8.486 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 107 126.977 10.563 -12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.438 11.731 -11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.536 10.954 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.597 10.187 -10.959 1.00 0.00 H new ATOM 1649 N GLY A 108 127.628 8.627 -10.464 1.00 0.00 N ATOM 1650 CA GLY A 108 128.521 8.386 -9.335 1.00 0.00 C ATOM 1651 C GLY A 108 127.842 8.578 -7.980 1.00 0.00 C ATOM 1652 O GLY A 108 128.518 8.838 -6.983 1.00 0.00 O ATOM 0 H GLY A 108 127.260 7.781 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.910 7.370 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.375 9.060 -9.405 1.00 0.00 H new ATOM 1656 N HIS A 109 126.515 8.453 -7.934 1.00 0.00 N ATOM 1657 CA HIS A 109 125.807 8.484 -6.659 1.00 0.00 C ATOM 1658 C HIS A 109 125.720 7.064 -6.085 1.00 0.00 C ATOM 1659 O HIS A 109 125.552 6.117 -6.856 1.00 0.00 O ATOM 1660 CB HIS A 109 124.398 9.047 -6.852 1.00 0.00 C ATOM 1661 CG HIS A 109 124.352 10.550 -6.880 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.682 11.321 -5.776 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.015 11.440 -7.871 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.538 12.611 -6.125 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.134 12.742 -7.392 1.00 0.00 N ATOM 0 H HIS A 109 125.919 8.331 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 109 126.352 9.125 -5.966 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.986 8.661 -7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.758 8.687 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.705 11.171 -8.870 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.726 13.442 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.952 13.608 -7.899 1.00 0.00 H new ATOM 1673 N PRO A 110 125.824 6.879 -4.784 1.00 0.00 N ATOM 1674 CA PRO A 110 125.764 5.508 -4.189 1.00 0.00 C ATOM 1675 C PRO A 110 124.334 4.962 -4.192 1.00 0.00 C ATOM 1676 O PRO A 110 123.395 5.746 -4.075 1.00 0.00 O ATOM 1677 CB PRO A 110 126.274 5.700 -2.761 1.00 0.00 C ATOM 1678 CG PRO A 110 125.944 7.113 -2.417 1.00 0.00 C ATOM 1679 CD PRO A 110 125.971 7.901 -3.728 1.00 0.00 C ATOM 0 HA PRO A 110 126.355 4.786 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.793 5.004 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.347 5.519 -2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.963 7.178 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.666 7.517 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.162 8.631 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.904 8.453 -3.839 1.00 0.00 H new ATOM 1687 N PRO A 111 124.130 3.667 -4.324 1.00 0.00 N ATOM 1688 CA PRO A 111 122.748 3.100 -4.396 1.00 0.00 C ATOM 1689 C PRO A 111 122.059 3.052 -3.033 1.00 0.00 C ATOM 1690 O PRO A 111 122.718 3.074 -1.994 1.00 0.00 O ATOM 1691 CB PRO A 111 122.950 1.695 -4.963 1.00 0.00 C ATOM 1692 CG PRO A 111 124.344 1.307 -4.602 1.00 0.00 C ATOM 1693 CD PRO A 111 125.144 2.597 -4.417 1.00 0.00 C ATOM 0 HA PRO A 111 122.094 3.718 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.228 0.996 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.809 1.686 -6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.353 0.715 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.786 0.690 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.757 2.555 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.820 2.766 -5.255 1.00 0.00 H new ATOM 1701 N ILE A 112 120.728 2.987 -3.048 1.00 0.00 N ATOM 1702 CA ILE A 112 119.954 2.934 -1.805 1.00 0.00 C ATOM 1703 C ILE A 112 120.296 1.696 -0.957 1.00 0.00 C ATOM 1704 O ILE A 112 119.944 1.664 0.220 1.00 0.00 O ATOM 1705 CB ILE A 112 118.445 2.969 -2.120 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.128 4.255 -2.891 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.623 2.954 -0.819 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.675 4.247 -3.379 1.00 0.00 C ATOM 0 H ILE A 112 120.166 2.970 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 112 120.222 3.811 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 112 118.187 2.092 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.297 5.121 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.803 4.351 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.560 2.979 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.847 2.047 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.879 3.826 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.469 5.168 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.517 3.393 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.004 4.174 -2.523 1.00 0.00 H new ATOM 1720 N THR A 113 121.018 0.718 -1.512 1.00 0.00 N ATOM 1721 CA THR A 113 121.234 -0.561 -0.831 1.00 0.00 C ATOM 1722 C THR A 113 121.580 -0.467 0.667 1.00 0.00 C ATOM 1723 O THR A 113 121.038 -1.275 1.424 1.00 0.00 O ATOM 1724 CB THR A 113 122.245 -1.437 -1.596 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.060 -2.791 -1.210 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.704 -1.046 -1.327 1.00 0.00 C ATOM 0 H THR A 113 121.461 0.787 -2.428 1.00 0.00 H new ATOM 0 HA THR A 113 120.259 -1.047 -0.846 1.00 0.00 H new ATOM 0 HB THR A 113 122.059 -1.290 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.697 -3.359 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.366 -1.700 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.866 -0.012 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.918 -1.148 -0.263 1.00 0.00 H new ATOM 1734 N PRO A 114 122.387 0.468 1.152 1.00 0.00 N ATOM 1735 CA PRO A 114 122.785 0.462 2.600 1.00 0.00 C ATOM 1736 C PRO A 114 121.580 0.562 3.537 1.00 0.00 C ATOM 1737 O PRO A 114 121.599 0.015 4.639 1.00 0.00 O ATOM 1738 CB PRO A 114 123.713 1.672 2.764 1.00 0.00 C ATOM 1739 CG PRO A 114 124.141 2.029 1.383 1.00 0.00 C ATOM 1740 CD PRO A 114 122.971 1.648 0.483 1.00 0.00 C ATOM 0 HA PRO A 114 123.274 -0.475 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.195 2.503 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.571 1.428 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.366 3.093 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.045 1.490 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.249 2.460 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.303 1.412 -0.528 1.00 0.00 H new ATOM 1748 N ILE A 115 120.537 1.259 3.096 1.00 0.00 N ATOM 1749 CA ILE A 115 119.321 1.413 3.905 1.00 0.00 C ATOM 1750 C ILE A 115 118.202 0.443 3.508 1.00 0.00 C ATOM 1751 O ILE A 115 117.094 0.558 4.023 1.00 0.00 O ATOM 1752 CB ILE A 115 118.782 2.851 3.833 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.671 3.322 2.373 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.705 3.792 4.611 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.903 4.649 2.290 1.00 0.00 C ATOM 0 H ILE A 115 120.504 1.725 2.189 1.00 0.00 H new ATOM 0 HA ILE A 115 119.622 1.177 4.926 1.00 0.00 H new ATOM 0 HB ILE A 115 117.787 2.867 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.667 3.445 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.162 2.563 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.318 4.809 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.751 3.477 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.705 3.761 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.835 4.966 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.900 4.515 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.428 5.410 2.867 1.00 0.00 H new ATOM 1767 N ARG A 116 118.469 -0.503 2.609 1.00 0.00 N ATOM 1768 CA ARG A 116 117.448 -1.457 2.183 1.00 0.00 C ATOM 1769 C ARG A 116 117.254 -2.539 3.242 1.00 0.00 C ATOM 1770 O ARG A 116 118.222 -3.046 3.807 1.00 0.00 O ATOM 1771 CB ARG A 116 117.871 -2.090 0.855 1.00 0.00 C ATOM 1772 CG ARG A 116 116.739 -2.964 0.310 1.00 0.00 C ATOM 1773 CD ARG A 116 117.118 -3.468 -1.084 1.00 0.00 C ATOM 1774 NE ARG A 116 118.233 -4.415 -0.996 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.513 -5.319 -1.949 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.790 -5.434 -3.037 1.00 0.00 N ATOM 1777 NH2 ARG A 116 119.536 -6.111 -1.786 1.00 0.00 N ATOM 0 H ARG A 116 119.378 -0.629 2.164 1.00 0.00 H new ATOM 0 HA ARG A 116 116.501 -0.933 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.120 -1.311 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.769 -2.691 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.560 -3.807 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.812 -2.392 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.259 -3.950 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.395 -2.627 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 116 118.827 -4.386 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 116 116.985 -4.825 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.033 -6.133 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.109 -6.038 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 116 119.764 -6.804 -2.499 1.00 0.00 H new ATOM 1791 N ALA A 117 115.998 -2.891 3.506 1.00 0.00 N ATOM 1792 CA ALA A 117 115.685 -3.853 4.556 1.00 0.00 C ATOM 1793 C ALA A 117 115.831 -5.291 4.068 1.00 0.00 C ATOM 1794 O ALA A 117 115.499 -5.612 2.927 1.00 0.00 O ATOM 1795 CB ALA A 117 114.250 -3.637 5.036 1.00 0.00 C ATOM 0 H ALA A 117 115.185 -2.526 3.009 1.00 0.00 H new ATOM 0 HA ALA A 117 116.391 -3.694 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.017 -4.356 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.146 -2.625 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.563 -3.775 4.201 1.00 0.00 H new ATOM 1801 N LYS A 118 116.321 -6.152 4.952 1.00 0.00 N ATOM 1802 CA LYS A 118 116.403 -7.578 4.658 1.00 0.00 C ATOM 1803 C LYS A 118 115.274 -8.319 5.368 1.00 0.00 C ATOM 1804 O LYS A 118 114.948 -8.012 6.514 1.00 0.00 O ATOM 1805 CB LYS A 118 117.750 -8.132 5.126 1.00 0.00 C ATOM 1806 CG LYS A 118 117.884 -9.592 4.687 1.00 0.00 C ATOM 1807 CD LYS A 118 119.267 -10.118 5.075 1.00 0.00 C ATOM 1808 CE LYS A 118 119.368 -10.215 6.599 1.00 0.00 C ATOM 1809 NZ LYS A 118 120.432 -11.193 6.964 1.00 0.00 N ATOM 0 H LYS A 118 116.666 -5.889 5.875 1.00 0.00 H new ATOM 0 HA LYS A 118 116.310 -7.722 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 118 118.564 -7.540 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 118 117.828 -8.059 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 118 117.108 -10.197 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 118 117.742 -9.673 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 118 119.434 -11.097 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 118 120.041 -9.454 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 118 119.597 -9.237 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 118 118.412 -10.528 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 120.502 -11.260 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 120.195 -12.127 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 121.343 -10.876 6.576 1.00 0.00 H new ATOM 1823 N GLY A 119 114.682 -9.295 4.687 1.00 0.00 N ATOM 1824 CA GLY A 119 113.597 -10.073 5.277 1.00 0.00 C ATOM 1825 C GLY A 119 114.097 -11.420 5.789 1.00 0.00 C ATOM 1826 O GLY A 119 115.055 -11.979 5.254 1.00 0.00 O ATOM 0 H GLY A 119 114.932 -9.565 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 119 113.149 -9.513 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 119 112.814 -10.231 4.535 1.00 0.00 H new ATOM 1830 N SER A 120 113.446 -11.936 6.826 1.00 0.00 N ATOM 1831 CA SER A 120 113.844 -13.217 7.401 1.00 0.00 C ATOM 1832 C SER A 120 113.807 -14.315 6.342 1.00 0.00 C ATOM 1833 O SER A 120 114.693 -15.167 6.287 1.00 0.00 O ATOM 1834 CB SER A 120 112.910 -13.585 8.554 1.00 0.00 C ATOM 1835 OG SER A 120 113.413 -14.740 9.211 1.00 0.00 O ATOM 0 H SER A 120 112.648 -11.493 7.282 1.00 0.00 H new ATOM 0 HA SER A 120 114.863 -13.124 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 120 112.836 -12.755 9.257 1.00 0.00 H new ATOM 0 HB3 SER A 120 111.905 -13.775 8.177 1.00 0.00 H new ATOM 0 HG SER A 120 112.819 -14.980 9.952 1.00 0.00 H new ATOM 1841 N GLY A 121 112.774 -14.289 5.504 1.00 0.00 N ATOM 1842 CA GLY A 121 112.656 -15.263 4.425 1.00 0.00 C ATOM 1843 C GLY A 121 113.105 -14.657 3.101 1.00 0.00 C ATOM 1844 O GLY A 121 113.358 -13.455 3.014 1.00 0.00 O ATOM 0 H GLY A 121 112.014 -13.611 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 121 113.261 -16.141 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 121 111.623 -15.600 4.344 1.00 0.00 H new ATOM 1848 N GLY A 122 113.204 -15.492 2.073 1.00 0.00 N ATOM 1849 CA GLY A 122 113.598 -15.014 0.753 1.00 0.00 C ATOM 1850 C GLY A 122 114.965 -14.338 0.802 1.00 0.00 C ATOM 1851 O GLY A 122 115.963 -14.958 1.170 1.00 0.00 O ATOM 0 H GLY A 122 113.019 -16.494 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 122 113.626 -15.849 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 122 112.854 -14.311 0.380 1.00 0.00 H new ATOM 1855 N GLY A 123 114.998 -13.064 0.426 1.00 0.00 N ATOM 1856 CA GLY A 123 116.247 -12.310 0.417 1.00 0.00 C ATOM 1857 C GLY A 123 116.020 -10.874 0.876 1.00 0.00 C ATOM 1858 O GLY A 123 115.577 -10.629 1.998 1.00 0.00 O ATOM 0 H GLY A 123 114.180 -12.534 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.973 -12.794 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 123 116.670 -12.312 -0.587 1.00 0.00 H new ATOM 1862 N TYR A 124 116.332 -9.922 0.004 1.00 0.00 N ATOM 1863 CA TYR A 124 116.158 -8.510 0.326 1.00 0.00 C ATOM 1864 C TYR A 124 114.908 -7.960 -0.350 1.00 0.00 C ATOM 1865 O TYR A 124 114.510 -8.427 -1.417 1.00 0.00 O ATOM 1866 CB TYR A 124 117.389 -7.721 -0.122 1.00 0.00 C ATOM 1867 CG TYR A 124 118.561 -7.866 0.819 1.00 0.00 C ATOM 1868 CD1 TYR A 124 118.972 -9.139 1.230 1.00 0.00 C ATOM 1869 CD2 TYR A 124 119.243 -6.731 1.271 1.00 0.00 C ATOM 1870 CE1 TYR A 124 120.065 -9.276 2.093 1.00 0.00 C ATOM 1871 CE2 TYR A 124 120.335 -6.868 2.135 1.00 0.00 C ATOM 1872 CZ TYR A 124 120.746 -8.142 2.548 1.00 0.00 C ATOM 1873 OH TYR A 124 121.824 -8.277 3.399 1.00 0.00 O ATOM 0 H TYR A 124 116.705 -10.101 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 124 116.041 -8.407 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 124 117.685 -8.056 -1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 124 117.126 -6.666 -0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 124 118.446 -10.015 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 124 118.926 -5.749 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 124 120.383 -10.259 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 124 120.861 -5.992 2.484 1.00 0.00 H new ATOM 0 HH TYR A 124 122.182 -7.391 3.617 1.00 0.00 H new ATOM 1883 N ILE A 125 114.296 -6.963 0.279 1.00 0.00 N ATOM 1884 CA ILE A 125 113.022 -6.437 -0.198 1.00 0.00 C ATOM 1885 C ILE A 125 113.243 -5.486 -1.373 1.00 0.00 C ATOM 1886 O ILE A 125 114.054 -4.563 -1.300 1.00 0.00 O ATOM 1887 CB ILE A 125 112.303 -5.733 0.961 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.067 -6.742 2.094 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.952 -5.181 0.497 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.577 -6.028 3.357 1.00 0.00 C ATOM 0 H ILE A 125 114.658 -6.505 1.115 1.00 0.00 H new ATOM 0 HA ILE A 125 112.397 -7.256 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 125 112.923 -4.908 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.332 -7.484 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.991 -7.279 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.456 -4.685 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.109 -4.465 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.328 -6.000 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.415 -6.759 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.325 -5.304 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.641 -5.512 3.143 1.00 0.00 H new ATOM 1902 N SER A 126 112.506 -5.726 -2.454 1.00 0.00 N ATOM 1903 CA SER A 126 112.678 -4.967 -3.689 1.00 0.00 C ATOM 1904 C SER A 126 112.311 -3.499 -3.514 1.00 0.00 C ATOM 1905 O SER A 126 111.346 -3.159 -2.830 1.00 0.00 O ATOM 1906 CB SER A 126 111.807 -5.575 -4.789 1.00 0.00 C ATOM 1907 OG SER A 126 112.182 -6.931 -4.984 1.00 0.00 O ATOM 0 H SER A 126 111.782 -6.443 -2.499 1.00 0.00 H new ATOM 0 HA SER A 126 113.732 -5.019 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.754 -5.512 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.927 -5.015 -5.716 1.00 0.00 H new ATOM 0 HG SER A 126 111.626 -7.326 -5.687 1.00 0.00 H new ATOM 1913 N LEU A 127 113.100 -2.639 -4.148 1.00 0.00 N ATOM 1914 CA LEU A 127 112.776 -1.214 -4.230 1.00 0.00 C ATOM 1915 C LEU A 127 112.002 -0.868 -5.515 1.00 0.00 C ATOM 1916 O LEU A 127 111.796 0.308 -5.813 1.00 0.00 O ATOM 1917 CB LEU A 127 114.064 -0.382 -4.197 1.00 0.00 C ATOM 1918 CG LEU A 127 114.898 -0.725 -2.958 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.204 0.071 -2.989 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.120 -0.360 -1.692 1.00 0.00 C ATOM 0 H LEU A 127 113.969 -2.901 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 127 112.144 -0.980 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.648 -0.570 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.817 0.680 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 127 115.114 -1.793 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.799 -0.171 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.765 -0.185 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 127 115.980 1.138 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.717 -0.606 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.901 0.708 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.186 -0.922 -1.664 1.00 0.00 H new ATOM 1932 N GLY A 128 111.574 -1.875 -6.280 1.00 0.00 N ATOM 1933 CA GLY A 128 110.942 -1.638 -7.576 1.00 0.00 C ATOM 1934 C GLY A 128 109.835 -0.587 -7.510 1.00 0.00 C ATOM 1935 O GLY A 128 109.763 0.292 -8.368 1.00 0.00 O ATOM 0 H GLY A 128 111.654 -2.859 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.699 -1.317 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.527 -2.574 -7.949 1.00 0.00 H new ATOM 1939 N ALA A 129 108.990 -0.659 -6.486 1.00 0.00 N ATOM 1940 CA ALA A 129 107.858 0.259 -6.387 1.00 0.00 C ATOM 1941 C ALA A 129 108.336 1.707 -6.340 1.00 0.00 C ATOM 1942 O ALA A 129 107.865 2.556 -7.100 1.00 0.00 O ATOM 1943 CB ALA A 129 107.040 -0.053 -5.132 1.00 0.00 C ATOM 0 H ALA A 129 109.064 -1.332 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 129 107.233 0.127 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.198 0.636 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.668 -1.076 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.670 0.059 -4.250 1.00 0.00 H new ATOM 1949 N LEU A 130 109.297 1.980 -5.466 1.00 0.00 N ATOM 1950 CA LEU A 130 109.818 3.333 -5.323 1.00 0.00 C ATOM 1951 C LEU A 130 110.386 3.829 -6.649 1.00 0.00 C ATOM 1952 O LEU A 130 110.156 4.970 -7.050 1.00 0.00 O ATOM 1953 CB LEU A 130 110.910 3.348 -4.250 1.00 0.00 C ATOM 1954 CG LEU A 130 111.392 4.780 -4.010 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.305 5.570 -3.279 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.664 4.749 -3.157 1.00 0.00 C ATOM 0 H LEU A 130 109.728 1.290 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 130 109.005 3.996 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.525 2.925 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.746 2.722 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 130 111.605 5.259 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.649 6.590 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.399 5.589 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.091 5.094 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.011 5.768 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.450 4.271 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.438 4.186 -3.678 1.00 0.00 H new ATOM 1968 N LEU A 131 111.104 2.952 -7.343 1.00 0.00 N ATOM 1969 CA LEU A 131 111.730 3.328 -8.605 1.00 0.00 C ATOM 1970 C LEU A 131 110.677 3.778 -9.609 1.00 0.00 C ATOM 1971 O LEU A 131 110.842 4.799 -10.273 1.00 0.00 O ATOM 1972 CB LEU A 131 112.507 2.134 -9.167 1.00 0.00 C ATOM 1973 CG LEU A 131 113.268 2.546 -10.430 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.469 3.409 -10.046 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.756 1.289 -11.156 1.00 0.00 C ATOM 0 H LEU A 131 111.266 1.986 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 131 112.415 4.157 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.206 1.760 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.820 1.319 -9.397 1.00 0.00 H new ATOM 0 HG LEU A 131 112.608 3.116 -11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 131 115.010 3.701 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.124 4.301 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.132 2.841 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.299 1.577 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.417 0.723 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.900 0.672 -11.430 1.00 0.00 H new ATOM 1987 N SER A 132 109.582 3.033 -9.692 1.00 0.00 N ATOM 1988 CA SER A 132 108.541 3.343 -10.664 1.00 0.00 C ATOM 1989 C SER A 132 107.982 4.740 -10.426 1.00 0.00 C ATOM 1990 O SER A 132 107.814 5.518 -11.365 1.00 0.00 O ATOM 1991 CB SER A 132 107.414 2.315 -10.571 1.00 0.00 C ATOM 1992 OG SER A 132 107.959 1.010 -10.718 1.00 0.00 O ATOM 0 H SER A 132 109.393 2.220 -9.106 1.00 0.00 H new ATOM 0 HA SER A 132 108.981 3.307 -11.661 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.903 2.403 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.671 2.501 -11.346 1.00 0.00 H new ATOM 0 HG SER A 132 108.402 0.745 -9.885 1.00 0.00 H new ATOM 1998 N THR A 133 107.732 5.070 -9.162 1.00 0.00 N ATOM 1999 CA THR A 133 107.156 6.369 -8.834 1.00 0.00 C ATOM 2000 C THR A 133 108.075 7.495 -9.296 1.00 0.00 C ATOM 2001 O THR A 133 107.636 8.450 -9.940 1.00 0.00 O ATOM 2002 CB THR A 133 106.926 6.475 -7.325 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.151 5.367 -6.889 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.185 7.775 -7.008 1.00 0.00 C ATOM 0 H THR A 133 107.916 4.467 -8.360 1.00 0.00 H new ATOM 0 HA THR A 133 106.201 6.463 -9.351 1.00 0.00 H new ATOM 0 HB THR A 133 107.886 6.474 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.003 5.431 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.022 7.848 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.780 8.624 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.224 7.780 -7.522 1.00 0.00 H new ATOM 2012 N THR A 134 109.363 7.362 -8.994 1.00 0.00 N ATOM 2013 CA THR A 134 110.318 8.410 -9.336 1.00 0.00 C ATOM 2014 C THR A 134 110.407 8.596 -10.849 1.00 0.00 C ATOM 2015 O THR A 134 110.448 9.724 -11.340 1.00 0.00 O ATOM 2016 CB THR A 134 111.693 8.073 -8.760 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.554 7.803 -7.372 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.636 9.260 -8.959 1.00 0.00 C ATOM 0 H THR A 134 109.765 6.553 -8.521 1.00 0.00 H new ATOM 0 HA THR A 134 109.970 9.347 -8.901 1.00 0.00 H new ATOM 0 HB THR A 134 112.105 7.201 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.226 6.888 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.616 9.019 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.732 9.474 -10.023 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.233 10.134 -8.448 1.00 0.00 H new ATOM 2026 N LEU A 135 110.411 7.491 -11.589 1.00 0.00 N ATOM 2027 CA LEU A 135 110.484 7.565 -13.045 1.00 0.00 C ATOM 2028 C LEU A 135 109.296 8.340 -13.607 1.00 0.00 C ATOM 2029 O LEU A 135 109.445 9.117 -14.551 1.00 0.00 O ATOM 2030 CB LEU A 135 110.510 6.157 -13.645 1.00 0.00 C ATOM 2031 CG LEU A 135 111.801 5.444 -13.238 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.721 3.972 -13.642 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.989 6.097 -13.949 1.00 0.00 C ATOM 0 H LEU A 135 110.365 6.545 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 135 111.402 8.088 -13.313 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.646 5.589 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.442 6.213 -14.731 1.00 0.00 H new ATOM 0 HG LEU A 135 111.931 5.520 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.641 3.465 -13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.874 3.503 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.591 3.898 -14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.910 5.590 -13.660 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.855 6.019 -15.028 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.049 7.148 -13.666 1.00 0.00 H new ATOM 2045 N ASN A 136 108.119 8.127 -13.026 1.00 0.00 N ATOM 2046 CA ASN A 136 106.922 8.824 -13.481 1.00 0.00 C ATOM 2047 C ASN A 136 107.106 10.332 -13.360 1.00 0.00 C ATOM 2048 O ASN A 136 106.725 11.087 -14.255 1.00 0.00 O ATOM 2049 CB ASN A 136 105.714 8.383 -12.651 1.00 0.00 C ATOM 2050 CG ASN A 136 105.432 6.900 -12.871 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.824 6.333 -13.892 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.769 6.232 -11.966 1.00 0.00 N ATOM 0 H ASN A 136 107.970 7.485 -12.248 1.00 0.00 H new ATOM 0 HA ASN A 136 106.751 8.574 -14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.902 8.571 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.839 8.971 -12.929 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.575 5.240 -12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.445 6.702 -11.121 1.00 0.00 H new ATOM 2059 N LEU A 137 107.691 10.765 -12.247 1.00 0.00 N ATOM 2060 CA LEU A 137 107.945 12.191 -12.045 1.00 0.00 C ATOM 2061 C LEU A 137 108.903 12.733 -13.098 1.00 0.00 C ATOM 2062 O LEU A 137 108.729 13.845 -13.597 1.00 0.00 O ATOM 2063 CB LEU A 137 108.562 12.429 -10.663 1.00 0.00 C ATOM 2064 CG LEU A 137 107.640 11.905 -9.560 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.320 12.109 -8.203 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.314 12.670 -9.581 1.00 0.00 C ATOM 0 H LEU A 137 107.994 10.162 -11.482 1.00 0.00 H new ATOM 0 HA LEU A 137 106.989 12.708 -12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.530 11.932 -10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.741 13.494 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 137 107.444 10.845 -9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.670 11.738 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.263 11.563 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.512 13.171 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.663 12.291 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.503 13.731 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.830 12.533 -10.548 1.00 0.00 H new ATOM 2078 N CYS A 138 109.914 11.940 -13.434 1.00 0.00 N ATOM 2079 CA CYS A 138 110.907 12.358 -14.422 1.00 0.00 C ATOM 2080 C CYS A 138 110.288 12.575 -15.807 1.00 0.00 C ATOM 2081 O CYS A 138 110.823 13.338 -16.611 1.00 0.00 O ATOM 2082 CB CYS A 138 112.021 11.312 -14.520 1.00 0.00 C ATOM 2083 SG CYS A 138 112.906 11.093 -12.944 1.00 0.00 S ATOM 0 H CYS A 138 110.069 11.011 -13.042 1.00 0.00 H new ATOM 0 HA CYS A 138 111.317 13.311 -14.086 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.594 10.358 -14.830 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.729 11.610 -15.293 1.00 0.00 H new ATOM 2088 N GLY A 139 109.168 11.912 -16.090 1.00 0.00 N ATOM 2089 CA GLY A 139 108.509 12.058 -17.386 1.00 0.00 C ATOM 2090 C GLY A 139 109.045 11.077 -18.434 1.00 0.00 C ATOM 2091 O GLY A 139 108.924 11.327 -19.634 1.00 0.00 O ATOM 0 H GLY A 139 108.701 11.274 -15.445 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.437 11.903 -17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.645 13.078 -17.746 1.00 0.00 H new ATOM 2095 N LYS A 140 109.633 9.966 -17.991 1.00 0.00 N ATOM 2096 CA LYS A 140 110.159 8.969 -18.918 1.00 0.00 C ATOM 2097 C LYS A 140 109.137 7.861 -19.147 1.00 0.00 C ATOM 2098 O LYS A 140 108.396 7.488 -18.236 1.00 0.00 O ATOM 2099 CB LYS A 140 111.451 8.368 -18.362 1.00 0.00 C ATOM 2100 CG LYS A 140 112.524 9.455 -18.271 1.00 0.00 C ATOM 2101 CD LYS A 140 113.846 8.832 -17.818 1.00 0.00 C ATOM 2102 CE LYS A 140 114.887 9.934 -17.612 1.00 0.00 C ATOM 2103 NZ LYS A 140 115.257 10.521 -18.931 1.00 0.00 N ATOM 0 H LYS A 140 109.756 9.736 -17.005 1.00 0.00 H new ATOM 0 HA LYS A 140 110.368 9.458 -19.869 1.00 0.00 H new ATOM 0 HB2 LYS A 140 111.270 7.938 -17.377 1.00 0.00 H new ATOM 0 HB3 LYS A 140 111.793 7.557 -19.005 1.00 0.00 H new ATOM 0 HG2 LYS A 140 112.651 9.938 -19.240 1.00 0.00 H new ATOM 0 HG3 LYS A 140 112.214 10.228 -17.568 1.00 0.00 H new ATOM 0 HD2 LYS A 140 113.700 8.278 -16.891 1.00 0.00 H new ATOM 0 HD3 LYS A 140 114.198 8.119 -18.564 1.00 0.00 H new ATOM 0 HE2 LYS A 140 114.488 10.708 -16.957 1.00 0.00 H new ATOM 0 HE3 LYS A 140 115.771 9.527 -17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 116.110 11.106 -18.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 115.444 9.757 -19.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 114.475 11.111 -19.280 1.00 0.00 H new ATOM 2117 N GLY A 141 109.101 7.339 -20.369 1.00 0.00 N ATOM 2118 CA GLY A 141 108.164 6.273 -20.706 1.00 0.00 C ATOM 2119 C GLY A 141 108.740 4.907 -20.351 1.00 0.00 C ATOM 2120 O GLY A 141 108.169 4.248 -19.498 1.00 0.00 O ATOM 2121 OXT GLY A 141 109.744 4.539 -20.938 1.00 0.00 O ATOM 0 H GLY A 141 109.704 7.634 -21.137 1.00 0.00 H new ATOM 0 HA2 GLY A 141 107.226 6.426 -20.172 1.00 0.00 H new ATOM 0 HA3 GLY A 141 107.934 6.309 -21.771 1.00 0.00 H new TER 2125 GLY A 141