USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 895 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 85 MET CE :methyl 176:sc= -0.841 (180deg=-1.03) USER MOD Set 1.2: A 103 THR OG1 : rot -45:sc= 0.512 USER MOD Set 2.1: A 65 MET CE :methyl 155:sc= -1.54 (180deg=-2.35!) USER MOD Set 2.2: A 83 SER OG : rot 111:sc= 1.13 USER MOD Set 3.1: A 43 MET CE :methyl 175:sc=-0.00211 (180deg=-0.0368) USER MOD Set 3.2: A 110 TYR OH : rot 180:sc= -0.0989 USER MOD Set 4.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 SER OG : rot 40:sc= 0.00962 USER MOD Set 5.1: A 9 HIS : no HD1:sc= -0.557 X(o=-2.9,f=-2.6) USER MOD Set 5.2: A 10 HIS : no HE2:sc= -2.31 K(o=-2.9,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0405 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.353 F(o=-1,f=-0.35) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0611 F(o=-2.7!,f=-0.061) USER MOD Single : A 16 SER OG : rot 55:sc= 1.26 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -170:sc= -0.0881 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00903 X(o=-0.009,f=-0.38) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -156:sc= -0.284 (180deg=-0.418) USER MOD Single : A 38 MET CE :methyl -115:sc= -0.631 (180deg=-1.4!) USER MOD Single : A 42 SER OG : rot 40:sc= 0.154 USER MOD Single : A 45 ASN : amide:sc= 2.01 K(o=2,f=-5.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0878 K(o=-0.088,f=-3.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -37:sc= 0.625 USER MOD Single : A 68 MET CE :methyl -174:sc= 0 (180deg=-0.0664) USER MOD Single : A 69 MET CE :methyl 173:sc= -0.329 (180deg=-0.582) USER MOD Single : A 72 ASN : amide:sc= -0.893 K(o=-0.89,f=-11!) USER MOD Single : A 74 GLN : amide:sc= 0.62 K(o=0.62,f=-0.64) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 80 ASN : amide:sc= -0.0972 K(o=-0.097,f=-1.4!) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.711 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc=-0.00559 (180deg=-0.153) USER MOD Single : A 91 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 98 GLN : amide:sc=-0.00774 X(o=-0.0077,f=0) USER MOD Single : A 100 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00599) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.228 F(o=-1.6,f=-0.23) USER MOD Single : A 107 THR OG1 : rot 54:sc= 1.25 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.977 2.543 -7.065 1.00 0.00 N ATOM 2 CA MET A 1 17.030 1.449 -6.916 1.00 0.00 C ATOM 3 C MET A 1 16.345 1.555 -5.552 1.00 0.00 C ATOM 4 O MET A 1 16.970 1.962 -4.566 1.00 0.00 O ATOM 5 CB MET A 1 17.757 0.105 -7.097 1.00 0.00 C ATOM 6 CG MET A 1 16.841 -1.111 -6.900 1.00 0.00 C ATOM 7 SD MET A 1 17.435 -2.621 -7.707 1.00 0.00 S ATOM 8 CE MET A 1 16.085 -3.756 -7.287 1.00 0.00 C ATOM 0 H1 MET A 1 18.772 2.235 -7.660 1.00 0.00 H new ATOM 0 H2 MET A 1 17.503 3.354 -7.513 1.00 0.00 H new ATOM 0 H3 MET A 1 18.333 2.824 -6.129 1.00 0.00 H new ATOM 0 HA MET A 1 16.258 1.508 -7.683 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.191 0.066 -8.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.583 0.048 -6.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.732 -1.301 -5.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.849 -0.872 -7.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.292 -4.739 -7.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.002 -3.837 -6.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.149 -3.375 -7.695 1.00 0.00 H new ATOM 18 N VAL A 2 15.071 1.157 -5.501 1.00 0.00 N ATOM 19 CA VAL A 2 14.325 1.117 -4.258 1.00 0.00 C ATOM 20 C VAL A 2 15.080 0.266 -3.241 1.00 0.00 C ATOM 21 O VAL A 2 15.465 -0.867 -3.535 1.00 0.00 O ATOM 22 CB VAL A 2 12.873 0.665 -4.486 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.721 -0.702 -5.164 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.111 0.625 -3.156 1.00 0.00 C ATOM 0 H VAL A 2 14.539 0.857 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 2 14.246 2.122 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 2 12.459 1.407 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.663 -0.934 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.198 -0.677 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.194 -1.468 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.085 0.303 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.599 -0.076 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.107 1.619 -2.709 1.00 0.00 H new ATOM 34 N THR A 3 15.280 0.802 -2.040 1.00 0.00 N ATOM 35 CA THR A 3 15.997 0.111 -0.987 1.00 0.00 C ATOM 36 C THR A 3 15.106 -0.015 0.254 1.00 0.00 C ATOM 37 O THR A 3 14.136 0.724 0.376 1.00 0.00 O ATOM 38 CB THR A 3 17.328 0.840 -0.730 1.00 0.00 C ATOM 39 OG1 THR A 3 17.408 2.143 -1.288 1.00 0.00 O ATOM 40 CG2 THR A 3 18.469 0.064 -1.359 1.00 0.00 C ATOM 0 H THR A 3 14.947 1.729 -1.775 1.00 0.00 H new ATOM 0 HA THR A 3 16.245 -0.909 -1.281 1.00 0.00 H new ATOM 0 HB THR A 3 17.390 0.915 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 3 18.281 2.536 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.409 0.585 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.515 -0.934 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.305 -0.017 -2.433 1.00 0.00 H new ATOM 48 N PRO A 4 15.388 -0.943 1.182 1.00 0.00 N ATOM 49 CA PRO A 4 14.508 -1.208 2.321 1.00 0.00 C ATOM 50 C PRO A 4 14.508 -0.075 3.345 1.00 0.00 C ATOM 51 O PRO A 4 13.497 0.210 3.988 1.00 0.00 O ATOM 52 CB PRO A 4 15.046 -2.499 2.932 1.00 0.00 C ATOM 53 CG PRO A 4 16.500 -2.587 2.482 1.00 0.00 C ATOM 54 CD PRO A 4 16.516 -1.858 1.149 1.00 0.00 C ATOM 0 HA PRO A 4 13.469 -1.292 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.972 -2.479 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.476 -3.363 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.170 -2.117 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.823 -3.623 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.453 -1.318 1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.426 -2.559 0.319 1.00 0.00 H new ATOM 62 N GLU A 5 15.678 0.521 3.541 1.00 0.00 N ATOM 63 CA GLU A 5 15.934 1.616 4.476 1.00 0.00 C ATOM 64 C GLU A 5 15.022 2.800 4.145 1.00 0.00 C ATOM 65 O GLU A 5 14.202 3.170 4.982 1.00 0.00 O ATOM 66 CB GLU A 5 17.436 1.933 4.468 1.00 0.00 C ATOM 67 CG GLU A 5 18.018 2.231 5.862 1.00 0.00 C ATOM 68 CD GLU A 5 17.779 3.658 6.357 1.00 0.00 C ATOM 69 OE1 GLU A 5 16.619 3.998 6.674 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.749 4.448 6.392 1.00 0.00 O ATOM 0 H GLU A 5 16.515 0.243 3.029 1.00 0.00 H new ATOM 0 HA GLU A 5 15.687 1.341 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.973 1.090 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.613 2.792 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.585 1.534 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.091 2.042 5.842 1.00 0.00 H new ATOM 77 N GLN A 6 15.048 3.269 2.888 1.00 0.00 N ATOM 78 CA GLN A 6 14.225 4.364 2.351 1.00 0.00 C ATOM 79 C GLN A 6 12.713 4.057 2.268 1.00 0.00 C ATOM 80 O GLN A 6 12.001 4.579 1.408 1.00 0.00 O ATOM 81 CB GLN A 6 14.787 4.803 0.988 1.00 0.00 C ATOM 82 CG GLN A 6 14.675 3.761 -0.122 1.00 0.00 C ATOM 83 CD GLN A 6 15.067 4.353 -1.468 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.279 4.093 -2.492 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 16.075 5.034 -1.611 1.00 0.00 N flip ATOM 0 H GLN A 6 15.673 2.876 2.185 1.00 0.00 H new ATOM 0 HA GLN A 6 14.292 5.183 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.266 5.707 0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.837 5.067 1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.318 2.911 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.653 3.384 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.677 5.228 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.312 5.407 -2.530 1.00 0.00 H new ATOM 94 N LEU A 7 12.224 3.144 3.105 1.00 0.00 N ATOM 95 CA LEU A 7 10.857 2.663 3.179 1.00 0.00 C ATOM 96 C LEU A 7 10.485 2.452 4.650 1.00 0.00 C ATOM 97 O LEU A 7 9.449 2.948 5.085 1.00 0.00 O ATOM 98 CB LEU A 7 10.743 1.334 2.426 1.00 0.00 C ATOM 99 CG LEU A 7 11.029 1.353 0.908 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.960 -0.087 0.373 1.00 0.00 C ATOM 101 CD2 LEU A 7 10.058 2.204 0.085 1.00 0.00 C ATOM 0 H LEU A 7 12.821 2.692 3.797 1.00 0.00 H new ATOM 0 HA LEU A 7 10.182 3.391 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.428 0.624 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.735 0.948 2.574 1.00 0.00 H new ATOM 0 HG LEU A 7 12.016 1.802 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.160 -0.087 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.704 -0.700 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.966 -0.496 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.336 2.158 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.044 1.823 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.101 3.238 0.427 1.00 0.00 H new ATOM 113 N GLN A 8 11.340 1.748 5.412 1.00 0.00 N ATOM 114 CA GLN A 8 11.243 1.349 6.825 1.00 0.00 C ATOM 115 C GLN A 8 10.828 2.409 7.850 1.00 0.00 C ATOM 116 O GLN A 8 10.624 2.054 9.007 1.00 0.00 O ATOM 117 CB GLN A 8 12.600 0.735 7.246 1.00 0.00 C ATOM 118 CG GLN A 8 12.508 -0.807 7.339 1.00 0.00 C ATOM 119 CD GLN A 8 13.743 -1.624 6.971 1.00 0.00 C ATOM 120 OE1 GLN A 8 14.700 -1.043 6.274 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 13.786 -2.825 7.222 1.00 0.00 N flip ATOM 0 H GLN A 8 12.212 1.408 5.007 1.00 0.00 H new ATOM 0 HA GLN A 8 10.410 0.646 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.368 1.014 6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.904 1.143 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.231 -1.063 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.690 -1.132 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.038 -3.260 7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.569 -3.388 6.890 1.00 0.00 H new ATOM 130 N HIS A 9 10.691 3.671 7.469 1.00 0.00 N ATOM 131 CA HIS A 9 10.190 4.709 8.373 1.00 0.00 C ATOM 132 C HIS A 9 9.352 5.773 7.656 1.00 0.00 C ATOM 133 O HIS A 9 9.033 6.803 8.261 1.00 0.00 O ATOM 134 CB HIS A 9 11.361 5.337 9.140 1.00 0.00 C ATOM 135 CG HIS A 9 12.295 6.093 8.239 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.064 7.345 7.706 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.445 5.597 7.685 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.053 7.599 6.845 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.943 6.594 6.839 1.00 0.00 N ATOM 0 H HIS A 9 10.920 4.007 6.534 1.00 0.00 H new ATOM 0 HA HIS A 9 9.514 4.231 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.972 6.011 9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.914 4.554 9.658 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.882 4.626 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.126 8.489 6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.818 6.563 6.316 1.00 0.00 H new ATOM 147 N HIS A 10 8.981 5.552 6.394 1.00 0.00 N ATOM 148 CA HIS A 10 8.246 6.516 5.587 1.00 0.00 C ATOM 149 C HIS A 10 6.758 6.135 5.551 1.00 0.00 C ATOM 150 O HIS A 10 6.378 4.982 5.795 1.00 0.00 O ATOM 151 CB HIS A 10 8.835 6.544 4.168 1.00 0.00 C ATOM 152 CG HIS A 10 10.300 6.912 4.062 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.830 8.064 3.516 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.354 6.092 4.363 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.164 7.920 3.469 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.525 6.734 3.964 1.00 0.00 N ATOM 0 H HIS A 10 9.188 4.684 5.900 1.00 0.00 H new ATOM 0 HA HIS A 10 8.336 7.510 6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.695 5.561 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.259 7.252 3.572 1.00 0.00 H new ATOM 0 HD1 HIS A 10 10.302 8.879 3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.290 5.119 4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.850 8.661 3.084 1.00 0.00 H new ATOM 164 N ARG A 11 5.906 7.078 5.140 1.00 0.00 N ATOM 165 CA ARG A 11 4.477 6.883 4.898 1.00 0.00 C ATOM 166 C ARG A 11 4.172 7.379 3.500 1.00 0.00 C ATOM 167 O ARG A 11 4.747 8.362 3.032 1.00 0.00 O ATOM 168 CB ARG A 11 3.666 7.652 5.949 1.00 0.00 C ATOM 169 CG ARG A 11 2.141 7.740 5.724 1.00 0.00 C ATOM 170 CD ARG A 11 1.553 8.751 6.727 1.00 0.00 C ATOM 171 NE ARG A 11 0.261 8.322 7.293 1.00 0.00 N ATOM 172 CZ ARG A 11 0.073 7.660 8.442 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.087 7.184 9.143 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.155 7.465 8.900 1.00 0.00 N ATOM 0 H ARG A 11 6.207 8.036 4.960 1.00 0.00 H new ATOM 0 HA ARG A 11 4.207 5.830 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.840 7.187 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.060 8.667 6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.927 8.053 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.681 6.761 5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.265 8.904 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.424 9.713 6.230 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.574 8.553 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.043 7.317 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.914 6.684 10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.956 7.819 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.299 6.961 9.775 1.00 0.00 H new ATOM 188 N PHE A 12 3.233 6.704 2.857 1.00 0.00 N ATOM 189 CA PHE A 12 2.763 6.993 1.522 1.00 0.00 C ATOM 190 C PHE A 12 1.247 6.883 1.586 1.00 0.00 C ATOM 191 O PHE A 12 0.702 6.072 2.337 1.00 0.00 O ATOM 192 CB PHE A 12 3.371 5.958 0.564 1.00 0.00 C ATOM 193 CG PHE A 12 4.842 6.156 0.250 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.835 5.828 1.194 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.223 6.671 -1.003 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.191 6.056 0.903 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.577 6.898 -1.292 1.00 0.00 C ATOM 198 CZ PHE A 12 7.562 6.600 -0.334 1.00 0.00 C ATOM 0 H PHE A 12 2.759 5.904 3.276 1.00 0.00 H new ATOM 0 HA PHE A 12 3.051 7.982 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.238 4.966 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.810 5.978 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.553 5.400 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.470 6.892 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.948 5.812 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.863 7.302 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.603 6.790 -0.551 1.00 0.00 H new ATOM 208 N VAL A 13 0.563 7.677 0.778 1.00 0.00 N ATOM 209 CA VAL A 13 -0.896 7.718 0.664 1.00 0.00 C ATOM 210 C VAL A 13 -1.274 7.432 -0.776 1.00 0.00 C ATOM 211 O VAL A 13 -0.507 7.783 -1.685 1.00 0.00 O ATOM 212 CB VAL A 13 -1.469 9.080 1.091 1.00 0.00 C ATOM 213 CG1 VAL A 13 -2.947 8.994 1.463 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.659 9.675 2.241 1.00 0.00 C ATOM 0 H VAL A 13 1.024 8.341 0.155 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.317 6.966 1.332 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.391 9.742 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.306 9.980 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.518 8.641 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.073 8.299 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.084 10.638 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.689 8.999 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.375 9.814 1.924 1.00 0.00 H new ATOM 224 N LEU A 14 -2.440 6.813 -0.970 1.00 0.00 N ATOM 225 CA LEU A 14 -2.937 6.437 -2.276 1.00 0.00 C ATOM 226 C LEU A 14 -3.498 7.666 -2.991 1.00 0.00 C ATOM 227 O LEU A 14 -4.698 7.911 -2.982 1.00 0.00 O ATOM 228 CB LEU A 14 -3.979 5.304 -2.144 1.00 0.00 C ATOM 229 CG LEU A 14 -4.363 4.609 -3.470 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.199 4.330 -4.433 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.030 3.269 -3.132 1.00 0.00 C ATOM 0 H LEU A 14 -3.068 6.559 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.120 6.050 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.590 4.552 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.882 5.713 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.021 5.306 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.578 3.841 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.720 5.270 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.471 3.681 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.310 2.759 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.333 2.647 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.921 3.448 -2.531 1.00 0.00 H new ATOM 243 N GLU A 15 -2.610 8.464 -3.581 1.00 0.00 N ATOM 244 CA GLU A 15 -2.963 9.682 -4.309 1.00 0.00 C ATOM 245 C GLU A 15 -3.871 9.340 -5.497 1.00 0.00 C ATOM 246 O GLU A 15 -4.766 10.119 -5.825 1.00 0.00 O ATOM 247 CB GLU A 15 -1.667 10.386 -4.767 1.00 0.00 C ATOM 248 CG GLU A 15 -1.441 11.814 -4.248 1.00 0.00 C ATOM 249 CD GLU A 15 -2.143 12.902 -5.069 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.313 13.209 -4.754 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.498 13.531 -5.941 1.00 0.00 O ATOM 0 H GLU A 15 -1.607 8.279 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.516 10.361 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.819 9.773 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.661 10.414 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.789 11.872 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.370 12.018 -4.236 1.00 0.00 H new ATOM 258 N SER A 16 -3.674 8.186 -6.154 1.00 0.00 N ATOM 259 CA SER A 16 -4.525 7.727 -7.246 1.00 0.00 C ATOM 260 C SER A 16 -4.285 6.246 -7.569 1.00 0.00 C ATOM 261 O SER A 16 -3.154 5.749 -7.530 1.00 0.00 O ATOM 262 CB SER A 16 -4.235 8.595 -8.472 1.00 0.00 C ATOM 263 OG SER A 16 -5.029 9.769 -8.421 1.00 0.00 O ATOM 0 H SER A 16 -2.911 7.545 -5.935 1.00 0.00 H new ATOM 0 HA SER A 16 -5.570 7.820 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.178 8.859 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.450 8.038 -9.384 1.00 0.00 H new ATOM 0 HG SER A 16 -4.872 10.233 -7.572 1.00 0.00 H new ATOM 269 N VAL A 17 -5.358 5.539 -7.922 1.00 0.00 N ATOM 270 CA VAL A 17 -5.394 4.111 -8.222 1.00 0.00 C ATOM 271 C VAL A 17 -5.318 3.937 -9.752 1.00 0.00 C ATOM 272 O VAL A 17 -5.694 4.854 -10.486 1.00 0.00 O ATOM 273 CB VAL A 17 -6.724 3.536 -7.660 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.692 2.018 -7.488 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.144 4.103 -6.288 1.00 0.00 C ATOM 0 H VAL A 17 -6.277 5.974 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.557 3.581 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.443 3.840 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.649 1.676 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.509 1.546 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.895 1.747 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.082 3.644 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.371 3.884 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.276 5.182 -6.365 1.00 0.00 H new ATOM 285 N ASN A 18 -4.953 2.743 -10.247 1.00 0.00 N ATOM 286 CA ASN A 18 -5.100 2.373 -11.665 1.00 0.00 C ATOM 287 C ASN A 18 -6.515 2.614 -12.186 1.00 0.00 C ATOM 288 O ASN A 18 -6.697 2.884 -13.368 1.00 0.00 O ATOM 289 CB ASN A 18 -4.784 0.881 -11.839 1.00 0.00 C ATOM 290 CG ASN A 18 -5.136 0.334 -13.222 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.563 0.759 -14.220 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.032 -0.636 -13.316 1.00 0.00 N ATOM 0 H ASN A 18 -4.546 2.004 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.409 2.999 -12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.722 0.720 -11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.328 0.313 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.253 -1.039 -14.226 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.501 -0.980 -12.478 1.00 0.00 H new ATOM 299 N GLY A 19 -7.506 2.459 -11.307 1.00 0.00 N ATOM 300 CA GLY A 19 -8.900 2.617 -11.653 1.00 0.00 C ATOM 301 C GLY A 19 -9.302 4.085 -11.731 1.00 0.00 C ATOM 302 O GLY A 19 -9.909 4.486 -12.723 1.00 0.00 O ATOM 0 H GLY A 19 -7.351 2.218 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.093 2.136 -12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.518 2.110 -10.912 1.00 0.00 H new ATOM 306 N LYS A 20 -9.054 4.850 -10.659 1.00 0.00 N ATOM 307 CA LYS A 20 -9.552 6.207 -10.417 1.00 0.00 C ATOM 308 C LYS A 20 -8.829 6.837 -9.224 1.00 0.00 C ATOM 309 O LYS A 20 -8.208 6.105 -8.455 1.00 0.00 O ATOM 310 CB LYS A 20 -11.059 6.161 -10.108 1.00 0.00 C ATOM 311 CG LYS A 20 -11.892 6.209 -11.395 1.00 0.00 C ATOM 312 CD LYS A 20 -13.020 7.228 -11.327 1.00 0.00 C ATOM 313 CE LYS A 20 -14.070 6.820 -10.303 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.981 7.942 -10.037 1.00 0.00 N ATOM 0 H LYS A 20 -8.466 4.517 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.369 6.804 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.292 5.251 -9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.327 7.001 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.241 6.449 -12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.311 5.222 -11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.615 8.206 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.484 7.326 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.634 5.963 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.585 6.509 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.693 7.652 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.439 8.749 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.456 8.220 -10.919 1.00 0.00 H new ATOM 328 N PRO A 21 -8.931 8.159 -9.001 1.00 0.00 N ATOM 329 CA PRO A 21 -8.571 8.746 -7.717 1.00 0.00 C ATOM 330 C PRO A 21 -9.396 8.133 -6.577 1.00 0.00 C ATOM 331 O PRO A 21 -10.470 7.555 -6.806 1.00 0.00 O ATOM 332 CB PRO A 21 -8.833 10.246 -7.858 1.00 0.00 C ATOM 333 CG PRO A 21 -9.847 10.354 -8.996 1.00 0.00 C ATOM 334 CD PRO A 21 -9.515 9.158 -9.883 1.00 0.00 C ATOM 0 HA PRO A 21 -7.528 8.551 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.228 10.668 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.917 10.789 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.871 10.308 -8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.745 11.295 -9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.410 8.773 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.817 9.438 -10.672 1.00 0.00 H new ATOM 342 N VAL A 22 -8.924 8.298 -5.341 1.00 0.00 N ATOM 343 CA VAL A 22 -9.625 7.871 -4.137 1.00 0.00 C ATOM 344 C VAL A 22 -9.411 8.922 -3.047 1.00 0.00 C ATOM 345 O VAL A 22 -8.287 9.321 -2.742 1.00 0.00 O ATOM 346 CB VAL A 22 -9.202 6.440 -3.731 1.00 0.00 C ATOM 347 CG1 VAL A 22 -7.714 6.281 -3.389 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.050 5.912 -2.563 1.00 0.00 C ATOM 0 H VAL A 22 -8.026 8.741 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.698 7.805 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.381 5.845 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.512 5.245 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.111 6.553 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.461 6.932 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.725 4.904 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.927 6.566 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.100 5.891 -2.856 1.00 0.00 H new ATOM 358 N THR A 23 -10.507 9.384 -2.454 1.00 0.00 N ATOM 359 CA THR A 23 -10.494 10.251 -1.290 1.00 0.00 C ATOM 360 C THR A 23 -11.563 9.723 -0.339 1.00 0.00 C ATOM 361 O THR A 23 -12.685 9.442 -0.767 1.00 0.00 O ATOM 362 CB THR A 23 -10.739 11.718 -1.694 1.00 0.00 C ATOM 363 OG1 THR A 23 -11.486 11.841 -2.896 1.00 0.00 O ATOM 364 CG2 THR A 23 -9.442 12.505 -1.881 1.00 0.00 C ATOM 0 H THR A 23 -11.447 9.159 -2.779 1.00 0.00 H new ATOM 0 HA THR A 23 -9.522 10.242 -0.797 1.00 0.00 H new ATOM 0 HB THR A 23 -11.307 12.131 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.614 12.790 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.677 13.531 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.879 12.506 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.844 12.040 -2.664 1.00 0.00 H new ATOM 372 N SER A 24 -11.227 9.542 0.934 1.00 0.00 N ATOM 373 CA SER A 24 -12.128 9.074 1.973 1.00 0.00 C ATOM 374 C SER A 24 -12.057 10.088 3.111 1.00 0.00 C ATOM 375 O SER A 24 -11.575 9.826 4.215 1.00 0.00 O ATOM 376 CB SER A 24 -11.821 7.612 2.334 1.00 0.00 C ATOM 377 OG SER A 24 -12.880 6.777 1.901 1.00 0.00 O ATOM 0 H SER A 24 -10.285 9.725 1.280 1.00 0.00 H new ATOM 0 HA SER A 24 -13.169 9.031 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.887 7.301 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.686 7.515 3.411 1.00 0.00 H new ATOM 0 HG SER A 24 -12.758 5.877 2.269 1.00 0.00 H new ATOM 383 N ASP A 25 -12.569 11.277 2.794 1.00 0.00 N ATOM 384 CA ASP A 25 -12.799 12.431 3.655 1.00 0.00 C ATOM 385 C ASP A 25 -11.523 13.053 4.206 1.00 0.00 C ATOM 386 O ASP A 25 -11.137 14.142 3.776 1.00 0.00 O ATOM 387 CB ASP A 25 -13.823 12.113 4.753 1.00 0.00 C ATOM 388 CG ASP A 25 -14.620 13.371 5.052 1.00 0.00 C ATOM 389 OD1 ASP A 25 -14.039 14.362 5.543 1.00 0.00 O ATOM 390 OD2 ASP A 25 -15.811 13.372 4.677 1.00 0.00 O ATOM 0 H ASP A 25 -12.860 11.472 1.836 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.229 13.204 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.488 11.312 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.317 11.763 5.653 1.00 0.00 H new ATOM 395 N LYS A 26 -10.858 12.355 5.126 1.00 0.00 N ATOM 396 CA LYS A 26 -9.569 12.705 5.715 1.00 0.00 C ATOM 397 C LYS A 26 -8.728 11.465 6.028 1.00 0.00 C ATOM 398 O LYS A 26 -7.562 11.607 6.403 1.00 0.00 O ATOM 399 CB LYS A 26 -9.801 13.534 6.980 1.00 0.00 C ATOM 400 CG LYS A 26 -8.613 14.483 7.233 1.00 0.00 C ATOM 401 CD LYS A 26 -8.807 15.195 8.566 1.00 0.00 C ATOM 402 CE LYS A 26 -9.825 16.331 8.428 1.00 0.00 C ATOM 403 NZ LYS A 26 -10.474 16.657 9.713 1.00 0.00 N ATOM 0 H LYS A 26 -11.227 11.481 5.500 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.008 13.293 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.720 14.112 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.933 12.872 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.680 13.920 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.538 15.212 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.148 14.483 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.854 15.594 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.326 17.219 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.586 16.049 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.155 17.431 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.973 15.818 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.752 16.952 10.401 1.00 0.00 H new ATOM 417 N ASN A 27 -9.280 10.256 5.899 1.00 0.00 N ATOM 418 CA ASN A 27 -8.631 9.003 6.277 1.00 0.00 C ATOM 419 C ASN A 27 -8.613 8.083 5.060 1.00 0.00 C ATOM 420 O ASN A 27 -9.390 7.129 5.006 1.00 0.00 O ATOM 421 CB ASN A 27 -9.324 8.365 7.493 1.00 0.00 C ATOM 422 CG ASN A 27 -9.071 9.163 8.762 1.00 0.00 C ATOM 423 OD1 ASN A 27 -7.933 9.526 9.054 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.108 9.478 9.516 1.00 0.00 N ATOM 0 H ASN A 27 -10.216 10.120 5.518 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.603 9.189 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.397 8.302 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.962 7.345 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.974 10.034 10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.043 9.166 9.254 1.00 0.00 H new ATOM 431 N PRO A 28 -7.758 8.369 4.065 1.00 0.00 N ATOM 432 CA PRO A 28 -7.633 7.558 2.861 1.00 0.00 C ATOM 433 C PRO A 28 -6.993 6.188 3.132 1.00 0.00 C ATOM 434 O PRO A 28 -6.441 5.973 4.222 1.00 0.00 O ATOM 435 CB PRO A 28 -6.749 8.379 1.915 1.00 0.00 C ATOM 436 CG PRO A 28 -5.927 9.257 2.849 1.00 0.00 C ATOM 437 CD PRO A 28 -6.876 9.523 4.000 1.00 0.00 C ATOM 0 HA PRO A 28 -8.616 7.341 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.112 7.737 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.347 8.977 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.021 8.752 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.615 10.181 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.330 9.650 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.443 10.439 3.835 1.00 0.00 H new ATOM 445 N PRO A 29 -6.966 5.315 2.103 1.00 0.00 N ATOM 446 CA PRO A 29 -6.171 4.090 2.060 1.00 0.00 C ATOM 447 C PRO A 29 -4.661 4.375 2.045 1.00 0.00 C ATOM 448 O PRO A 29 -3.958 4.060 1.085 1.00 0.00 O ATOM 449 CB PRO A 29 -6.645 3.347 0.800 1.00 0.00 C ATOM 450 CG PRO A 29 -7.261 4.411 -0.092 1.00 0.00 C ATOM 451 CD PRO A 29 -7.809 5.412 0.910 1.00 0.00 C ATOM 0 HA PRO A 29 -6.317 3.485 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.813 2.850 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.373 2.575 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.521 4.863 -0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.047 4.002 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.786 6.422 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.848 5.189 1.151 1.00 0.00 H new ATOM 459 N GLU A 30 -4.125 4.954 3.115 1.00 0.00 N ATOM 460 CA GLU A 30 -2.696 5.185 3.268 1.00 0.00 C ATOM 461 C GLU A 30 -1.994 3.893 3.718 1.00 0.00 C ATOM 462 O GLU A 30 -2.656 2.925 4.112 1.00 0.00 O ATOM 463 CB GLU A 30 -2.469 6.368 4.216 1.00 0.00 C ATOM 464 CG GLU A 30 -2.543 5.968 5.684 1.00 0.00 C ATOM 465 CD GLU A 30 -2.971 7.124 6.570 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.401 8.236 6.489 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.769 6.861 7.495 1.00 0.00 O ATOM 0 H GLU A 30 -4.678 5.279 3.908 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.248 5.455 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.493 6.809 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.215 7.137 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.246 5.143 5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.569 5.604 6.010 1.00 0.00 H new ATOM 474 N ILE A 31 -0.662 3.869 3.704 1.00 0.00 N ATOM 475 CA ILE A 31 0.137 2.715 4.082 1.00 0.00 C ATOM 476 C ILE A 31 1.403 3.258 4.756 1.00 0.00 C ATOM 477 O ILE A 31 1.929 4.307 4.363 1.00 0.00 O ATOM 478 CB ILE A 31 0.369 1.831 2.821 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.623 0.361 3.200 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.495 2.325 1.889 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.688 -0.558 1.967 1.00 0.00 C ATOM 0 H ILE A 31 -0.100 4.672 3.422 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.347 2.054 4.800 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.560 1.915 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.559 0.288 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.169 0.018 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.586 1.650 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.259 3.328 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.437 2.347 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.869 -1.584 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.257 -0.508 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.498 -0.234 1.314 1.00 0.00 H new ATOM 493 N SER A 32 1.898 2.571 5.781 1.00 0.00 N ATOM 494 CA SER A 32 3.156 2.913 6.420 1.00 0.00 C ATOM 495 C SER A 32 3.903 1.630 6.747 1.00 0.00 C ATOM 496 O SER A 32 3.281 0.581 6.948 1.00 0.00 O ATOM 497 CB SER A 32 2.911 3.793 7.643 1.00 0.00 C ATOM 498 OG SER A 32 2.103 3.154 8.616 1.00 0.00 O ATOM 0 H SER A 32 1.434 1.760 6.190 1.00 0.00 H new ATOM 0 HA SER A 32 3.781 3.500 5.747 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.868 4.063 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.432 4.721 7.330 1.00 0.00 H new ATOM 0 HG SER A 32 1.975 3.754 9.380 1.00 0.00 H new ATOM 504 N PHE A 33 5.230 1.736 6.748 1.00 0.00 N ATOM 505 CA PHE A 33 6.195 0.652 6.817 1.00 0.00 C ATOM 506 C PHE A 33 7.133 1.020 7.975 1.00 0.00 C ATOM 507 O PHE A 33 7.523 2.186 8.076 1.00 0.00 O ATOM 508 CB PHE A 33 6.937 0.573 5.460 1.00 0.00 C ATOM 509 CG PHE A 33 6.250 -0.033 4.238 1.00 0.00 C ATOM 510 CD1 PHE A 33 4.889 -0.379 4.211 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.998 -0.186 3.057 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.261 -0.681 2.993 1.00 0.00 C ATOM 513 CE2 PHE A 33 6.372 -0.475 1.830 1.00 0.00 C ATOM 514 CZ PHE A 33 4.982 -0.668 1.794 1.00 0.00 C ATOM 0 H PHE A 33 5.686 2.647 6.697 1.00 0.00 H new ATOM 0 HA PHE A 33 5.749 -0.327 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.231 1.588 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.855 0.009 5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.324 -0.413 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.072 -0.080 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.209 -0.926 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.956 -0.548 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.474 -0.805 0.851 1.00 0.00 H new ATOM 524 N GLY A 34 7.433 0.082 8.879 1.00 0.00 N ATOM 525 CA GLY A 34 8.304 0.290 10.046 1.00 0.00 C ATOM 526 C GLY A 34 9.596 -0.496 9.927 1.00 0.00 C ATOM 527 O GLY A 34 9.918 -1.018 8.868 1.00 0.00 O ATOM 0 H GLY A 34 7.068 -0.869 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.531 1.351 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.777 -0.010 10.952 1.00 0.00 H new ATOM 531 N GLU A 35 10.332 -0.605 11.021 1.00 0.00 N ATOM 532 CA GLU A 35 11.720 -1.023 11.126 1.00 0.00 C ATOM 533 C GLU A 35 12.006 -2.515 10.837 1.00 0.00 C ATOM 534 O GLU A 35 12.869 -3.132 11.448 1.00 0.00 O ATOM 535 CB GLU A 35 12.212 -0.591 12.517 1.00 0.00 C ATOM 536 CG GLU A 35 13.699 -0.321 12.355 1.00 0.00 C ATOM 537 CD GLU A 35 14.413 0.267 13.579 1.00 0.00 C ATOM 538 OE1 GLU A 35 13.857 1.180 14.242 1.00 0.00 O ATOM 539 OE2 GLU A 35 15.564 -0.147 13.848 1.00 0.00 O ATOM 0 H GLU A 35 9.940 -0.384 11.936 1.00 0.00 H new ATOM 0 HA GLU A 35 12.277 -0.533 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.686 0.300 12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.033 -1.371 13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.191 -1.256 12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.835 0.362 11.517 1.00 0.00 H new ATOM 546 N LYS A 36 11.252 -3.135 9.941 1.00 0.00 N ATOM 547 CA LYS A 36 11.143 -4.551 9.704 1.00 0.00 C ATOM 548 C LYS A 36 10.651 -4.979 8.317 1.00 0.00 C ATOM 549 O LYS A 36 10.341 -6.161 8.144 1.00 0.00 O ATOM 550 CB LYS A 36 10.290 -5.141 10.848 1.00 0.00 C ATOM 551 CG LYS A 36 11.164 -5.831 11.884 1.00 0.00 C ATOM 552 CD LYS A 36 11.218 -7.326 11.576 1.00 0.00 C ATOM 553 CE LYS A 36 12.159 -7.990 12.566 1.00 0.00 C ATOM 554 NZ LYS A 36 13.560 -7.987 12.105 1.00 0.00 N ATOM 0 H LYS A 36 10.651 -2.605 9.310 1.00 0.00 H new ATOM 0 HA LYS A 36 12.154 -4.959 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.715 -4.347 11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.573 -5.853 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.168 -5.408 11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.762 -5.667 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.222 -7.764 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.565 -7.490 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.095 -7.475 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.838 -9.018 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.160 -8.451 12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.630 -8.501 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.879 -7.006 11.970 1.00 0.00 H new ATOM 568 N MET A 37 10.557 -4.080 7.331 1.00 0.00 N ATOM 569 CA MET A 37 9.755 -4.268 6.109 1.00 0.00 C ATOM 570 C MET A 37 8.277 -4.630 6.429 1.00 0.00 C ATOM 571 O MET A 37 7.587 -5.220 5.604 1.00 0.00 O ATOM 572 CB MET A 37 10.396 -5.284 5.139 1.00 0.00 C ATOM 573 CG MET A 37 11.629 -4.773 4.394 1.00 0.00 C ATOM 574 SD MET A 37 11.436 -3.269 3.385 1.00 0.00 S ATOM 575 CE MET A 37 9.804 -3.497 2.609 1.00 0.00 C ATOM 0 H MET A 37 11.044 -3.184 7.357 1.00 0.00 H new ATOM 0 HA MET A 37 9.744 -3.306 5.596 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.673 -6.176 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.647 -5.588 4.407 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.413 -4.588 5.128 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.984 -5.572 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.753 -2.913 1.690 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.656 -4.552 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.025 -3.163 3.295 1.00 0.00 H new ATOM 585 N MET A 38 7.777 -4.329 7.630 1.00 0.00 N ATOM 586 CA MET A 38 6.398 -4.570 8.043 1.00 0.00 C ATOM 587 C MET A 38 5.437 -3.641 7.307 1.00 0.00 C ATOM 588 O MET A 38 5.839 -2.627 6.746 1.00 0.00 O ATOM 589 CB MET A 38 6.281 -4.316 9.551 1.00 0.00 C ATOM 590 CG MET A 38 6.227 -5.597 10.380 1.00 0.00 C ATOM 591 SD MET A 38 4.853 -6.721 9.993 1.00 0.00 S ATOM 592 CE MET A 38 3.365 -5.722 10.259 1.00 0.00 C ATOM 0 H MET A 38 8.341 -3.898 8.362 1.00 0.00 H new ATOM 0 HA MET A 38 6.136 -5.601 7.804 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.131 -3.716 9.878 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.383 -3.729 9.744 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.164 -6.137 10.244 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.165 -5.325 11.434 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.793 -6.135 11.090 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.652 -4.696 10.490 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.753 -5.733 9.357 1.00 0.00 H new ATOM 602 N ILE A 39 4.141 -3.947 7.363 1.00 0.00 N ATOM 603 CA ILE A 39 3.127 -3.191 6.644 1.00 0.00 C ATOM 604 C ILE A 39 1.910 -2.970 7.546 1.00 0.00 C ATOM 605 O ILE A 39 1.445 -3.894 8.224 1.00 0.00 O ATOM 606 CB ILE A 39 2.761 -3.921 5.328 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.986 -4.238 4.431 1.00 0.00 C ATOM 608 CG2 ILE A 39 1.751 -3.041 4.580 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.653 -5.070 3.187 1.00 0.00 C ATOM 0 H ILE A 39 3.769 -4.725 7.908 1.00 0.00 H new ATOM 0 HA ILE A 39 3.515 -2.209 6.373 1.00 0.00 H new ATOM 0 HB ILE A 39 2.336 -4.893 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.444 -3.301 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.728 -4.772 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.469 -3.525 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.864 -2.900 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.201 -2.072 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.563 -5.248 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.224 -6.024 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.935 -4.530 2.570 1.00 0.00 H new ATOM 621 N SER A 40 1.355 -1.755 7.505 1.00 0.00 N ATOM 622 CA SER A 40 0.100 -1.383 8.145 1.00 0.00 C ATOM 623 C SER A 40 -0.652 -0.378 7.254 1.00 0.00 C ATOM 624 O SER A 40 -0.130 0.707 6.970 1.00 0.00 O ATOM 625 CB SER A 40 0.405 -0.836 9.549 1.00 0.00 C ATOM 626 OG SER A 40 1.483 0.088 9.536 1.00 0.00 O ATOM 0 H SER A 40 1.788 -0.978 7.005 1.00 0.00 H new ATOM 0 HA SER A 40 -0.555 -2.246 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.484 -0.350 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.645 -1.664 10.217 1.00 0.00 H new ATOM 0 HG SER A 40 1.412 0.662 8.745 1.00 0.00 H new ATOM 632 N GLY A 41 -1.855 -0.737 6.790 1.00 0.00 N ATOM 633 CA GLY A 41 -2.726 0.103 5.965 1.00 0.00 C ATOM 634 C GLY A 41 -4.188 -0.346 6.070 1.00 0.00 C ATOM 635 O GLY A 41 -4.516 -1.209 6.894 1.00 0.00 O ATOM 0 H GLY A 41 -2.261 -1.652 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.638 1.143 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.402 0.057 4.925 1.00 0.00 H new ATOM 639 N SER A 42 -5.085 0.246 5.278 1.00 0.00 N ATOM 640 CA SER A 42 -6.500 -0.093 5.248 1.00 0.00 C ATOM 641 C SER A 42 -7.119 0.328 3.913 1.00 0.00 C ATOM 642 O SER A 42 -7.538 1.467 3.759 1.00 0.00 O ATOM 643 CB SER A 42 -7.229 0.503 6.474 1.00 0.00 C ATOM 644 OG SER A 42 -7.144 1.911 6.619 1.00 0.00 O ATOM 0 H SER A 42 -4.837 0.991 4.627 1.00 0.00 H new ATOM 0 HA SER A 42 -6.617 -1.174 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.282 0.226 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.825 0.039 7.374 1.00 0.00 H new ATOM 0 HG SER A 42 -7.221 2.336 5.739 1.00 0.00 H new ATOM 650 N MET A 43 -7.183 -0.590 2.944 1.00 0.00 N ATOM 651 CA MET A 43 -7.821 -0.309 1.659 1.00 0.00 C ATOM 652 C MET A 43 -9.332 -0.111 1.831 1.00 0.00 C ATOM 653 O MET A 43 -9.922 0.789 1.242 1.00 0.00 O ATOM 654 CB MET A 43 -7.520 -1.434 0.670 1.00 0.00 C ATOM 655 CG MET A 43 -6.195 -1.283 -0.088 1.00 0.00 C ATOM 656 SD MET A 43 -5.940 0.245 -1.028 1.00 0.00 S ATOM 657 CE MET A 43 -4.978 -0.388 -2.427 1.00 0.00 C ATOM 0 H MET A 43 -6.801 -1.532 3.027 1.00 0.00 H new ATOM 0 HA MET A 43 -7.412 0.619 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.508 -2.381 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.333 -1.490 -0.054 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.383 -1.374 0.633 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.105 -2.122 -0.778 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.814 0.413 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.017 -0.757 -2.070 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.524 -1.201 -2.906 1.00 0.00 H new ATOM 667 N CYS A 44 -9.942 -0.943 2.672 1.00 0.00 N ATOM 668 CA CYS A 44 -11.211 -0.696 3.324 1.00 0.00 C ATOM 669 C CYS A 44 -11.134 -1.471 4.631 1.00 0.00 C ATOM 670 O CYS A 44 -11.059 -0.897 5.715 1.00 0.00 O ATOM 671 CB CYS A 44 -12.377 -1.201 2.450 1.00 0.00 C ATOM 672 SG CYS A 44 -14.042 -1.146 3.194 1.00 0.00 S ATOM 0 H CYS A 44 -9.541 -1.846 2.924 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.391 0.366 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.395 -0.612 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.166 -2.231 2.164 1.00 0.00 H new ATOM 677 N ASN A 45 -11.024 -2.796 4.516 1.00 0.00 N ATOM 678 CA ASN A 45 -11.161 -3.775 5.591 1.00 0.00 C ATOM 679 C ASN A 45 -9.889 -3.993 6.410 1.00 0.00 C ATOM 680 O ASN A 45 -9.695 -5.069 6.968 1.00 0.00 O ATOM 681 CB ASN A 45 -11.643 -5.077 4.947 1.00 0.00 C ATOM 682 CG ASN A 45 -13.129 -4.992 4.633 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.904 -4.554 5.476 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.557 -5.324 3.433 1.00 0.00 N ATOM 0 H ASN A 45 -10.826 -3.237 3.618 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.878 -3.396 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.081 -5.268 4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.454 -5.915 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.543 -5.218 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.902 -5.687 2.740 1.00 0.00 H new ATOM 691 N ARG A 46 -9.039 -2.974 6.542 1.00 0.00 N ATOM 692 CA ARG A 46 -7.695 -3.037 7.139 1.00 0.00 C ATOM 693 C ARG A 46 -6.810 -4.027 6.388 1.00 0.00 C ATOM 694 O ARG A 46 -7.286 -4.763 5.542 1.00 0.00 O ATOM 695 CB ARG A 46 -7.763 -3.372 8.642 1.00 0.00 C ATOM 696 CG ARG A 46 -7.823 -2.127 9.519 1.00 0.00 C ATOM 697 CD ARG A 46 -7.857 -2.537 10.992 1.00 0.00 C ATOM 698 NE ARG A 46 -7.551 -1.400 11.869 1.00 0.00 N ATOM 699 CZ ARG A 46 -7.482 -1.446 13.203 1.00 0.00 C ATOM 700 NH1 ARG A 46 -7.810 -2.549 13.861 1.00 0.00 N ATOM 701 NH2 ARG A 46 -7.078 -0.395 13.901 1.00 0.00 N ATOM 0 H ARG A 46 -9.276 -2.035 6.222 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.243 -2.050 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.641 -3.989 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.891 -3.964 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.957 -1.493 9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.708 -1.540 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.842 -2.935 11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.137 -3.337 11.166 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.376 -0.500 11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.119 -3.375 13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.753 -2.571 14.879 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.814 0.465 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.031 -0.446 14.919 1.00 0.00 H new ATOM 715 N PHE A 47 -5.507 -4.016 6.639 1.00 0.00 N ATOM 716 CA PHE A 47 -4.646 -5.175 6.456 1.00 0.00 C ATOM 717 C PHE A 47 -3.390 -4.981 7.294 1.00 0.00 C ATOM 718 O PHE A 47 -3.095 -3.877 7.774 1.00 0.00 O ATOM 719 CB PHE A 47 -4.265 -5.390 4.983 1.00 0.00 C ATOM 720 CG PHE A 47 -3.677 -4.161 4.314 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.534 -3.214 3.723 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.290 -3.936 4.309 1.00 0.00 C ATOM 723 CE1 PHE A 47 -4.004 -2.105 3.044 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.771 -2.809 3.651 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.617 -1.924 2.971 1.00 0.00 C ATOM 0 H PHE A 47 -5.013 -3.191 6.980 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.191 -6.063 6.776 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.545 -6.206 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.151 -5.703 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.604 -3.341 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.626 -4.626 4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.667 -1.391 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.707 -2.623 3.670 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.204 -1.109 2.395 1.00 0.00 H new ATOM 735 N SER A 48 -2.630 -6.058 7.444 1.00 0.00 N ATOM 736 CA SER A 48 -1.368 -6.067 8.162 1.00 0.00 C ATOM 737 C SER A 48 -0.588 -7.318 7.750 1.00 0.00 C ATOM 738 O SER A 48 -1.203 -8.388 7.651 1.00 0.00 O ATOM 739 CB SER A 48 -1.654 -6.035 9.675 1.00 0.00 C ATOM 740 OG SER A 48 -2.904 -6.597 10.071 1.00 0.00 O ATOM 0 H SER A 48 -2.882 -6.969 7.060 1.00 0.00 H new ATOM 0 HA SER A 48 -0.764 -5.192 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.855 -6.568 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.616 -5.000 10.013 1.00 0.00 H new ATOM 0 HG SER A 48 -2.997 -6.534 11.045 1.00 0.00 H new ATOM 746 N GLY A 49 0.724 -7.225 7.501 1.00 0.00 N ATOM 747 CA GLY A 49 1.553 -8.394 7.270 1.00 0.00 C ATOM 748 C GLY A 49 3.025 -7.998 7.239 1.00 0.00 C ATOM 749 O GLY A 49 3.365 -6.833 7.032 1.00 0.00 O ATOM 0 H GLY A 49 1.229 -6.340 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.383 -9.130 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.276 -8.865 6.327 1.00 0.00 H new ATOM 753 N GLU A 50 3.904 -8.985 7.397 1.00 0.00 N ATOM 754 CA GLU A 50 5.338 -8.846 7.197 1.00 0.00 C ATOM 755 C GLU A 50 5.611 -8.769 5.698 1.00 0.00 C ATOM 756 O GLU A 50 5.552 -9.795 5.010 1.00 0.00 O ATOM 757 CB GLU A 50 6.071 -10.025 7.860 1.00 0.00 C ATOM 758 CG GLU A 50 6.165 -9.787 9.371 1.00 0.00 C ATOM 759 CD GLU A 50 6.873 -10.902 10.140 1.00 0.00 C ATOM 760 OE1 GLU A 50 6.327 -12.030 10.184 1.00 0.00 O ATOM 761 OE2 GLU A 50 7.907 -10.590 10.773 1.00 0.00 O ATOM 0 H GLU A 50 3.628 -9.927 7.675 1.00 0.00 H new ATOM 0 HA GLU A 50 5.710 -7.933 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.539 -10.955 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.069 -10.131 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.691 -8.849 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.158 -9.668 9.772 1.00 0.00 H new ATOM 768 N GLY A 51 5.840 -7.557 5.194 1.00 0.00 N ATOM 769 CA GLY A 51 6.437 -7.328 3.876 1.00 0.00 C ATOM 770 C GLY A 51 7.913 -7.747 3.817 1.00 0.00 C ATOM 771 O GLY A 51 8.488 -8.212 4.806 1.00 0.00 O ATOM 0 H GLY A 51 5.614 -6.697 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.875 -7.883 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.352 -6.272 3.621 1.00 0.00 H new ATOM 775 N LYS A 52 8.543 -7.562 2.650 1.00 0.00 N ATOM 776 CA LYS A 52 9.960 -7.812 2.379 1.00 0.00 C ATOM 777 C LYS A 52 10.397 -6.947 1.189 1.00 0.00 C ATOM 778 O LYS A 52 9.543 -6.472 0.446 1.00 0.00 O ATOM 779 CB LYS A 52 10.120 -9.316 2.113 1.00 0.00 C ATOM 780 CG LYS A 52 11.535 -9.748 1.699 1.00 0.00 C ATOM 781 CD LYS A 52 11.753 -11.222 2.043 1.00 0.00 C ATOM 782 CE LYS A 52 12.251 -11.326 3.488 1.00 0.00 C ATOM 783 NZ LYS A 52 12.181 -12.705 3.997 1.00 0.00 N ATOM 0 H LYS A 52 8.050 -7.215 1.827 1.00 0.00 H new ATOM 0 HA LYS A 52 10.598 -7.542 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.837 -9.862 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.422 -9.609 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.674 -9.591 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.276 -9.133 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.823 -11.778 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.479 -11.665 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.280 -10.971 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.654 -10.674 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.527 -12.731 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.195 -13.036 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.771 -13.324 3.405 1.00 0.00 H new ATOM 797 N LEU A 53 11.703 -6.726 1.011 1.00 0.00 N ATOM 798 CA LEU A 53 12.316 -6.034 -0.123 1.00 0.00 C ATOM 799 C LEU A 53 13.658 -6.713 -0.339 1.00 0.00 C ATOM 800 O LEU A 53 14.423 -6.854 0.615 1.00 0.00 O ATOM 801 CB LEU A 53 12.515 -4.538 0.221 1.00 0.00 C ATOM 802 CG LEU A 53 12.998 -3.556 -0.874 1.00 0.00 C ATOM 803 CD1 LEU A 53 14.313 -3.910 -1.575 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.894 -3.356 -1.920 1.00 0.00 C ATOM 0 H LEU A 53 12.395 -7.042 1.690 1.00 0.00 H new ATOM 0 HA LEU A 53 11.696 -6.083 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.564 -4.162 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.229 -4.485 1.043 1.00 0.00 H new ATOM 0 HG LEU A 53 13.215 -2.635 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.545 -3.148 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.116 -3.956 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.215 -4.878 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.241 -2.664 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.650 -4.314 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.006 -2.948 -1.438 1.00 0.00 H new ATOM 816 N SER A 54 13.955 -7.116 -1.573 1.00 0.00 N ATOM 817 CA SER A 54 15.321 -7.436 -1.974 1.00 0.00 C ATOM 818 C SER A 54 15.529 -7.203 -3.478 1.00 0.00 C ATOM 819 O SER A 54 16.604 -6.762 -3.890 1.00 0.00 O ATOM 820 CB SER A 54 15.621 -8.885 -1.570 1.00 0.00 C ATOM 821 OG SER A 54 17.012 -9.070 -1.399 1.00 0.00 O ATOM 0 H SER A 54 13.264 -7.229 -2.314 1.00 0.00 H new ATOM 0 HA SER A 54 16.020 -6.773 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.099 -9.127 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.248 -9.567 -2.334 1.00 0.00 H new ATOM 0 HG SER A 54 17.189 -9.998 -1.140 1.00 0.00 H new ATOM 827 N ASN A 55 14.485 -7.447 -4.273 1.00 0.00 N ATOM 828 CA ASN A 55 14.477 -7.608 -5.729 1.00 0.00 C ATOM 829 C ASN A 55 13.381 -6.751 -6.376 1.00 0.00 C ATOM 830 O ASN A 55 12.768 -7.154 -7.367 1.00 0.00 O ATOM 831 CB ASN A 55 14.257 -9.099 -6.061 1.00 0.00 C ATOM 832 CG ASN A 55 12.897 -9.617 -5.582 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.520 -9.389 -4.431 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.143 -10.322 -6.405 1.00 0.00 N ATOM 0 H ASN A 55 13.547 -7.545 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 55 15.434 -7.274 -6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.337 -9.243 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.049 -9.690 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.242 -10.682 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.461 -10.507 -7.356 1.00 0.00 H new ATOM 841 N GLY A 56 13.060 -5.599 -5.773 1.00 0.00 N ATOM 842 CA GLY A 56 11.984 -4.746 -6.267 1.00 0.00 C ATOM 843 C GLY A 56 10.636 -5.473 -6.255 1.00 0.00 C ATOM 844 O GLY A 56 9.808 -5.240 -7.136 1.00 0.00 O ATOM 0 H GLY A 56 13.533 -5.241 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.919 -3.848 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.214 -4.421 -7.282 1.00 0.00 H new ATOM 848 N GLU A 57 10.415 -6.391 -5.310 1.00 0.00 N ATOM 849 CA GLU A 57 9.163 -7.118 -5.151 1.00 0.00 C ATOM 850 C GLU A 57 8.803 -7.102 -3.662 1.00 0.00 C ATOM 851 O GLU A 57 9.692 -7.228 -2.811 1.00 0.00 O ATOM 852 CB GLU A 57 9.326 -8.536 -5.710 1.00 0.00 C ATOM 853 CG GLU A 57 7.993 -9.263 -5.918 1.00 0.00 C ATOM 854 CD GLU A 57 8.248 -10.660 -6.485 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.753 -11.516 -5.726 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.003 -10.887 -7.693 1.00 0.00 O ATOM 0 H GLU A 57 11.121 -6.652 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 57 8.348 -6.655 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.856 -8.485 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.947 -9.118 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.457 -9.337 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.360 -8.694 -6.599 1.00 0.00 H new ATOM 863 N LEU A 58 7.518 -6.918 -3.350 1.00 0.00 N ATOM 864 CA LEU A 58 6.932 -6.787 -2.025 1.00 0.00 C ATOM 865 C LEU A 58 5.898 -7.903 -1.828 1.00 0.00 C ATOM 866 O LEU A 58 4.745 -7.778 -2.246 1.00 0.00 O ATOM 867 CB LEU A 58 6.303 -5.387 -1.881 1.00 0.00 C ATOM 868 CG LEU A 58 5.671 -5.115 -0.501 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.726 -5.110 0.608 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.958 -3.761 -0.503 1.00 0.00 C ATOM 0 H LEU A 58 6.808 -6.852 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 58 7.694 -6.889 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.069 -4.636 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.539 -5.264 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 58 4.958 -5.916 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.245 -4.915 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.223 -6.079 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.462 -4.332 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.516 -3.581 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.676 -2.972 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.173 -3.764 -1.260 1.00 0.00 H new ATOM 882 N THR A 59 6.314 -8.997 -1.197 1.00 0.00 N ATOM 883 CA THR A 59 5.461 -10.119 -0.816 1.00 0.00 C ATOM 884 C THR A 59 5.052 -10.012 0.659 1.00 0.00 C ATOM 885 O THR A 59 5.900 -9.728 1.514 1.00 0.00 O ATOM 886 CB THR A 59 6.188 -11.453 -1.085 1.00 0.00 C ATOM 887 OG1 THR A 59 7.535 -11.462 -0.618 1.00 0.00 O ATOM 888 CG2 THR A 59 6.164 -11.802 -2.574 1.00 0.00 C ATOM 0 H THR A 59 7.288 -9.132 -0.927 1.00 0.00 H new ATOM 0 HA THR A 59 4.554 -10.089 -1.420 1.00 0.00 H new ATOM 0 HB THR A 59 5.640 -12.207 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.943 -12.331 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.683 -12.747 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.131 -11.894 -2.909 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.660 -11.014 -3.140 1.00 0.00 H new ATOM 896 N ALA A 60 3.782 -10.289 0.982 1.00 0.00 N ATOM 897 CA ALA A 60 3.266 -10.401 2.344 1.00 0.00 C ATOM 898 C ALA A 60 2.607 -11.767 2.585 1.00 0.00 C ATOM 899 O ALA A 60 1.385 -11.919 2.520 1.00 0.00 O ATOM 900 CB ALA A 60 2.329 -9.235 2.670 1.00 0.00 C ATOM 0 H ALA A 60 3.064 -10.446 0.274 1.00 0.00 H new ATOM 0 HA ALA A 60 4.108 -10.338 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.958 -9.341 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.872 -8.295 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.489 -9.238 1.976 1.00 0.00 H new ATOM 906 N LYS A 61 3.441 -12.743 2.948 1.00 0.00 N ATOM 907 CA LYS A 61 3.144 -14.140 3.227 1.00 0.00 C ATOM 908 C LYS A 61 2.044 -14.429 4.250 1.00 0.00 C ATOM 909 O LYS A 61 1.591 -15.571 4.339 1.00 0.00 O ATOM 910 CB LYS A 61 4.488 -14.800 3.569 1.00 0.00 C ATOM 911 CG LYS A 61 5.223 -14.329 4.842 1.00 0.00 C ATOM 912 CD LYS A 61 4.985 -15.198 6.087 1.00 0.00 C ATOM 913 CE LYS A 61 3.785 -14.746 6.924 1.00 0.00 C ATOM 914 NZ LYS A 61 3.807 -15.267 8.304 1.00 0.00 N ATOM 0 H LYS A 61 4.436 -12.551 3.064 1.00 0.00 H new ATOM 0 HA LYS A 61 2.686 -14.574 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.320 -15.873 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.158 -14.652 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.293 -14.300 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.914 -13.308 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.833 -16.232 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.880 -15.181 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.762 -13.657 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.867 -15.071 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.969 -14.926 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.800 -16.307 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.667 -14.936 8.786 1.00 0.00 H new ATOM 928 N GLY A 62 1.628 -13.453 5.057 1.00 0.00 N ATOM 929 CA GLY A 62 0.675 -13.626 6.148 1.00 0.00 C ATOM 930 C GLY A 62 -0.146 -12.364 6.359 1.00 0.00 C ATOM 931 O GLY A 62 -0.312 -11.899 7.489 1.00 0.00 O ATOM 0 H GLY A 62 1.956 -12.492 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.012 -14.463 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.208 -13.875 7.065 1.00 0.00 H new ATOM 935 N LEU A 63 -0.638 -11.787 5.259 1.00 0.00 N ATOM 936 CA LEU A 63 -1.633 -10.738 5.283 1.00 0.00 C ATOM 937 C LEU A 63 -2.855 -11.234 6.059 1.00 0.00 C ATOM 938 O LEU A 63 -3.275 -12.383 5.898 1.00 0.00 O ATOM 939 CB LEU A 63 -2.004 -10.400 3.832 1.00 0.00 C ATOM 940 CG LEU A 63 -2.792 -9.099 3.697 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.811 -7.920 3.664 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.612 -9.111 2.411 1.00 0.00 C ATOM 0 H LEU A 63 -0.345 -12.047 4.317 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.253 -9.842 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.092 -10.328 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.592 -11.218 3.415 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.468 -8.999 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.366 -6.987 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.231 -7.903 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.138 -8.031 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.169 -8.178 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.945 -9.214 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.309 -9.949 2.431 1.00 0.00 H new ATOM 954 N ALA A 64 -3.446 -10.366 6.871 1.00 0.00 N ATOM 955 CA ALA A 64 -4.763 -10.560 7.462 1.00 0.00 C ATOM 956 C ALA A 64 -5.606 -9.336 7.152 1.00 0.00 C ATOM 957 O ALA A 64 -5.045 -8.277 6.872 1.00 0.00 O ATOM 958 CB ALA A 64 -4.611 -10.732 8.969 1.00 0.00 C ATOM 0 H ALA A 64 -3.010 -9.485 7.143 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.245 -11.449 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.593 -10.878 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.985 -11.600 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.147 -9.841 9.392 1.00 0.00 H new ATOM 964 N MET A 65 -6.925 -9.445 7.271 1.00 0.00 N ATOM 965 CA MET A 65 -7.915 -8.423 6.936 1.00 0.00 C ATOM 966 C MET A 65 -9.139 -8.608 7.849 1.00 0.00 C ATOM 967 O MET A 65 -9.170 -9.530 8.674 1.00 0.00 O ATOM 968 CB MET A 65 -8.282 -8.583 5.448 1.00 0.00 C ATOM 969 CG MET A 65 -7.424 -7.761 4.486 1.00 0.00 C ATOM 970 SD MET A 65 -8.395 -6.837 3.266 1.00 0.00 S ATOM 971 CE MET A 65 -7.084 -5.828 2.549 1.00 0.00 C ATOM 0 H MET A 65 -7.359 -10.298 7.624 1.00 0.00 H new ATOM 0 HA MET A 65 -7.526 -7.417 7.092 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.199 -9.636 5.179 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.326 -8.301 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.816 -7.062 5.060 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.737 -8.427 3.964 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.361 -5.539 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.940 -4.934 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.157 -6.401 2.523 1.00 0.00 H new ATOM 981 N THR A 66 -10.129 -7.722 7.728 1.00 0.00 N ATOM 982 CA THR A 66 -11.359 -7.713 8.532 1.00 0.00 C ATOM 983 C THR A 66 -12.601 -7.912 7.647 1.00 0.00 C ATOM 984 O THR A 66 -12.484 -8.048 6.431 1.00 0.00 O ATOM 985 CB THR A 66 -11.455 -6.422 9.383 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.731 -5.298 8.587 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.192 -6.084 10.181 1.00 0.00 C ATOM 0 H THR A 66 -10.099 -6.964 7.046 1.00 0.00 H new ATOM 0 HA THR A 66 -11.320 -8.555 9.223 1.00 0.00 H new ATOM 0 HB THR A 66 -12.264 -6.642 10.080 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.252 -5.374 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.353 -5.165 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.968 -6.898 10.870 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.355 -5.947 9.496 1.00 0.00 H new ATOM 995 N ARG A 67 -13.802 -7.889 8.243 1.00 0.00 N ATOM 996 CA ARG A 67 -15.074 -7.915 7.517 1.00 0.00 C ATOM 997 C ARG A 67 -15.957 -6.742 7.943 1.00 0.00 C ATOM 998 O ARG A 67 -16.773 -6.847 8.865 1.00 0.00 O ATOM 999 CB ARG A 67 -15.718 -9.311 7.580 1.00 0.00 C ATOM 1000 CG ARG A 67 -16.011 -9.883 8.981 1.00 0.00 C ATOM 1001 CD ARG A 67 -17.516 -9.957 9.295 1.00 0.00 C ATOM 1002 NE ARG A 67 -17.932 -11.315 9.694 1.00 0.00 N ATOM 1003 CZ ARG A 67 -17.924 -11.835 10.926 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.436 -11.159 11.961 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -18.427 -13.042 11.131 1.00 0.00 N ATOM 0 H ARG A 67 -13.915 -7.851 9.256 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.907 -7.755 6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.655 -9.277 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.064 -10.010 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.579 -10.881 9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.519 -9.264 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.754 -9.255 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.085 -9.647 8.418 1.00 0.00 H new ATOM 0 HE ARG A 67 -18.263 -11.925 8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.057 -10.222 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.441 -11.577 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.818 -13.571 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.423 -13.443 12.069 1.00 0.00 H new ATOM 1019 N MET A 68 -15.770 -5.608 7.276 1.00 0.00 N ATOM 1020 CA MET A 68 -16.529 -4.367 7.378 1.00 0.00 C ATOM 1021 C MET A 68 -16.877 -3.889 5.959 1.00 0.00 C ATOM 1022 O MET A 68 -16.831 -4.669 5.009 1.00 0.00 O ATOM 1023 CB MET A 68 -15.722 -3.316 8.159 1.00 0.00 C ATOM 1024 CG MET A 68 -15.553 -3.671 9.638 1.00 0.00 C ATOM 1025 SD MET A 68 -15.375 -2.217 10.711 1.00 0.00 S ATOM 1026 CE MET A 68 -13.879 -1.487 10.008 1.00 0.00 C ATOM 0 H MET A 68 -15.018 -5.527 6.591 1.00 0.00 H new ATOM 0 HA MET A 68 -17.456 -4.529 7.928 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.738 -3.208 7.702 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.219 -2.350 8.077 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.415 -4.252 9.966 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.676 -4.308 9.753 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.566 -0.640 10.618 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.085 -2.233 9.988 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.083 -1.147 8.993 1.00 0.00 H new ATOM 1036 N MET A 69 -17.320 -2.638 5.808 1.00 0.00 N ATOM 1037 CA MET A 69 -17.589 -1.992 4.532 1.00 0.00 C ATOM 1038 C MET A 69 -17.241 -0.496 4.626 1.00 0.00 C ATOM 1039 O MET A 69 -16.955 0.015 5.717 1.00 0.00 O ATOM 1040 CB MET A 69 -19.051 -2.260 4.139 1.00 0.00 C ATOM 1041 CG MET A 69 -20.102 -1.454 4.921 1.00 0.00 C ATOM 1042 SD MET A 69 -21.250 -2.379 5.987 1.00 0.00 S ATOM 1043 CE MET A 69 -20.138 -3.426 6.961 1.00 0.00 C ATOM 0 H MET A 69 -17.506 -2.029 6.605 1.00 0.00 H new ATOM 0 HA MET A 69 -16.962 -2.403 3.740 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.169 -2.045 3.077 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.257 -3.322 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 69 -19.576 -0.730 5.543 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.694 -0.887 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.708 -3.944 7.732 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.662 -4.158 6.308 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.373 -2.807 7.430 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.308 0.234 3.510 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.855 1.624 3.436 1.00 0.00 C ATOM 1055 C CYS A 70 -17.867 2.579 2.806 1.00 0.00 C ATOM 1056 O CYS A 70 -17.529 3.731 2.519 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.463 1.685 2.795 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.102 1.071 3.783 1.00 0.00 S ATOM 0 H CYS A 70 -17.679 -0.124 2.630 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.771 1.997 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.491 1.119 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.253 2.722 2.532 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.118 2.140 2.664 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.218 2.920 2.117 1.00 0.00 C ATOM 1065 C ALA A 71 -19.981 3.370 0.670 1.00 0.00 C ATOM 1066 O ALA A 71 -20.752 4.179 0.148 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.584 4.066 3.072 1.00 0.00 C ATOM 0 H ALA A 71 -19.398 1.198 2.938 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.089 2.268 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.408 4.642 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -20.884 3.655 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.720 4.716 3.208 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.940 2.833 0.031 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.683 2.945 -1.399 1.00 0.00 C ATOM 1075 C ASN A 72 -18.325 1.531 -1.913 1.00 0.00 C ATOM 1076 O ASN A 72 -18.042 0.639 -1.100 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.632 4.062 -1.654 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.230 3.646 -2.041 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -15.807 2.519 -1.866 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.458 4.563 -2.592 1.00 0.00 N ATOM 0 H ASN A 72 -18.228 2.288 0.517 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.550 3.269 -1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.017 4.709 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.563 4.667 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.506 4.327 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.813 5.508 -2.738 1.00 0.00 H new ATOM 1087 N PRO A 73 -18.340 1.292 -3.236 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.922 0.028 -3.836 1.00 0.00 C ATOM 1089 C PRO A 73 -16.403 -0.052 -3.999 1.00 0.00 C ATOM 1090 O PRO A 73 -15.812 -1.072 -3.674 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.604 -0.012 -5.205 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.780 1.457 -5.567 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.905 2.178 -4.234 1.00 0.00 C ATOM 0 HA PRO A 73 -18.201 -0.815 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.993 -0.535 -5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.562 -0.530 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.929 1.828 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.667 1.608 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.373 3.129 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.948 2.401 -4.009 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.779 1.017 -4.511 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.375 1.093 -4.910 1.00 0.00 C ATOM 1103 C GLN A 74 -13.472 0.524 -3.814 1.00 0.00 C ATOM 1104 O GLN A 74 -12.686 -0.378 -4.070 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.056 2.563 -5.255 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.586 2.871 -5.589 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.329 4.353 -5.885 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.122 5.219 -5.523 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.223 4.687 -6.530 1.00 0.00 N ATOM 0 H GLN A 74 -16.270 1.898 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.186 0.483 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.671 2.858 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.356 3.187 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.958 2.560 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.285 2.278 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.568 3.964 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.025 5.668 -6.729 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.600 1.023 -2.587 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.814 0.634 -1.423 1.00 0.00 C ATOM 1120 C LEU A 75 -12.996 -0.859 -1.114 1.00 0.00 C ATOM 1121 O LEU A 75 -12.041 -1.531 -0.730 1.00 0.00 O ATOM 1122 CB LEU A 75 -13.235 1.502 -0.221 1.00 0.00 C ATOM 1123 CG LEU A 75 -13.043 3.021 -0.411 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.767 3.765 0.700 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.566 3.425 -0.424 1.00 0.00 C ATOM 0 H LEU A 75 -14.288 1.744 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.756 0.796 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.285 1.309 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.665 1.186 0.653 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.461 3.287 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.632 4.838 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.830 3.526 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.359 3.465 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.485 4.503 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.103 3.143 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.057 2.917 -1.243 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.212 -1.382 -1.299 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.590 -2.788 -1.106 1.00 0.00 C ATOM 1139 C ASN A 76 -14.036 -3.690 -2.221 1.00 0.00 C ATOM 1140 O ASN A 76 -14.213 -4.903 -2.169 1.00 0.00 O ATOM 1141 CB ASN A 76 -16.128 -2.893 -1.050 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.644 -3.939 -0.064 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.648 -5.140 -0.310 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.190 -3.497 1.058 1.00 0.00 N ATOM 0 H ASN A 76 -14.999 -0.809 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.156 -3.134 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.539 -1.920 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.502 -3.131 -2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.612 -4.155 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.189 -2.499 1.267 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.392 -3.117 -3.241 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.641 -3.831 -4.274 1.00 0.00 C ATOM 1153 C GLU A 77 -11.144 -3.507 -4.169 1.00 0.00 C ATOM 1154 O GLU A 77 -10.312 -4.322 -4.563 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.205 -3.483 -5.669 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.701 -4.714 -6.445 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.574 -5.606 -6.980 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -11.967 -5.254 -8.019 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.335 -6.710 -6.437 1.00 0.00 O ATOM 0 H GLU A 77 -13.380 -2.106 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.753 -4.905 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.028 -2.777 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.432 -2.981 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.343 -5.307 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.316 -4.381 -7.281 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.762 -2.358 -3.596 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.376 -2.029 -3.258 1.00 0.00 C ATOM 1168 C LEU A 78 -8.858 -2.995 -2.202 1.00 0.00 C ATOM 1169 O LEU A 78 -7.690 -3.385 -2.250 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.226 -0.576 -2.768 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.739 0.423 -3.828 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.736 0.568 -4.971 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.546 1.811 -3.201 1.00 0.00 C ATOM 0 H LEU A 78 -11.422 -1.619 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.783 -2.126 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.189 -0.236 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.529 -0.562 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.797 0.035 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.353 1.284 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.880 -0.399 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.689 0.923 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.201 2.510 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.494 2.160 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.806 1.750 -2.403 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.720 -3.391 -1.265 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.419 -4.407 -0.262 1.00 0.00 C ATOM 1187 C ASP A 79 -9.002 -5.727 -0.913 1.00 0.00 C ATOM 1188 O ASP A 79 -8.081 -6.388 -0.432 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.576 -4.522 0.751 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.392 -5.816 0.702 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -11.917 -6.181 -0.366 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.630 -6.367 1.794 1.00 0.00 O ATOM 0 H ASP A 79 -10.661 -3.007 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.549 -4.100 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.164 -4.415 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.254 -3.683 0.593 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.558 -6.037 -2.081 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.228 -7.243 -2.819 1.00 0.00 C ATOM 1199 C ASN A 80 -8.079 -6.976 -3.800 1.00 0.00 C ATOM 1200 O ASN A 80 -7.273 -7.872 -4.051 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.501 -7.773 -3.501 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.244 -8.844 -2.693 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.830 -9.309 -1.630 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.391 -9.282 -3.176 1.00 0.00 N ATOM 0 H ASN A 80 -10.255 -5.451 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.868 -8.019 -2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.177 -6.938 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.234 -8.187 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.919 -9.994 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.750 -8.909 -4.055 1.00 0.00 H new ATOM 1211 N THR A 81 -7.934 -5.738 -4.293 1.00 0.00 N ATOM 1212 CA THR A 81 -6.796 -5.282 -5.086 1.00 0.00 C ATOM 1213 C THR A 81 -5.506 -5.577 -4.310 1.00 0.00 C ATOM 1214 O THR A 81 -4.687 -6.383 -4.751 1.00 0.00 O ATOM 1215 CB THR A 81 -6.911 -3.787 -5.447 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.134 -3.434 -6.058 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.820 -3.327 -6.416 1.00 0.00 C ATOM 0 H THR A 81 -8.630 -5.008 -4.143 1.00 0.00 H new ATOM 0 HA THR A 81 -6.781 -5.822 -6.033 1.00 0.00 H new ATOM 0 HB THR A 81 -6.819 -3.299 -4.477 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.879 -3.746 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.951 -2.267 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.841 -3.486 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.890 -3.899 -7.341 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.308 -4.929 -3.155 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.028 -5.019 -2.457 1.00 0.00 C ATOM 1227 C ILE A 82 -3.755 -6.452 -1.994 1.00 0.00 C ATOM 1228 O ILE A 82 -2.601 -6.890 -1.980 1.00 0.00 O ATOM 1229 CB ILE A 82 -3.973 -3.999 -1.297 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.535 -3.739 -0.807 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.853 -4.396 -0.095 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.657 -3.056 -1.866 1.00 0.00 C ATOM 0 H ILE A 82 -6.007 -4.347 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.229 -4.760 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.374 -3.079 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.568 -3.116 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.078 -4.686 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.769 -3.638 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.892 -4.474 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.521 -5.357 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.656 -2.899 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.596 -3.689 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.094 -2.095 -2.136 1.00 0.00 H new ATOM 1244 N SER A 83 -4.815 -7.164 -1.605 1.00 0.00 N ATOM 1245 CA SER A 83 -4.717 -8.451 -0.960 1.00 0.00 C ATOM 1246 C SER A 83 -4.101 -9.500 -1.873 1.00 0.00 C ATOM 1247 O SER A 83 -3.270 -10.276 -1.395 1.00 0.00 O ATOM 1248 CB SER A 83 -6.102 -8.872 -0.479 1.00 0.00 C ATOM 1249 OG SER A 83 -6.405 -8.193 0.714 1.00 0.00 O ATOM 0 H SER A 83 -5.775 -6.847 -1.737 1.00 0.00 H new ATOM 0 HA SER A 83 -4.049 -8.365 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.849 -8.645 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.131 -9.949 -0.315 1.00 0.00 H new ATOM 0 HG SER A 83 -7.121 -7.545 0.549 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.458 -9.522 -3.157 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.843 -10.427 -4.109 1.00 0.00 C ATOM 1257 C GLU A 84 -2.471 -9.920 -4.535 1.00 0.00 C ATOM 1258 O GLU A 84 -1.552 -10.732 -4.642 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.761 -10.601 -5.325 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.712 -11.791 -5.143 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.081 -12.487 -6.456 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.631 -11.819 -7.353 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -5.861 -13.719 -6.557 1.00 0.00 O ATOM 0 H GLU A 84 -5.175 -8.917 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.703 -11.396 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.340 -9.691 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.157 -10.749 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.249 -12.517 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.624 -11.446 -4.656 1.00 0.00 H new ATOM 1270 N MET A 85 -2.303 -8.606 -4.738 1.00 0.00 N ATOM 1271 CA MET A 85 -1.063 -8.058 -5.288 1.00 0.00 C ATOM 1272 C MET A 85 0.097 -8.466 -4.383 1.00 0.00 C ATOM 1273 O MET A 85 1.099 -9.020 -4.823 1.00 0.00 O ATOM 1274 CB MET A 85 -1.136 -6.530 -5.435 1.00 0.00 C ATOM 1275 CG MET A 85 -2.061 -6.075 -6.571 1.00 0.00 C ATOM 1276 SD MET A 85 -2.325 -4.278 -6.683 1.00 0.00 S ATOM 1277 CE MET A 85 -0.721 -3.742 -7.327 1.00 0.00 C ATOM 0 H MET A 85 -3.013 -7.905 -4.528 1.00 0.00 H new ATOM 0 HA MET A 85 -0.908 -8.462 -6.288 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.484 -6.098 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.134 -6.140 -5.613 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.647 -6.425 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.029 -6.561 -6.447 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.746 -2.669 -7.519 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.057 -3.962 -6.596 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.506 -4.272 -8.255 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.078 -8.248 -3.083 1.00 0.00 N ATOM 1288 CA LEU A 86 0.935 -8.516 -2.077 1.00 0.00 C ATOM 1289 C LEU A 86 1.151 -10.000 -1.838 1.00 0.00 C ATOM 1290 O LEU A 86 2.206 -10.369 -1.328 1.00 0.00 O ATOM 1291 CB LEU A 86 0.469 -7.898 -0.761 1.00 0.00 C ATOM 1292 CG LEU A 86 0.690 -6.384 -0.627 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.985 -6.150 0.158 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.777 -5.539 -1.898 1.00 0.00 C ATOM 0 H LEU A 86 -0.944 -7.874 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 86 1.874 -8.093 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.594 -8.105 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.987 -8.397 0.058 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.223 -6.046 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.158 -5.079 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.898 -6.602 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.821 -6.602 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.934 -4.494 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.610 -5.886 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.151 -5.633 -2.462 1.00 0.00 H new ATOM 1306 N LYS A 87 0.160 -10.853 -2.099 1.00 0.00 N ATOM 1307 CA LYS A 87 0.320 -12.275 -1.847 1.00 0.00 C ATOM 1308 C LYS A 87 1.232 -12.849 -2.914 1.00 0.00 C ATOM 1309 O LYS A 87 2.215 -13.519 -2.596 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.059 -12.952 -1.823 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.143 -14.124 -0.845 1.00 0.00 C ATOM 1312 CD LYS A 87 -0.766 -13.721 0.594 1.00 0.00 C ATOM 1313 CE LYS A 87 -1.373 -14.628 1.664 1.00 0.00 C ATOM 1314 NZ LYS A 87 -2.844 -14.502 1.746 1.00 0.00 N ATOM 0 H LYS A 87 -0.747 -10.584 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 87 0.779 -12.455 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.814 -12.212 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.299 -13.307 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.156 -14.527 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.480 -14.921 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.319 -13.733 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.091 -12.696 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.112 -15.664 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.936 -14.384 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.180 -14.929 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.108 -13.496 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.280 -14.992 0.939 1.00 0.00 H new ATOM 1328 N GLU A 88 0.908 -12.535 -4.166 1.00 0.00 N ATOM 1329 CA GLU A 88 1.616 -13.031 -5.326 1.00 0.00 C ATOM 1330 C GLU A 88 3.013 -12.403 -5.404 1.00 0.00 C ATOM 1331 O GLU A 88 3.973 -13.117 -5.704 1.00 0.00 O ATOM 1332 CB GLU A 88 0.770 -12.779 -6.586 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.651 -13.387 -6.537 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.680 -14.917 -6.578 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -0.260 -15.575 -5.594 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.116 -15.476 -7.605 1.00 0.00 O ATOM 0 H GLU A 88 0.131 -11.917 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 88 1.767 -14.108 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.686 -11.704 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.296 -13.187 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.147 -13.050 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.228 -13.001 -7.377 1.00 0.00 H new ATOM 1343 N GLY A 89 3.147 -11.113 -5.073 1.00 0.00 N ATOM 1344 CA GLY A 89 4.403 -10.381 -5.106 1.00 0.00 C ATOM 1345 C GLY A 89 4.229 -9.136 -5.947 1.00 0.00 C ATOM 1346 O GLY A 89 4.389 -9.177 -7.166 1.00 0.00 O ATOM 0 H GLY A 89 2.359 -10.541 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.708 -10.112 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.193 -11.008 -5.521 1.00 0.00 H new ATOM 1350 N ALA A 90 3.876 -8.032 -5.289 1.00 0.00 N ATOM 1351 CA ALA A 90 3.715 -6.771 -5.991 1.00 0.00 C ATOM 1352 C ALA A 90 5.100 -6.323 -6.421 1.00 0.00 C ATOM 1353 O ALA A 90 6.027 -6.370 -5.613 1.00 0.00 O ATOM 1354 CB ALA A 90 3.068 -5.721 -5.091 1.00 0.00 C ATOM 0 H ALA A 90 3.699 -7.990 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 90 3.060 -6.896 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.959 -4.787 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.086 -6.070 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.696 -5.555 -4.216 1.00 0.00 H new ATOM 1360 N GLN A 91 5.248 -5.845 -7.649 1.00 0.00 N ATOM 1361 CA GLN A 91 6.453 -5.160 -8.047 1.00 0.00 C ATOM 1362 C GLN A 91 6.423 -3.854 -7.262 1.00 0.00 C ATOM 1363 O GLN A 91 5.355 -3.253 -7.128 1.00 0.00 O ATOM 1364 CB GLN A 91 6.444 -4.944 -9.563 1.00 0.00 C ATOM 1365 CG GLN A 91 6.544 -6.257 -10.366 1.00 0.00 C ATOM 1366 CD GLN A 91 5.198 -6.936 -10.646 1.00 0.00 C ATOM 1367 OE1 GLN A 91 4.430 -6.476 -11.482 1.00 0.00 O ATOM 1368 NE2 GLN A 91 4.872 -8.041 -9.988 1.00 0.00 N ATOM 0 H GLN A 91 4.543 -5.923 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 91 7.367 -5.715 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.528 -4.423 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.276 -4.295 -9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.037 -6.050 -11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.181 -6.953 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.509 -8.427 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.984 -8.505 -10.179 1.00 0.00 H new ATOM 1377 N VAL A 92 7.548 -3.444 -6.690 1.00 0.00 N ATOM 1378 CA VAL A 92 7.647 -2.252 -5.868 1.00 0.00 C ATOM 1379 C VAL A 92 8.789 -1.441 -6.449 1.00 0.00 C ATOM 1380 O VAL A 92 9.908 -1.941 -6.560 1.00 0.00 O ATOM 1381 CB VAL A 92 7.787 -2.608 -4.368 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.914 -3.588 -4.032 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.982 -1.348 -3.511 1.00 0.00 C ATOM 0 H VAL A 92 8.432 -3.943 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 92 6.740 -1.648 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 92 6.846 -3.107 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.928 -3.772 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.748 -4.528 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.869 -3.163 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.077 -1.632 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.885 -0.828 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.122 -0.689 -3.632 1.00 0.00 H new ATOM 1393 N ASP A 93 8.494 -0.203 -6.834 1.00 0.00 N ATOM 1394 CA ASP A 93 9.499 0.701 -7.390 1.00 0.00 C ATOM 1395 C ASP A 93 9.265 2.092 -6.819 1.00 0.00 C ATOM 1396 O ASP A 93 8.412 2.847 -7.289 1.00 0.00 O ATOM 1397 CB ASP A 93 9.513 0.659 -8.931 1.00 0.00 C ATOM 1398 CG ASP A 93 10.912 0.342 -9.467 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.898 0.944 -8.986 1.00 0.00 O ATOM 1400 OD2 ASP A 93 11.043 -0.535 -10.356 1.00 0.00 O ATOM 0 H ASP A 93 7.559 0.201 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 93 10.498 0.379 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.807 -0.094 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.179 1.618 -9.326 1.00 0.00 H new ATOM 1405 N LEU A 94 9.941 2.402 -5.713 1.00 0.00 N ATOM 1406 CA LEU A 94 9.930 3.727 -5.107 1.00 0.00 C ATOM 1407 C LEU A 94 11.070 4.511 -5.742 1.00 0.00 C ATOM 1408 O LEU A 94 12.237 4.222 -5.479 1.00 0.00 O ATOM 1409 CB LEU A 94 10.015 3.616 -3.576 1.00 0.00 C ATOM 1410 CG LEU A 94 9.932 4.901 -2.724 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.293 5.350 -2.193 1.00 0.00 C ATOM 1412 CD2 LEU A 94 9.170 6.058 -3.362 1.00 0.00 C ATOM 0 H LEU A 94 10.518 1.729 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 94 8.999 4.262 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.214 2.953 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.956 3.122 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 94 9.323 4.600 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.171 6.258 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.717 4.564 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.962 5.549 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.170 6.911 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.652 6.339 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.143 5.752 -3.560 1.00 0.00 H new ATOM 1424 N THR A 95 10.701 5.461 -6.601 1.00 0.00 N ATOM 1425 CA THR A 95 11.577 6.485 -7.175 1.00 0.00 C ATOM 1426 C THR A 95 12.013 7.445 -6.058 1.00 0.00 C ATOM 1427 O THR A 95 11.944 7.105 -4.875 1.00 0.00 O ATOM 1428 CB THR A 95 10.922 7.136 -8.421 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.833 7.945 -9.123 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.744 8.067 -8.146 1.00 0.00 C ATOM 0 H THR A 95 9.739 5.542 -6.931 1.00 0.00 H new ATOM 0 HA THR A 95 12.497 6.053 -7.569 1.00 0.00 H new ATOM 0 HB THR A 95 10.581 6.261 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.388 8.338 -9.903 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.366 8.464 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.952 7.513 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.071 8.890 -7.511 1.00 0.00 H new ATOM 1438 N ALA A 96 12.526 8.630 -6.388 1.00 0.00 N ATOM 1439 CA ALA A 96 12.950 9.624 -5.406 1.00 0.00 C ATOM 1440 C ALA A 96 11.927 9.796 -4.263 1.00 0.00 C ATOM 1441 O ALA A 96 12.330 9.893 -3.099 1.00 0.00 O ATOM 1442 CB ALA A 96 13.198 10.957 -6.119 1.00 0.00 C ATOM 0 H ALA A 96 12.660 8.928 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 96 13.872 9.273 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.515 11.705 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.977 10.828 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.279 11.288 -6.602 1.00 0.00 H new ATOM 1448 N ASN A 97 10.623 9.803 -4.583 1.00 0.00 N ATOM 1449 CA ASN A 97 9.530 10.157 -3.670 1.00 0.00 C ATOM 1450 C ASN A 97 8.153 9.582 -4.055 1.00 0.00 C ATOM 1451 O ASN A 97 7.169 9.867 -3.368 1.00 0.00 O ATOM 1452 CB ASN A 97 9.441 11.690 -3.580 1.00 0.00 C ATOM 1453 CG ASN A 97 9.533 12.356 -4.945 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.732 12.073 -5.831 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.552 13.169 -5.158 1.00 0.00 N ATOM 0 H ASN A 97 10.292 9.554 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 97 9.774 9.705 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.501 11.970 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.243 12.061 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.691 13.582 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.200 13.384 -4.400 1.00 0.00 H new ATOM 1462 N GLN A 98 8.033 8.759 -5.102 1.00 0.00 N ATOM 1463 CA GLN A 98 6.746 8.233 -5.561 1.00 0.00 C ATOM 1464 C GLN A 98 6.818 6.708 -5.656 1.00 0.00 C ATOM 1465 O GLN A 98 7.766 6.153 -6.209 1.00 0.00 O ATOM 1466 CB GLN A 98 6.374 8.889 -6.898 1.00 0.00 C ATOM 1467 CG GLN A 98 4.897 8.674 -7.253 1.00 0.00 C ATOM 1468 CD GLN A 98 4.626 9.016 -8.712 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.951 9.996 -9.033 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.162 8.234 -9.633 1.00 0.00 N ATOM 0 H GLN A 98 8.828 8.439 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 98 5.959 8.475 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.583 9.958 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.001 8.479 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.622 7.637 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.272 9.293 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.719 7.426 -9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.019 8.439 -10.622 1.00 0.00 H new ATOM 1479 N LEU A 99 5.848 6.013 -5.070 1.00 0.00 N ATOM 1480 CA LEU A 99 5.726 4.571 -5.150 1.00 0.00 C ATOM 1481 C LEU A 99 5.062 4.195 -6.468 1.00 0.00 C ATOM 1482 O LEU A 99 4.001 4.727 -6.807 1.00 0.00 O ATOM 1483 CB LEU A 99 4.856 4.058 -3.991 1.00 0.00 C ATOM 1484 CG LEU A 99 5.129 2.607 -3.562 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.612 2.325 -3.339 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.357 2.296 -2.276 1.00 0.00 C ATOM 0 H LEU A 99 5.112 6.451 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 99 6.718 4.123 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.005 4.709 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.808 4.144 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 99 4.794 1.966 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.743 1.286 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.160 2.507 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.993 2.981 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.552 1.267 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.679 2.973 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.289 2.426 -2.452 1.00 0.00 H new ATOM 1498 N THR A 100 5.638 3.214 -7.143 1.00 0.00 N ATOM 1499 CA THR A 100 5.101 2.561 -8.321 1.00 0.00 C ATOM 1500 C THR A 100 4.844 1.122 -7.898 1.00 0.00 C ATOM 1501 O THR A 100 5.745 0.487 -7.341 1.00 0.00 O ATOM 1502 CB THR A 100 6.137 2.610 -9.463 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.904 3.796 -9.392 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.490 2.508 -10.845 1.00 0.00 C ATOM 0 H THR A 100 6.543 2.832 -6.867 1.00 0.00 H new ATOM 0 HA THR A 100 4.194 3.043 -8.685 1.00 0.00 H new ATOM 0 HB THR A 100 6.784 1.743 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.584 3.704 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.263 2.547 -11.612 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.948 1.566 -10.924 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.797 3.338 -10.985 1.00 0.00 H new ATOM 1512 N LEU A 101 3.635 0.610 -8.129 1.00 0.00 N ATOM 1513 CA LEU A 101 3.379 -0.819 -8.102 1.00 0.00 C ATOM 1514 C LEU A 101 3.035 -1.311 -9.490 1.00 0.00 C ATOM 1515 O LEU A 101 2.620 -0.531 -10.348 1.00 0.00 O ATOM 1516 CB LEU A 101 2.253 -1.182 -7.117 1.00 0.00 C ATOM 1517 CG LEU A 101 2.824 -1.388 -5.713 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.241 -0.078 -5.068 1.00 0.00 C ATOM 1519 CD2 LEU A 101 1.868 -2.133 -4.797 1.00 0.00 C ATOM 0 H LEU A 101 2.813 1.176 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 101 4.289 -1.311 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.505 -0.389 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.748 -2.089 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 101 3.712 -2.006 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.640 -0.273 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.007 0.401 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.376 0.580 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.324 -2.251 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.941 -1.568 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.652 -3.115 -5.218 1.00 0.00 H new ATOM 1531 N ALA A 102 3.109 -2.624 -9.650 1.00 0.00 N ATOM 1532 CA ALA A 102 2.449 -3.412 -10.672 1.00 0.00 C ATOM 1533 C ALA A 102 2.237 -4.803 -10.068 1.00 0.00 C ATOM 1534 O ALA A 102 2.867 -5.144 -9.058 1.00 0.00 O ATOM 1535 CB ALA A 102 3.341 -3.472 -11.915 1.00 0.00 C ATOM 0 H ALA A 102 3.670 -3.203 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 102 1.494 -2.983 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.850 -4.064 -12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.515 -2.462 -12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.294 -3.933 -11.657 1.00 0.00 H new ATOM 1541 N THR A 103 1.326 -5.591 -10.624 1.00 0.00 N ATOM 1542 CA THR A 103 1.137 -7.015 -10.473 1.00 0.00 C ATOM 1543 C THR A 103 0.187 -7.444 -11.603 1.00 0.00 C ATOM 1544 O THR A 103 -0.336 -6.589 -12.327 1.00 0.00 O ATOM 1545 CB THR A 103 0.531 -7.354 -9.095 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.757 -6.387 -8.095 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.221 -8.595 -8.587 1.00 0.00 C ATOM 0 H THR A 103 0.630 -5.199 -11.259 1.00 0.00 H new ATOM 0 HA THR A 103 2.089 -7.542 -10.531 1.00 0.00 H new ATOM 0 HB THR A 103 -0.543 -7.442 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.694 -6.100 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.815 -8.863 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.057 -9.415 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.290 -8.405 -8.495 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.134 -8.739 -11.709 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.190 -9.227 -12.593 1.00 0.00 C ATOM 1557 C ALA A 104 -2.463 -8.386 -12.448 1.00 0.00 C ATOM 1558 O ALA A 104 -3.020 -7.962 -13.458 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.488 -10.703 -12.321 1.00 0.00 C ATOM 0 H ALA A 104 0.334 -9.476 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.836 -9.131 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.277 -11.044 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.588 -11.293 -12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.812 -10.824 -11.287 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.879 -8.075 -11.210 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.077 -7.279 -10.962 1.00 0.00 C ATOM 1567 C LYS A 105 -4.008 -5.913 -11.629 1.00 0.00 C ATOM 1568 O LYS A 105 -4.739 -5.654 -12.587 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.364 -7.134 -9.458 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.279 -8.243 -8.931 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.096 -7.734 -7.744 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.144 -8.757 -7.319 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.293 -8.859 -8.247 1.00 0.00 N ATOM 0 H LYS A 105 -2.394 -8.369 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.906 -7.824 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.423 -7.150 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.826 -6.165 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.947 -8.581 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.682 -9.104 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.432 -7.520 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.585 -6.797 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.670 -9.735 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.513 -8.495 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.987 -9.535 -7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.740 -7.926 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.961 -9.188 -9.176 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.213 -4.997 -11.084 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.161 -3.616 -11.536 1.00 0.00 C ATOM 1589 C GLN A 106 -1.890 -2.951 -11.016 1.00 0.00 C ATOM 1590 O GLN A 106 -1.068 -3.586 -10.364 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.431 -2.833 -11.172 1.00 0.00 C ATOM 1592 CG GLN A 106 -4.942 -3.031 -9.775 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.074 -2.037 -9.548 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -5.848 -1.045 -8.710 1.00 0.00 O flip ATOM 1595 NE2 GLN A 106 -7.132 -2.103 -10.166 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.582 -5.198 -10.308 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.125 -3.611 -12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.235 -1.771 -11.320 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.220 -3.112 -11.870 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.298 -4.052 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.144 -2.873 -9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.298 -2.874 -10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.846 -1.386 -10.033 1.00 0.00 H new ATOM 1604 N THR A 107 -1.762 -1.653 -11.255 1.00 0.00 N ATOM 1605 CA THR A 107 -0.767 -0.781 -10.665 1.00 0.00 C ATOM 1606 C THR A 107 -1.468 0.090 -9.607 1.00 0.00 C ATOM 1607 O THR A 107 -2.703 0.132 -9.529 1.00 0.00 O ATOM 1608 CB THR A 107 -0.046 -0.030 -11.803 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.779 0.994 -11.304 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.962 0.587 -12.854 1.00 0.00 C ATOM 0 H THR A 107 -2.382 -1.160 -11.898 1.00 0.00 H new ATOM 0 HA THR A 107 0.022 -1.308 -10.129 1.00 0.00 H new ATOM 0 HB THR A 107 0.537 -0.811 -12.291 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.391 0.624 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.360 1.092 -13.610 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.554 -0.197 -13.326 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.627 1.308 -12.379 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.685 0.754 -8.758 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.102 1.795 -7.823 1.00 0.00 C ATOM 1620 C LEU A 108 -0.006 2.867 -7.847 1.00 0.00 C ATOM 1621 O LEU A 108 1.162 2.510 -8.045 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.250 1.205 -6.403 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.300 0.080 -6.267 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.228 -0.601 -4.903 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.721 0.621 -6.431 1.00 0.00 C ATOM 0 H LEU A 108 0.316 0.568 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.067 2.217 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.282 0.818 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.512 2.011 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.072 -0.637 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.982 -1.386 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.239 -1.038 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.411 0.134 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.435 -0.196 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.916 1.370 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.826 1.075 -7.416 1.00 0.00 H new ATOM 1637 N THR A 109 -0.359 4.134 -7.597 1.00 0.00 N ATOM 1638 CA THR A 109 0.592 5.239 -7.508 1.00 0.00 C ATOM 1639 C THR A 109 0.417 5.900 -6.145 1.00 0.00 C ATOM 1640 O THR A 109 -0.592 6.575 -5.900 1.00 0.00 O ATOM 1641 CB THR A 109 0.410 6.271 -8.637 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.199 5.671 -9.898 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.657 7.156 -8.726 1.00 0.00 C ATOM 0 H THR A 109 -1.327 4.420 -7.450 1.00 0.00 H new ATOM 0 HA THR A 109 1.601 4.843 -7.622 1.00 0.00 H new ATOM 0 HB THR A 109 -0.476 6.856 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.088 6.368 -10.578 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.529 7.886 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.803 7.676 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.529 6.536 -8.938 1.00 0.00 H new ATOM 1651 N TYR A 110 1.389 5.709 -5.257 1.00 0.00 N ATOM 1652 CA TYR A 110 1.355 6.294 -3.927 1.00 0.00 C ATOM 1653 C TYR A 110 2.420 7.385 -3.817 1.00 0.00 C ATOM 1654 O TYR A 110 3.443 7.323 -4.499 1.00 0.00 O ATOM 1655 CB TYR A 110 1.585 5.211 -2.875 1.00 0.00 C ATOM 1656 CG TYR A 110 0.666 4.002 -2.864 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.984 2.808 -3.541 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.433 4.022 -2.001 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.277 1.624 -3.244 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -1.145 2.855 -1.692 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.765 1.638 -2.287 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.382 0.488 -1.907 1.00 0.00 O ATOM 0 H TYR A 110 2.219 5.145 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 110 0.376 6.741 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.607 4.849 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.523 5.683 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.767 2.799 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.741 4.959 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.532 0.704 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.977 2.890 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.071 0.691 -1.241 1.00 0.00 H new ATOM 1672 N LYS A 111 2.244 8.343 -2.903 1.00 0.00 N ATOM 1673 CA LYS A 111 3.108 9.524 -2.814 1.00 0.00 C ATOM 1674 C LYS A 111 3.604 9.654 -1.385 1.00 0.00 C ATOM 1675 O LYS A 111 2.777 9.551 -0.472 1.00 0.00 O ATOM 1676 CB LYS A 111 2.282 10.758 -3.194 1.00 0.00 C ATOM 1677 CG LYS A 111 2.992 11.847 -4.016 1.00 0.00 C ATOM 1678 CD LYS A 111 3.820 12.830 -3.180 1.00 0.00 C ATOM 1679 CE LYS A 111 2.967 13.748 -2.292 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.439 14.919 -3.026 1.00 0.00 N ATOM 0 H LYS A 111 1.500 8.322 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 111 3.961 9.433 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.411 10.422 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.912 11.214 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.646 11.367 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.244 12.407 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.510 12.268 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.425 13.443 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.135 13.177 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.567 14.092 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.871 15.505 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.231 15.481 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.844 14.595 -3.815 1.00 0.00 H new ATOM 1694 N LEU A 112 4.900 9.913 -1.216 1.00 0.00 N ATOM 1695 CA LEU A 112 5.615 10.132 0.038 1.00 0.00 C ATOM 1696 C LEU A 112 5.046 11.348 0.780 1.00 0.00 C ATOM 1697 O LEU A 112 5.584 12.444 0.661 1.00 0.00 O ATOM 1698 CB LEU A 112 7.096 10.336 -0.346 1.00 0.00 C ATOM 1699 CG LEU A 112 8.095 10.694 0.767 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.229 9.595 1.824 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.438 10.967 0.080 1.00 0.00 C ATOM 0 H LEU A 112 5.526 9.980 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 112 5.507 9.287 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.445 9.420 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.139 11.124 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 112 7.740 11.569 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.948 9.905 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.260 9.420 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.575 8.676 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.184 11.227 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.759 10.075 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.326 11.793 -0.622 1.00 0.00 H new ATOM 1713 N ALA A 113 3.954 11.202 1.525 1.00 0.00 N ATOM 1714 CA ALA A 113 3.428 12.253 2.387 1.00 0.00 C ATOM 1715 C ALA A 113 3.550 11.729 3.810 1.00 0.00 C ATOM 1716 O ALA A 113 2.609 11.166 4.365 1.00 0.00 O ATOM 1717 CB ALA A 113 2.005 12.660 1.987 1.00 0.00 C ATOM 0 H ALA A 113 3.405 10.343 1.547 1.00 0.00 H new ATOM 0 HA ALA A 113 3.993 13.180 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.650 13.445 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.007 13.029 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.345 11.796 2.061 1.00 0.00 H new ATOM 1723 N ASP A 114 4.741 11.880 4.388 1.00 0.00 N ATOM 1724 CA ASP A 114 5.069 11.373 5.717 1.00 0.00 C ATOM 1725 C ASP A 114 4.948 12.476 6.764 1.00 0.00 C ATOM 1726 O ASP A 114 5.725 12.547 7.711 1.00 0.00 O ATOM 1727 CB ASP A 114 6.399 10.593 5.716 1.00 0.00 C ATOM 1728 CG ASP A 114 7.663 11.454 5.721 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.911 12.155 4.716 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.468 11.327 6.676 1.00 0.00 O ATOM 0 H ASP A 114 5.516 12.366 3.938 1.00 0.00 H new ATOM 0 HA ASP A 114 4.331 10.628 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.420 9.942 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.422 9.948 4.837 1.00 0.00 H new ATOM 1735 N LEU A 115 3.925 13.325 6.599 1.00 0.00 N ATOM 1736 CA LEU A 115 3.571 14.468 7.450 1.00 0.00 C ATOM 1737 C LEU A 115 4.722 15.467 7.637 1.00 0.00 C ATOM 1738 O LEU A 115 4.695 16.313 8.527 1.00 0.00 O ATOM 1739 CB LEU A 115 2.965 14.019 8.795 1.00 0.00 C ATOM 1740 CG LEU A 115 1.825 12.984 8.715 1.00 0.00 C ATOM 1741 CD1 LEU A 115 1.320 12.689 10.131 1.00 0.00 C ATOM 1742 CD2 LEU A 115 0.649 13.457 7.850 1.00 0.00 C ATOM 0 H LEU A 115 3.280 13.225 5.815 1.00 0.00 H new ATOM 0 HA LEU A 115 2.795 15.012 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.764 13.603 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 115 2.591 14.901 9.314 1.00 0.00 H new ATOM 0 HG LEU A 115 2.231 12.088 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.513 11.958 10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.137 12.291 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.950 13.609 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.122 12.687 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.235 14.375 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.997 13.646 6.835 1.00 0.00 H new ATOM 1754 N MET A 116 5.718 15.401 6.760 1.00 0.00 N ATOM 1755 CA MET A 116 6.922 16.216 6.691 1.00 0.00 C ATOM 1756 C MET A 116 6.682 17.727 6.483 1.00 0.00 C ATOM 1757 O MET A 116 7.648 18.470 6.275 1.00 0.00 O ATOM 1758 CB MET A 116 7.802 15.626 5.575 1.00 0.00 C ATOM 1759 CG MET A 116 7.046 15.444 4.246 1.00 0.00 C ATOM 1760 SD MET A 116 8.035 15.687 2.752 1.00 0.00 S ATOM 1761 CE MET A 116 8.056 17.496 2.736 1.00 0.00 C ATOM 0 H MET A 116 5.699 14.710 6.010 1.00 0.00 H new ATOM 0 HA MET A 116 7.413 16.174 7.663 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.659 16.279 5.412 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.193 14.662 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.624 14.439 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.209 16.142 4.225 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.627 17.846 1.876 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.035 17.871 2.671 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.519 17.863 3.652 1.00 0.00 H new ATOM 1771 N ASN A 117 5.437 18.220 6.503 1.00 0.00 N ATOM 1772 CA ASN A 117 5.124 19.646 6.468 1.00 0.00 C ATOM 1773 C ASN A 117 4.181 20.025 7.605 1.00 0.00 C ATOM 1774 O ASN A 117 4.276 21.145 8.114 1.00 0.00 O ATOM 1775 CB ASN A 117 4.553 20.074 5.106 1.00 0.00 C ATOM 1776 CG ASN A 117 4.357 21.584 5.122 1.00 0.00 C ATOM 1777 OD1 ASN A 117 3.247 22.100 5.171 1.00 0.00 O ATOM 1778 ND2 ASN A 117 5.443 22.328 5.174 1.00 0.00 N ATOM 0 H ASN A 117 4.609 17.626 6.545 1.00 0.00 H new ATOM 0 HA ASN A 117 6.059 20.188 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.232 19.788 4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.605 19.570 4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.363 23.342 5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.363 21.890 5.133 1.00 0.00 H new TER 1785 ASN A 117