USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 787 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 110 ASN : amide:sc= 0.303 K(o=-0.15,f=-4.6!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.45 K(o=-0.15,f=-1.4) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= 0.427 X(o=-0.88,f=-0.41) USER MOD Set 2.2: A 39 GLN :FLIP amide:sc= -0.834 X(o=-0.42,f=-0.41) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0149) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 24 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= -0.03 (180deg=-0.0482) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.109 (180deg=-0.443) USER MOD Single : A 104 TYR OH : rot -112:sc= -0.702 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 149:sc= -8.97! (180deg=-11.3!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 166:sc= -0.0136 (180deg=-0.203) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.793 11.181 6.222 1.00 0.00 N ATOM 21 CA PHE A 2 -9.336 11.468 4.897 1.00 0.00 C ATOM 22 C PHE A 2 -10.608 10.665 4.640 1.00 0.00 C ATOM 23 O PHE A 2 -10.962 10.398 3.492 1.00 0.00 O ATOM 24 CB PHE A 2 -8.297 11.149 3.822 1.00 0.00 C ATOM 25 CG PHE A 2 -8.488 11.926 2.551 1.00 0.00 C ATOM 26 CD1 PHE A 2 -7.906 13.172 2.393 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.248 11.408 1.515 1.00 0.00 C ATOM 28 CE1 PHE A 2 -8.078 13.890 1.224 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.424 12.121 0.343 1.00 0.00 C ATOM 30 CZ PHE A 2 -8.838 13.363 0.199 1.00 0.00 C ATOM 0 HA PHE A 2 -9.584 12.529 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.302 11.355 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.336 10.083 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.311 13.588 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.708 10.437 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.619 14.861 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.019 11.707 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 2 -8.974 13.922 -0.715 1.00 0.00 H new ATOM 40 N ASP A 3 -11.290 10.279 5.716 1.00 0.00 N ATOM 41 CA ASP A 3 -12.522 9.502 5.606 1.00 0.00 C ATOM 42 C ASP A 3 -12.311 8.246 4.762 1.00 0.00 C ATOM 43 O ASP A 3 -13.262 7.688 4.216 1.00 0.00 O ATOM 44 CB ASP A 3 -13.640 10.355 5.005 1.00 0.00 C ATOM 45 CG ASP A 3 -14.953 10.185 5.744 1.00 0.00 C ATOM 46 OD1 ASP A 3 -15.034 10.605 6.917 1.00 0.00 O ATOM 47 OD2 ASP A 3 -15.901 9.630 5.149 1.00 0.00 O ATOM 0 H ASP A 3 -11.010 10.492 6.674 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.811 9.193 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.346 11.404 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.777 10.085 3.958 1.00 0.00 H new ATOM 52 N LEU A 4 -11.060 7.802 4.668 1.00 0.00 N ATOM 53 CA LEU A 4 -10.726 6.608 3.903 1.00 0.00 C ATOM 54 C LEU A 4 -10.084 5.567 4.811 1.00 0.00 C ATOM 55 O LEU A 4 -9.015 5.800 5.376 1.00 0.00 O ATOM 56 CB LEU A 4 -9.782 6.953 2.751 1.00 0.00 C ATOM 57 CG LEU A 4 -9.317 5.759 1.917 1.00 0.00 C ATOM 58 CD1 LEU A 4 -9.190 6.144 0.450 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.002 5.219 2.454 1.00 0.00 C ATOM 0 H LEU A 4 -10.261 8.253 5.114 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.645 6.197 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.281 7.664 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.905 7.456 3.158 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.066 4.971 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.858 5.280 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.158 6.479 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.463 6.950 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.684 4.369 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.243 6.000 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.135 4.900 3.488 1.00 0.00 H new ATOM 71 N THR A 5 -10.748 4.428 4.966 1.00 0.00 N ATOM 72 CA THR A 5 -10.239 3.367 5.827 1.00 0.00 C ATOM 73 C THR A 5 -10.197 2.024 5.107 1.00 0.00 C ATOM 74 O THR A 5 -11.196 1.309 5.050 1.00 0.00 O ATOM 75 CB THR A 5 -11.109 3.251 7.080 1.00 0.00 C ATOM 76 OG1 THR A 5 -11.170 4.490 7.763 1.00 0.00 O ATOM 77 CG2 THR A 5 -10.610 2.211 8.061 1.00 0.00 C ATOM 0 H THR A 5 -11.635 4.216 4.510 1.00 0.00 H new ATOM 0 HA THR A 5 -9.219 3.630 6.106 1.00 0.00 H new ATOM 0 HB THR A 5 -12.093 2.947 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.732 4.397 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.272 2.180 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.596 1.233 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.602 2.470 8.384 1.00 0.00 H new ATOM 85 N VAL A 6 -9.027 1.674 4.582 1.00 0.00 N ATOM 86 CA VAL A 6 -8.856 0.399 3.896 1.00 0.00 C ATOM 87 C VAL A 6 -8.060 -0.560 4.766 1.00 0.00 C ATOM 88 O VAL A 6 -7.167 -0.148 5.505 1.00 0.00 O ATOM 89 CB VAL A 6 -8.151 0.536 2.514 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.532 1.914 2.341 1.00 0.00 C ATOM 91 CG2 VAL A 6 -7.098 -0.559 2.308 1.00 0.00 C ATOM 0 H VAL A 6 -8.188 2.252 4.618 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.859 0.012 3.714 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.918 0.412 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.048 1.976 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.311 2.674 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.793 2.082 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.627 -0.432 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.341 -0.488 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.576 -1.537 2.355 1.00 0.00 H new ATOM 101 N GLY A 7 -8.376 -1.839 4.655 1.00 0.00 N ATOM 102 CA GLY A 7 -7.664 -2.837 5.418 1.00 0.00 C ATOM 103 C GLY A 7 -7.269 -4.013 4.558 1.00 0.00 C ATOM 104 O GLY A 7 -8.124 -4.769 4.095 1.00 0.00 O ATOM 0 H GLY A 7 -9.112 -2.203 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.772 -2.392 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.289 -3.181 6.242 1.00 0.00 H new ATOM 108 N ILE A 8 -5.970 -4.177 4.348 1.00 0.00 N ATOM 109 CA ILE A 8 -5.471 -5.277 3.544 1.00 0.00 C ATOM 110 C ILE A 8 -5.435 -6.544 4.398 1.00 0.00 C ATOM 111 O ILE A 8 -4.884 -6.531 5.497 1.00 0.00 O ATOM 112 CB ILE A 8 -4.060 -4.973 2.993 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.113 -3.768 2.048 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.481 -6.188 2.279 1.00 0.00 C ATOM 115 CD1 ILE A 8 -2.857 -2.924 2.066 1.00 0.00 C ATOM 0 H ILE A 8 -5.247 -3.563 4.723 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.138 -5.419 2.693 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.406 -4.734 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.288 -4.122 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.964 -3.143 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.487 -5.948 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.412 -7.022 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.129 -6.464 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.969 -2.090 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.692 -2.539 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.005 -3.534 1.766 1.00 0.00 H new ATOM 127 N THR A 9 -6.044 -7.630 3.921 1.00 0.00 N ATOM 128 CA THR A 9 -6.072 -8.860 4.711 1.00 0.00 C ATOM 129 C THR A 9 -5.813 -10.125 3.891 1.00 0.00 C ATOM 130 O THR A 9 -6.530 -10.422 2.937 1.00 0.00 O ATOM 131 CB THR A 9 -7.426 -8.981 5.417 1.00 0.00 C ATOM 132 OG1 THR A 9 -8.375 -8.105 4.835 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.361 -8.668 6.896 1.00 0.00 C ATOM 0 H THR A 9 -6.513 -7.684 3.017 1.00 0.00 H new ATOM 0 HA THR A 9 -5.258 -8.784 5.432 1.00 0.00 H new ATOM 0 HB THR A 9 -7.722 -10.023 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.233 -8.198 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.354 -8.773 7.334 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.674 -9.359 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.008 -7.646 7.037 1.00 0.00 H new ATOM 141 N ASP A 10 -4.797 -10.876 4.322 1.00 0.00 N ATOM 142 CA ASP A 10 -4.406 -12.140 3.717 1.00 0.00 C ATOM 143 C ASP A 10 -4.257 -12.081 2.205 1.00 0.00 C ATOM 144 O ASP A 10 -4.929 -11.319 1.512 1.00 0.00 O ATOM 145 CB ASP A 10 -5.366 -13.260 4.092 1.00 0.00 C ATOM 146 CG ASP A 10 -6.758 -13.054 3.528 1.00 0.00 C ATOM 147 OD1 ASP A 10 -6.900 -13.038 2.287 1.00 0.00 O ATOM 148 OD2 ASP A 10 -7.707 -12.910 4.327 1.00 0.00 O ATOM 0 H ASP A 10 -4.215 -10.613 5.117 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.418 -12.352 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.969 -14.209 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.426 -13.333 5.178 1.00 0.00 H new ATOM 153 N PRO A 11 -3.319 -12.885 1.695 1.00 0.00 N ATOM 154 CA PRO A 11 -2.961 -12.983 0.299 1.00 0.00 C ATOM 155 C PRO A 11 -3.456 -14.288 -0.322 1.00 0.00 C ATOM 156 O PRO A 11 -2.823 -15.333 -0.171 1.00 0.00 O ATOM 157 CB PRO A 11 -1.423 -12.993 0.415 1.00 0.00 C ATOM 158 CG PRO A 11 -1.141 -13.299 1.869 1.00 0.00 C ATOM 159 CD PRO A 11 -2.437 -13.760 2.439 1.00 0.00 C ATOM 0 HA PRO A 11 -3.382 -12.198 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.983 -13.746 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.999 -12.032 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.374 -14.068 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.775 -12.415 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.631 -14.816 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.503 -13.611 3.517 1.00 0.00 H new ATOM 167 N GLU A 12 -4.589 -14.232 -1.010 1.00 0.00 N ATOM 168 CA GLU A 12 -5.154 -15.424 -1.635 1.00 0.00 C ATOM 169 C GLU A 12 -4.539 -15.672 -3.009 1.00 0.00 C ATOM 170 O GLU A 12 -4.112 -14.737 -3.685 1.00 0.00 O ATOM 171 CB GLU A 12 -6.673 -15.286 -1.762 1.00 0.00 C ATOM 172 CG GLU A 12 -7.106 -14.097 -2.604 1.00 0.00 C ATOM 173 CD GLU A 12 -8.224 -14.442 -3.568 1.00 0.00 C ATOM 174 OE1 GLU A 12 -8.229 -15.576 -4.091 1.00 0.00 O ATOM 175 OE2 GLU A 12 -9.096 -13.578 -3.800 1.00 0.00 O ATOM 0 H GLU A 12 -5.133 -13.381 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.922 -16.278 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.077 -16.198 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.106 -15.193 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.433 -13.291 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.250 -13.723 -3.165 1.00 0.00 H new ATOM 182 N LYS A 13 -4.502 -16.939 -3.414 1.00 0.00 N ATOM 183 CA LYS A 13 -3.947 -17.313 -4.711 1.00 0.00 C ATOM 184 C LYS A 13 -4.966 -17.059 -5.817 1.00 0.00 C ATOM 185 O LYS A 13 -6.127 -17.452 -5.706 1.00 0.00 O ATOM 186 CB LYS A 13 -3.526 -18.783 -4.707 1.00 0.00 C ATOM 187 CG LYS A 13 -2.709 -19.186 -5.924 1.00 0.00 C ATOM 188 CD LYS A 13 -1.232 -18.883 -5.728 1.00 0.00 C ATOM 189 CE LYS A 13 -0.478 -20.095 -5.203 1.00 0.00 C ATOM 190 NZ LYS A 13 -0.230 -20.004 -3.736 1.00 0.00 N ATOM 0 H LYS A 13 -4.850 -17.723 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.066 -16.699 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.944 -18.983 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.418 -19.407 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.841 -20.251 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.077 -18.656 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.796 -18.565 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.119 -18.053 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.048 -20.999 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.474 -20.185 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.373 -20.797 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.247 -19.105 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.136 -20.046 -3.227 1.00 0.00 H new ATOM 204 N ILE A 14 -4.529 -16.386 -6.875 1.00 0.00 N ATOM 205 CA ILE A 14 -5.410 -16.061 -7.991 1.00 0.00 C ATOM 206 C ILE A 14 -5.244 -17.065 -9.128 1.00 0.00 C ATOM 207 O ILE A 14 -6.168 -17.815 -9.447 1.00 0.00 O ATOM 208 CB ILE A 14 -5.138 -14.628 -8.517 1.00 0.00 C ATOM 209 CG1 ILE A 14 -5.460 -13.563 -7.455 1.00 0.00 C ATOM 210 CG2 ILE A 14 -5.948 -14.351 -9.775 1.00 0.00 C ATOM 211 CD1 ILE A 14 -5.374 -14.046 -6.023 1.00 0.00 C ATOM 0 H ILE A 14 -3.570 -16.055 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.435 -16.111 -7.623 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.075 -14.570 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.775 -12.725 -7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.466 -13.183 -7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.741 -13.340 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.674 -15.067 -10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.011 -14.447 -9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.617 -13.226 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.080 -14.863 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.363 -14.397 -5.818 1.00 0.00 H new ATOM 223 N GLY A 15 -4.064 -17.073 -9.738 1.00 0.00 N ATOM 224 CA GLY A 15 -3.802 -17.989 -10.833 1.00 0.00 C ATOM 225 C GLY A 15 -3.834 -19.440 -10.397 1.00 0.00 C ATOM 226 O GLY A 15 -3.937 -19.735 -9.205 1.00 0.00 O ATOM 0 H GLY A 15 -3.284 -16.462 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.542 -17.833 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.827 -17.764 -11.265 1.00 0.00 H new ATOM 230 N ASP A 16 -3.749 -20.348 -11.361 1.00 0.00 N ATOM 231 CA ASP A 16 -3.768 -21.777 -11.070 1.00 0.00 C ATOM 232 C ASP A 16 -3.526 -22.595 -12.333 1.00 0.00 C ATOM 233 O ASP A 16 -4.176 -22.381 -13.358 1.00 0.00 O ATOM 234 CB ASP A 16 -5.105 -22.172 -10.439 1.00 0.00 C ATOM 235 CG ASP A 16 -5.022 -23.481 -9.679 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.897 -23.889 -9.320 1.00 0.00 O ATOM 237 OD2 ASP A 16 -6.081 -24.099 -9.443 1.00 0.00 O ATOM 0 H ASP A 16 -3.666 -20.121 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.964 -21.989 -10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.431 -21.382 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.861 -22.256 -11.220 1.00 0.00 H new ATOM 242 N GLY A 17 -2.587 -23.532 -12.255 1.00 0.00 N ATOM 243 CA GLY A 17 -2.273 -24.368 -13.398 1.00 0.00 C ATOM 244 C GLY A 17 -0.781 -24.485 -13.636 1.00 0.00 C ATOM 245 O GLY A 17 -0.291 -25.537 -14.048 1.00 0.00 O ATOM 0 H GLY A 17 -2.037 -23.727 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.693 -25.362 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.749 -23.956 -14.288 1.00 0.00 H new ATOM 249 N MET A 18 -0.057 -23.403 -13.373 1.00 0.00 N ATOM 250 CA MET A 18 1.389 -23.384 -13.557 1.00 0.00 C ATOM 251 C MET A 18 2.030 -22.305 -12.690 1.00 0.00 C ATOM 252 O MET A 18 2.753 -22.606 -11.740 1.00 0.00 O ATOM 253 CB MET A 18 1.733 -23.144 -15.029 1.00 0.00 C ATOM 254 CG MET A 18 2.988 -23.870 -15.486 1.00 0.00 C ATOM 255 SD MET A 18 3.427 -23.488 -17.193 1.00 0.00 S ATOM 256 CE MET A 18 4.467 -24.889 -17.597 1.00 0.00 C ATOM 0 H MET A 18 -0.449 -22.526 -13.031 1.00 0.00 H new ATOM 0 HA MET A 18 1.784 -24.353 -13.253 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.893 -23.463 -15.647 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.862 -22.074 -15.194 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.818 -23.601 -14.832 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.839 -24.945 -15.385 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.818 -24.797 -18.625 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.323 -24.914 -16.922 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.894 -25.810 -17.490 1.00 0.00 H new ATOM 266 N ASN A 19 1.755 -21.047 -13.022 1.00 0.00 N ATOM 267 CA ASN A 19 2.300 -19.920 -12.273 1.00 0.00 C ATOM 268 C ASN A 19 1.178 -19.028 -11.756 1.00 0.00 C ATOM 269 O ASN A 19 0.701 -18.140 -12.464 1.00 0.00 O ATOM 270 CB ASN A 19 3.251 -19.107 -13.151 1.00 0.00 C ATOM 271 CG ASN A 19 4.627 -19.737 -13.249 1.00 0.00 C ATOM 272 OD1 ASN A 19 4.687 -20.942 -13.804 1.00 0.00 O flip ATOM 273 ND2 ASN A 19 5.624 -19.148 -12.830 1.00 0.00 N flip ATOM 0 H ASN A 19 1.158 -20.783 -13.805 1.00 0.00 H new ATOM 0 HA ASN A 19 2.855 -20.312 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.826 -19.011 -14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.344 -18.099 -12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.531 -18.223 -12.411 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.543 -19.585 -12.902 1.00 0.00 H new ATOM 280 N ALA A 20 0.756 -19.275 -10.521 1.00 0.00 N ATOM 281 CA ALA A 20 -0.316 -18.498 -9.912 1.00 0.00 C ATOM 282 C ALA A 20 0.233 -17.324 -9.109 1.00 0.00 C ATOM 283 O ALA A 20 1.314 -17.407 -8.525 1.00 0.00 O ATOM 284 CB ALA A 20 -1.173 -19.388 -9.025 1.00 0.00 C ATOM 0 H ALA A 20 1.140 -20.007 -9.923 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.933 -18.094 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.970 -18.795 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.609 -20.187 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.555 -19.820 -8.238 1.00 0.00 H new ATOM 290 N TYR A 21 -0.523 -16.231 -9.085 1.00 0.00 N ATOM 291 CA TYR A 21 -0.124 -15.036 -8.353 1.00 0.00 C ATOM 292 C TYR A 21 -1.154 -14.687 -7.292 1.00 0.00 C ATOM 293 O TYR A 21 -2.310 -15.104 -7.379 1.00 0.00 O ATOM 294 CB TYR A 21 0.033 -13.851 -9.310 1.00 0.00 C ATOM 295 CG TYR A 21 -1.255 -13.455 -10.004 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.294 -12.836 -9.309 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.432 -13.699 -11.361 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.465 -12.478 -9.949 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.600 -13.343 -12.006 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.614 -12.733 -11.296 1.00 0.00 C ATOM 301 OH TYR A 21 -4.778 -12.375 -11.937 1.00 0.00 O ATOM 0 H TYR A 21 -1.419 -16.149 -9.566 1.00 0.00 H new ATOM 0 HA TYR A 21 0.831 -15.242 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.414 -12.994 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.780 -14.100 -10.064 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.181 -12.633 -8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.641 -14.176 -11.921 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.261 -12.000 -9.396 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.719 -13.541 -13.061 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.720 -12.624 -12.883 1.00 0.00 H new ATOM 311 N VAL A 22 -0.746 -13.903 -6.302 1.00 0.00 N ATOM 312 CA VAL A 22 -1.662 -13.491 -5.254 1.00 0.00 C ATOM 313 C VAL A 22 -2.177 -12.088 -5.512 1.00 0.00 C ATOM 314 O VAL A 22 -1.492 -11.249 -6.097 1.00 0.00 O ATOM 315 CB VAL A 22 -1.029 -13.525 -3.849 1.00 0.00 C ATOM 316 CG1 VAL A 22 -1.938 -12.822 -2.842 1.00 0.00 C ATOM 317 CG2 VAL A 22 -0.754 -14.957 -3.414 1.00 0.00 C ATOM 0 H VAL A 22 0.204 -13.544 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.479 -14.212 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.077 -12.995 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.479 -12.853 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.081 -11.784 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.904 -13.326 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.307 -14.956 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.689 -15.516 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.068 -15.426 -4.119 1.00 0.00 H new ATOM 327 N ALA A 23 -3.389 -11.851 -5.056 1.00 0.00 N ATOM 328 CA ALA A 23 -4.036 -10.572 -5.201 1.00 0.00 C ATOM 329 C ALA A 23 -3.952 -9.779 -3.900 1.00 0.00 C ATOM 330 O ALA A 23 -3.325 -10.220 -2.937 1.00 0.00 O ATOM 331 CB ALA A 23 -5.471 -10.813 -5.584 1.00 0.00 C ATOM 0 H ALA A 23 -3.954 -12.548 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.538 -9.987 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.982 -9.857 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.509 -11.361 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.963 -11.395 -4.805 1.00 0.00 H new ATOM 337 N TYR A 24 -4.585 -8.613 -3.874 1.00 0.00 N ATOM 338 CA TYR A 24 -4.575 -7.771 -2.683 1.00 0.00 C ATOM 339 C TYR A 24 -5.975 -7.244 -2.378 1.00 0.00 C ATOM 340 O TYR A 24 -6.533 -6.459 -3.143 1.00 0.00 O ATOM 341 CB TYR A 24 -3.599 -6.607 -2.864 1.00 0.00 C ATOM 342 CG TYR A 24 -2.190 -6.928 -2.424 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.456 -7.930 -3.047 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.596 -6.230 -1.381 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.168 -8.226 -2.643 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.308 -6.520 -0.972 1.00 0.00 C ATOM 347 CZ TYR A 24 0.402 -7.518 -1.606 1.00 0.00 C ATOM 348 OH TYR A 24 1.687 -7.810 -1.203 1.00 0.00 O ATOM 0 H TYR A 24 -5.110 -8.229 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.247 -8.378 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.586 -6.314 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.961 -5.748 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.899 -8.486 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.149 -5.448 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.389 -9.008 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.140 -5.968 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 24 1.940 -7.220 -0.462 1.00 0.00 H new ATOM 358 N LYS A 25 -6.536 -7.688 -1.256 1.00 0.00 N ATOM 359 CA LYS A 25 -7.874 -7.262 -0.853 1.00 0.00 C ATOM 360 C LYS A 25 -7.833 -5.902 -0.172 1.00 0.00 C ATOM 361 O LYS A 25 -7.685 -5.806 1.047 1.00 0.00 O ATOM 362 CB LYS A 25 -8.511 -8.303 0.075 1.00 0.00 C ATOM 363 CG LYS A 25 -9.896 -7.915 0.579 1.00 0.00 C ATOM 364 CD LYS A 25 -10.868 -7.670 -0.566 1.00 0.00 C ATOM 365 CE LYS A 25 -11.570 -8.950 -0.994 1.00 0.00 C ATOM 366 NZ LYS A 25 -12.912 -8.678 -1.578 1.00 0.00 N ATOM 0 H LYS A 25 -6.088 -8.340 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.484 -7.173 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.581 -9.253 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.855 -8.462 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.283 -8.706 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.821 -7.016 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.611 -6.933 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.330 -7.249 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.955 -9.474 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.675 -9.611 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.358 -9.575 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.508 -8.201 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.810 -8.068 -2.414 1.00 0.00 H new ATOM 380 N VAL A 26 -7.974 -4.853 -0.972 1.00 0.00 N ATOM 381 CA VAL A 26 -7.963 -3.490 -0.463 1.00 0.00 C ATOM 382 C VAL A 26 -9.388 -2.960 -0.329 1.00 0.00 C ATOM 383 O VAL A 26 -9.942 -2.393 -1.271 1.00 0.00 O ATOM 384 CB VAL A 26 -7.142 -2.563 -1.385 1.00 0.00 C ATOM 385 CG1 VAL A 26 -7.256 -1.106 -0.952 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.687 -3.006 -1.416 1.00 0.00 C ATOM 0 H VAL A 26 -8.098 -4.922 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.494 -3.503 0.521 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.551 -2.638 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.666 -0.480 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.300 -0.796 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.883 -0.999 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.119 -2.344 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.272 -2.964 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.626 -4.027 -1.792 1.00 0.00 H new ATOM 396 N THR A 27 -9.976 -3.159 0.845 1.00 0.00 N ATOM 397 CA THR A 27 -11.340 -2.712 1.104 1.00 0.00 C ATOM 398 C THR A 27 -11.366 -1.258 1.567 1.00 0.00 C ATOM 399 O THR A 27 -11.588 -0.976 2.744 1.00 0.00 O ATOM 400 CB THR A 27 -11.998 -3.608 2.154 1.00 0.00 C ATOM 401 OG1 THR A 27 -11.976 -4.963 1.743 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.438 -3.238 2.439 1.00 0.00 C ATOM 0 H THR A 27 -9.529 -3.627 1.633 1.00 0.00 H new ATOM 0 HA THR A 27 -11.900 -2.781 0.171 1.00 0.00 H new ATOM 0 HB THR A 27 -11.415 -3.462 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.400 -5.520 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.845 -3.913 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.484 -2.213 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.023 -3.322 1.523 1.00 0.00 H new ATOM 410 N THR A 28 -11.147 -0.341 0.631 1.00 0.00 N ATOM 411 CA THR A 28 -11.155 1.084 0.940 1.00 0.00 C ATOM 412 C THR A 28 -12.588 1.599 1.022 1.00 0.00 C ATOM 413 O THR A 28 -13.471 1.115 0.314 1.00 0.00 O ATOM 414 CB THR A 28 -10.373 1.862 -0.121 1.00 0.00 C ATOM 415 OG1 THR A 28 -9.054 1.362 -0.241 1.00 0.00 O ATOM 416 CG2 THR A 28 -10.276 3.342 0.168 1.00 0.00 C ATOM 0 H THR A 28 -10.962 -0.559 -0.348 1.00 0.00 H new ATOM 0 HA THR A 28 -10.674 1.233 1.907 1.00 0.00 H new ATOM 0 HB THR A 28 -10.934 1.726 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.572 1.872 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.709 3.831 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.277 3.770 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.772 3.494 1.122 1.00 0.00 H new ATOM 424 N GLN A 29 -12.819 2.576 1.891 1.00 0.00 N ATOM 425 CA GLN A 29 -14.151 3.142 2.058 1.00 0.00 C ATOM 426 C GLN A 29 -14.091 4.642 2.286 1.00 0.00 C ATOM 427 O GLN A 29 -13.513 5.111 3.267 1.00 0.00 O ATOM 428 CB GLN A 29 -14.876 2.483 3.232 1.00 0.00 C ATOM 429 CG GLN A 29 -14.019 2.341 4.479 1.00 0.00 C ATOM 430 CD GLN A 29 -14.388 1.127 5.306 1.00 0.00 C ATOM 431 OE1 GLN A 29 -15.539 1.187 5.967 1.00 0.00 O flip ATOM 432 NE2 GLN A 29 -13.648 0.143 5.350 1.00 0.00 N flip ATOM 0 H GLN A 29 -12.104 2.991 2.488 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.701 2.949 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.762 3.070 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.222 1.496 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.971 2.273 4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.123 3.237 5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.773 0.139 4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.911 -0.668 5.910 1.00 0.00 H new ATOM 441 N THR A 30 -14.706 5.390 1.383 1.00 0.00 N ATOM 442 CA THR A 30 -14.736 6.841 1.495 1.00 0.00 C ATOM 443 C THR A 30 -16.071 7.387 1.008 1.00 0.00 C ATOM 444 O THR A 30 -16.304 7.527 -0.192 1.00 0.00 O ATOM 445 CB THR A 30 -13.598 7.459 0.688 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.778 8.857 0.551 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.481 6.870 -0.694 1.00 0.00 C ATOM 0 H THR A 30 -15.190 5.018 0.566 1.00 0.00 H new ATOM 0 HA THR A 30 -14.611 7.105 2.545 1.00 0.00 H new ATOM 0 HB THR A 30 -12.686 7.240 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.037 9.233 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.656 7.346 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.294 5.799 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.409 7.038 -1.241 1.00 0.00 H new ATOM 455 N SER A 31 -16.939 7.695 1.957 1.00 0.00 N ATOM 456 CA SER A 31 -18.261 8.232 1.650 1.00 0.00 C ATOM 457 C SER A 31 -18.166 9.656 1.106 1.00 0.00 C ATOM 458 O SER A 31 -19.123 10.172 0.528 1.00 0.00 O ATOM 459 CB SER A 31 -19.142 8.212 2.901 1.00 0.00 C ATOM 460 OG SER A 31 -19.495 6.886 3.255 1.00 0.00 O ATOM 0 H SER A 31 -16.753 7.583 2.954 1.00 0.00 H new ATOM 0 HA SER A 31 -18.709 7.602 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.614 8.684 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.045 8.797 2.723 1.00 0.00 H new ATOM 0 HG SER A 31 -20.056 6.900 4.058 1.00 0.00 H new ATOM 466 N LEU A 32 -17.009 10.288 1.293 1.00 0.00 N ATOM 467 CA LEU A 32 -16.792 11.653 0.821 1.00 0.00 C ATOM 468 C LEU A 32 -17.207 11.804 -0.641 1.00 0.00 C ATOM 469 O LEU A 32 -17.302 10.819 -1.373 1.00 0.00 O ATOM 470 CB LEU A 32 -15.319 12.037 0.985 1.00 0.00 C ATOM 471 CG LEU A 32 -14.958 12.711 2.311 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.620 11.993 3.478 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.448 12.748 2.493 1.00 0.00 C ATOM 0 H LEU A 32 -16.207 9.875 1.769 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.410 12.320 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.713 11.137 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.043 12.706 0.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.329 13.736 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.350 12.489 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.703 12.018 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.282 10.957 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.207 13.230 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.057 11.731 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.997 13.310 1.675 1.00 0.00 H new ATOM 485 N PRO A 33 -17.458 13.048 -1.087 1.00 0.00 N ATOM 486 CA PRO A 33 -17.858 13.328 -2.463 1.00 0.00 C ATOM 487 C PRO A 33 -16.663 13.418 -3.408 1.00 0.00 C ATOM 488 O PRO A 33 -16.549 14.359 -4.192 1.00 0.00 O ATOM 489 CB PRO A 33 -18.544 14.686 -2.340 1.00 0.00 C ATOM 490 CG PRO A 33 -17.821 15.367 -1.228 1.00 0.00 C ATOM 491 CD PRO A 33 -17.367 14.281 -0.281 1.00 0.00 C ATOM 0 HA PRO A 33 -18.488 12.543 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -18.471 15.254 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -19.605 14.576 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -16.969 15.931 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.473 16.077 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.350 14.456 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -18.004 14.229 0.602 1.00 0.00 H new ATOM 499 N LEU A 34 -15.773 12.433 -3.326 1.00 0.00 N ATOM 500 CA LEU A 34 -14.586 12.403 -4.171 1.00 0.00 C ATOM 501 C LEU A 34 -14.649 11.247 -5.162 1.00 0.00 C ATOM 502 O LEU A 34 -14.628 11.456 -6.375 1.00 0.00 O ATOM 503 CB LEU A 34 -13.325 12.282 -3.312 1.00 0.00 C ATOM 504 CG LEU A 34 -13.246 13.254 -2.134 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.055 12.922 -1.249 1.00 0.00 C ATOM 506 CD2 LEU A 34 -13.157 14.688 -2.633 1.00 0.00 C ATOM 0 H LEU A 34 -15.852 11.646 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.549 13.337 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -13.262 11.264 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.454 12.436 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.154 13.152 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.014 13.624 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.159 11.907 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.137 12.997 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.102 15.367 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.265 14.804 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.041 14.922 -3.227 1.00 0.00 H new ATOM 518 N PHE A 35 -14.722 10.026 -4.640 1.00 0.00 N ATOM 519 CA PHE A 35 -14.782 8.839 -5.487 1.00 0.00 C ATOM 520 C PHE A 35 -15.220 7.611 -4.694 1.00 0.00 C ATOM 521 O PHE A 35 -15.703 7.723 -3.567 1.00 0.00 O ATOM 522 CB PHE A 35 -13.416 8.586 -6.130 1.00 0.00 C ATOM 523 CG PHE A 35 -13.489 8.319 -7.606 1.00 0.00 C ATOM 524 CD1 PHE A 35 -14.274 9.110 -8.429 1.00 0.00 C ATOM 525 CD2 PHE A 35 -12.771 7.276 -8.170 1.00 0.00 C ATOM 526 CE1 PHE A 35 -14.342 8.866 -9.788 1.00 0.00 C ATOM 527 CE2 PHE A 35 -12.835 7.028 -9.528 1.00 0.00 C ATOM 528 CZ PHE A 35 -13.621 7.823 -10.338 1.00 0.00 C ATOM 0 H PHE A 35 -14.741 9.833 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.523 9.019 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.776 9.451 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.943 7.736 -5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -14.839 9.926 -8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.155 6.650 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -14.958 9.490 -10.419 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.270 6.213 -9.955 1.00 0.00 H new ATOM 0 HZ PHE A 35 -13.672 7.630 -11.399 1.00 0.00 H new ATOM 538 N ARG A 36 -15.046 6.437 -5.297 1.00 0.00 N ATOM 539 CA ARG A 36 -15.418 5.176 -4.661 1.00 0.00 C ATOM 540 C ARG A 36 -16.933 5.060 -4.517 1.00 0.00 C ATOM 541 O ARG A 36 -17.574 4.283 -5.226 1.00 0.00 O ATOM 542 CB ARG A 36 -14.739 5.043 -3.293 1.00 0.00 C ATOM 543 CG ARG A 36 -13.263 5.422 -3.299 1.00 0.00 C ATOM 544 CD ARG A 36 -12.520 4.776 -4.457 1.00 0.00 C ATOM 545 NE ARG A 36 -11.217 4.255 -4.049 1.00 0.00 N ATOM 546 CZ ARG A 36 -11.042 3.080 -3.451 1.00 0.00 C ATOM 547 NH1 ARG A 36 -12.083 2.305 -3.175 1.00 0.00 N ATOM 548 NH2 ARG A 36 -9.821 2.678 -3.126 1.00 0.00 N ATOM 0 H ARG A 36 -14.648 6.333 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.076 4.363 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.263 5.673 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.839 4.014 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.166 6.506 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.805 5.117 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.122 3.965 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.385 5.507 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.393 4.827 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.025 2.609 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.941 1.405 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.017 3.270 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.686 1.777 -2.667 1.00 0.00 H new ATOM 562 N SER A 37 -17.504 5.836 -3.600 1.00 0.00 N ATOM 563 CA SER A 37 -18.945 5.816 -3.370 1.00 0.00 C ATOM 564 C SER A 37 -19.411 4.434 -2.920 1.00 0.00 C ATOM 565 O SER A 37 -19.255 3.449 -3.641 1.00 0.00 O ATOM 566 CB SER A 37 -19.692 6.231 -4.639 1.00 0.00 C ATOM 567 OG SER A 37 -19.979 7.618 -4.630 1.00 0.00 O ATOM 0 H SER A 37 -16.991 6.486 -3.004 1.00 0.00 H new ATOM 0 HA SER A 37 -19.167 6.528 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.091 5.986 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.620 5.665 -4.720 1.00 0.00 H new ATOM 0 HG SER A 37 -20.455 7.859 -5.452 1.00 0.00 H new ATOM 573 N LYS A 38 -19.984 4.371 -1.721 1.00 0.00 N ATOM 574 CA LYS A 38 -20.477 3.111 -1.167 1.00 0.00 C ATOM 575 C LYS A 38 -19.328 2.158 -0.834 1.00 0.00 C ATOM 576 O LYS A 38 -19.560 0.992 -0.515 1.00 0.00 O ATOM 577 CB LYS A 38 -21.442 2.438 -2.147 1.00 0.00 C ATOM 578 CG LYS A 38 -22.501 3.377 -2.703 1.00 0.00 C ATOM 579 CD LYS A 38 -23.429 2.662 -3.674 1.00 0.00 C ATOM 580 CE LYS A 38 -24.859 2.628 -3.158 1.00 0.00 C ATOM 581 NZ LYS A 38 -25.538 1.344 -3.489 1.00 0.00 N ATOM 0 H LYS A 38 -20.119 5.179 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.006 3.343 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.871 2.018 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.935 1.606 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.084 3.795 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.018 4.213 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.402 3.164 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.075 1.644 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.859 2.771 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.420 3.457 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -26.510 1.360 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.561 1.220 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -25.017 0.554 -3.057 1.00 0.00 H new ATOM 595 N GLN A 39 -18.092 2.662 -0.906 1.00 0.00 N ATOM 596 CA GLN A 39 -16.901 1.864 -0.609 1.00 0.00 C ATOM 597 C GLN A 39 -16.934 0.503 -1.305 1.00 0.00 C ATOM 598 O GLN A 39 -17.910 0.151 -1.968 1.00 0.00 O ATOM 599 CB GLN A 39 -16.748 1.674 0.903 1.00 0.00 C ATOM 600 CG GLN A 39 -17.896 0.918 1.551 1.00 0.00 C ATOM 601 CD GLN A 39 -17.621 0.573 3.001 1.00 0.00 C ATOM 602 OE1 GLN A 39 -17.907 1.510 3.897 1.00 0.00 O flip ATOM 603 NE2 GLN A 39 -17.156 -0.523 3.313 1.00 0.00 N flip ATOM 0 H GLN A 39 -17.891 3.627 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.041 2.413 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -15.818 1.140 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.659 2.653 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.803 1.520 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.084 0.001 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.951 -1.214 2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.976 -0.740 4.293 1.00 0.00 H new ATOM 612 N PHE A 40 -15.855 -0.260 -1.144 1.00 0.00 N ATOM 613 CA PHE A 40 -15.754 -1.589 -1.748 1.00 0.00 C ATOM 614 C PHE A 40 -14.347 -2.159 -1.606 1.00 0.00 C ATOM 615 O PHE A 40 -13.510 -1.617 -0.886 1.00 0.00 O ATOM 616 CB PHE A 40 -16.130 -1.554 -3.229 1.00 0.00 C ATOM 617 CG PHE A 40 -15.468 -0.444 -3.997 1.00 0.00 C ATOM 618 CD1 PHE A 40 -14.099 -0.457 -4.221 1.00 0.00 C ATOM 619 CD2 PHE A 40 -16.216 0.609 -4.496 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.491 0.562 -4.929 1.00 0.00 C ATOM 621 CE2 PHE A 40 -15.612 1.631 -5.205 1.00 0.00 C ATOM 622 CZ PHE A 40 -14.248 1.608 -5.422 1.00 0.00 C ATOM 0 H PHE A 40 -15.038 0.018 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.454 -2.231 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.863 -2.508 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.211 -1.450 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.502 -1.272 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -17.283 0.632 -4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.424 0.541 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -16.206 2.447 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.774 2.405 -5.975 1.00 0.00 H new ATOM 632 N ALA A 41 -14.105 -3.263 -2.304 1.00 0.00 N ATOM 633 CA ALA A 41 -12.815 -3.931 -2.276 1.00 0.00 C ATOM 634 C ALA A 41 -12.295 -4.164 -3.690 1.00 0.00 C ATOM 635 O ALA A 41 -13.048 -4.563 -4.580 1.00 0.00 O ATOM 636 CB ALA A 41 -12.944 -5.249 -1.540 1.00 0.00 C ATOM 0 H ALA A 41 -14.796 -3.716 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.100 -3.294 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.976 -5.750 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.279 -5.065 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.669 -5.882 -2.051 1.00 0.00 H new ATOM 642 N VAL A 42 -11.007 -3.920 -3.893 1.00 0.00 N ATOM 643 CA VAL A 42 -10.391 -4.109 -5.202 1.00 0.00 C ATOM 644 C VAL A 42 -9.314 -5.191 -5.141 1.00 0.00 C ATOM 645 O VAL A 42 -8.649 -5.361 -4.118 1.00 0.00 O ATOM 646 CB VAL A 42 -9.793 -2.786 -5.743 1.00 0.00 C ATOM 647 CG1 VAL A 42 -9.247 -1.936 -4.606 1.00 0.00 C ATOM 648 CG2 VAL A 42 -8.714 -3.052 -6.786 1.00 0.00 C ATOM 0 H VAL A 42 -10.368 -3.591 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.173 -4.431 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.596 -2.232 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.832 -1.012 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.052 -1.699 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.465 -2.487 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.314 -2.104 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.911 -3.637 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.144 -3.605 -7.621 1.00 0.00 H new ATOM 658 N LYS A 43 -9.155 -5.924 -6.239 1.00 0.00 N ATOM 659 CA LYS A 43 -8.170 -6.998 -6.308 1.00 0.00 C ATOM 660 C LYS A 43 -7.057 -6.670 -7.301 1.00 0.00 C ATOM 661 O LYS A 43 -7.313 -6.432 -8.481 1.00 0.00 O ATOM 662 CB LYS A 43 -8.854 -8.310 -6.706 1.00 0.00 C ATOM 663 CG LYS A 43 -8.934 -9.330 -5.580 1.00 0.00 C ATOM 664 CD LYS A 43 -9.590 -8.749 -4.339 1.00 0.00 C ATOM 665 CE LYS A 43 -8.882 -9.209 -3.076 1.00 0.00 C ATOM 666 NZ LYS A 43 -8.950 -10.686 -2.906 1.00 0.00 N ATOM 0 H LYS A 43 -9.696 -5.794 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.721 -7.106 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.862 -8.091 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.314 -8.750 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.499 -10.200 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.931 -9.678 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.574 -7.660 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.637 -9.051 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.839 -8.896 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.332 -8.723 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.515 -10.952 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.944 -10.991 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.439 -11.149 -3.684 1.00 0.00 H new ATOM 680 N ARG A 44 -5.817 -6.671 -6.815 1.00 0.00 N ATOM 681 CA ARG A 44 -4.661 -6.387 -7.659 1.00 0.00 C ATOM 682 C ARG A 44 -3.427 -7.136 -7.155 1.00 0.00 C ATOM 683 O ARG A 44 -3.371 -7.546 -5.995 1.00 0.00 O ATOM 684 CB ARG A 44 -4.395 -4.874 -7.721 1.00 0.00 C ATOM 685 CG ARG A 44 -3.540 -4.333 -6.581 1.00 0.00 C ATOM 686 CD ARG A 44 -4.294 -4.340 -5.261 1.00 0.00 C ATOM 687 NE ARG A 44 -5.278 -3.261 -5.185 1.00 0.00 N ATOM 688 CZ ARG A 44 -4.961 -1.969 -5.157 1.00 0.00 C ATOM 689 NH1 ARG A 44 -3.692 -1.587 -5.191 1.00 0.00 N ATOM 690 NH2 ARG A 44 -5.919 -1.055 -5.092 1.00 0.00 N ATOM 0 H ARG A 44 -5.588 -6.866 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.880 -6.736 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.905 -4.643 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.351 -4.350 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.636 -4.935 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.224 -3.316 -6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.797 -5.299 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.585 -4.243 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.266 -3.514 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.950 -2.285 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.457 -0.595 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.897 -1.343 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.678 -0.064 -5.070 1.00 0.00 H new ATOM 704 N ARG A 45 -2.445 -7.318 -8.033 1.00 0.00 N ATOM 705 CA ARG A 45 -1.218 -8.026 -7.674 1.00 0.00 C ATOM 706 C ARG A 45 -0.233 -7.098 -6.969 1.00 0.00 C ATOM 707 O ARG A 45 -0.356 -5.876 -7.036 1.00 0.00 O ATOM 708 CB ARG A 45 -0.567 -8.626 -8.921 1.00 0.00 C ATOM 709 CG ARG A 45 -0.354 -7.619 -10.041 1.00 0.00 C ATOM 710 CD ARG A 45 0.938 -7.888 -10.793 1.00 0.00 C ATOM 711 NE ARG A 45 0.768 -8.901 -11.832 1.00 0.00 N ATOM 712 CZ ARG A 45 0.048 -8.715 -12.936 1.00 0.00 C ATOM 713 NH1 ARG A 45 -0.570 -7.561 -13.149 1.00 0.00 N ATOM 714 NH2 ARG A 45 -0.054 -9.689 -13.830 1.00 0.00 N ATOM 0 H ARG A 45 -2.474 -6.986 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.484 -8.829 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.394 -9.060 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.190 -9.441 -9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.195 -7.660 -10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.332 -6.611 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.294 -6.962 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.705 -8.215 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 45 1.227 -9.803 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.495 -6.809 -12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.120 -7.426 -13.997 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.419 -10.579 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.605 -9.548 -14.677 1.00 0.00 H new ATOM 728 N PHE A 46 0.746 -7.692 -6.290 1.00 0.00 N ATOM 729 CA PHE A 46 1.757 -6.924 -5.569 1.00 0.00 C ATOM 730 C PHE A 46 2.661 -6.168 -6.535 1.00 0.00 C ATOM 731 O PHE A 46 3.039 -5.024 -6.281 1.00 0.00 O ATOM 732 CB PHE A 46 2.599 -7.847 -4.685 1.00 0.00 C ATOM 733 CG PHE A 46 3.062 -9.092 -5.387 1.00 0.00 C ATOM 734 CD1 PHE A 46 4.141 -9.053 -6.254 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.416 -10.301 -5.179 1.00 0.00 C ATOM 736 CE1 PHE A 46 4.570 -10.197 -6.901 1.00 0.00 C ATOM 737 CE2 PHE A 46 2.840 -11.448 -5.823 1.00 0.00 C ATOM 738 CZ PHE A 46 3.919 -11.396 -6.685 1.00 0.00 C ATOM 0 H PHE A 46 0.860 -8.703 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 46 1.241 -6.199 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.469 -7.298 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.015 -8.129 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.653 -8.118 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.572 -10.347 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.413 -10.153 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.329 -12.384 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.253 -12.291 -7.189 1.00 0.00 H new ATOM 748 N SER A 47 3.008 -6.813 -7.646 1.00 0.00 N ATOM 749 CA SER A 47 3.870 -6.200 -8.650 1.00 0.00 C ATOM 750 C SER A 47 3.356 -4.820 -9.043 1.00 0.00 C ATOM 751 O SER A 47 4.134 -3.929 -9.387 1.00 0.00 O ATOM 752 CB SER A 47 3.962 -7.094 -9.889 1.00 0.00 C ATOM 753 OG SER A 47 5.216 -6.948 -10.531 1.00 0.00 O ATOM 0 H SER A 47 2.705 -7.760 -7.873 1.00 0.00 H new ATOM 0 HA SER A 47 4.864 -6.087 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.816 -8.135 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.162 -6.840 -10.585 1.00 0.00 H new ATOM 0 HG SER A 47 5.250 -7.531 -11.318 1.00 0.00 H new ATOM 759 N ASP A 48 2.040 -4.648 -8.984 1.00 0.00 N ATOM 760 CA ASP A 48 1.420 -3.375 -9.328 1.00 0.00 C ATOM 761 C ASP A 48 1.480 -2.406 -8.152 1.00 0.00 C ATOM 762 O ASP A 48 1.918 -1.264 -8.297 1.00 0.00 O ATOM 763 CB ASP A 48 -0.034 -3.591 -9.752 1.00 0.00 C ATOM 764 CG ASP A 48 -0.159 -3.988 -11.209 1.00 0.00 C ATOM 765 OD1 ASP A 48 0.648 -3.502 -12.028 1.00 0.00 O ATOM 766 OD2 ASP A 48 -1.065 -4.785 -11.532 1.00 0.00 O ATOM 0 H ASP A 48 1.382 -5.375 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 48 1.974 -2.942 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.480 -4.365 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.600 -2.676 -9.578 1.00 0.00 H new ATOM 771 N PHE A 49 1.039 -2.868 -6.986 1.00 0.00 N ATOM 772 CA PHE A 49 1.043 -2.041 -5.785 1.00 0.00 C ATOM 773 C PHE A 49 2.456 -1.581 -5.440 1.00 0.00 C ATOM 774 O PHE A 49 2.649 -0.501 -4.883 1.00 0.00 O ATOM 775 CB PHE A 49 0.440 -2.806 -4.605 1.00 0.00 C ATOM 776 CG PHE A 49 -0.556 -2.003 -3.817 1.00 0.00 C ATOM 777 CD1 PHE A 49 -0.416 -0.629 -3.693 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.633 -2.619 -3.204 1.00 0.00 C ATOM 779 CE1 PHE A 49 -1.331 0.113 -2.973 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.551 -1.883 -2.481 1.00 0.00 C ATOM 781 CZ PHE A 49 -2.401 -0.515 -2.365 1.00 0.00 C ATOM 0 H PHE A 49 0.674 -3.811 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 49 0.434 -1.160 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.045 -3.708 -4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.243 -3.127 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.419 -0.133 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.757 -3.688 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.211 1.183 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.386 -2.377 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.118 0.062 -1.801 1.00 0.00 H new ATOM 791 N LEU A 50 3.438 -2.409 -5.774 1.00 0.00 N ATOM 792 CA LEU A 50 4.835 -2.089 -5.502 1.00 0.00 C ATOM 793 C LEU A 50 5.214 -0.749 -6.126 1.00 0.00 C ATOM 794 O LEU A 50 6.030 -0.006 -5.579 1.00 0.00 O ATOM 795 CB LEU A 50 5.746 -3.195 -6.038 1.00 0.00 C ATOM 796 CG LEU A 50 7.020 -3.443 -5.225 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.989 -2.283 -5.386 1.00 0.00 C ATOM 798 CD2 LEU A 50 6.685 -3.660 -3.757 1.00 0.00 C ATOM 0 H LEU A 50 3.293 -3.308 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 50 4.965 -2.016 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.176 -4.123 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.030 -2.946 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 50 7.499 -4.346 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.888 -2.476 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.256 -2.175 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.519 -1.365 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.603 -3.835 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.182 -2.776 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.029 -4.525 -3.657 1.00 0.00 H new ATOM 810 N GLY A 51 4.614 -0.445 -7.274 1.00 0.00 N ATOM 811 CA GLY A 51 4.896 0.805 -7.958 1.00 0.00 C ATOM 812 C GLY A 51 4.803 2.009 -7.038 1.00 0.00 C ATOM 813 O GLY A 51 5.475 3.016 -7.255 1.00 0.00 O ATOM 0 H GLY A 51 3.935 -1.044 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.895 0.760 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.196 0.929 -8.784 1.00 0.00 H new ATOM 817 N LEU A 52 3.976 1.898 -6.003 1.00 0.00 N ATOM 818 CA LEU A 52 3.804 2.976 -5.038 1.00 0.00 C ATOM 819 C LEU A 52 4.899 2.918 -4.002 1.00 0.00 C ATOM 820 O LEU A 52 5.644 3.875 -3.795 1.00 0.00 O ATOM 821 CB LEU A 52 2.452 2.852 -4.338 1.00 0.00 C ATOM 822 CG LEU A 52 1.224 3.112 -5.206 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.156 3.816 -4.390 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.599 3.929 -6.432 1.00 0.00 C ATOM 0 H LEU A 52 3.413 1.069 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 52 3.849 3.926 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.372 1.848 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.434 3.548 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 52 0.825 2.158 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.718 3.999 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.127 3.190 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.545 4.766 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.710 4.104 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.018 4.885 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.338 3.385 -7.020 1.00 0.00 H new ATOM 836 N TYR A 53 4.978 1.775 -3.351 1.00 0.00 N ATOM 837 CA TYR A 53 5.975 1.550 -2.317 1.00 0.00 C ATOM 838 C TYR A 53 7.372 1.868 -2.848 1.00 0.00 C ATOM 839 O TYR A 53 8.215 2.404 -2.129 1.00 0.00 O ATOM 840 CB TYR A 53 5.907 0.101 -1.822 1.00 0.00 C ATOM 841 CG TYR A 53 7.049 -0.290 -0.910 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.020 0.017 0.444 1.00 0.00 C ATOM 843 CD2 TYR A 53 8.155 -0.966 -1.406 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.063 -0.338 1.278 1.00 0.00 C ATOM 845 CE2 TYR A 53 9.202 -1.325 -0.579 1.00 0.00 C ATOM 846 CZ TYR A 53 9.150 -1.009 0.762 1.00 0.00 C ATOM 847 OH TYR A 53 10.190 -1.366 1.589 1.00 0.00 O ATOM 0 H TYR A 53 4.360 0.981 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 53 5.765 2.214 -1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.966 -0.048 -1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.898 -0.567 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.169 0.542 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.198 -1.216 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.026 -0.091 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.056 -1.850 -0.981 1.00 0.00 H new ATOM 0 HH TYR A 53 10.876 -1.833 1.068 1.00 0.00 H new ATOM 857 N GLU A 54 7.602 1.543 -4.117 1.00 0.00 N ATOM 858 CA GLU A 54 8.888 1.805 -4.755 1.00 0.00 C ATOM 859 C GLU A 54 9.028 3.282 -5.113 1.00 0.00 C ATOM 860 O GLU A 54 10.012 3.930 -4.756 1.00 0.00 O ATOM 861 CB GLU A 54 9.040 0.950 -6.013 1.00 0.00 C ATOM 862 CG GLU A 54 10.457 0.449 -6.240 1.00 0.00 C ATOM 863 CD GLU A 54 10.538 -0.591 -7.340 1.00 0.00 C ATOM 864 OE1 GLU A 54 10.001 -0.337 -8.439 1.00 0.00 O ATOM 865 OE2 GLU A 54 11.139 -1.661 -7.103 1.00 0.00 O ATOM 0 H GLU A 54 6.914 1.097 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 54 9.675 1.544 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.368 0.095 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.727 1.533 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.100 1.292 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.841 0.023 -5.313 1.00 0.00 H new ATOM 872 N LYS A 55 8.038 3.806 -5.833 1.00 0.00 N ATOM 873 CA LYS A 55 8.045 5.204 -6.255 1.00 0.00 C ATOM 874 C LYS A 55 8.077 6.147 -5.058 1.00 0.00 C ATOM 875 O LYS A 55 8.721 7.195 -5.100 1.00 0.00 O ATOM 876 CB LYS A 55 6.818 5.504 -7.118 1.00 0.00 C ATOM 877 CG LYS A 55 6.912 4.941 -8.526 1.00 0.00 C ATOM 878 CD LYS A 55 5.600 5.098 -9.276 1.00 0.00 C ATOM 879 CE LYS A 55 5.660 4.444 -10.646 1.00 0.00 C ATOM 880 NZ LYS A 55 4.343 3.880 -11.051 1.00 0.00 N ATOM 0 H LYS A 55 7.218 3.281 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 55 8.949 5.368 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.933 5.095 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.680 6.584 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.707 5.450 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.182 3.886 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.792 4.654 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.368 6.157 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.983 5.178 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.407 3.651 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.427 3.443 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.046 3.161 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.635 4.641 -11.085 1.00 0.00 H new ATOM 894 N LEU A 56 7.372 5.775 -3.994 1.00 0.00 N ATOM 895 CA LEU A 56 7.312 6.591 -2.786 1.00 0.00 C ATOM 896 C LEU A 56 8.704 7.066 -2.369 1.00 0.00 C ATOM 897 O LEU A 56 8.900 8.238 -2.047 1.00 0.00 O ATOM 898 CB LEU A 56 6.658 5.804 -1.647 1.00 0.00 C ATOM 899 CG LEU A 56 5.198 6.166 -1.368 1.00 0.00 C ATOM 900 CD1 LEU A 56 5.093 7.593 -0.851 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.353 5.986 -2.622 1.00 0.00 C ATOM 0 H LEU A 56 6.833 4.911 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 56 6.707 7.471 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.715 4.741 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.236 5.962 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 56 4.817 5.493 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.048 7.834 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.664 7.688 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.492 8.280 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.318 6.248 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.733 6.633 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.403 4.947 -2.948 1.00 0.00 H new ATOM 913 N SER A 57 9.667 6.150 -2.385 1.00 0.00 N ATOM 914 CA SER A 57 11.040 6.479 -2.017 1.00 0.00 C ATOM 915 C SER A 57 11.732 7.241 -3.143 1.00 0.00 C ATOM 916 O SER A 57 12.593 8.085 -2.899 1.00 0.00 O ATOM 917 CB SER A 57 11.822 5.205 -1.689 1.00 0.00 C ATOM 918 OG SER A 57 12.559 5.352 -0.487 1.00 0.00 O ATOM 0 H SER A 57 9.523 5.175 -2.648 1.00 0.00 H new ATOM 0 HA SER A 57 11.013 7.116 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.133 4.366 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.501 4.970 -2.509 1.00 0.00 H new ATOM 0 HG SER A 57 13.048 4.524 -0.300 1.00 0.00 H new ATOM 1417 N SER A 90 8.344 -17.818 5.400 1.00 0.00 N ATOM 1418 CA SER A 90 7.255 -18.753 5.653 1.00 0.00 C ATOM 1419 C SER A 90 5.974 -18.297 4.962 1.00 0.00 C ATOM 1420 O SER A 90 5.911 -17.195 4.418 1.00 0.00 O ATOM 1421 CB SER A 90 7.014 -18.894 7.157 1.00 0.00 C ATOM 1422 OG SER A 90 6.236 -17.817 7.652 1.00 0.00 O ATOM 0 HA SER A 90 7.541 -19.723 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.507 -19.837 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.970 -18.927 7.680 1.00 0.00 H new ATOM 0 HG SER A 90 6.095 -17.931 8.615 1.00 0.00 H new ATOM 1428 N ALA A 91 4.957 -19.152 4.987 1.00 0.00 N ATOM 1429 CA ALA A 91 3.678 -18.835 4.363 1.00 0.00 C ATOM 1430 C ALA A 91 3.022 -17.632 5.031 1.00 0.00 C ATOM 1431 O ALA A 91 2.534 -16.725 4.358 1.00 0.00 O ATOM 1432 CB ALA A 91 2.752 -20.041 4.417 1.00 0.00 C ATOM 0 H ALA A 91 4.994 -20.069 5.432 1.00 0.00 H new ATOM 0 HA ALA A 91 3.865 -18.579 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.801 -19.791 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.210 -20.875 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.581 -20.322 5.456 1.00 0.00 H new ATOM 1438 N GLU A 92 3.015 -17.631 6.360 1.00 0.00 N ATOM 1439 CA GLU A 92 2.418 -16.539 7.120 1.00 0.00 C ATOM 1440 C GLU A 92 3.142 -15.224 6.848 1.00 0.00 C ATOM 1441 O GLU A 92 2.549 -14.148 6.932 1.00 0.00 O ATOM 1442 CB GLU A 92 2.454 -16.854 8.617 1.00 0.00 C ATOM 1443 CG GLU A 92 1.596 -15.921 9.455 1.00 0.00 C ATOM 1444 CD GLU A 92 2.333 -14.658 9.860 1.00 0.00 C ATOM 1445 OE1 GLU A 92 3.543 -14.747 10.157 1.00 0.00 O ATOM 1446 OE2 GLU A 92 1.700 -13.582 9.878 1.00 0.00 O ATOM 0 H GLU A 92 3.416 -18.374 6.933 1.00 0.00 H new ATOM 0 HA GLU A 92 1.381 -16.433 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.119 -17.880 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.485 -16.799 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.702 -15.651 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.263 -16.446 10.350 1.00 0.00 H new ATOM 1453 N PHE A 93 4.429 -15.316 6.523 1.00 0.00 N ATOM 1454 CA PHE A 93 5.236 -14.134 6.237 1.00 0.00 C ATOM 1455 C PHE A 93 4.608 -13.297 5.127 1.00 0.00 C ATOM 1456 O PHE A 93 4.655 -12.067 5.159 1.00 0.00 O ATOM 1457 CB PHE A 93 6.654 -14.544 5.841 1.00 0.00 C ATOM 1458 CG PHE A 93 7.600 -13.385 5.707 1.00 0.00 C ATOM 1459 CD1 PHE A 93 7.497 -12.509 4.638 1.00 0.00 C ATOM 1460 CD2 PHE A 93 8.592 -13.170 6.650 1.00 0.00 C ATOM 1461 CE1 PHE A 93 8.364 -11.442 4.512 1.00 0.00 C ATOM 1462 CE2 PHE A 93 9.464 -12.104 6.530 1.00 0.00 C ATOM 1463 CZ PHE A 93 9.350 -11.239 5.459 1.00 0.00 C ATOM 0 H PHE A 93 4.936 -16.198 6.451 1.00 0.00 H new ATOM 0 HA PHE A 93 5.278 -13.528 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.045 -15.237 6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.616 -15.083 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.729 -12.663 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.685 -13.843 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.272 -10.767 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.233 -11.948 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.030 -10.406 5.362 1.00 0.00 H new ATOM 1473 N LEU A 94 4.021 -13.972 4.143 1.00 0.00 N ATOM 1474 CA LEU A 94 3.385 -13.295 3.020 1.00 0.00 C ATOM 1475 C LEU A 94 2.291 -12.343 3.501 1.00 0.00 C ATOM 1476 O LEU A 94 2.021 -11.324 2.865 1.00 0.00 O ATOM 1477 CB LEU A 94 2.793 -14.320 2.048 1.00 0.00 C ATOM 1478 CG LEU A 94 3.595 -14.536 0.763 1.00 0.00 C ATOM 1479 CD1 LEU A 94 3.083 -15.757 0.014 1.00 0.00 C ATOM 1480 CD2 LEU A 94 3.529 -13.299 -0.120 1.00 0.00 C ATOM 0 H LEU A 94 3.973 -14.990 4.102 1.00 0.00 H new ATOM 0 HA LEU A 94 4.147 -12.711 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.700 -15.275 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.785 -14.003 1.780 1.00 0.00 H new ATOM 0 HG LEU A 94 4.637 -14.711 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.665 -15.895 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.183 -16.640 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.034 -15.612 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.105 -13.470 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.491 -13.093 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.944 -12.446 0.417 1.00 0.00 H new ATOM 1492 N GLU A 95 1.666 -12.683 4.623 1.00 0.00 N ATOM 1493 CA GLU A 95 0.599 -11.861 5.185 1.00 0.00 C ATOM 1494 C GLU A 95 1.167 -10.646 5.913 1.00 0.00 C ATOM 1495 O GLU A 95 0.555 -9.577 5.926 1.00 0.00 O ATOM 1496 CB GLU A 95 -0.259 -12.688 6.143 1.00 0.00 C ATOM 1497 CG GLU A 95 -1.432 -11.919 6.728 1.00 0.00 C ATOM 1498 CD GLU A 95 -1.109 -11.296 8.071 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -1.060 -12.038 9.074 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -0.905 -10.064 8.120 1.00 0.00 O ATOM 0 H GLU A 95 1.880 -13.522 5.162 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.022 -11.508 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.637 -13.564 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.368 -13.052 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.732 -11.136 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.283 -12.591 6.839 1.00 0.00 H new ATOM 1507 N LYS A 96 2.337 -10.816 6.520 1.00 0.00 N ATOM 1508 CA LYS A 96 2.985 -9.733 7.254 1.00 0.00 C ATOM 1509 C LYS A 96 3.203 -8.517 6.356 1.00 0.00 C ATOM 1510 O LYS A 96 3.027 -7.377 6.785 1.00 0.00 O ATOM 1511 CB LYS A 96 4.323 -10.210 7.826 1.00 0.00 C ATOM 1512 CG LYS A 96 4.337 -10.301 9.344 1.00 0.00 C ATOM 1513 CD LYS A 96 4.505 -8.933 9.986 1.00 0.00 C ATOM 1514 CE LYS A 96 5.804 -8.270 9.558 1.00 0.00 C ATOM 1515 NZ LYS A 96 6.961 -9.203 9.648 1.00 0.00 N ATOM 0 H LYS A 96 2.857 -11.694 6.519 1.00 0.00 H new ATOM 0 HA LYS A 96 2.330 -9.439 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.559 -11.189 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.110 -9.529 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.408 -10.754 9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.149 -10.955 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.664 -8.296 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.488 -9.035 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.707 -7.910 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.991 -7.399 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.848 -8.666 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.940 -9.695 10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.905 -9.901 8.879 1.00 0.00 H new ATOM 1529 N ARG A 97 3.589 -8.771 5.111 1.00 0.00 N ATOM 1530 CA ARG A 97 3.833 -7.700 4.150 1.00 0.00 C ATOM 1531 C ARG A 97 2.532 -7.006 3.760 1.00 0.00 C ATOM 1532 O ARG A 97 2.519 -5.810 3.467 1.00 0.00 O ATOM 1533 CB ARG A 97 4.523 -8.254 2.902 1.00 0.00 C ATOM 1534 CG ARG A 97 5.486 -7.273 2.255 1.00 0.00 C ATOM 1535 CD ARG A 97 4.798 -6.436 1.189 1.00 0.00 C ATOM 1536 NE ARG A 97 4.421 -5.116 1.688 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.270 -4.099 1.808 1.00 0.00 C ATOM 1538 NH1 ARG A 97 6.545 -4.245 1.471 1.00 0.00 N ATOM 1539 NH2 ARG A 97 4.844 -2.930 2.269 1.00 0.00 N ATOM 0 H ARG A 97 3.740 -9.710 4.742 1.00 0.00 H new ATOM 0 HA ARG A 97 4.485 -6.966 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.066 -9.161 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.764 -8.540 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.906 -6.618 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.318 -7.819 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.462 -6.323 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.908 -6.958 0.837 1.00 0.00 H new ATOM 0 HE ARG A 97 3.450 -4.965 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.880 -5.141 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.191 -3.461 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.866 -2.811 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.495 -2.150 2.361 1.00 0.00 H new ATOM 1553 N ARG A 98 1.440 -7.763 3.756 1.00 0.00 N ATOM 1554 CA ARG A 98 0.135 -7.221 3.399 1.00 0.00 C ATOM 1555 C ARG A 98 -0.300 -6.155 4.398 1.00 0.00 C ATOM 1556 O ARG A 98 -0.682 -5.048 4.019 1.00 0.00 O ATOM 1557 CB ARG A 98 -0.906 -8.341 3.343 1.00 0.00 C ATOM 1558 CG ARG A 98 -0.585 -9.415 2.316 1.00 0.00 C ATOM 1559 CD ARG A 98 -0.521 -8.837 0.912 1.00 0.00 C ATOM 1560 NE ARG A 98 -0.192 -9.853 -0.086 1.00 0.00 N ATOM 1561 CZ ARG A 98 1.037 -10.326 -0.282 1.00 0.00 C ATOM 1562 NH1 ARG A 98 2.052 -9.884 0.450 1.00 0.00 N ATOM 1563 NH2 ARG A 98 1.251 -11.245 -1.214 1.00 0.00 N ATOM 0 H ARG A 98 1.433 -8.754 3.996 1.00 0.00 H new ATOM 0 HA ARG A 98 0.215 -6.760 2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.985 -8.802 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.880 -7.910 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.368 -9.883 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.344 -10.197 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.480 -8.382 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.226 -8.043 0.881 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.947 -10.221 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.893 -9.177 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.991 -10.251 0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.475 -11.588 -1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.192 -11.608 -1.365 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.236 -6.501 5.678 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.617 -5.586 6.748 1.00 0.00 C ATOM 1579 C ALA A 99 0.082 -4.236 6.600 1.00 0.00 C ATOM 1580 O ALA A 99 -0.568 -3.192 6.537 1.00 0.00 O ATOM 1581 CB ALA A 99 -0.292 -6.210 8.096 1.00 0.00 C ATOM 0 H ALA A 99 0.079 -7.416 6.002 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.691 -5.409 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.578 -5.524 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.843 -7.144 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.778 -6.410 8.156 1.00 0.00 H new ATOM 1587 N ALA A 100 1.410 -4.266 6.544 1.00 0.00 N ATOM 1588 CA ALA A 100 2.199 -3.047 6.402 1.00 0.00 C ATOM 1589 C ALA A 100 1.820 -2.284 5.142 1.00 0.00 C ATOM 1590 O ALA A 100 1.927 -1.059 5.095 1.00 0.00 O ATOM 1591 CB ALA A 100 3.683 -3.359 6.387 1.00 0.00 C ATOM 0 H ALA A 100 1.963 -5.122 6.595 1.00 0.00 H new ATOM 0 HA ALA A 100 1.979 -2.419 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.248 -2.433 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.961 -3.849 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.907 -4.020 5.550 1.00 0.00 H new ATOM 1597 N LEU A 101 1.395 -3.011 4.114 1.00 0.00 N ATOM 1598 CA LEU A 101 1.026 -2.384 2.854 1.00 0.00 C ATOM 1599 C LEU A 101 -0.098 -1.380 3.073 1.00 0.00 C ATOM 1600 O LEU A 101 -0.109 -0.308 2.469 1.00 0.00 O ATOM 1601 CB LEU A 101 0.598 -3.440 1.833 1.00 0.00 C ATOM 1602 CG LEU A 101 0.638 -2.982 0.372 1.00 0.00 C ATOM 1603 CD1 LEU A 101 1.971 -3.347 -0.266 1.00 0.00 C ATOM 1604 CD2 LEU A 101 -0.519 -3.591 -0.409 1.00 0.00 C ATOM 0 H LEU A 101 1.299 -4.026 4.129 1.00 0.00 H new ATOM 0 HA LEU A 101 1.897 -1.858 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.243 -4.312 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.416 -3.762 2.069 1.00 0.00 H new ATOM 0 HG LEU A 101 0.534 -1.897 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.981 -3.014 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.780 -2.861 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.107 -4.428 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.475 -3.255 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.448 -4.678 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.463 -3.276 0.035 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.028 -1.719 3.958 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.134 -0.824 4.270 1.00 0.00 C ATOM 1618 C GLU A 102 -1.640 0.353 5.098 1.00 0.00 C ATOM 1619 O GLU A 102 -2.097 1.482 4.924 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.241 -1.564 5.021 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.414 -0.672 5.397 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.917 -0.933 6.803 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -4.779 -2.080 7.279 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.450 0.008 7.428 1.00 0.00 O ATOM 0 H GLU A 102 -1.038 -2.602 4.469 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.545 -0.453 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.602 -2.386 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.824 -2.005 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.114 0.372 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.227 -0.830 4.689 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.697 0.082 5.999 1.00 0.00 N ATOM 1632 CA ARG A 103 -0.145 1.129 6.847 1.00 0.00 C ATOM 1633 C ARG A 103 0.457 2.231 5.988 1.00 0.00 C ATOM 1634 O ARG A 103 0.171 3.412 6.187 1.00 0.00 O ATOM 1635 CB ARG A 103 0.920 0.549 7.778 1.00 0.00 C ATOM 1636 CG ARG A 103 0.409 -0.579 8.662 1.00 0.00 C ATOM 1637 CD ARG A 103 1.370 -0.872 9.805 1.00 0.00 C ATOM 1638 NE ARG A 103 0.904 -0.313 11.072 1.00 0.00 N ATOM 1639 CZ ARG A 103 1.266 0.880 11.540 1.00 0.00 C ATOM 1640 NH1 ARG A 103 2.104 1.650 10.856 1.00 0.00 N ATOM 1641 NH2 ARG A 103 0.787 1.308 12.700 1.00 0.00 N ATOM 0 H ARG A 103 -0.304 -0.846 6.158 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.948 1.550 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.753 0.181 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.311 1.346 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.568 -0.312 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.271 -1.478 8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.492 -1.950 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.351 -0.461 9.567 1.00 0.00 H new ATOM 0 HE ARG A 103 0.261 -0.872 11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.477 1.329 9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.374 2.562 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.142 0.724 13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.063 2.222 13.060 1.00 0.00 H new ATOM 1655 N TYR A 104 1.271 1.839 5.012 1.00 0.00 N ATOM 1656 CA TYR A 104 1.879 2.805 4.109 1.00 0.00 C ATOM 1657 C TYR A 104 0.822 3.381 3.166 1.00 0.00 C ATOM 1658 O TYR A 104 0.888 4.549 2.781 1.00 0.00 O ATOM 1659 CB TYR A 104 3.047 2.171 3.333 1.00 0.00 C ATOM 1660 CG TYR A 104 2.743 1.813 1.892 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.633 2.797 0.915 1.00 0.00 C ATOM 1662 CD2 TYR A 104 2.573 0.491 1.511 1.00 0.00 C ATOM 1663 CE1 TYR A 104 2.360 2.467 -0.398 1.00 0.00 C ATOM 1664 CE2 TYR A 104 2.300 0.154 0.200 1.00 0.00 C ATOM 1665 CZ TYR A 104 2.193 1.145 -0.749 1.00 0.00 C ATOM 1666 OH TYR A 104 1.920 0.813 -2.055 1.00 0.00 O ATOM 0 H TYR A 104 1.522 0.867 4.829 1.00 0.00 H new ATOM 0 HA TYR A 104 2.290 3.626 4.697 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.891 2.861 3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.363 1.269 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 104 2.763 3.834 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.656 -0.289 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.278 3.241 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 104 2.171 -0.881 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 104 1.008 0.461 -2.119 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.159 2.551 2.802 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.234 2.977 1.911 1.00 0.00 C ATOM 1678 C LEU A 105 -2.064 4.081 2.553 1.00 0.00 C ATOM 1679 O LEU A 105 -2.446 5.049 1.896 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.140 1.786 1.575 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.143 1.987 0.430 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.514 2.337 0.989 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.673 3.057 -0.549 1.00 0.00 C ATOM 0 H LEU A 105 -0.228 1.582 3.112 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.785 3.364 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.506 0.935 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.697 1.518 2.473 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.214 1.049 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.217 2.477 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.863 1.528 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.446 3.257 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.409 3.170 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.557 4.005 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.716 2.761 -0.979 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.348 3.923 3.842 1.00 0.00 N ATOM 1696 CA GLN A 106 -3.144 4.898 4.575 1.00 0.00 C ATOM 1697 C GLN A 106 -2.557 6.302 4.471 1.00 0.00 C ATOM 1698 O GLN A 106 -3.293 7.275 4.328 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.258 4.507 6.042 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.358 3.497 6.324 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.435 3.115 7.789 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -3.789 2.164 8.229 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -5.227 3.857 8.554 1.00 0.00 N ATOM 0 H GLN A 106 -2.038 3.128 4.400 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.135 4.905 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.305 4.094 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.440 5.404 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.316 3.911 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.186 2.601 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.744 4.636 8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.318 3.648 9.548 1.00 0.00 H new ATOM 1712 N ARG A 107 -1.236 6.409 4.556 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.576 7.709 4.481 1.00 0.00 C ATOM 1714 C ARG A 107 -0.795 8.362 3.122 1.00 0.00 C ATOM 1715 O ARG A 107 -1.187 9.526 3.041 1.00 0.00 O ATOM 1716 CB ARG A 107 0.916 7.563 4.752 1.00 0.00 C ATOM 1717 CG ARG A 107 1.608 8.875 5.087 1.00 0.00 C ATOM 1718 CD ARG A 107 0.977 9.550 6.295 1.00 0.00 C ATOM 1719 NE ARG A 107 0.315 10.802 5.938 1.00 0.00 N ATOM 1720 CZ ARG A 107 0.965 11.909 5.586 1.00 0.00 C ATOM 1721 NH1 ARG A 107 2.292 11.925 5.548 1.00 0.00 N ATOM 1722 NH2 ARG A 107 0.286 13.003 5.272 1.00 0.00 N ATOM 0 H ARG A 107 -0.604 5.618 4.676 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.017 8.351 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.060 6.866 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.394 7.124 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.664 8.690 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.556 9.544 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.253 8.874 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.745 9.746 7.043 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.704 10.830 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.819 11.086 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.784 12.776 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.734 12.996 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.783 13.852 5.002 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.549 7.613 2.050 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.739 8.153 0.709 1.00 0.00 C ATOM 1738 C ILE A 108 -2.205 8.487 0.481 1.00 0.00 C ATOM 1739 O ILE A 108 -2.534 9.580 0.027 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.251 7.198 -0.405 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.592 5.738 -0.081 1.00 0.00 C ATOM 1742 CG2 ILE A 108 1.245 7.373 -0.628 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.301 4.737 -0.784 1.00 0.00 C ATOM 0 H ILE A 108 -0.223 6.647 2.082 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.130 9.055 0.651 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.773 7.455 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.517 5.586 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.628 5.545 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.577 6.695 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.451 8.402 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.779 7.147 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.002 3.726 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.208 4.861 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.337 4.903 -0.488 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.088 7.558 0.829 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.516 7.793 0.681 1.00 0.00 C ATOM 1757 C VAL A 109 -4.955 8.910 1.624 1.00 0.00 C ATOM 1758 O VAL A 109 -5.892 9.655 1.335 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.344 6.520 0.968 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -4.935 5.386 0.041 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.196 6.096 2.419 1.00 0.00 C ATOM 0 H VAL A 109 -2.842 6.645 1.211 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.697 8.083 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.392 6.754 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.532 4.501 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.100 5.685 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.879 5.158 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.787 5.198 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.147 5.888 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.547 6.897 3.070 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.260 9.016 2.756 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.557 10.033 3.758 1.00 0.00 C ATOM 1773 C ASN A 110 -4.378 11.448 3.199 1.00 0.00 C ATOM 1774 O ASN A 110 -5.309 12.254 3.226 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.658 9.834 4.989 1.00 0.00 C ATOM 1776 CG ASN A 110 -3.672 11.023 5.933 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -2.627 11.591 6.251 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -4.860 11.406 6.384 1.00 0.00 N ATOM 0 H ASN A 110 -3.482 8.404 3.001 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.602 9.921 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -3.983 8.945 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.635 9.651 4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.932 12.200 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.701 10.906 6.094 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.176 11.753 2.713 1.00 0.00 N ATOM 1786 CA HIS A 111 -2.886 13.079 2.174 1.00 0.00 C ATOM 1787 C HIS A 111 -2.876 13.075 0.648 1.00 0.00 C ATOM 1788 O HIS A 111 -2.118 12.325 0.035 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.541 13.583 2.704 1.00 0.00 C ATOM 1790 CG HIS A 111 -1.670 14.709 3.683 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -2.360 14.597 4.871 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -1.194 15.977 3.645 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -2.303 15.747 5.520 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -1.600 16.600 4.798 1.00 0.00 N ATOM 0 H HIS A 111 -2.391 11.103 2.682 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.679 13.751 2.503 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.014 12.756 3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.928 13.910 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.604 16.416 2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.755 15.954 6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.393 17.565 5.055 1.00 0.00 H new ATOM 1803 N PRO A 112 -3.704 13.923 0.011 1.00 0.00 N ATOM 1804 CA PRO A 112 -3.764 14.011 -1.452 1.00 0.00 C ATOM 1805 C PRO A 112 -2.453 14.509 -2.050 1.00 0.00 C ATOM 1806 O PRO A 112 -2.113 14.181 -3.187 1.00 0.00 O ATOM 1807 CB PRO A 112 -4.885 15.024 -1.710 1.00 0.00 C ATOM 1808 CG PRO A 112 -4.983 15.816 -0.453 1.00 0.00 C ATOM 1809 CD PRO A 112 -4.630 14.869 0.659 1.00 0.00 C ATOM 0 HA PRO A 112 -3.942 13.038 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.652 15.663 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.826 14.523 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.301 16.666 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.988 16.216 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.158 15.386 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.512 14.364 1.053 1.00 0.00 H new ATOM 1817 N THR A 113 -1.721 15.306 -1.276 1.00 0.00 N ATOM 1818 CA THR A 113 -0.448 15.855 -1.725 1.00 0.00 C ATOM 1819 C THR A 113 0.673 14.825 -1.611 1.00 0.00 C ATOM 1820 O THR A 113 1.600 14.812 -2.421 1.00 0.00 O ATOM 1821 CB THR A 113 -0.093 17.102 -0.913 1.00 0.00 C ATOM 1822 OG1 THR A 113 -1.176 18.014 -0.898 1.00 0.00 O ATOM 1823 CG2 THR A 113 1.118 17.837 -1.443 1.00 0.00 C ATOM 0 H THR A 113 -1.990 15.586 -0.333 1.00 0.00 H new ATOM 0 HA THR A 113 -0.555 16.127 -2.775 1.00 0.00 H new ATOM 0 HB THR A 113 0.133 16.739 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.931 18.804 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.314 18.711 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.984 17.175 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.930 18.156 -2.468 1.00 0.00 H new ATOM 1831 N MET A 114 0.587 13.965 -0.599 1.00 0.00 N ATOM 1832 CA MET A 114 1.600 12.936 -0.382 1.00 0.00 C ATOM 1833 C MET A 114 1.774 12.068 -1.626 1.00 0.00 C ATOM 1834 O MET A 114 2.875 11.953 -2.164 1.00 0.00 O ATOM 1835 CB MET A 114 1.224 12.062 0.816 1.00 0.00 C ATOM 1836 CG MET A 114 2.405 11.712 1.707 1.00 0.00 C ATOM 1837 SD MET A 114 3.339 10.294 1.098 1.00 0.00 S ATOM 1838 CE MET A 114 2.433 8.946 1.853 1.00 0.00 C ATOM 0 H MET A 114 -0.172 13.960 0.082 1.00 0.00 H new ATOM 0 HA MET A 114 2.547 13.435 -0.175 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.471 12.579 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.767 11.141 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 114 3.068 12.574 1.780 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.045 11.500 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.483 8.068 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.872 8.710 2.822 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.392 9.238 1.988 1.00 0.00 H new ATOM 1848 N LEU A 115 0.680 11.464 -2.079 1.00 0.00 N ATOM 1849 CA LEU A 115 0.710 10.609 -3.265 1.00 0.00 C ATOM 1850 C LEU A 115 1.436 11.305 -4.416 1.00 0.00 C ATOM 1851 O LEU A 115 2.368 10.753 -5.000 1.00 0.00 O ATOM 1852 CB LEU A 115 -0.713 10.238 -3.692 1.00 0.00 C ATOM 1853 CG LEU A 115 -1.676 9.929 -2.541 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -2.595 11.113 -2.280 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -2.490 8.677 -2.840 1.00 0.00 C ATOM 0 H LEU A 115 -0.239 11.549 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 115 1.252 9.698 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.125 11.058 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.664 9.369 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.086 9.746 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.272 10.874 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.998 11.986 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.175 11.328 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.167 8.476 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.068 8.828 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.818 7.829 -2.973 1.00 0.00 H new ATOM 1867 N GLN A 116 1.010 12.529 -4.721 1.00 0.00 N ATOM 1868 CA GLN A 116 1.623 13.320 -5.785 1.00 0.00 C ATOM 1869 C GLN A 116 1.383 12.704 -7.163 1.00 0.00 C ATOM 1870 O GLN A 116 0.665 13.270 -7.987 1.00 0.00 O ATOM 1871 CB GLN A 116 3.125 13.471 -5.541 1.00 0.00 C ATOM 1872 CG GLN A 116 3.675 14.828 -5.949 1.00 0.00 C ATOM 1873 CD GLN A 116 5.114 14.757 -6.420 1.00 0.00 C ATOM 1874 OE1 GLN A 116 6.046 14.796 -5.615 1.00 0.00 O ATOM 1875 NE2 GLN A 116 5.303 14.652 -7.730 1.00 0.00 N ATOM 0 H GLN A 116 0.239 12.996 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 116 1.152 14.303 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.331 13.308 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.654 12.693 -6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.056 15.242 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.607 15.513 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.502 14.623 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.250 14.600 -8.106 1.00 0.00 H new ATOM 1884 N ASP A 117 1.998 11.552 -7.412 1.00 0.00 N ATOM 1885 CA ASP A 117 1.859 10.876 -8.698 1.00 0.00 C ATOM 1886 C ASP A 117 0.392 10.594 -9.018 1.00 0.00 C ATOM 1887 O ASP A 117 -0.327 10.009 -8.207 1.00 0.00 O ATOM 1888 CB ASP A 117 2.654 9.569 -8.701 1.00 0.00 C ATOM 1889 CG ASP A 117 3.443 9.375 -9.981 1.00 0.00 C ATOM 1890 OD1 ASP A 117 2.822 9.066 -11.019 1.00 0.00 O ATOM 1891 OD2 ASP A 117 4.681 9.535 -9.945 1.00 0.00 O ATOM 0 H ASP A 117 2.596 11.068 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 117 2.256 11.538 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.337 9.561 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.970 8.731 -8.568 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.077 11.008 -10.211 1.00 0.00 N ATOM 1897 CA PRO A 118 -1.465 10.795 -10.630 1.00 0.00 C ATOM 1898 C PRO A 118 -1.891 9.337 -10.501 1.00 0.00 C ATOM 1899 O PRO A 118 -3.069 9.041 -10.299 1.00 0.00 O ATOM 1900 CB PRO A 118 -1.466 11.220 -12.100 1.00 0.00 C ATOM 1901 CG PRO A 118 -0.338 12.183 -12.215 1.00 0.00 C ATOM 1902 CD PRO A 118 0.708 11.714 -11.242 1.00 0.00 C ATOM 0 HA PRO A 118 -2.165 11.355 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.325 10.364 -12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.413 11.684 -12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.056 12.203 -13.231 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -0.664 13.196 -11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.432 11.053 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.267 12.549 -10.820 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.926 8.429 -10.614 1.00 0.00 N ATOM 1911 CA ASP A 119 -1.210 7.004 -10.506 1.00 0.00 C ATOM 1912 C ASP A 119 -1.444 6.611 -9.060 1.00 0.00 C ATOM 1913 O ASP A 119 -2.370 5.863 -8.753 1.00 0.00 O ATOM 1914 CB ASP A 119 -0.061 6.178 -11.069 1.00 0.00 C ATOM 1915 CG ASP A 119 0.468 6.724 -12.381 1.00 0.00 C ATOM 1916 OD1 ASP A 119 -0.275 7.469 -13.055 1.00 0.00 O ATOM 1917 OD2 ASP A 119 1.623 6.407 -12.735 1.00 0.00 O ATOM 0 H ASP A 119 0.055 8.654 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.112 6.804 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.749 6.147 -10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.396 5.151 -11.217 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.597 7.118 -8.173 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.718 6.812 -6.758 1.00 0.00 C ATOM 1924 C VAL A 120 -2.071 7.257 -6.238 1.00 0.00 C ATOM 1925 O VAL A 120 -2.744 6.527 -5.510 1.00 0.00 O ATOM 1926 CB VAL A 120 0.380 7.488 -5.928 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.356 6.946 -4.509 1.00 0.00 C ATOM 1928 CG2 VAL A 120 1.743 7.285 -6.573 1.00 0.00 C ATOM 0 H VAL A 120 0.177 7.740 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.612 5.732 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 120 0.191 8.561 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.137 7.428 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.615 7.150 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.528 5.870 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.508 7.772 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.959 6.219 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.740 7.718 -7.573 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.475 8.453 -6.640 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.761 8.994 -6.242 1.00 0.00 C ATOM 1940 C ARG A 121 -4.874 8.041 -6.656 1.00 0.00 C ATOM 1941 O ARG A 121 -5.918 7.969 -6.006 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.980 10.372 -6.873 1.00 0.00 C ATOM 1943 CG ARG A 121 -5.343 10.972 -6.566 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.501 12.352 -7.186 1.00 0.00 C ATOM 1945 NE ARG A 121 -5.481 13.410 -6.179 1.00 0.00 N ATOM 1946 CZ ARG A 121 -6.447 13.600 -5.283 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -7.511 12.807 -5.266 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -6.350 14.588 -4.404 1.00 0.00 N ATOM 0 H ARG A 121 -1.927 9.067 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.775 9.106 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.205 11.052 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.863 10.290 -7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.125 10.312 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.476 11.040 -5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.699 12.520 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.439 12.396 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.679 14.041 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.592 12.047 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.248 12.957 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.536 15.202 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.090 14.734 -3.717 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.646 7.309 -7.748 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.636 6.364 -8.245 1.00 0.00 C ATOM 1964 C GLU A 122 -5.162 4.918 -8.101 1.00 0.00 C ATOM 1965 O GLU A 122 -5.758 4.008 -8.677 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.957 6.664 -9.711 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.668 7.992 -9.917 1.00 0.00 C ATOM 1968 CD GLU A 122 -6.547 8.505 -11.339 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -6.711 7.698 -12.277 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -6.290 9.716 -11.513 1.00 0.00 O ATOM 0 H GLU A 122 -3.789 7.355 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.537 6.481 -7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.030 6.664 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.579 5.862 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.722 7.878 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.254 8.732 -9.232 1.00 0.00 H new ATOM 1977 N PHE A 123 -4.093 4.701 -7.335 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.571 3.353 -7.139 1.00 0.00 C ATOM 1979 C PHE A 123 -4.354 2.617 -6.057 1.00 0.00 C ATOM 1980 O PHE A 123 -4.588 1.412 -6.156 1.00 0.00 O ATOM 1981 CB PHE A 123 -2.088 3.402 -6.778 1.00 0.00 C ATOM 1982 CG PHE A 123 -1.247 2.476 -7.604 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.300 1.109 -7.401 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -0.407 2.973 -8.588 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -0.532 0.251 -8.164 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.365 2.122 -9.353 1.00 0.00 C ATOM 1987 CZ PHE A 123 0.303 0.758 -9.142 1.00 0.00 C ATOM 0 H PHE A 123 -3.578 5.433 -6.846 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.686 2.807 -8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.724 4.422 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.969 3.148 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.949 0.708 -6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -0.356 4.038 -8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.584 -0.815 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.017 2.522 -10.116 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.905 0.090 -9.740 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.756 3.352 -5.027 1.00 0.00 N ATOM 1998 CA LEU A 124 -5.517 2.773 -3.921 1.00 0.00 C ATOM 1999 C LEU A 124 -6.768 2.055 -4.423 1.00 0.00 C ATOM 2000 O LEU A 124 -7.303 1.177 -3.744 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.909 3.853 -2.904 1.00 0.00 C ATOM 2002 CG LEU A 124 -6.136 5.257 -3.475 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -7.072 5.206 -4.671 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -6.690 6.182 -2.401 1.00 0.00 C ATOM 0 H LEU A 124 -4.569 4.350 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.874 2.042 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.821 3.535 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.128 3.912 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.177 5.651 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.219 6.213 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.637 4.577 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.032 4.792 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.846 7.175 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.639 5.789 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.982 6.245 -1.575 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.233 2.427 -5.614 1.00 0.00 N ATOM 2017 CA GLU A 125 -8.422 1.812 -6.198 1.00 0.00 C ATOM 2018 C GLU A 125 -8.088 1.057 -7.485 1.00 0.00 C ATOM 2019 O GLU A 125 -8.973 0.494 -8.130 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.481 2.877 -6.483 1.00 0.00 C ATOM 2021 CG GLU A 125 -9.059 3.886 -7.539 1.00 0.00 C ATOM 2022 CD GLU A 125 -10.154 4.166 -8.550 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -11.203 4.715 -8.152 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -9.961 3.837 -9.739 1.00 0.00 O ATOM 0 H GLU A 125 -6.805 3.150 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.813 1.095 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.399 2.387 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.711 3.406 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.773 4.818 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.176 3.514 -8.059 1.00 0.00 H new ATOM 2031 N LYS A 126 -6.810 1.050 -7.858 1.00 0.00 N ATOM 2032 CA LYS A 126 -6.366 0.366 -9.069 1.00 0.00 C ATOM 2033 C LYS A 126 -6.823 -1.091 -9.080 1.00 0.00 C ATOM 2034 O LYS A 126 -6.457 -1.874 -8.204 1.00 0.00 O ATOM 2035 CB LYS A 126 -4.842 0.436 -9.185 1.00 0.00 C ATOM 2036 CG LYS A 126 -4.284 -0.315 -10.383 1.00 0.00 C ATOM 2037 CD LYS A 126 -3.098 0.413 -10.994 1.00 0.00 C ATOM 2038 CE LYS A 126 -2.669 -0.225 -12.306 1.00 0.00 C ATOM 2039 NZ LYS A 126 -3.686 -0.028 -13.379 1.00 0.00 N ATOM 0 H LYS A 126 -6.063 1.511 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.816 0.870 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.539 1.481 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.398 0.031 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.979 -1.316 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.065 -0.435 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.359 1.457 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.263 0.403 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.718 0.203 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.504 -1.292 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.267 -0.261 -14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.501 -0.649 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.000 0.963 -13.382 1.00 0.00 H new ATOM 2053 N GLU A 127 -7.625 -1.446 -10.080 1.00 0.00 N ATOM 2054 CA GLU A 127 -8.131 -2.808 -10.208 1.00 0.00 C ATOM 2055 C GLU A 127 -7.183 -3.665 -11.040 1.00 0.00 C ATOM 2056 O GLU A 127 -6.442 -4.487 -10.503 1.00 0.00 O ATOM 2057 CB GLU A 127 -9.524 -2.798 -10.844 1.00 0.00 C ATOM 2058 CG GLU A 127 -10.581 -2.125 -9.985 1.00 0.00 C ATOM 2059 CD GLU A 127 -11.895 -2.882 -9.978 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -11.870 -4.113 -9.771 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -12.949 -2.244 -10.180 1.00 0.00 O ATOM 0 H GLU A 127 -7.938 -0.809 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 127 -8.198 -3.241 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -9.471 -2.288 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -9.830 -3.825 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -10.211 -2.037 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.751 -1.113 -10.351 1.00 0.00 H new ATOM 2068 N GLU A 128 -7.213 -3.467 -12.355 1.00 0.00 N ATOM 2069 CA GLU A 128 -6.355 -4.221 -13.263 1.00 0.00 C ATOM 2070 C GLU A 128 -6.584 -3.790 -14.709 1.00 0.00 C ATOM 2071 O GLU A 128 -7.324 -2.807 -14.922 1.00 0.00 O ATOM 2072 CB GLU A 128 -6.616 -5.723 -13.118 1.00 0.00 C ATOM 2073 CG GLU A 128 -5.601 -6.433 -12.237 1.00 0.00 C ATOM 2074 CD GLU A 128 -5.144 -7.755 -12.824 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -5.862 -8.762 -12.649 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -4.068 -7.783 -13.457 1.00 0.00 O ATOM 2077 OXT GLU A 128 -6.021 -4.439 -15.616 1.00 0.00 O ATOM 0 H GLU A 128 -7.822 -2.791 -12.815 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.318 -4.014 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.613 -5.872 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.611 -6.182 -14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.736 -5.786 -12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -6.038 -6.608 -11.254 1.00 0.00 H new