USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 74 LYS NZ :NH3+ -105:sc= 1.19 (180deg=0.0144) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.159! C(o=1!,f=-7.5!) USER MOD Set 2.1: A 36 MET CE :methyl -124:sc= -1.03 (180deg=-1.84!) USER MOD Set 2.2: A 40 ASN : amide:sc= -0.402 K(o=-1.4,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 7 MET CE :methyl -163:sc= -0.0953 (180deg=-0.51) USER MOD Single : A 15 HIS : no HD1:sc= -0.775 X(o=-0.78,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= 0.0782 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.384 K(o=0.38,f=-0.29) USER MOD Single : A 35 GLN :FLIP amide:sc= -4.71! C(o=-5.4!,f=-4.7!) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0254 (180deg=-0.241) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc=-0.00433 (180deg=-0.0831) USER MOD Single : A 57 CYS SG : rot 130:sc= -4.56! USER MOD Single : A 59 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.01) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.151 F(o=-2.1,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0261 (180deg=-0.196) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.7!) USER MOD Single : A 81 SER OG : rot 69:sc= 0.745 USER MOD Single : A 82 SER OG : rot 102:sc= 1.41 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.103 F(o=-0.85,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.527 -25.590 -20.432 1.00 0.00 N ATOM 2 CA GLY A 1 3.395 -25.509 -19.230 1.00 0.00 C ATOM 3 C GLY A 1 2.671 -24.931 -18.033 1.00 0.00 C ATOM 4 O GLY A 1 2.470 -25.614 -17.031 1.00 0.00 O ATOM 0 H1 GLY A 1 3.068 -25.992 -21.224 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.708 -26.198 -20.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.197 -24.637 -20.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.762 -26.505 -18.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.267 -24.895 -19.455 1.00 0.00 H new ATOM 10 N SER A 2 2.263 -23.672 -18.141 1.00 0.00 N ATOM 11 CA SER A 2 1.602 -22.983 -17.043 1.00 0.00 C ATOM 12 C SER A 2 0.113 -23.328 -16.990 1.00 0.00 C ATOM 13 O SER A 2 -0.744 -22.486 -17.258 1.00 0.00 O ATOM 14 CB SER A 2 1.798 -21.471 -17.192 1.00 0.00 C ATOM 15 OG SER A 2 3.177 -21.147 -17.293 1.00 0.00 O ATOM 0 H SER A 2 2.380 -23.107 -18.982 1.00 0.00 H new ATOM 0 HA SER A 2 2.051 -23.313 -16.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.271 -21.117 -18.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.361 -20.957 -16.336 1.00 0.00 H new ATOM 0 HG SER A 2 3.279 -20.177 -17.389 1.00 0.00 H new ATOM 21 N ALA A 3 -0.183 -24.574 -16.634 1.00 0.00 N ATOM 22 CA ALA A 3 -1.559 -25.041 -16.522 1.00 0.00 C ATOM 23 C ALA A 3 -2.227 -24.441 -15.292 1.00 0.00 C ATOM 24 O ALA A 3 -3.332 -23.902 -15.366 1.00 0.00 O ATOM 25 CB ALA A 3 -1.595 -26.561 -16.459 1.00 0.00 C ATOM 0 H ALA A 3 0.518 -25.282 -16.417 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.110 -24.716 -17.405 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.628 -26.897 -16.375 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.151 -26.973 -17.365 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.031 -26.903 -15.591 1.00 0.00 H new ATOM 31 N MET A 4 -1.545 -24.543 -14.162 1.00 0.00 N ATOM 32 CA MET A 4 -2.000 -23.924 -12.925 1.00 0.00 C ATOM 33 C MET A 4 -1.144 -22.704 -12.633 1.00 0.00 C ATOM 34 O MET A 4 -1.256 -22.077 -11.579 1.00 0.00 O ATOM 35 CB MET A 4 -1.903 -24.905 -11.753 1.00 0.00 C ATOM 36 CG MET A 4 -2.723 -26.172 -11.931 1.00 0.00 C ATOM 37 SD MET A 4 -2.549 -27.299 -10.535 1.00 0.00 S ATOM 38 CE MET A 4 -3.549 -28.678 -11.079 1.00 0.00 C ATOM 0 H MET A 4 -0.666 -25.053 -14.075 1.00 0.00 H new ATOM 0 HA MET A 4 -3.043 -23.633 -13.045 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.858 -25.179 -11.609 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.228 -24.400 -10.843 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.773 -25.908 -12.054 1.00 0.00 H new ATOM 0 HG3 MET A 4 -2.412 -26.678 -12.845 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.539 -29.458 -10.317 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.573 -28.343 -11.241 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.145 -29.075 -12.010 1.00 0.00 H new ATOM 48 N GLY A 5 -0.283 -22.381 -13.583 1.00 0.00 N ATOM 49 CA GLY A 5 0.671 -21.314 -13.393 1.00 0.00 C ATOM 50 C GLY A 5 1.984 -21.844 -12.862 1.00 0.00 C ATOM 51 O GLY A 5 2.089 -23.025 -12.522 1.00 0.00 O ATOM 0 H GLY A 5 -0.229 -22.844 -14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.839 -20.800 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.265 -20.579 -12.698 1.00 0.00 H new ATOM 55 N HIS A 6 2.993 -20.994 -12.814 1.00 0.00 N ATOM 56 CA HIS A 6 4.282 -21.378 -12.258 1.00 0.00 C ATOM 57 C HIS A 6 4.915 -20.181 -11.560 1.00 0.00 C ATOM 58 O HIS A 6 5.642 -20.331 -10.580 1.00 0.00 O ATOM 59 CB HIS A 6 5.206 -21.918 -13.355 1.00 0.00 C ATOM 60 CG HIS A 6 6.416 -22.631 -12.826 1.00 0.00 C ATOM 61 ND1 HIS A 6 7.700 -22.365 -13.251 1.00 0.00 N ATOM 62 CD2 HIS A 6 6.525 -23.627 -11.912 1.00 0.00 C ATOM 63 CE1 HIS A 6 8.544 -23.164 -12.621 1.00 0.00 C ATOM 64 NE2 HIS A 6 7.856 -23.937 -11.804 1.00 0.00 N ATOM 0 H HIS A 6 2.947 -20.033 -13.153 1.00 0.00 H new ATOM 0 HA HIS A 6 4.131 -22.173 -11.528 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.641 -22.601 -13.990 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.530 -21.090 -13.986 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.714 -24.090 -11.370 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.616 -23.181 -12.753 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.250 -24.650 -11.191 1.00 0.00 H new ATOM 73 N MET A 7 4.629 -18.995 -12.079 1.00 0.00 N ATOM 74 CA MET A 7 5.040 -17.748 -11.445 1.00 0.00 C ATOM 75 C MET A 7 3.846 -16.797 -11.354 1.00 0.00 C ATOM 76 O MET A 7 3.781 -15.797 -12.072 1.00 0.00 O ATOM 77 CB MET A 7 6.175 -17.080 -12.232 1.00 0.00 C ATOM 78 CG MET A 7 7.458 -17.895 -12.280 1.00 0.00 C ATOM 79 SD MET A 7 8.181 -18.176 -10.649 1.00 0.00 S ATOM 80 CE MET A 7 8.564 -16.499 -10.144 1.00 0.00 C ATOM 0 H MET A 7 4.108 -18.869 -12.947 1.00 0.00 H new ATOM 0 HA MET A 7 5.404 -17.976 -10.443 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.836 -16.895 -13.251 1.00 0.00 H new ATOM 0 HB3 MET A 7 6.390 -16.109 -11.786 1.00 0.00 H new ATOM 0 HG2 MET A 7 7.253 -18.857 -12.750 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.185 -17.381 -12.909 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.273 -16.521 -9.317 1.00 0.00 H new ATOM 0 HE2 MET A 7 9.001 -15.957 -10.983 1.00 0.00 H new ATOM 0 HE3 MET A 7 7.650 -15.997 -9.825 1.00 0.00 H new ATOM 90 N PRO A 8 2.876 -17.104 -10.477 1.00 0.00 N ATOM 91 CA PRO A 8 1.661 -16.310 -10.324 1.00 0.00 C ATOM 92 C PRO A 8 1.901 -15.067 -9.478 1.00 0.00 C ATOM 93 O PRO A 8 1.546 -15.024 -8.300 1.00 0.00 O ATOM 94 CB PRO A 8 0.682 -17.264 -9.613 1.00 0.00 C ATOM 95 CG PRO A 8 1.416 -18.560 -9.444 1.00 0.00 C ATOM 96 CD PRO A 8 2.877 -18.235 -9.549 1.00 0.00 C ATOM 0 HA PRO A 8 1.289 -15.946 -11.282 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.376 -16.860 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.224 -17.403 -10.202 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.187 -19.013 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.121 -19.276 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.305 -17.968 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.455 -19.076 -9.933 1.00 0.00 H new ATOM 104 N ALA A 9 2.500 -14.056 -10.084 1.00 0.00 N ATOM 105 CA ALA A 9 2.822 -12.833 -9.373 1.00 0.00 C ATOM 106 C ALA A 9 1.623 -11.899 -9.353 1.00 0.00 C ATOM 107 O ALA A 9 1.237 -11.337 -10.379 1.00 0.00 O ATOM 108 CB ALA A 9 4.023 -12.150 -10.011 1.00 0.00 C ATOM 0 H ALA A 9 2.773 -14.059 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 9 3.076 -13.086 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.252 -11.234 -9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.883 -12.818 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.795 -11.908 -11.049 1.00 0.00 H new ATOM 114 N VAL A 10 1.035 -11.746 -8.181 1.00 0.00 N ATOM 115 CA VAL A 10 -0.127 -10.894 -8.014 1.00 0.00 C ATOM 116 C VAL A 10 0.291 -9.562 -7.419 1.00 0.00 C ATOM 117 O VAL A 10 0.833 -9.511 -6.319 1.00 0.00 O ATOM 118 CB VAL A 10 -1.175 -11.545 -7.090 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.422 -10.679 -6.990 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.526 -12.943 -7.572 1.00 0.00 C ATOM 0 H VAL A 10 1.346 -12.205 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.572 -10.746 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.741 -11.629 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.147 -11.159 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.156 -9.703 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.858 -10.554 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.267 -13.383 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.934 -12.888 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.629 -13.562 -7.576 1.00 0.00 H new ATOM 130 N ASP A 11 0.052 -8.485 -8.144 1.00 0.00 N ATOM 131 CA ASP A 11 0.378 -7.168 -7.637 1.00 0.00 C ATOM 132 C ASP A 11 -0.894 -6.357 -7.417 1.00 0.00 C ATOM 133 O ASP A 11 -1.702 -6.167 -8.326 1.00 0.00 O ATOM 134 CB ASP A 11 1.365 -6.444 -8.568 1.00 0.00 C ATOM 135 CG ASP A 11 0.750 -5.955 -9.864 1.00 0.00 C ATOM 136 OD1 ASP A 11 0.482 -6.785 -10.762 1.00 0.00 O ATOM 137 OD2 ASP A 11 0.554 -4.733 -9.999 1.00 0.00 O ATOM 0 H ASP A 11 -0.362 -8.496 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 11 0.874 -7.279 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.791 -5.593 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.189 -7.119 -8.801 1.00 0.00 H new ATOM 142 N VAL A 12 -1.079 -5.928 -6.182 1.00 0.00 N ATOM 143 CA VAL A 12 -2.261 -5.181 -5.777 1.00 0.00 C ATOM 144 C VAL A 12 -2.019 -3.681 -5.899 1.00 0.00 C ATOM 145 O VAL A 12 -0.939 -3.205 -5.574 1.00 0.00 O ATOM 146 CB VAL A 12 -2.641 -5.515 -4.320 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.799 -4.655 -3.845 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.976 -6.992 -4.180 1.00 0.00 C ATOM 0 H VAL A 12 -0.412 -6.087 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.078 -5.468 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.780 -5.295 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.045 -4.913 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.517 -3.603 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.667 -4.831 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.242 -7.208 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.816 -7.238 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.110 -7.590 -4.465 1.00 0.00 H new ATOM 158 N GLU A 13 -3.013 -2.942 -6.373 1.00 0.00 N ATOM 159 CA GLU A 13 -2.887 -1.500 -6.479 1.00 0.00 C ATOM 160 C GLU A 13 -3.702 -0.810 -5.388 1.00 0.00 C ATOM 161 O GLU A 13 -4.932 -0.880 -5.368 1.00 0.00 O ATOM 162 CB GLU A 13 -3.307 -1.005 -7.871 1.00 0.00 C ATOM 163 CG GLU A 13 -4.702 -1.435 -8.301 1.00 0.00 C ATOM 164 CD GLU A 13 -5.097 -0.856 -9.645 1.00 0.00 C ATOM 165 OE1 GLU A 13 -4.679 -1.407 -10.682 1.00 0.00 O ATOM 166 OE2 GLU A 13 -5.827 0.155 -9.672 1.00 0.00 O ATOM 0 H GLU A 13 -3.908 -3.316 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.837 -1.242 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.256 0.084 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.587 -1.368 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.745 -2.523 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.424 -1.122 -7.547 1.00 0.00 H new ATOM 173 N ILE A 14 -3.001 -0.167 -4.471 1.00 0.00 N ATOM 174 CA ILE A 14 -3.640 0.595 -3.413 1.00 0.00 C ATOM 175 C ILE A 14 -3.547 2.079 -3.752 1.00 0.00 C ATOM 176 O ILE A 14 -2.634 2.486 -4.464 1.00 0.00 O ATOM 177 CB ILE A 14 -2.981 0.333 -2.034 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.983 -1.170 -1.712 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.705 1.106 -0.939 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.499 -1.504 -0.312 1.00 0.00 C ATOM 0 H ILE A 14 -1.982 -0.158 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.681 0.281 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.948 0.678 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.995 -1.556 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.353 -1.687 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.228 0.909 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.659 2.173 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.747 0.789 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.531 -2.583 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.476 -1.151 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.143 -1.018 0.421 1.00 0.00 H new ATOM 192 N HIS A 15 -4.487 2.880 -3.280 1.00 0.00 N ATOM 193 CA HIS A 15 -4.471 4.307 -3.573 1.00 0.00 C ATOM 194 C HIS A 15 -4.641 5.115 -2.295 1.00 0.00 C ATOM 195 O HIS A 15 -5.361 4.706 -1.393 1.00 0.00 O ATOM 196 CB HIS A 15 -5.580 4.663 -4.566 1.00 0.00 C ATOM 197 CG HIS A 15 -5.532 3.859 -5.826 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.305 2.737 -6.025 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.790 4.005 -6.946 1.00 0.00 C ATOM 200 CE1 HIS A 15 -6.039 2.228 -7.211 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.124 2.978 -7.794 1.00 0.00 N ATOM 0 H HIS A 15 -5.265 2.572 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.507 4.553 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.548 4.515 -4.086 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.507 5.721 -4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.068 4.785 -7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.494 1.345 -7.635 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.730 2.821 -8.722 1.00 0.00 H new ATOM 210 N PHE A 16 -3.944 6.239 -2.214 1.00 0.00 N ATOM 211 CA PHE A 16 -4.082 7.158 -1.090 1.00 0.00 C ATOM 212 C PHE A 16 -4.005 8.599 -1.580 1.00 0.00 C ATOM 213 O PHE A 16 -3.122 8.932 -2.370 1.00 0.00 O ATOM 214 CB PHE A 16 -2.971 6.934 -0.060 1.00 0.00 C ATOM 215 CG PHE A 16 -3.012 5.604 0.636 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.120 5.225 1.374 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.939 4.736 0.555 1.00 0.00 C ATOM 218 CE1 PHE A 16 -4.155 4.007 2.020 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.966 3.516 1.201 1.00 0.00 C ATOM 220 CZ PHE A 16 -3.075 3.151 1.934 1.00 0.00 C ATOM 0 H PHE A 16 -3.271 6.540 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.049 6.970 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.007 7.037 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.027 7.722 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.967 5.891 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.069 5.016 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.026 3.723 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.120 2.849 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.099 2.197 2.440 1.00 0.00 H new ATOM 230 N PRO A 17 -4.935 9.471 -1.146 1.00 0.00 N ATOM 231 CA PRO A 17 -4.876 10.907 -1.454 1.00 0.00 C ATOM 232 C PRO A 17 -3.579 11.539 -0.954 1.00 0.00 C ATOM 233 O PRO A 17 -3.334 11.626 0.250 1.00 0.00 O ATOM 234 CB PRO A 17 -6.078 11.491 -0.694 1.00 0.00 C ATOM 235 CG PRO A 17 -6.448 10.447 0.304 1.00 0.00 C ATOM 236 CD PRO A 17 -6.127 9.140 -0.348 1.00 0.00 C ATOM 0 HA PRO A 17 -4.904 11.098 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.817 12.430 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.907 11.703 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.886 10.572 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.505 10.508 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.922 8.360 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.947 8.784 -0.971 1.00 0.00 H new ATOM 244 N LEU A 18 -2.785 12.000 -1.926 1.00 0.00 N ATOM 245 CA LEU A 18 -1.456 12.592 -1.718 1.00 0.00 C ATOM 246 C LEU A 18 -1.448 13.551 -0.530 1.00 0.00 C ATOM 247 O LEU A 18 -0.604 13.448 0.354 1.00 0.00 O ATOM 248 CB LEU A 18 -1.052 13.336 -3.012 1.00 0.00 C ATOM 249 CG LEU A 18 0.428 13.745 -3.196 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.909 14.712 -2.123 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.325 12.521 -3.258 1.00 0.00 C ATOM 0 H LEU A 18 -3.056 11.971 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.741 11.800 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.329 12.706 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.657 14.241 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 18 0.489 14.274 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.954 14.964 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.306 15.620 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.812 14.245 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.361 12.835 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.231 11.954 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.028 11.894 -4.099 1.00 0.00 H new ATOM 263 N LYS A 19 -2.394 14.478 -0.514 1.00 0.00 N ATOM 264 CA LYS A 19 -2.422 15.524 0.502 1.00 0.00 C ATOM 265 C LYS A 19 -2.931 15.038 1.859 1.00 0.00 C ATOM 266 O LYS A 19 -2.693 15.687 2.875 1.00 0.00 O ATOM 267 CB LYS A 19 -3.240 16.734 0.024 1.00 0.00 C ATOM 268 CG LYS A 19 -4.439 16.406 -0.861 1.00 0.00 C ATOM 269 CD LYS A 19 -5.644 15.916 -0.076 1.00 0.00 C ATOM 270 CE LYS A 19 -6.813 15.662 -1.005 1.00 0.00 C ATOM 271 NZ LYS A 19 -8.082 15.406 -0.277 1.00 0.00 N ATOM 0 H LYS A 19 -3.154 14.529 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.385 15.828 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.594 17.280 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.578 17.405 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.719 17.294 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.151 15.644 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.390 15.000 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.922 16.656 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.943 16.523 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.586 14.807 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.655 14.720 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.870 15.022 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.611 16.296 -0.177 1.00 0.00 H new ATOM 285 N ARG A 20 -3.626 13.912 1.891 1.00 0.00 N ATOM 286 CA ARG A 20 -4.220 13.449 3.142 1.00 0.00 C ATOM 287 C ARG A 20 -3.386 12.346 3.795 1.00 0.00 C ATOM 288 O ARG A 20 -3.287 12.286 5.018 1.00 0.00 O ATOM 289 CB ARG A 20 -5.660 12.989 2.925 1.00 0.00 C ATOM 290 CG ARG A 20 -6.598 13.462 4.028 1.00 0.00 C ATOM 291 CD ARG A 20 -8.043 13.448 3.571 1.00 0.00 C ATOM 292 NE ARG A 20 -8.970 13.821 4.638 1.00 0.00 N ATOM 293 CZ ARG A 20 -10.297 13.768 4.518 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.843 13.340 3.387 1.00 0.00 N ATOM 295 NH2 ARG A 20 -11.073 14.118 5.534 1.00 0.00 N ATOM 0 H ARG A 20 -3.793 13.310 1.085 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.231 14.296 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.016 13.363 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.686 11.901 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.486 12.821 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.322 14.471 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.163 14.135 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.296 12.453 3.206 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.580 14.140 5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.248 13.052 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.858 13.299 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.655 14.429 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.088 14.076 5.439 1.00 0.00 H new ATOM 309 N ILE A 21 -2.774 11.484 2.986 1.00 0.00 N ATOM 310 CA ILE A 21 -1.881 10.453 3.517 1.00 0.00 C ATOM 311 C ILE A 21 -0.610 11.100 4.062 1.00 0.00 C ATOM 312 O ILE A 21 0.042 10.568 4.957 1.00 0.00 O ATOM 313 CB ILE A 21 -1.522 9.391 2.447 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.603 8.305 3.023 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.867 10.040 1.237 1.00 0.00 C ATOM 316 CD1 ILE A 21 -1.186 7.572 4.212 1.00 0.00 C ATOM 0 H ILE A 21 -2.877 11.477 1.971 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.406 9.940 4.323 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.453 8.919 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.376 7.582 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.342 8.762 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.624 9.274 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.553 10.763 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.046 10.548 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.476 6.822 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.387 8.282 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.115 7.084 3.919 1.00 0.00 H new ATOM 328 N ALA A 22 -0.282 12.269 3.525 1.00 0.00 N ATOM 329 CA ALA A 22 0.882 13.021 3.968 1.00 0.00 C ATOM 330 C ALA A 22 0.589 13.762 5.267 1.00 0.00 C ATOM 331 O ALA A 22 1.500 14.266 5.926 1.00 0.00 O ATOM 332 CB ALA A 22 1.305 14.005 2.894 1.00 0.00 C ATOM 0 H ALA A 22 -0.811 12.718 2.777 1.00 0.00 H new ATOM 0 HA ALA A 22 1.694 12.317 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.177 14.563 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.555 13.463 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.487 14.697 2.692 1.00 0.00 H new ATOM 338 N ALA A 23 -0.682 13.817 5.634 1.00 0.00 N ATOM 339 CA ALA A 23 -1.103 14.547 6.817 1.00 0.00 C ATOM 340 C ALA A 23 -0.959 13.690 8.067 1.00 0.00 C ATOM 341 O ALA A 23 -0.682 12.493 7.978 1.00 0.00 O ATOM 342 CB ALA A 23 -2.536 15.035 6.662 1.00 0.00 C ATOM 0 H ALA A 23 -1.441 13.363 5.127 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.453 15.415 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.834 15.580 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.604 15.695 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.198 14.181 6.520 1.00 0.00 H new ATOM 348 N GLU A 24 -1.142 14.301 9.226 1.00 0.00 N ATOM 349 CA GLU A 24 -1.005 13.593 10.491 1.00 0.00 C ATOM 350 C GLU A 24 -2.182 12.653 10.684 1.00 0.00 C ATOM 351 O GLU A 24 -2.012 11.455 10.925 1.00 0.00 O ATOM 352 CB GLU A 24 -0.927 14.576 11.671 1.00 0.00 C ATOM 353 CG GLU A 24 0.256 15.537 11.623 1.00 0.00 C ATOM 354 CD GLU A 24 0.180 16.508 10.462 1.00 0.00 C ATOM 355 OE1 GLU A 24 -0.717 17.376 10.463 1.00 0.00 O ATOM 356 OE2 GLU A 24 1.006 16.400 9.536 1.00 0.00 O ATOM 0 H GLU A 24 -1.386 15.287 9.318 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.078 13.020 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.849 15.157 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.877 14.006 12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.300 16.098 12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.180 14.964 11.551 1.00 0.00 H new ATOM 363 N GLY A 25 -3.377 13.205 10.552 1.00 0.00 N ATOM 364 CA GLY A 25 -4.580 12.419 10.692 1.00 0.00 C ATOM 365 C GLY A 25 -4.938 11.694 9.414 1.00 0.00 C ATOM 366 O GLY A 25 -5.903 12.049 8.742 1.00 0.00 O ATOM 0 H GLY A 25 -3.534 14.192 10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.447 11.694 11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.405 13.069 10.983 1.00 0.00 H new ATOM 370 N TYR A 26 -4.157 10.677 9.073 1.00 0.00 N ATOM 371 CA TYR A 26 -4.403 9.898 7.868 1.00 0.00 C ATOM 372 C TYR A 26 -5.725 9.141 7.969 1.00 0.00 C ATOM 373 O TYR A 26 -6.458 9.024 6.991 1.00 0.00 O ATOM 374 CB TYR A 26 -3.240 8.931 7.587 1.00 0.00 C ATOM 375 CG TYR A 26 -2.757 8.157 8.800 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.396 6.994 9.216 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.649 8.586 9.522 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.948 6.287 10.316 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.197 7.883 10.623 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.849 6.736 11.016 1.00 0.00 C ATOM 381 OH TYR A 26 -1.398 6.035 12.111 1.00 0.00 O ATOM 0 H TYR A 26 -3.348 10.373 9.614 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.473 10.592 7.030 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.551 8.222 6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.404 9.498 7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.257 6.637 8.670 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.132 9.484 9.217 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.457 5.386 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.336 8.232 11.173 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.614 6.486 12.488 1.00 0.00 H new ATOM 391 N ALA A 27 -6.051 8.673 9.170 1.00 0.00 N ATOM 392 CA ALA A 27 -7.266 7.894 9.383 1.00 0.00 C ATOM 393 C ALA A 27 -8.500 8.792 9.418 1.00 0.00 C ATOM 394 O ALA A 27 -9.607 8.333 9.692 1.00 0.00 O ATOM 395 CB ALA A 27 -7.162 7.083 10.664 1.00 0.00 C ATOM 0 H ALA A 27 -5.491 8.820 10.010 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.374 7.207 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.077 6.508 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.313 6.402 10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.021 7.756 11.510 1.00 0.00 H new ATOM 401 N GLU A 28 -8.301 10.075 9.155 1.00 0.00 N ATOM 402 CA GLU A 28 -9.403 11.018 9.065 1.00 0.00 C ATOM 403 C GLU A 28 -10.025 10.920 7.674 1.00 0.00 C ATOM 404 O GLU A 28 -11.204 11.217 7.475 1.00 0.00 O ATOM 405 CB GLU A 28 -8.886 12.435 9.344 1.00 0.00 C ATOM 406 CG GLU A 28 -9.904 13.381 9.966 1.00 0.00 C ATOM 407 CD GLU A 28 -10.914 13.919 8.978 1.00 0.00 C ATOM 408 OE1 GLU A 28 -10.529 14.739 8.118 1.00 0.00 O ATOM 409 OE2 GLU A 28 -12.101 13.544 9.065 1.00 0.00 O ATOM 0 H GLU A 28 -7.381 10.487 9.000 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.167 10.784 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.023 12.367 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.535 12.868 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.432 12.859 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.377 14.217 10.426 1.00 0.00 H new ATOM 416 N ASP A 29 -9.220 10.464 6.720 1.00 0.00 N ATOM 417 CA ASP A 29 -9.666 10.299 5.342 1.00 0.00 C ATOM 418 C ASP A 29 -10.551 9.069 5.212 1.00 0.00 C ATOM 419 O ASP A 29 -10.091 7.936 5.362 1.00 0.00 O ATOM 420 CB ASP A 29 -8.467 10.168 4.405 1.00 0.00 C ATOM 421 CG ASP A 29 -8.886 10.013 2.956 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.470 10.965 2.393 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.632 8.948 2.376 1.00 0.00 O ATOM 0 H ASP A 29 -8.248 10.200 6.879 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.241 11.182 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.832 11.048 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.868 9.307 4.702 1.00 0.00 H new ATOM 428 N GLU A 30 -11.820 9.303 4.900 1.00 0.00 N ATOM 429 CA GLU A 30 -12.803 8.239 4.837 1.00 0.00 C ATOM 430 C GLU A 30 -12.418 7.258 3.742 1.00 0.00 C ATOM 431 O GLU A 30 -12.607 6.052 3.871 1.00 0.00 O ATOM 432 CB GLU A 30 -14.190 8.824 4.562 1.00 0.00 C ATOM 433 CG GLU A 30 -15.330 7.903 4.954 1.00 0.00 C ATOM 434 CD GLU A 30 -15.347 7.620 6.439 1.00 0.00 C ATOM 435 OE1 GLU A 30 -15.831 8.481 7.207 1.00 0.00 O ATOM 436 OE2 GLU A 30 -14.868 6.547 6.850 1.00 0.00 O ATOM 0 H GLU A 30 -12.190 10.229 4.686 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.831 7.714 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.292 9.764 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.272 9.057 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.278 8.355 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.241 6.964 4.407 1.00 0.00 H new ATOM 443 N LEU A 31 -11.844 7.794 2.680 1.00 0.00 N ATOM 444 CA LEU A 31 -11.404 6.997 1.552 1.00 0.00 C ATOM 445 C LEU A 31 -10.340 6.003 1.985 1.00 0.00 C ATOM 446 O LEU A 31 -10.341 4.855 1.548 1.00 0.00 O ATOM 447 CB LEU A 31 -10.839 7.899 0.466 1.00 0.00 C ATOM 448 CG LEU A 31 -10.530 7.197 -0.853 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.801 6.686 -1.504 1.00 0.00 C ATOM 450 CD2 LEU A 31 -9.789 8.126 -1.790 1.00 0.00 C ATOM 0 H LEU A 31 -11.670 8.794 2.576 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.263 6.451 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.550 8.703 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.925 8.362 0.837 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.890 6.341 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.555 6.190 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.292 5.978 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.471 7.523 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.578 7.607 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.403 9.004 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.852 8.437 -1.328 1.00 0.00 H new ATOM 462 N LEU A 32 -9.438 6.451 2.850 1.00 0.00 N ATOM 463 CA LEU A 32 -8.376 5.614 3.376 1.00 0.00 C ATOM 464 C LEU A 32 -8.976 4.377 4.024 1.00 0.00 C ATOM 465 O LEU A 32 -8.501 3.256 3.835 1.00 0.00 O ATOM 466 CB LEU A 32 -7.590 6.404 4.414 1.00 0.00 C ATOM 467 CG LEU A 32 -6.074 6.374 4.262 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.608 7.498 3.349 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.396 6.462 5.618 1.00 0.00 C ATOM 0 H LEU A 32 -9.426 7.407 3.205 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.713 5.308 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.919 7.442 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.845 6.022 5.403 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.793 5.425 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.523 7.462 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.065 7.381 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.902 8.458 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.314 6.439 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.682 7.393 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.704 5.618 6.234 1.00 0.00 H new ATOM 481 N LEU A 33 -10.046 4.607 4.766 1.00 0.00 N ATOM 482 CA LEU A 33 -10.773 3.548 5.436 1.00 0.00 C ATOM 483 C LEU A 33 -11.419 2.597 4.435 1.00 0.00 C ATOM 484 O LEU A 33 -11.280 1.377 4.544 1.00 0.00 O ATOM 485 CB LEU A 33 -11.839 4.168 6.321 1.00 0.00 C ATOM 486 CG LEU A 33 -11.465 4.332 7.795 1.00 0.00 C ATOM 487 CD1 LEU A 33 -11.280 2.981 8.459 1.00 0.00 C ATOM 488 CD2 LEU A 33 -10.207 5.178 7.946 1.00 0.00 C ATOM 0 H LEU A 33 -10.434 5.538 4.920 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.072 2.969 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.094 5.148 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.738 3.555 6.259 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.286 4.849 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.014 3.124 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.208 2.413 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.484 2.433 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.962 5.280 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.379 4.695 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.379 6.165 7.517 1.00 0.00 H new ATOM 500 N ASN A 34 -12.096 3.161 3.442 1.00 0.00 N ATOM 501 CA ASN A 34 -12.793 2.361 2.435 1.00 0.00 C ATOM 502 C ASN A 34 -11.804 1.584 1.583 1.00 0.00 C ATOM 503 O ASN A 34 -12.013 0.414 1.288 1.00 0.00 O ATOM 504 CB ASN A 34 -13.662 3.239 1.527 1.00 0.00 C ATOM 505 CG ASN A 34 -14.880 3.807 2.229 1.00 0.00 C ATOM 506 OD1 ASN A 34 -15.933 3.172 2.281 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.753 5.013 2.756 1.00 0.00 N ATOM 0 H ASN A 34 -12.179 4.169 3.310 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.437 1.662 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.058 4.060 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.987 2.652 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.545 5.450 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.863 5.507 2.692 1.00 0.00 H new ATOM 514 N GLN A 35 -10.717 2.239 1.212 1.00 0.00 N ATOM 515 CA GLN A 35 -9.714 1.636 0.340 1.00 0.00 C ATOM 516 C GLN A 35 -9.009 0.473 1.027 1.00 0.00 C ATOM 517 O GLN A 35 -8.826 -0.597 0.437 1.00 0.00 O ATOM 518 CB GLN A 35 -8.696 2.686 -0.090 1.00 0.00 C ATOM 519 CG GLN A 35 -9.210 3.595 -1.199 1.00 0.00 C ATOM 520 CD GLN A 35 -8.356 4.829 -1.414 1.00 0.00 C ATOM 521 OE1 GLN A 35 -7.928 5.467 -0.331 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -8.151 5.259 -2.549 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.503 3.193 1.501 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.224 1.247 -0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.423 3.294 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.788 2.187 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.257 3.029 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.228 3.904 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.494 4.743 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.638 6.131 -2.679 1.00 0.00 H new ATOM 531 N MET A 36 -8.643 0.672 2.287 1.00 0.00 N ATOM 532 CA MET A 36 -7.944 -0.358 3.038 1.00 0.00 C ATOM 533 C MET A 36 -8.922 -1.302 3.719 1.00 0.00 C ATOM 534 O MET A 36 -8.518 -2.221 4.417 1.00 0.00 O ATOM 535 CB MET A 36 -6.989 0.252 4.063 1.00 0.00 C ATOM 536 CG MET A 36 -5.841 1.019 3.429 1.00 0.00 C ATOM 537 SD MET A 36 -5.081 0.132 2.051 1.00 0.00 S ATOM 538 CE MET A 36 -4.507 -1.365 2.851 1.00 0.00 C ATOM 0 H MET A 36 -8.818 1.532 2.806 1.00 0.00 H new ATOM 0 HA MET A 36 -7.353 -0.934 2.326 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.548 0.922 4.717 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.584 -0.542 4.691 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.206 1.984 3.077 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.084 1.222 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.437 -1.481 2.681 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.700 -1.302 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 36 -5.035 -2.224 2.437 1.00 0.00 H new ATOM 548 N GLY A 37 -10.207 -1.043 3.553 1.00 0.00 N ATOM 549 CA GLY A 37 -11.207 -2.034 3.895 1.00 0.00 C ATOM 550 C GLY A 37 -11.559 -2.858 2.677 1.00 0.00 C ATOM 551 O GLY A 37 -11.975 -4.014 2.778 1.00 0.00 O ATOM 0 H GLY A 37 -10.578 -0.166 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.832 -2.683 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.100 -1.543 4.282 1.00 0.00 H new ATOM 555 N LYS A 38 -11.377 -2.231 1.524 1.00 0.00 N ATOM 556 CA LYS A 38 -11.594 -2.849 0.228 1.00 0.00 C ATOM 557 C LYS A 38 -10.609 -3.986 -0.001 1.00 0.00 C ATOM 558 O LYS A 38 -10.993 -5.153 -0.066 1.00 0.00 O ATOM 559 CB LYS A 38 -11.423 -1.782 -0.852 1.00 0.00 C ATOM 560 CG LYS A 38 -11.611 -2.268 -2.277 1.00 0.00 C ATOM 561 CD LYS A 38 -11.349 -1.143 -3.265 1.00 0.00 C ATOM 562 CE LYS A 38 -11.593 -1.579 -4.698 1.00 0.00 C ATOM 563 NZ LYS A 38 -13.010 -1.959 -4.929 1.00 0.00 N ATOM 0 H LYS A 38 -11.069 -1.261 1.464 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.600 -3.266 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.135 -0.979 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.426 -1.352 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.934 -3.099 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.625 -2.645 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.993 -0.296 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.320 -0.800 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.319 -0.770 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.947 -2.425 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.186 -2.037 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.203 -2.874 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.635 -1.233 -4.524 1.00 0.00 H new ATOM 577 N VAL A 39 -9.336 -3.645 -0.117 1.00 0.00 N ATOM 578 CA VAL A 39 -8.316 -4.653 -0.341 1.00 0.00 C ATOM 579 C VAL A 39 -7.466 -4.831 0.913 1.00 0.00 C ATOM 580 O VAL A 39 -6.537 -4.066 1.181 1.00 0.00 O ATOM 581 CB VAL A 39 -7.438 -4.326 -1.575 1.00 0.00 C ATOM 582 CG1 VAL A 39 -6.788 -2.951 -1.461 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.396 -5.413 -1.778 1.00 0.00 C ATOM 0 H VAL A 39 -8.988 -2.688 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.819 -5.596 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.086 -4.296 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.181 -2.761 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.562 -2.188 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.155 -2.920 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.785 -5.173 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.761 -5.478 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.894 -6.369 -1.937 1.00 0.00 H new ATOM 593 N ASN A 40 -7.804 -5.846 1.696 1.00 0.00 N ATOM 594 CA ASN A 40 -7.185 -6.024 2.998 1.00 0.00 C ATOM 595 C ASN A 40 -7.666 -7.295 3.678 1.00 0.00 C ATOM 596 O ASN A 40 -6.960 -7.876 4.503 1.00 0.00 O ATOM 597 CB ASN A 40 -7.522 -4.831 3.872 1.00 0.00 C ATOM 598 CG ASN A 40 -6.650 -4.753 5.096 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.043 -5.164 6.188 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.444 -4.252 4.912 1.00 0.00 N ATOM 0 H ASN A 40 -8.498 -6.553 1.453 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.107 -6.105 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.411 -3.915 3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.567 -4.891 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.792 -4.193 5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.164 -3.924 3.988 1.00 0.00 H new ATOM 607 N ASP A 41 -8.871 -7.718 3.331 1.00 0.00 N ATOM 608 CA ASP A 41 -9.491 -8.875 3.959 1.00 0.00 C ATOM 609 C ASP A 41 -8.680 -10.138 3.700 1.00 0.00 C ATOM 610 O ASP A 41 -8.441 -10.938 4.606 1.00 0.00 O ATOM 611 CB ASP A 41 -10.914 -9.058 3.440 1.00 0.00 C ATOM 612 CG ASP A 41 -11.649 -10.176 4.147 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.157 -9.942 5.263 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.731 -11.291 3.588 1.00 0.00 O ATOM 0 H ASP A 41 -9.443 -7.274 2.613 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.521 -8.699 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.466 -8.127 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.883 -9.267 2.371 1.00 0.00 H new ATOM 619 N THR A 42 -8.254 -10.304 2.460 1.00 0.00 N ATOM 620 CA THR A 42 -7.438 -11.444 2.082 1.00 0.00 C ATOM 621 C THR A 42 -6.421 -11.038 1.010 1.00 0.00 C ATOM 622 O THR A 42 -6.555 -11.369 -0.169 1.00 0.00 O ATOM 623 CB THR A 42 -8.317 -12.629 1.609 1.00 0.00 C ATOM 624 OG1 THR A 42 -7.502 -13.715 1.148 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.294 -12.210 0.517 1.00 0.00 C ATOM 0 H THR A 42 -8.461 -9.661 1.696 1.00 0.00 H new ATOM 0 HA THR A 42 -6.888 -11.781 2.961 1.00 0.00 H new ATOM 0 HB THR A 42 -8.898 -12.961 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.076 -14.453 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.891 -13.070 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.951 -11.428 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.739 -11.832 -0.342 1.00 0.00 H new ATOM 633 N PRO A 43 -5.376 -10.298 1.411 1.00 0.00 N ATOM 634 CA PRO A 43 -4.365 -9.802 0.495 1.00 0.00 C ATOM 635 C PRO A 43 -3.185 -10.763 0.352 1.00 0.00 C ATOM 636 O PRO A 43 -2.085 -10.358 -0.022 1.00 0.00 O ATOM 637 CB PRO A 43 -3.930 -8.507 1.175 1.00 0.00 C ATOM 638 CG PRO A 43 -4.055 -8.788 2.639 1.00 0.00 C ATOM 639 CD PRO A 43 -5.097 -9.875 2.795 1.00 0.00 C ATOM 0 HA PRO A 43 -4.738 -9.676 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.907 -8.244 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.562 -7.671 0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.099 -9.108 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.352 -7.889 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.724 -10.703 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.995 -9.501 3.287 1.00 0.00 H new ATOM 647 N GLU A 44 -3.432 -12.031 0.695 1.00 0.00 N ATOM 648 CA GLU A 44 -2.448 -13.115 0.589 1.00 0.00 C ATOM 649 C GLU A 44 -1.336 -12.999 1.640 1.00 0.00 C ATOM 650 O GLU A 44 -0.877 -14.007 2.175 1.00 0.00 O ATOM 651 CB GLU A 44 -1.867 -13.195 -0.829 1.00 0.00 C ATOM 652 CG GLU A 44 -1.085 -14.473 -1.098 1.00 0.00 C ATOM 653 CD GLU A 44 -0.908 -14.756 -2.577 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.916 -15.078 -3.244 1.00 0.00 O ATOM 655 OE2 GLU A 44 0.233 -14.684 -3.077 1.00 0.00 O ATOM 0 H GLU A 44 -4.334 -12.339 1.059 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.977 -14.046 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.681 -13.119 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.214 -12.338 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.105 -14.399 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.600 -15.313 -0.632 1.00 0.00 H new ATOM 662 N GLU A 45 -0.903 -11.780 1.934 1.00 0.00 N ATOM 663 CA GLU A 45 0.126 -11.555 2.947 1.00 0.00 C ATOM 664 C GLU A 45 -0.477 -11.539 4.353 1.00 0.00 C ATOM 665 O GLU A 45 -0.662 -12.590 4.964 1.00 0.00 O ATOM 666 CB GLU A 45 0.896 -10.260 2.642 1.00 0.00 C ATOM 667 CG GLU A 45 1.862 -9.812 3.736 1.00 0.00 C ATOM 668 CD GLU A 45 2.964 -10.815 4.032 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.918 -11.937 3.490 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.889 -10.469 4.798 1.00 0.00 O ATOM 0 H GLU A 45 -1.247 -10.930 1.487 1.00 0.00 H new ATOM 0 HA GLU A 45 0.834 -12.383 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.456 -10.397 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.177 -9.461 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.315 -8.865 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.299 -9.625 4.650 1.00 0.00 H new ATOM 677 N GLU A 46 -0.808 -10.361 4.857 1.00 0.00 N ATOM 678 CA GLU A 46 -1.355 -10.248 6.192 1.00 0.00 C ATOM 679 C GLU A 46 -2.802 -9.740 6.145 1.00 0.00 C ATOM 680 O GLU A 46 -3.689 -10.470 5.705 1.00 0.00 O ATOM 681 CB GLU A 46 -0.437 -9.401 7.097 1.00 0.00 C ATOM 682 CG GLU A 46 0.757 -10.177 7.619 1.00 0.00 C ATOM 683 CD GLU A 46 1.559 -9.396 8.635 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.239 -9.479 9.838 1.00 0.00 O ATOM 685 OE2 GLU A 46 2.519 -8.709 8.243 1.00 0.00 O ATOM 0 H GLU A 46 -0.707 -9.475 4.361 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.392 -11.239 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.084 -8.534 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.015 -9.023 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.412 -11.107 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.402 -10.449 6.784 1.00 0.00 H new ATOM 692 N GLY A 47 -3.054 -8.509 6.568 1.00 0.00 N ATOM 693 CA GLY A 47 -4.397 -7.959 6.438 1.00 0.00 C ATOM 694 C GLY A 47 -4.582 -6.684 7.225 1.00 0.00 C ATOM 695 O GLY A 47 -4.079 -5.632 6.833 1.00 0.00 O ATOM 0 H GLY A 47 -2.367 -7.886 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.606 -7.765 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.123 -8.699 6.776 1.00 0.00 H new ATOM 699 N MET A 48 -5.306 -6.771 8.334 1.00 0.00 N ATOM 700 CA MET A 48 -5.470 -5.647 9.249 1.00 0.00 C ATOM 701 C MET A 48 -4.114 -5.014 9.606 1.00 0.00 C ATOM 702 O MET A 48 -3.934 -3.784 9.506 1.00 0.00 O ATOM 703 CB MET A 48 -6.209 -6.110 10.511 1.00 0.00 C ATOM 704 CG MET A 48 -6.281 -5.060 11.594 1.00 0.00 C ATOM 705 SD MET A 48 -7.142 -3.574 11.072 1.00 0.00 S ATOM 706 CE MET A 48 -6.328 -2.397 12.134 1.00 0.00 C ATOM 0 H MET A 48 -5.794 -7.618 8.624 1.00 0.00 H new ATOM 0 HA MET A 48 -6.064 -4.880 8.753 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.221 -6.408 10.239 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.712 -6.995 10.908 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.785 -5.478 12.465 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.270 -4.797 11.906 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.734 -1.402 11.953 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.493 -2.672 13.176 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.258 -2.396 11.924 1.00 0.00 H new ATOM 716 N PRO A 49 -3.111 -5.824 9.985 1.00 0.00 N ATOM 717 CA PRO A 49 -1.781 -5.301 10.236 1.00 0.00 C ATOM 718 C PRO A 49 -1.222 -4.654 8.981 1.00 0.00 C ATOM 719 O PRO A 49 -0.517 -3.665 9.073 1.00 0.00 O ATOM 720 CB PRO A 49 -0.962 -6.530 10.639 1.00 0.00 C ATOM 721 CG PRO A 49 -1.724 -7.669 10.078 1.00 0.00 C ATOM 722 CD PRO A 49 -3.162 -7.282 10.183 1.00 0.00 C ATOM 0 HA PRO A 49 -1.767 -4.530 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.048 -6.487 10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.867 -6.608 11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.443 -7.856 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.523 -8.586 10.633 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.772 -7.774 9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.584 -7.546 11.153 1.00 0.00 H new ATOM 730 N LEU A 50 -1.565 -5.208 7.803 1.00 0.00 N ATOM 731 CA LEU A 50 -1.131 -4.624 6.535 1.00 0.00 C ATOM 732 C LEU A 50 -1.640 -3.197 6.356 1.00 0.00 C ATOM 733 O LEU A 50 -0.900 -2.339 5.932 1.00 0.00 O ATOM 734 CB LEU A 50 -1.521 -5.429 5.303 1.00 0.00 C ATOM 735 CG LEU A 50 -0.749 -6.725 5.068 1.00 0.00 C ATOM 736 CD1 LEU A 50 -0.707 -7.030 3.585 1.00 0.00 C ATOM 737 CD2 LEU A 50 0.664 -6.641 5.633 1.00 0.00 C ATOM 0 H LEU A 50 -2.135 -6.049 7.710 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.043 -4.633 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.581 -5.671 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.397 -4.794 4.426 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.265 -7.531 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.155 -7.955 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.723 -7.141 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.212 -6.214 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.186 -7.580 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.202 -5.826 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.616 -6.457 6.706 1.00 0.00 H new ATOM 749 N ARG A 51 -2.901 -2.925 6.657 1.00 0.00 N ATOM 750 CA ARG A 51 -3.392 -1.561 6.472 1.00 0.00 C ATOM 751 C ARG A 51 -2.639 -0.607 7.375 1.00 0.00 C ATOM 752 O ARG A 51 -2.282 0.485 6.956 1.00 0.00 O ATOM 753 CB ARG A 51 -4.908 -1.440 6.656 1.00 0.00 C ATOM 754 CG ARG A 51 -5.439 -1.943 7.985 1.00 0.00 C ATOM 755 CD ARG A 51 -6.951 -2.103 7.969 1.00 0.00 C ATOM 756 NE ARG A 51 -7.654 -0.825 7.860 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.914 -0.703 7.442 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.611 -1.778 7.098 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.481 0.493 7.383 1.00 0.00 N ATOM 0 H ARG A 51 -3.581 -3.596 7.016 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.200 -1.285 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.189 -0.393 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.400 -1.990 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.975 -2.901 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.156 -1.248 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.236 -2.742 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.268 -2.611 8.880 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.150 0.023 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.183 -2.702 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.575 -1.680 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.953 1.322 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.445 0.585 7.063 1.00 0.00 H new ATOM 773 N ALA A 52 -2.350 -1.032 8.595 1.00 0.00 N ATOM 774 CA ALA A 52 -1.466 -0.244 9.453 1.00 0.00 C ATOM 775 C ALA A 52 -0.063 -0.163 8.831 1.00 0.00 C ATOM 776 O ALA A 52 0.550 0.899 8.756 1.00 0.00 O ATOM 777 CB ALA A 52 -1.401 -0.851 10.847 1.00 0.00 C ATOM 0 H ALA A 52 -2.702 -1.895 9.010 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.867 0.766 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.739 -0.253 11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.399 -0.866 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.018 -1.869 10.783 1.00 0.00 H new ATOM 783 N TRP A 53 0.392 -1.312 8.357 1.00 0.00 N ATOM 784 CA TRP A 53 1.719 -1.513 7.783 1.00 0.00 C ATOM 785 C TRP A 53 1.959 -0.668 6.524 1.00 0.00 C ATOM 786 O TRP A 53 2.955 0.051 6.442 1.00 0.00 O ATOM 787 CB TRP A 53 1.799 -3.035 7.540 1.00 0.00 C ATOM 788 CG TRP A 53 2.568 -3.570 6.375 1.00 0.00 C ATOM 789 CD1 TRP A 53 3.772 -4.136 6.455 1.00 0.00 C ATOM 790 CD2 TRP A 53 2.162 -3.704 5.000 1.00 0.00 C ATOM 791 NE1 TRP A 53 4.199 -4.551 5.223 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.233 -4.277 4.311 1.00 0.00 C ATOM 793 CE3 TRP A 53 1.027 -3.369 4.279 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.199 -4.510 2.945 1.00 0.00 C ATOM 795 CZ3 TRP A 53 0.992 -3.611 2.925 1.00 0.00 C ATOM 796 CH2 TRP A 53 2.082 -4.170 2.272 1.00 0.00 C ATOM 0 H TRP A 53 -0.171 -2.163 8.360 1.00 0.00 H new ATOM 0 HA TRP A 53 2.515 -1.175 8.446 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.220 -3.484 8.439 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.777 -3.402 7.449 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.335 -4.252 7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.096 -4.994 5.023 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.178 -2.922 4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.043 -4.951 2.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.104 -3.363 2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.034 -4.335 1.206 1.00 0.00 H new ATOM 807 N VAL A 54 1.047 -0.731 5.564 1.00 0.00 N ATOM 808 CA VAL A 54 1.173 0.032 4.331 1.00 0.00 C ATOM 809 C VAL A 54 0.903 1.514 4.547 1.00 0.00 C ATOM 810 O VAL A 54 1.631 2.345 4.020 1.00 0.00 O ATOM 811 CB VAL A 54 0.288 -0.536 3.191 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.928 0.331 2.889 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.134 -0.749 1.940 1.00 0.00 C ATOM 0 H VAL A 54 0.207 -1.307 5.617 1.00 0.00 H new ATOM 0 HA VAL A 54 2.211 -0.072 4.015 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.106 -1.493 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.506 -0.121 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.550 0.409 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.600 1.326 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.509 -1.148 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.563 0.202 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.936 -1.454 2.159 1.00 0.00 H new ATOM 823 N ILE A 55 -0.141 1.858 5.309 1.00 0.00 N ATOM 824 CA ILE A 55 -0.433 3.262 5.569 1.00 0.00 C ATOM 825 C ILE A 55 0.756 3.943 6.239 1.00 0.00 C ATOM 826 O ILE A 55 1.092 5.082 5.914 1.00 0.00 O ATOM 827 CB ILE A 55 -1.716 3.439 6.411 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.934 3.013 5.587 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.868 4.878 6.884 1.00 0.00 C ATOM 830 CD1 ILE A 55 -4.239 3.048 6.351 1.00 0.00 C ATOM 0 H ILE A 55 -0.782 1.196 5.746 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.611 3.742 4.607 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.642 2.806 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.017 3.665 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.771 2.002 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.780 4.973 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.009 5.152 7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.924 5.541 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.052 2.733 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.178 2.374 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.428 4.063 6.702 1.00 0.00 H new ATOM 842 N LYS A 56 1.416 3.235 7.148 1.00 0.00 N ATOM 843 CA LYS A 56 2.635 3.748 7.752 1.00 0.00 C ATOM 844 C LYS A 56 3.770 3.779 6.733 1.00 0.00 C ATOM 845 O LYS A 56 4.429 4.803 6.576 1.00 0.00 O ATOM 846 CB LYS A 56 3.052 2.919 8.972 1.00 0.00 C ATOM 847 CG LYS A 56 2.183 3.137 10.206 1.00 0.00 C ATOM 848 CD LYS A 56 2.214 4.584 10.684 1.00 0.00 C ATOM 849 CE LYS A 56 3.625 5.050 11.029 1.00 0.00 C ATOM 850 NZ LYS A 56 4.248 4.224 12.097 1.00 0.00 N ATOM 0 H LYS A 56 1.130 2.314 7.479 1.00 0.00 H new ATOM 0 HA LYS A 56 2.428 4.765 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.025 1.863 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.085 3.158 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.155 2.853 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.525 2.484 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.800 5.229 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.575 4.688 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.247 5.012 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.593 6.091 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.162 4.639 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.620 4.198 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.398 3.257 11.745 1.00 0.00 H new ATOM 864 N CYS A 57 3.976 2.668 6.022 1.00 0.00 N ATOM 865 CA CYS A 57 5.070 2.577 5.056 1.00 0.00 C ATOM 866 C CYS A 57 4.938 3.653 3.978 1.00 0.00 C ATOM 867 O CYS A 57 5.912 4.323 3.634 1.00 0.00 O ATOM 868 CB CYS A 57 5.143 1.172 4.420 1.00 0.00 C ATOM 869 SG CYS A 57 6.587 0.940 3.358 1.00 0.00 S ATOM 0 H CYS A 57 3.405 1.826 6.097 1.00 0.00 H new ATOM 0 HA CYS A 57 6.001 2.747 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.159 0.423 5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.239 0.998 3.836 1.00 0.00 H new ATOM 0 HG CYS A 57 7.196 -0.160 3.688 1.00 0.00 H new ATOM 875 N ALA A 58 3.726 3.830 3.471 1.00 0.00 N ATOM 876 CA ALA A 58 3.444 4.850 2.471 1.00 0.00 C ATOM 877 C ALA A 58 3.635 6.251 3.040 1.00 0.00 C ATOM 878 O ALA A 58 4.197 7.125 2.382 1.00 0.00 O ATOM 879 CB ALA A 58 2.027 4.686 1.946 1.00 0.00 C ATOM 0 H ALA A 58 2.914 3.274 3.740 1.00 0.00 H new ATOM 0 HA ALA A 58 4.149 4.723 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.825 5.453 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.919 3.701 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.320 4.787 2.769 1.00 0.00 H new ATOM 885 N HIS A 59 3.168 6.455 4.268 1.00 0.00 N ATOM 886 CA HIS A 59 3.264 7.755 4.928 1.00 0.00 C ATOM 887 C HIS A 59 4.726 8.162 5.093 1.00 0.00 C ATOM 888 O HIS A 59 5.111 9.281 4.757 1.00 0.00 O ATOM 889 CB HIS A 59 2.567 7.700 6.296 1.00 0.00 C ATOM 890 CG HIS A 59 2.318 9.038 6.927 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.773 9.183 8.184 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.522 10.291 6.463 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.647 10.467 8.462 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.097 11.161 7.435 1.00 0.00 N ATOM 0 H HIS A 59 2.717 5.733 4.830 1.00 0.00 H new ATOM 0 HA HIS A 59 2.767 8.502 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.614 7.184 6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.175 7.101 6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.942 10.558 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.244 10.879 9.375 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.125 12.179 7.373 1.00 0.00 H new ATOM 903 N GLU A 60 5.534 7.235 5.596 1.00 0.00 N ATOM 904 CA GLU A 60 6.956 7.481 5.805 1.00 0.00 C ATOM 905 C GLU A 60 7.660 7.712 4.472 1.00 0.00 C ATOM 906 O GLU A 60 8.471 8.627 4.329 1.00 0.00 O ATOM 907 CB GLU A 60 7.599 6.290 6.517 1.00 0.00 C ATOM 908 CG GLU A 60 6.938 5.924 7.838 1.00 0.00 C ATOM 909 CD GLU A 60 7.105 6.989 8.898 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.240 7.168 9.389 1.00 0.00 O ATOM 911 OE2 GLU A 60 6.103 7.637 9.261 1.00 0.00 O ATOM 0 H GLU A 60 5.226 6.301 5.868 1.00 0.00 H new ATOM 0 HA GLU A 60 7.060 8.373 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.567 5.425 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.650 6.514 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.875 5.750 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.361 4.988 8.202 1.00 0.00 H new ATOM 918 N ALA A 61 7.327 6.876 3.493 1.00 0.00 N ATOM 919 CA ALA A 61 7.953 6.939 2.180 1.00 0.00 C ATOM 920 C ALA A 61 7.645 8.253 1.480 1.00 0.00 C ATOM 921 O ALA A 61 8.529 8.872 0.889 1.00 0.00 O ATOM 922 CB ALA A 61 7.494 5.773 1.319 1.00 0.00 C ATOM 0 H ALA A 61 6.623 6.144 3.587 1.00 0.00 H new ATOM 0 HA ALA A 61 9.032 6.877 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.970 5.834 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.771 4.835 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.411 5.814 1.199 1.00 0.00 H new ATOM 928 N LEU A 62 6.390 8.679 1.556 1.00 0.00 N ATOM 929 CA LEU A 62 5.964 9.890 0.880 1.00 0.00 C ATOM 930 C LEU A 62 6.586 11.120 1.516 1.00 0.00 C ATOM 931 O LEU A 62 7.133 11.958 0.824 1.00 0.00 O ATOM 932 CB LEU A 62 4.435 10.004 0.886 1.00 0.00 C ATOM 933 CG LEU A 62 3.861 11.231 0.162 1.00 0.00 C ATOM 934 CD1 LEU A 62 2.465 10.941 -0.339 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.827 12.446 1.077 1.00 0.00 C ATOM 0 H LEU A 62 5.654 8.203 2.078 1.00 0.00 H new ATOM 0 HA LEU A 62 6.306 9.832 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.019 9.106 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.093 10.022 1.921 1.00 0.00 H new ATOM 0 HG LEU A 62 4.514 11.450 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.072 11.820 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.495 10.101 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.820 10.692 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.416 13.298 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.202 12.231 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.839 12.681 1.408 1.00 0.00 H new ATOM 947 N GLU A 63 6.522 11.219 2.834 1.00 0.00 N ATOM 948 CA GLU A 63 7.029 12.402 3.526 1.00 0.00 C ATOM 949 C GLU A 63 8.534 12.556 3.332 1.00 0.00 C ATOM 950 O GLU A 63 9.068 13.662 3.412 1.00 0.00 O ATOM 951 CB GLU A 63 6.676 12.354 5.014 1.00 0.00 C ATOM 952 CG GLU A 63 5.249 12.792 5.310 1.00 0.00 C ATOM 953 CD GLU A 63 5.010 14.245 4.951 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.647 14.528 3.793 1.00 0.00 O ATOM 955 OE2 GLU A 63 5.196 15.120 5.825 1.00 0.00 O ATOM 0 H GLU A 63 6.128 10.504 3.445 1.00 0.00 H new ATOM 0 HA GLU A 63 6.546 13.275 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.820 11.338 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.366 12.993 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.555 12.163 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.037 12.641 6.368 1.00 0.00 H new ATOM 962 N LYS A 64 9.213 11.445 3.078 1.00 0.00 N ATOM 963 CA LYS A 64 10.653 11.462 2.861 1.00 0.00 C ATOM 964 C LYS A 64 10.977 12.093 1.509 1.00 0.00 C ATOM 965 O LYS A 64 11.991 12.769 1.348 1.00 0.00 O ATOM 966 CB LYS A 64 11.211 10.041 2.924 1.00 0.00 C ATOM 967 CG LYS A 64 12.719 9.966 2.761 1.00 0.00 C ATOM 968 CD LYS A 64 13.208 8.529 2.713 1.00 0.00 C ATOM 969 CE LYS A 64 12.906 7.786 4.003 1.00 0.00 C ATOM 970 NZ LYS A 64 13.403 6.388 3.957 1.00 0.00 N ATOM 0 H LYS A 64 8.789 10.519 3.017 1.00 0.00 H new ATOM 0 HA LYS A 64 11.117 12.059 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.936 9.595 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.741 9.441 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.012 10.481 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.201 10.487 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.736 8.012 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.282 8.517 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.366 8.309 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.830 7.785 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.180 5.911 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.945 5.882 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.433 6.390 3.813 1.00 0.00 H new ATOM 984 N ASN A 65 10.095 11.877 0.548 1.00 0.00 N ATOM 985 CA ASN A 65 10.263 12.400 -0.798 1.00 0.00 C ATOM 986 C ASN A 65 8.894 12.672 -1.420 1.00 0.00 C ATOM 987 O ASN A 65 8.446 11.962 -2.321 1.00 0.00 O ATOM 988 CB ASN A 65 11.087 11.432 -1.667 1.00 0.00 C ATOM 989 CG ASN A 65 10.673 9.972 -1.525 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.679 9.560 -2.292 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.244 9.224 -0.729 1.00 0.00 N flip ATOM 0 H ASN A 65 9.242 11.334 0.679 1.00 0.00 H new ATOM 0 HA ASN A 65 10.815 13.339 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.992 11.727 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.140 11.528 -1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.008 9.579 -0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.953 8.250 -0.646 1.00 0.00 H new ATOM 998 N PRO A 66 8.222 13.743 -0.959 1.00 0.00 N ATOM 999 CA PRO A 66 6.808 14.006 -1.271 1.00 0.00 C ATOM 1000 C PRO A 66 6.603 14.591 -2.667 1.00 0.00 C ATOM 1001 O PRO A 66 5.700 15.397 -2.895 1.00 0.00 O ATOM 1002 CB PRO A 66 6.418 15.008 -0.182 1.00 0.00 C ATOM 1003 CG PRO A 66 7.666 15.780 0.067 1.00 0.00 C ATOM 1004 CD PRO A 66 8.798 14.800 -0.103 1.00 0.00 C ATOM 0 HA PRO A 66 6.204 13.099 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.607 15.658 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.076 14.502 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.759 16.609 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.667 16.208 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.664 15.267 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.130 14.402 0.856 1.00 0.00 H new ATOM 1012 N LYS A 67 7.447 14.167 -3.595 1.00 0.00 N ATOM 1013 CA LYS A 67 7.354 14.586 -4.983 1.00 0.00 C ATOM 1014 C LYS A 67 7.220 13.360 -5.877 1.00 0.00 C ATOM 1015 O LYS A 67 7.485 13.411 -7.079 1.00 0.00 O ATOM 1016 CB LYS A 67 8.584 15.409 -5.373 1.00 0.00 C ATOM 1017 CG LYS A 67 8.768 16.647 -4.516 1.00 0.00 C ATOM 1018 CD LYS A 67 10.030 17.409 -4.875 1.00 0.00 C ATOM 1019 CE LYS A 67 10.222 18.614 -3.969 1.00 0.00 C ATOM 1020 NZ LYS A 67 9.110 19.593 -4.104 1.00 0.00 N ATOM 0 H LYS A 67 8.215 13.523 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 67 6.472 15.214 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.473 14.783 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.498 15.707 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.904 17.301 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.806 16.358 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.893 16.748 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.977 17.736 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.289 18.282 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.166 19.102 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.371 20.483 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.928 19.775 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.252 19.207 -3.662 1.00 0.00 H new ATOM 1034 N ILE A 68 6.826 12.250 -5.268 1.00 0.00 N ATOM 1035 CA ILE A 68 6.604 11.012 -5.995 1.00 0.00 C ATOM 1036 C ILE A 68 5.136 10.845 -6.346 1.00 0.00 C ATOM 1037 O ILE A 68 4.321 11.741 -6.117 1.00 0.00 O ATOM 1038 CB ILE A 68 7.069 9.773 -5.199 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.522 9.797 -3.761 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.588 9.688 -5.214 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.656 8.470 -3.042 1.00 0.00 C ATOM 0 H ILE A 68 6.653 12.184 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 68 7.199 11.082 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 68 6.668 8.880 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.049 10.564 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.471 10.084 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.909 8.812 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.938 9.606 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.007 10.585 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.251 8.560 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.106 7.703 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.708 8.191 -2.986 1.00 0.00 H new ATOM 1053 N ARG A 69 4.806 9.693 -6.898 1.00 0.00 N ATOM 1054 CA ARG A 69 3.455 9.436 -7.368 1.00 0.00 C ATOM 1055 C ARG A 69 2.951 8.099 -6.840 1.00 0.00 C ATOM 1056 O ARG A 69 1.749 7.894 -6.693 1.00 0.00 O ATOM 1057 CB ARG A 69 3.423 9.452 -8.897 1.00 0.00 C ATOM 1058 CG ARG A 69 2.022 9.411 -9.484 1.00 0.00 C ATOM 1059 CD ARG A 69 2.065 9.305 -10.999 1.00 0.00 C ATOM 1060 NE ARG A 69 2.704 8.066 -11.433 1.00 0.00 N ATOM 1061 CZ ARG A 69 3.142 7.840 -12.668 1.00 0.00 C ATOM 1062 NH1 ARG A 69 3.037 8.777 -13.601 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.696 6.674 -12.963 1.00 0.00 N ATOM 0 H ARG A 69 5.455 8.918 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 69 2.798 10.221 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.929 10.350 -9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.988 8.599 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.477 8.561 -9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.477 10.310 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.051 9.351 -11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.607 10.157 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 69 2.822 7.324 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.618 9.679 -13.373 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.375 8.596 -14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.785 5.955 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.034 6.495 -13.909 1.00 0.00 H new ATOM 1077 N GLU A 70 3.876 7.185 -6.577 1.00 0.00 N ATOM 1078 CA GLU A 70 3.541 5.901 -5.992 1.00 0.00 C ATOM 1079 C GLU A 70 4.793 5.206 -5.462 1.00 0.00 C ATOM 1080 O GLU A 70 5.917 5.644 -5.720 1.00 0.00 O ATOM 1081 CB GLU A 70 2.819 4.996 -7.003 1.00 0.00 C ATOM 1082 CG GLU A 70 3.660 4.576 -8.203 1.00 0.00 C ATOM 1083 CD GLU A 70 3.775 5.651 -9.263 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.864 5.748 -10.111 1.00 0.00 O ATOM 1085 OE2 GLU A 70 4.776 6.395 -9.261 1.00 0.00 O ATOM 0 H GLU A 70 4.871 7.314 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 70 2.863 6.086 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.476 4.100 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.931 5.515 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.659 4.306 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.223 3.682 -8.648 1.00 0.00 H new ATOM 1092 N VAL A 71 4.589 4.140 -4.707 1.00 0.00 N ATOM 1093 CA VAL A 71 5.676 3.347 -4.163 1.00 0.00 C ATOM 1094 C VAL A 71 5.250 1.887 -4.161 1.00 0.00 C ATOM 1095 O VAL A 71 4.061 1.594 -4.118 1.00 0.00 O ATOM 1096 CB VAL A 71 6.037 3.802 -2.726 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.911 3.504 -1.747 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.346 3.175 -2.262 1.00 0.00 C ATOM 0 H VAL A 71 3.661 3.800 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 71 6.564 3.481 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 71 6.174 4.883 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.199 3.836 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.009 4.031 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.718 2.431 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.573 3.513 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.252 2.089 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.151 3.474 -2.934 1.00 0.00 H new ATOM 1108 N TYR A 72 6.190 0.969 -4.226 1.00 0.00 N ATOM 1109 CA TYR A 72 5.830 -0.434 -4.248 1.00 0.00 C ATOM 1110 C TYR A 72 6.239 -1.128 -2.963 1.00 0.00 C ATOM 1111 O TYR A 72 7.354 -0.963 -2.466 1.00 0.00 O ATOM 1112 CB TYR A 72 6.404 -1.147 -5.479 1.00 0.00 C ATOM 1113 CG TYR A 72 7.873 -0.892 -5.747 1.00 0.00 C ATOM 1114 CD1 TYR A 72 8.277 0.201 -6.504 1.00 0.00 C ATOM 1115 CD2 TYR A 72 8.849 -1.753 -5.266 1.00 0.00 C ATOM 1116 CE1 TYR A 72 9.611 0.429 -6.771 1.00 0.00 C ATOM 1117 CE2 TYR A 72 10.187 -1.535 -5.532 1.00 0.00 C ATOM 1118 CZ TYR A 72 10.562 -0.441 -6.284 1.00 0.00 C ATOM 1119 OH TYR A 72 11.894 -0.222 -6.559 1.00 0.00 O ATOM 0 H TYR A 72 7.191 1.162 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 72 4.744 -0.490 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.254 -2.220 -5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.833 -0.841 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.534 0.883 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.558 -2.608 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.908 1.285 -7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.934 -2.217 -5.154 1.00 0.00 H new ATOM 0 HH TYR A 72 12.434 -0.925 -6.142 1.00 0.00 H new ATOM 1129 N LEU A 73 5.300 -1.881 -2.425 1.00 0.00 N ATOM 1130 CA LEU A 73 5.495 -2.617 -1.193 1.00 0.00 C ATOM 1131 C LEU A 73 5.607 -4.101 -1.474 1.00 0.00 C ATOM 1132 O LEU A 73 4.941 -4.633 -2.366 1.00 0.00 O ATOM 1133 CB LEU A 73 4.323 -2.381 -0.234 1.00 0.00 C ATOM 1134 CG LEU A 73 4.566 -1.379 0.895 1.00 0.00 C ATOM 1135 CD1 LEU A 73 5.794 -1.773 1.702 1.00 0.00 C ATOM 1136 CD2 LEU A 73 4.698 0.037 0.351 1.00 0.00 C ATOM 0 H LEU A 73 4.373 -2.000 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 73 6.418 -2.262 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.467 -2.040 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.046 -3.337 0.210 1.00 0.00 H new ATOM 0 HG LEU A 73 3.702 -1.397 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.952 -1.049 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.644 -2.763 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.668 -1.790 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.870 0.729 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.537 0.083 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.781 0.314 -0.169 1.00 0.00 H new ATOM 1148 N LYS A 74 6.453 -4.763 -0.713 1.00 0.00 N ATOM 1149 CA LYS A 74 6.580 -6.201 -0.787 1.00 0.00 C ATOM 1150 C LYS A 74 6.512 -6.760 0.625 1.00 0.00 C ATOM 1151 O LYS A 74 7.275 -6.343 1.499 1.00 0.00 O ATOM 1152 CB LYS A 74 7.890 -6.591 -1.477 1.00 0.00 C ATOM 1153 CG LYS A 74 7.801 -7.878 -2.289 1.00 0.00 C ATOM 1154 CD LYS A 74 7.816 -9.123 -1.415 1.00 0.00 C ATOM 1155 CE LYS A 74 7.386 -10.358 -2.197 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.188 -10.551 -3.436 1.00 0.00 N ATOM 0 H LYS A 74 7.068 -4.321 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 74 5.768 -6.619 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.199 -5.779 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.668 -6.703 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.887 -7.866 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.635 -7.920 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.818 -9.275 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.150 -8.980 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.484 -11.239 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.332 -10.270 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.619 -10.281 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.041 -9.957 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.466 -11.550 -3.518 1.00 0.00 H new ATOM 1170 N PRO A 75 5.547 -7.664 0.857 1.00 0.00 N ATOM 1171 CA PRO A 75 5.288 -8.314 2.145 1.00 0.00 C ATOM 1172 C PRO A 75 6.506 -8.565 3.019 1.00 0.00 C ATOM 1173 O PRO A 75 7.577 -8.956 2.544 1.00 0.00 O ATOM 1174 CB PRO A 75 4.701 -9.631 1.686 1.00 0.00 C ATOM 1175 CG PRO A 75 3.834 -9.229 0.559 1.00 0.00 C ATOM 1176 CD PRO A 75 4.577 -8.137 -0.154 1.00 0.00 C ATOM 0 HA PRO A 75 4.665 -7.689 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.475 -10.331 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.134 -10.119 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.641 -10.071 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.866 -8.876 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.078 -8.509 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.908 -7.338 -0.473 1.00 0.00 H new ATOM 1184 N ARG A 76 6.296 -8.348 4.316 1.00 0.00 N ATOM 1185 CA ARG A 76 7.298 -8.615 5.340 1.00 0.00 C ATOM 1186 C ARG A 76 7.700 -10.075 5.268 1.00 0.00 C ATOM 1187 O ARG A 76 8.862 -10.431 5.464 1.00 0.00 O ATOM 1188 CB ARG A 76 6.713 -8.331 6.722 1.00 0.00 C ATOM 1189 CG ARG A 76 5.932 -7.027 6.798 1.00 0.00 C ATOM 1190 CD ARG A 76 4.966 -7.013 7.974 1.00 0.00 C ATOM 1191 NE ARG A 76 5.645 -6.930 9.265 1.00 0.00 N ATOM 1192 CZ ARG A 76 5.050 -7.185 10.431 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.801 -7.644 10.456 1.00 0.00 N ATOM 1194 NH2 ARG A 76 5.712 -7.003 11.569 1.00 0.00 N ATOM 0 H ARG A 76 5.420 -7.980 4.686 1.00 0.00 H new ATOM 0 HA ARG A 76 8.165 -7.976 5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.057 -9.154 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.523 -8.303 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.627 -6.192 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.378 -6.881 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.288 -6.166 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.356 -7.916 7.947 1.00 0.00 H new ATOM 0 HE ARG A 76 6.629 -6.662 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.298 -7.801 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.347 -7.839 11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.675 -6.668 11.551 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.257 -7.198 12.461 1.00 0.00 H new ATOM 1208 N ALA A 77 6.713 -10.917 4.994 1.00 0.00 N ATOM 1209 CA ALA A 77 6.955 -12.321 4.773 1.00 0.00 C ATOM 1210 C ALA A 77 7.361 -12.544 3.328 1.00 0.00 C ATOM 1211 O ALA A 77 6.531 -12.848 2.471 1.00 0.00 O ATOM 1212 CB ALA A 77 5.725 -13.142 5.118 1.00 0.00 C ATOM 0 H ALA A 77 5.734 -10.642 4.921 1.00 0.00 H new ATOM 0 HA ALA A 77 7.765 -12.647 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.932 -14.198 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.469 -12.991 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.890 -12.827 4.492 1.00 0.00 H new ATOM 1218 N VAL A 78 8.648 -12.367 3.064 1.00 0.00 N ATOM 1219 CA VAL A 78 9.213 -12.616 1.735 1.00 0.00 C ATOM 1220 C VAL A 78 8.959 -14.058 1.281 1.00 0.00 C ATOM 1221 O VAL A 78 9.148 -14.399 0.114 1.00 0.00 O ATOM 1222 CB VAL A 78 10.728 -12.325 1.703 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.993 -10.850 1.961 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.468 -13.185 2.718 1.00 0.00 C ATOM 0 H VAL A 78 9.329 -12.050 3.754 1.00 0.00 H new ATOM 0 HA VAL A 78 8.711 -11.937 1.046 1.00 0.00 H new ATOM 0 HB VAL A 78 11.100 -12.576 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.067 -10.663 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.502 -10.252 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.601 -10.576 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.534 -12.961 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.092 -12.972 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.309 -14.238 2.487 1.00 0.00 H new ATOM 1234 N LYS A 79 8.520 -14.884 2.224 1.00 0.00 N ATOM 1235 CA LYS A 79 8.126 -16.264 1.960 1.00 0.00 C ATOM 1236 C LYS A 79 6.993 -16.313 0.941 1.00 0.00 C ATOM 1237 O LYS A 79 6.901 -17.244 0.140 1.00 0.00 O ATOM 1238 CB LYS A 79 7.638 -16.914 3.256 1.00 0.00 C ATOM 1239 CG LYS A 79 8.539 -16.666 4.453 1.00 0.00 C ATOM 1240 CD LYS A 79 7.813 -16.954 5.755 1.00 0.00 C ATOM 1241 CE LYS A 79 8.639 -16.533 6.959 1.00 0.00 C ATOM 1242 NZ LYS A 79 7.863 -16.625 8.224 1.00 0.00 N ATOM 0 H LYS A 79 8.427 -14.612 3.203 1.00 0.00 H new ATOM 0 HA LYS A 79 8.991 -16.798 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.639 -16.541 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.548 -17.989 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.426 -17.296 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.882 -15.631 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.859 -16.427 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.590 -18.019 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.525 -17.164 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.987 -15.509 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.462 -16.329 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.031 -16.003 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.552 -17.607 8.370 1.00 0.00 H new ATOM 1256 N ASN A 80 6.145 -15.284 0.970 1.00 0.00 N ATOM 1257 CA ASN A 80 4.922 -15.265 0.173 1.00 0.00 C ATOM 1258 C ASN A 80 5.252 -15.291 -1.307 1.00 0.00 C ATOM 1259 O ASN A 80 4.568 -15.951 -2.091 1.00 0.00 O ATOM 1260 CB ASN A 80 4.114 -14.007 0.480 1.00 0.00 C ATOM 1261 CG ASN A 80 2.628 -14.271 0.547 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.111 -15.189 -0.088 1.00 0.00 O ATOM 1263 ND2 ASN A 80 1.932 -13.460 1.316 1.00 0.00 N ATOM 0 H ASN A 80 6.286 -14.450 1.540 1.00 0.00 H new ATOM 0 HA ASN A 80 4.337 -16.149 0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.448 -13.588 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.312 -13.257 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.923 -13.580 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.402 -12.711 1.825 1.00 0.00 H new ATOM 1270 N SER A 81 6.322 -14.584 -1.663 1.00 0.00 N ATOM 1271 CA SER A 81 6.886 -14.600 -3.012 1.00 0.00 C ATOM 1272 C SER A 81 5.989 -13.920 -4.057 1.00 0.00 C ATOM 1273 O SER A 81 6.398 -12.944 -4.683 1.00 0.00 O ATOM 1274 CB SER A 81 7.182 -16.044 -3.434 1.00 0.00 C ATOM 1275 OG SER A 81 7.995 -16.699 -2.469 1.00 0.00 O ATOM 0 H SER A 81 6.827 -13.978 -1.017 1.00 0.00 H new ATOM 0 HA SER A 81 7.808 -14.020 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.247 -16.590 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.684 -16.049 -4.401 1.00 0.00 H new ATOM 0 HG SER A 81 7.479 -16.841 -1.648 1.00 0.00 H new ATOM 1281 N SER A 82 4.774 -14.424 -4.220 1.00 0.00 N ATOM 1282 CA SER A 82 3.920 -14.065 -5.346 1.00 0.00 C ATOM 1283 C SER A 82 3.247 -12.702 -5.202 1.00 0.00 C ATOM 1284 O SER A 82 3.039 -12.011 -6.199 1.00 0.00 O ATOM 1285 CB SER A 82 2.859 -15.147 -5.518 1.00 0.00 C ATOM 1286 OG SER A 82 2.440 -15.642 -4.255 1.00 0.00 O ATOM 0 H SER A 82 4.352 -15.093 -3.576 1.00 0.00 H new ATOM 0 HA SER A 82 4.562 -13.992 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.003 -14.742 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.259 -15.963 -6.120 1.00 0.00 H new ATOM 0 HG SER A 82 1.572 -15.251 -4.022 1.00 0.00 H new ATOM 1292 N VAL A 83 2.894 -12.315 -3.988 1.00 0.00 N ATOM 1293 CA VAL A 83 2.084 -11.117 -3.799 1.00 0.00 C ATOM 1294 C VAL A 83 2.943 -9.854 -3.633 1.00 0.00 C ATOM 1295 O VAL A 83 3.936 -9.841 -2.899 1.00 0.00 O ATOM 1296 CB VAL A 83 1.108 -11.278 -2.603 1.00 0.00 C ATOM 1297 CG1 VAL A 83 1.839 -11.272 -1.278 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.037 -10.198 -2.629 1.00 0.00 C ATOM 0 H VAL A 83 3.149 -12.802 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 83 1.495 -10.992 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 83 0.624 -12.249 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.121 -11.387 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.552 -12.096 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.372 -10.328 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.635 -10.332 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.508 -9.217 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.530 -10.271 -3.557 1.00 0.00 H new ATOM 1308 N GLN A 84 2.562 -8.810 -4.366 1.00 0.00 N ATOM 1309 CA GLN A 84 3.193 -7.496 -4.268 1.00 0.00 C ATOM 1310 C GLN A 84 2.124 -6.423 -4.113 1.00 0.00 C ATOM 1311 O GLN A 84 0.957 -6.648 -4.425 1.00 0.00 O ATOM 1312 CB GLN A 84 4.038 -7.170 -5.511 1.00 0.00 C ATOM 1313 CG GLN A 84 5.421 -7.805 -5.532 1.00 0.00 C ATOM 1314 CD GLN A 84 5.403 -9.284 -5.859 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.243 -10.041 -5.377 1.00 0.00 O ATOM 1316 NE2 GLN A 84 4.469 -9.702 -6.696 1.00 0.00 N ATOM 0 H GLN A 84 1.804 -8.852 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 84 3.850 -7.515 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.493 -7.493 -6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.150 -6.088 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.039 -7.287 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.892 -7.662 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.790 -9.041 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.427 -10.685 -6.964 1.00 0.00 H new ATOM 1325 N PHE A 85 2.529 -5.254 -3.643 1.00 0.00 N ATOM 1326 CA PHE A 85 1.614 -4.132 -3.503 1.00 0.00 C ATOM 1327 C PHE A 85 2.182 -2.895 -4.183 1.00 0.00 C ATOM 1328 O PHE A 85 3.366 -2.598 -4.067 1.00 0.00 O ATOM 1329 CB PHE A 85 1.354 -3.818 -2.026 1.00 0.00 C ATOM 1330 CG PHE A 85 0.694 -4.924 -1.254 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.687 -5.001 -1.163 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.456 -5.879 -0.601 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.293 -6.007 -0.435 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.856 -6.887 0.125 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.520 -6.953 0.209 1.00 0.00 C ATOM 0 H PHE A 85 3.486 -5.057 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 85 0.673 -4.410 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.303 -3.576 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.729 -2.927 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.297 -4.266 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.533 -5.834 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.370 -6.053 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.463 -7.625 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.991 -7.742 0.777 1.00 0.00 H new ATOM 1345 N HIS A 86 1.344 -2.192 -4.909 1.00 0.00 N ATOM 1346 CA HIS A 86 1.701 -0.897 -5.459 1.00 0.00 C ATOM 1347 C HIS A 86 0.878 0.164 -4.763 1.00 0.00 C ATOM 1348 O HIS A 86 -0.337 0.220 -4.942 1.00 0.00 O ATOM 1349 CB HIS A 86 1.442 -0.828 -6.970 1.00 0.00 C ATOM 1350 CG HIS A 86 2.337 -1.700 -7.791 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.315 -3.032 -8.003 1.00 0.00 N flip ATOM 1352 CD2 HIS A 86 3.394 -1.215 -8.529 1.00 0.00 C flip ATOM 1353 CE1 HIS A 86 3.348 -3.330 -8.859 1.00 0.00 C flip ATOM 1354 NE2 HIS A 86 3.981 -2.212 -9.160 1.00 0.00 N flip ATOM 0 H HIS A 86 0.398 -2.497 -5.137 1.00 0.00 H new ATOM 0 HA HIS A 86 2.767 -0.735 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.406 -1.108 -7.162 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.559 0.204 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.695 -0.179 -8.582 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.600 -4.315 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 86 4.789 -2.133 -9.777 1.00 0.00 H new ATOM 1363 N VAL A 87 1.519 0.990 -3.962 1.00 0.00 N ATOM 1364 CA VAL A 87 0.811 2.042 -3.277 1.00 0.00 C ATOM 1365 C VAL A 87 0.858 3.291 -4.125 1.00 0.00 C ATOM 1366 O VAL A 87 1.906 3.910 -4.284 1.00 0.00 O ATOM 1367 CB VAL A 87 1.416 2.333 -1.893 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.686 3.481 -1.222 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.374 1.088 -1.025 1.00 0.00 C ATOM 0 H VAL A 87 2.521 0.951 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.219 1.720 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 87 2.458 2.624 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.128 3.672 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.770 4.376 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.366 3.222 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.806 1.310 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.340 0.766 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.946 0.292 -1.502 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.284 3.653 -4.659 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.384 4.765 -5.568 1.00 0.00 C ATOM 1381 C ILE A 88 -0.922 5.981 -4.847 1.00 0.00 C ATOM 1382 O ILE A 88 -1.866 5.886 -4.063 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.294 4.412 -6.761 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.687 3.248 -7.551 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.505 5.620 -7.654 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.550 2.769 -8.696 1.00 0.00 C ATOM 0 H ILE A 88 -1.170 3.183 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 88 0.613 4.990 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.269 4.106 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.283 3.554 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.507 2.415 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.150 5.347 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.973 6.420 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.543 5.963 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.053 1.944 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.511 2.430 -8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.709 3.587 -9.399 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.323 7.115 -5.115 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.714 8.338 -4.470 1.00 0.00 C ATOM 1400 C PHE A 89 -1.560 9.178 -5.407 1.00 0.00 C ATOM 1401 O PHE A 89 -1.075 9.671 -6.428 1.00 0.00 O ATOM 1402 CB PHE A 89 0.513 9.105 -4.017 1.00 0.00 C ATOM 1403 CG PHE A 89 1.225 8.385 -2.928 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.584 8.156 -1.725 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.509 7.908 -3.109 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.209 7.462 -0.720 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.143 7.217 -2.102 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.487 6.994 -0.909 1.00 0.00 C ATOM 0 H PHE A 89 0.443 7.214 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.313 8.099 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.187 9.250 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.219 10.095 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.419 8.527 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.018 8.078 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.699 7.284 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.149 6.851 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.981 6.448 -0.119 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.829 9.310 -5.074 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.739 10.115 -5.869 1.00 0.00 C ATOM 1420 C ASP A 90 -3.496 11.574 -5.572 1.00 0.00 C ATOM 1421 O ASP A 90 -3.743 12.031 -4.454 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.187 9.784 -5.532 1.00 0.00 C ATOM 1423 CG ASP A 90 -6.164 10.405 -6.508 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -6.290 9.884 -7.637 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.811 11.407 -6.151 1.00 0.00 O ATOM 0 H ASP A 90 -3.255 8.870 -4.258 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.561 9.902 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.318 8.702 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.412 10.134 -4.525 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.018 12.307 -6.552 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.768 13.708 -6.340 1.00 0.00 C ATOM 1432 C GLU A 91 -4.004 14.521 -6.676 1.00 0.00 C ATOM 1433 O GLU A 91 -4.416 14.626 -7.833 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.562 14.178 -7.158 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.589 13.745 -8.615 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.457 14.348 -9.414 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.643 15.452 -9.975 1.00 0.00 O ATOM 1438 OE2 GLU A 91 0.629 13.731 -9.478 1.00 0.00 O ATOM 0 H GLU A 91 -2.799 11.961 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.534 13.861 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.510 15.266 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.652 13.797 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.530 12.658 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.540 14.036 -9.061 1.00 0.00 H new ATOM 1445 N GLU A 92 -4.598 15.072 -5.641 1.00 0.00 N ATOM 1446 CA GLU A 92 -5.669 16.035 -5.789 1.00 0.00 C ATOM 1447 C GLU A 92 -5.093 17.441 -5.726 1.00 0.00 C ATOM 1448 O GLU A 92 -4.791 17.909 -4.608 1.00 0.00 O ATOM 1449 CB GLU A 92 -6.723 15.846 -4.697 1.00 0.00 C ATOM 1450 CG GLU A 92 -7.484 14.536 -4.799 1.00 0.00 C ATOM 1451 CD GLU A 92 -8.572 14.420 -3.751 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -9.617 15.090 -3.898 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -8.388 13.664 -2.773 1.00 0.00 O ATOM 1454 OXT GLU A 92 -4.915 18.059 -6.795 1.00 0.00 O ATOM 0 H GLU A 92 -4.353 14.866 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.152 15.882 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.237 15.898 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.433 16.672 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.928 14.452 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.788 13.704 -4.690 1.00 0.00 H new TER 1461 GLU A 92