USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 39 SER OG : rot 63:sc= -0.166! USER MOD Set 1.2: A 41 ASN : amide:sc= 0.847 K(o=0.68,f=-5.3!) USER MOD Single : A 1 ARG N :NH3+ -170:sc= -0.21 (180deg=-0.386) USER MOD Single : A 4 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.17) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.725 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 137:sc= -5.42! (180deg=-9.59!) USER MOD Single : A 25 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0286) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00911) USER MOD Single : A 36 SER OG : rot 21:sc= 0.538 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 49 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.3) USER MOD Single : A 50 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.1) USER MOD Single : A 53 SER OG : rot 35:sc= 0.15 USER MOD Single : A 57 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.53) USER MOD Single : A 61 SER OG : rot -160:sc= -0.15 USER MOD Single : A 62 SER OG : rot -148:sc= -0.704! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 65 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.12 K(o=-2.1,f=-1.2) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -173:sc= 0.374 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.741 K(o=-0.74,f=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc=-0.000683 X(o=-0.00068,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.672 6.799 1.544 1.00 0.00 N ATOM 2 CA ARG A 1 -19.940 6.093 1.859 1.00 0.00 C ATOM 3 C ARG A 1 -19.767 5.136 3.041 1.00 0.00 C ATOM 4 O ARG A 1 -20.374 5.328 4.095 1.00 0.00 O ATOM 5 CB ARG A 1 -20.389 5.325 0.613 1.00 0.00 C ATOM 6 CG ARG A 1 -21.769 4.689 0.745 1.00 0.00 C ATOM 7 CD ARG A 1 -21.856 3.350 0.025 1.00 0.00 C ATOM 8 NE ARG A 1 -22.879 2.478 0.610 1.00 0.00 N ATOM 9 CZ ARG A 1 -22.940 1.150 0.441 1.00 0.00 C ATOM 10 NH1 ARG A 1 -22.049 0.500 -0.310 1.00 0.00 N ATOM 11 NH2 ARG A 1 -23.910 0.465 1.029 1.00 0.00 N ATOM 0 H1 ARG A 1 -18.858 7.558 0.857 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.278 7.209 2.415 1.00 0.00 H new ATOM 0 H3 ARG A 1 -17.991 6.125 1.139 1.00 0.00 H new ATOM 0 HA ARG A 1 -20.696 6.824 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.393 6.004 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.659 4.545 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.003 4.548 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -22.520 5.367 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -22.082 3.518 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -20.887 2.852 0.067 1.00 0.00 H new ATOM 0 HE ARG A 1 -23.597 2.914 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -21.299 1.015 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -22.118 -0.511 -0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -24.600 0.949 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -23.966 -0.546 0.907 1.00 0.00 H new ATOM 27 N VAL A 2 -18.941 4.103 2.849 1.00 0.00 N ATOM 28 CA VAL A 2 -18.687 3.104 3.889 1.00 0.00 C ATOM 29 C VAL A 2 -17.381 2.350 3.604 1.00 0.00 C ATOM 30 O VAL A 2 -17.354 1.114 3.535 1.00 0.00 O ATOM 31 CB VAL A 2 -19.861 2.090 4.026 1.00 0.00 C ATOM 32 CG1 VAL A 2 -20.982 2.680 4.869 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.381 1.638 2.659 1.00 0.00 C ATOM 0 H VAL A 2 -18.435 3.937 1.979 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.598 3.642 4.833 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.477 1.205 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.793 1.957 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.603 2.918 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -21.354 3.589 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.199 0.931 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.739 2.504 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.575 1.157 2.104 1.00 0.00 H new ATOM 43 N LEU A 3 -16.293 3.105 3.429 1.00 0.00 N ATOM 44 CA LEU A 3 -14.985 2.512 3.140 1.00 0.00 C ATOM 45 C LEU A 3 -13.847 3.375 3.682 1.00 0.00 C ATOM 46 O LEU A 3 -13.361 4.273 2.993 1.00 0.00 O ATOM 47 CB LEU A 3 -14.790 2.277 1.620 1.00 0.00 C ATOM 48 CG LEU A 3 -15.611 3.194 0.682 1.00 0.00 C ATOM 49 CD1 LEU A 3 -14.774 3.673 -0.495 1.00 0.00 C ATOM 50 CD2 LEU A 3 -16.865 2.480 0.188 1.00 0.00 C ATOM 0 H LEU A 3 -16.292 4.124 3.482 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.959 1.547 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.733 2.403 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.044 1.241 1.397 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.914 4.068 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.380 4.315 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.915 4.234 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.427 2.813 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.426 3.144 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.580 1.582 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.486 2.203 1.040 1.00 0.00 H new ATOM 62 N GLN A 4 -13.402 3.068 4.902 1.00 0.00 N ATOM 63 CA GLN A 4 -12.289 3.783 5.513 1.00 0.00 C ATOM 64 C GLN A 4 -11.002 3.034 5.198 1.00 0.00 C ATOM 65 O GLN A 4 -11.035 1.813 5.041 1.00 0.00 O ATOM 66 CB GLN A 4 -12.479 3.887 7.025 1.00 0.00 C ATOM 67 CG GLN A 4 -11.483 4.817 7.695 1.00 0.00 C ATOM 68 CD GLN A 4 -11.690 6.268 7.303 1.00 0.00 C ATOM 69 OE1 GLN A 4 -10.789 6.909 6.762 1.00 0.00 O ATOM 70 NE2 GLN A 4 -12.883 6.799 7.571 1.00 0.00 N ATOM 0 H GLN A 4 -13.798 2.329 5.483 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.242 4.795 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.490 4.238 7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.390 2.893 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.571 4.720 8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.471 4.513 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.603 6.234 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.075 7.770 7.326 1.00 0.00 H new ATOM 79 N VAL A 5 -9.881 3.755 5.092 1.00 0.00 N ATOM 80 CA VAL A 5 -8.590 3.121 4.781 1.00 0.00 C ATOM 81 C VAL A 5 -7.449 3.812 5.526 1.00 0.00 C ATOM 82 O VAL A 5 -7.488 5.025 5.741 1.00 0.00 O ATOM 83 CB VAL A 5 -8.264 3.114 3.253 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.341 1.955 2.929 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.519 3.034 2.378 1.00 0.00 C ATOM 0 H VAL A 5 -9.838 4.767 5.215 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.682 2.086 5.110 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.775 4.062 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.117 1.955 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.415 2.059 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.827 1.017 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.230 3.033 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.064 2.118 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.157 3.895 2.578 1.00 0.00 H new ATOM 95 N ASP A 6 -6.431 3.029 5.915 1.00 0.00 N ATOM 96 CA ASP A 6 -5.275 3.565 6.635 1.00 0.00 C ATOM 97 C ASP A 6 -4.085 2.611 6.530 1.00 0.00 C ATOM 98 O ASP A 6 -4.234 1.405 6.742 1.00 0.00 O ATOM 99 CB ASP A 6 -5.628 3.798 8.110 1.00 0.00 C ATOM 100 CG ASP A 6 -6.383 5.094 8.332 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.025 6.107 7.697 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.334 5.095 9.142 1.00 0.00 O ATOM 0 H ASP A 6 -6.389 2.025 5.741 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.001 4.517 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.230 2.965 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.712 3.810 8.701 1.00 0.00 H new ATOM 107 N ILE A 7 -2.902 3.157 6.212 1.00 0.00 N ATOM 108 CA ILE A 7 -1.683 2.350 6.092 1.00 0.00 C ATOM 109 C ILE A 7 -0.845 2.467 7.366 1.00 0.00 C ATOM 110 O ILE A 7 -0.496 3.573 7.786 1.00 0.00 O ATOM 111 CB ILE A 7 -0.818 2.755 4.865 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.684 2.842 3.602 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.323 1.756 4.661 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.944 3.366 2.386 1.00 0.00 C ATOM 0 H ILE A 7 -2.766 4.152 6.034 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.001 1.318 5.946 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.388 3.738 5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.080 1.852 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.538 3.489 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.918 2.055 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.955 1.739 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.090 0.762 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.622 3.399 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.571 4.369 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.106 2.707 2.158 1.00 0.00 H new ATOM 126 N VAL A 8 -0.533 1.319 7.982 1.00 0.00 N ATOM 127 CA VAL A 8 0.258 1.288 9.217 1.00 0.00 C ATOM 128 C VAL A 8 1.677 0.744 8.940 1.00 0.00 C ATOM 129 O VAL A 8 1.810 -0.324 8.345 1.00 0.00 O ATOM 130 CB VAL A 8 -0.428 0.397 10.283 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.305 0.461 11.622 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.890 0.789 10.468 1.00 0.00 C ATOM 0 H VAL A 8 -0.817 0.399 7.644 1.00 0.00 H new ATOM 0 HA VAL A 8 0.329 2.309 9.592 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.385 -0.630 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.204 -0.176 12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.331 0.116 11.492 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.312 1.489 11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.346 0.147 11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.950 1.828 10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.420 0.672 9.523 1.00 0.00 H new ATOM 142 N PRO A 9 2.770 1.446 9.360 1.00 0.00 N ATOM 143 CA PRO A 9 2.728 2.734 10.081 1.00 0.00 C ATOM 144 C PRO A 9 2.490 3.917 9.143 1.00 0.00 C ATOM 145 O PRO A 9 2.242 3.731 7.949 1.00 0.00 O ATOM 146 CB PRO A 9 4.124 2.818 10.696 1.00 0.00 C ATOM 147 CG PRO A 9 4.994 2.132 9.702 1.00 0.00 C ATOM 148 CD PRO A 9 4.167 1.003 9.145 1.00 0.00 C ATOM 0 HA PRO A 9 1.914 2.779 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.431 3.852 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.163 2.326 11.668 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.302 2.818 8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.903 1.756 10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.376 0.838 8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.373 0.065 9.660 1.00 0.00 H new ATOM 156 N SER A 10 2.584 5.134 9.691 1.00 0.00 N ATOM 157 CA SER A 10 2.397 6.352 8.905 1.00 0.00 C ATOM 158 C SER A 10 3.661 6.656 8.109 1.00 0.00 C ATOM 159 O SER A 10 3.605 6.907 6.904 1.00 0.00 O ATOM 160 CB SER A 10 2.064 7.535 9.818 1.00 0.00 C ATOM 161 OG SER A 10 2.860 7.511 10.991 1.00 0.00 O ATOM 0 H SER A 10 2.789 5.298 10.677 1.00 0.00 H new ATOM 0 HA SER A 10 1.566 6.196 8.217 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.228 8.470 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.009 7.504 10.089 1.00 0.00 H new ATOM 0 HG SER A 10 2.631 8.277 11.558 1.00 0.00 H new ATOM 167 N GLN A 11 4.806 6.621 8.799 1.00 0.00 N ATOM 168 CA GLN A 11 6.106 6.880 8.180 1.00 0.00 C ATOM 169 C GLN A 11 7.099 5.796 8.586 1.00 0.00 C ATOM 170 O GLN A 11 7.470 5.696 9.758 1.00 0.00 O ATOM 171 CB GLN A 11 6.633 8.260 8.590 1.00 0.00 C ATOM 172 CG GLN A 11 6.585 8.522 10.090 1.00 0.00 C ATOM 173 CD GLN A 11 6.994 9.941 10.449 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.173 10.733 10.913 1.00 0.00 O ATOM 175 NE2 GLN A 11 8.266 10.272 10.240 1.00 0.00 N ATOM 0 H GLN A 11 4.856 6.413 9.796 1.00 0.00 H new ATOM 0 HA GLN A 11 5.986 6.866 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.663 8.361 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.050 9.026 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.575 8.335 10.455 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.243 7.818 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.915 9.586 9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.592 11.212 10.466 1.00 0.00 H new ATOM 184 N GLY A 12 7.510 4.972 7.612 1.00 0.00 N ATOM 185 CA GLY A 12 8.443 3.885 7.884 1.00 0.00 C ATOM 186 C GLY A 12 9.823 4.126 7.301 1.00 0.00 C ATOM 187 O GLY A 12 10.012 4.018 6.086 1.00 0.00 O ATOM 0 H GLY A 12 7.211 5.041 6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.529 3.749 8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.040 2.958 7.477 1.00 0.00 H new ATOM 191 N GLU A 13 10.794 4.431 8.170 1.00 0.00 N ATOM 192 CA GLU A 13 12.171 4.661 7.740 1.00 0.00 C ATOM 193 C GLU A 13 12.923 3.331 7.722 1.00 0.00 C ATOM 194 O GLU A 13 12.828 2.553 8.672 1.00 0.00 O ATOM 195 CB GLU A 13 12.868 5.657 8.670 1.00 0.00 C ATOM 196 CG GLU A 13 12.541 7.108 8.359 1.00 0.00 C ATOM 197 CD GLU A 13 12.693 8.016 9.566 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.710 8.168 10.320 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.794 8.574 9.755 1.00 0.00 O ATOM 0 H GLU A 13 10.648 4.523 9.175 1.00 0.00 H new ATOM 0 HA GLU A 13 12.165 5.086 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.583 5.441 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.946 5.513 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.194 7.460 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.519 7.174 7.987 1.00 0.00 H new ATOM 206 N ILE A 14 13.645 3.064 6.630 1.00 0.00 N ATOM 207 CA ILE A 14 14.386 1.810 6.478 1.00 0.00 C ATOM 208 C ILE A 14 15.693 2.042 5.705 1.00 0.00 C ATOM 209 O ILE A 14 15.855 3.063 5.042 1.00 0.00 O ATOM 210 CB ILE A 14 13.475 0.752 5.763 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.316 0.353 6.694 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.237 -0.497 5.297 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.066 1.183 6.497 1.00 0.00 C ATOM 0 H ILE A 14 13.732 3.701 5.838 1.00 0.00 H new ATOM 0 HA ILE A 14 14.657 1.427 7.462 1.00 0.00 H new ATOM 0 HB ILE A 14 13.089 1.226 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.074 -0.697 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.644 0.446 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.545 -1.185 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.015 -0.206 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.693 -0.987 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.292 0.845 7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.291 2.232 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.713 1.071 5.472 1.00 0.00 H new ATOM 225 N SER A 15 16.618 1.080 5.801 1.00 0.00 N ATOM 226 CA SER A 15 17.903 1.161 5.108 1.00 0.00 C ATOM 227 C SER A 15 17.892 0.269 3.863 1.00 0.00 C ATOM 228 O SER A 15 17.156 -0.723 3.804 1.00 0.00 O ATOM 229 CB SER A 15 19.051 0.753 6.042 1.00 0.00 C ATOM 230 OG SER A 15 18.609 -0.129 7.061 1.00 0.00 O ATOM 0 H SER A 15 16.496 0.233 6.356 1.00 0.00 H new ATOM 0 HA SER A 15 18.061 2.194 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.839 0.273 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.486 1.644 6.495 1.00 0.00 H new ATOM 0 HG SER A 15 19.365 -0.370 7.636 1.00 0.00 H new ATOM 236 N VAL A 16 18.727 0.619 2.876 1.00 0.00 N ATOM 237 CA VAL A 16 18.831 -0.152 1.629 1.00 0.00 C ATOM 238 C VAL A 16 19.302 -1.578 1.926 1.00 0.00 C ATOM 239 O VAL A 16 20.195 -1.785 2.752 1.00 0.00 O ATOM 240 CB VAL A 16 19.782 0.533 0.608 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.817 -0.212 -0.727 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.364 1.981 0.385 1.00 0.00 C ATOM 0 H VAL A 16 19.341 1.432 2.917 1.00 0.00 H new ATOM 0 HA VAL A 16 17.839 -0.191 1.178 1.00 0.00 H new ATOM 0 HB VAL A 16 20.787 0.507 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.493 0.300 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.167 -1.232 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.816 -0.236 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.039 2.448 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.346 2.010 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.408 2.522 1.330 1.00 0.00 H new ATOM 252 N GLY A 17 18.658 -2.550 1.275 1.00 0.00 N ATOM 253 CA GLY A 17 18.978 -3.952 1.508 1.00 0.00 C ATOM 254 C GLY A 17 18.078 -4.587 2.568 1.00 0.00 C ATOM 255 O GLY A 17 18.136 -5.800 2.781 1.00 0.00 O ATOM 0 H GLY A 17 17.920 -2.390 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.880 -4.504 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.019 -4.037 1.821 1.00 0.00 H new ATOM 259 N GLU A 18 17.235 -3.771 3.232 1.00 0.00 N ATOM 260 CA GLU A 18 16.317 -4.255 4.258 1.00 0.00 C ATOM 261 C GLU A 18 14.906 -4.304 3.688 1.00 0.00 C ATOM 262 O GLU A 18 14.620 -3.617 2.711 1.00 0.00 O ATOM 263 CB GLU A 18 16.350 -3.327 5.474 1.00 0.00 C ATOM 264 CG GLU A 18 17.742 -3.004 5.981 1.00 0.00 C ATOM 265 CD GLU A 18 18.418 -4.188 6.641 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.978 -5.035 5.914 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.386 -4.271 7.887 1.00 0.00 O ATOM 0 H GLU A 18 17.179 -2.766 3.067 1.00 0.00 H new ATOM 0 HA GLU A 18 16.621 -5.254 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.845 -2.396 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.780 -3.787 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.356 -2.659 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.682 -2.182 6.694 1.00 0.00 H new ATOM 274 N SER A 19 14.027 -5.112 4.287 1.00 0.00 N ATOM 275 CA SER A 19 12.644 -5.237 3.809 1.00 0.00 C ATOM 276 C SER A 19 11.674 -4.428 4.674 1.00 0.00 C ATOM 277 O SER A 19 11.912 -4.230 5.867 1.00 0.00 O ATOM 278 CB SER A 19 12.235 -6.709 3.752 1.00 0.00 C ATOM 279 OG SER A 19 12.438 -7.348 5.001 1.00 0.00 O ATOM 0 H SER A 19 14.245 -5.688 5.100 1.00 0.00 H new ATOM 0 HA SER A 19 12.596 -4.824 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.186 -6.786 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.813 -7.220 2.982 1.00 0.00 H new ATOM 0 HG SER A 19 12.166 -8.287 4.936 1.00 0.00 H new ATOM 285 N LYS A 20 10.589 -3.947 4.050 1.00 0.00 N ATOM 286 CA LYS A 20 9.587 -3.138 4.741 1.00 0.00 C ATOM 287 C LYS A 20 8.194 -3.373 4.180 1.00 0.00 C ATOM 288 O LYS A 20 7.945 -3.094 3.007 1.00 0.00 O ATOM 289 CB LYS A 20 9.927 -1.648 4.606 1.00 0.00 C ATOM 290 CG LYS A 20 10.093 -1.166 3.156 1.00 0.00 C ATOM 291 CD LYS A 20 11.511 -0.684 2.842 1.00 0.00 C ATOM 292 CE LYS A 20 11.523 0.619 2.046 1.00 0.00 C ATOM 293 NZ LYS A 20 10.779 0.530 0.733 1.00 0.00 N ATOM 0 H LYS A 20 10.387 -4.108 3.063 1.00 0.00 H new ATOM 0 HA LYS A 20 9.597 -3.435 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.141 -1.063 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.849 -1.447 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.833 -1.979 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.390 -0.355 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.058 -0.541 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.037 -1.455 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.081 1.410 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.556 0.907 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.205 1.387 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.461 0.446 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.158 -0.304 0.742 1.00 0.00 H new ATOM 307 N PHE A 21 7.271 -3.856 5.024 1.00 0.00 N ATOM 308 CA PHE A 21 5.890 -4.084 4.595 1.00 0.00 C ATOM 309 C PHE A 21 4.944 -3.140 5.319 1.00 0.00 C ATOM 310 O PHE A 21 5.190 -2.760 6.466 1.00 0.00 O ATOM 311 CB PHE A 21 5.460 -5.545 4.796 1.00 0.00 C ATOM 312 CG PHE A 21 5.428 -6.004 6.228 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.393 -5.628 7.077 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.435 -6.814 6.718 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.373 -6.055 8.390 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.420 -7.244 8.031 1.00 0.00 C ATOM 317 CZ PHE A 21 5.388 -6.863 8.869 1.00 0.00 C ATOM 0 H PHE A 21 7.456 -4.094 5.998 1.00 0.00 H new ATOM 0 HA PHE A 21 5.841 -3.877 3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.468 -5.679 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.140 -6.189 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.599 -4.997 6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.243 -7.114 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.565 -5.758 9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.213 -7.877 8.402 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.375 -7.196 9.896 1.00 0.00 H new ATOM 327 N PHE A 22 3.866 -2.758 4.633 1.00 0.00 N ATOM 328 CA PHE A 22 2.874 -1.844 5.190 1.00 0.00 C ATOM 329 C PHE A 22 1.485 -2.465 5.104 1.00 0.00 C ATOM 330 O PHE A 22 1.194 -3.224 4.186 1.00 0.00 O ATOM 331 CB PHE A 22 2.962 -0.498 4.471 1.00 0.00 C ATOM 332 CG PHE A 22 4.343 0.094 4.558 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.346 -0.328 3.700 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.648 1.031 5.531 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.627 0.178 3.810 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.926 1.547 5.642 1.00 0.00 C ATOM 337 CZ PHE A 22 6.918 1.116 4.781 1.00 0.00 C ATOM 0 H PHE A 22 3.659 -3.071 3.685 1.00 0.00 H new ATOM 0 HA PHE A 22 3.076 -1.666 6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.687 -0.627 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.242 0.194 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.124 -1.060 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.878 1.363 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.401 -0.160 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.149 2.284 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.919 1.512 4.868 1.00 0.00 H new ATOM 347 N LEU A 23 0.657 -2.192 6.110 1.00 0.00 N ATOM 348 CA LEU A 23 -0.680 -2.777 6.206 1.00 0.00 C ATOM 349 C LEU A 23 -1.795 -1.833 5.744 1.00 0.00 C ATOM 350 O LEU A 23 -2.124 -0.873 6.439 1.00 0.00 O ATOM 351 CB LEU A 23 -0.911 -3.167 7.675 1.00 0.00 C ATOM 352 CG LEU A 23 -1.866 -4.337 7.956 1.00 0.00 C ATOM 353 CD1 LEU A 23 -3.146 -4.247 7.128 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.160 -5.678 7.745 1.00 0.00 C ATOM 0 H LEU A 23 0.891 -1.563 6.878 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.721 -3.639 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.056 -3.409 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.289 -2.290 8.200 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.163 -4.269 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.790 -5.095 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.668 -3.320 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.895 -4.262 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.856 -6.492 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.813 -5.748 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.308 -5.751 8.421 1.00 0.00 H new ATOM 366 N CYS A 24 -2.410 -2.152 4.598 1.00 0.00 N ATOM 367 CA CYS A 24 -3.530 -1.371 4.073 1.00 0.00 C ATOM 368 C CYS A 24 -4.820 -1.919 4.686 1.00 0.00 C ATOM 369 O CYS A 24 -5.468 -2.797 4.110 1.00 0.00 O ATOM 370 CB CYS A 24 -3.564 -1.446 2.533 1.00 0.00 C ATOM 371 SG CYS A 24 -4.982 -0.609 1.728 1.00 0.00 S ATOM 0 H CYS A 24 -2.147 -2.949 4.017 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.419 -0.320 4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.642 -1.012 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.570 -2.495 2.239 1.00 0.00 H new ATOM 376 N GLN A 25 -5.168 -1.412 5.876 1.00 0.00 N ATOM 377 CA GLN A 25 -6.364 -1.869 6.590 1.00 0.00 C ATOM 378 C GLN A 25 -7.565 -1.004 6.250 1.00 0.00 C ATOM 379 O GLN A 25 -7.413 0.103 5.730 1.00 0.00 O ATOM 380 CB GLN A 25 -6.135 -1.904 8.110 1.00 0.00 C ATOM 381 CG GLN A 25 -5.484 -0.658 8.697 1.00 0.00 C ATOM 382 CD GLN A 25 -5.224 -0.799 10.187 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.707 0.000 10.989 1.00 0.00 O ATOM 384 NE2 GLN A 25 -4.456 -1.820 10.566 1.00 0.00 N ATOM 0 H GLN A 25 -4.639 -0.688 6.362 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.570 -2.887 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.095 -2.059 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.512 -2.766 8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.543 -0.464 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.128 0.204 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.076 -2.459 9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.248 -1.963 11.554 1.00 0.00 H new ATOM 393 N VAL A 26 -8.768 -1.528 6.522 1.00 0.00 N ATOM 394 CA VAL A 26 -10.003 -0.816 6.217 1.00 0.00 C ATOM 395 C VAL A 26 -10.925 -0.701 7.432 1.00 0.00 C ATOM 396 O VAL A 26 -10.640 -1.260 8.493 1.00 0.00 O ATOM 397 CB VAL A 26 -10.756 -1.513 5.060 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.911 -1.477 3.794 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.126 -2.959 5.417 1.00 0.00 C ATOM 0 H VAL A 26 -8.905 -2.442 6.953 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.720 0.193 5.919 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.685 -0.970 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.448 -1.970 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.711 -0.441 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.968 -1.994 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.654 -3.417 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.219 -3.525 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.769 -2.963 6.297 1.00 0.00 H new ATOM 409 N ALA A 27 -12.035 0.021 7.255 1.00 0.00 N ATOM 410 CA ALA A 27 -13.016 0.206 8.319 1.00 0.00 C ATOM 411 C ALA A 27 -14.343 0.713 7.750 1.00 0.00 C ATOM 412 O ALA A 27 -14.495 1.911 7.487 1.00 0.00 O ATOM 413 CB ALA A 27 -12.473 1.152 9.388 1.00 0.00 C ATOM 0 H ALA A 27 -12.274 0.487 6.380 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.204 -0.759 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.218 1.279 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.562 0.733 9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.251 2.120 8.939 1.00 0.00 H new ATOM 419 N GLY A 28 -15.293 -0.212 7.553 1.00 0.00 N ATOM 420 CA GLY A 28 -16.594 0.148 7.009 1.00 0.00 C ATOM 421 C GLY A 28 -17.539 -1.038 6.909 1.00 0.00 C ATOM 422 O GLY A 28 -17.529 -1.916 7.775 1.00 0.00 O ATOM 0 H GLY A 28 -15.179 -1.204 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.046 0.915 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.461 0.585 6.019 1.00 0.00 H new ATOM 426 N ASP A 29 -18.358 -1.061 5.851 1.00 0.00 N ATOM 427 CA ASP A 29 -19.318 -2.144 5.641 1.00 0.00 C ATOM 428 C ASP A 29 -19.816 -2.184 4.186 1.00 0.00 C ATOM 429 O ASP A 29 -20.960 -2.571 3.923 1.00 0.00 O ATOM 430 CB ASP A 29 -20.500 -1.988 6.604 1.00 0.00 C ATOM 431 CG ASP A 29 -21.282 -3.277 6.776 1.00 0.00 C ATOM 432 OD1 ASP A 29 -20.649 -4.333 6.985 1.00 0.00 O ATOM 433 OD2 ASP A 29 -22.527 -3.230 6.701 1.00 0.00 O ATOM 0 H ASP A 29 -18.373 -0.341 5.129 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.811 -3.088 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.132 -1.657 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.166 -1.209 6.233 1.00 0.00 H new ATOM 438 N ALA A 30 -18.949 -1.797 3.243 1.00 0.00 N ATOM 439 CA ALA A 30 -19.301 -1.803 1.822 1.00 0.00 C ATOM 440 C ALA A 30 -19.245 -3.231 1.264 1.00 0.00 C ATOM 441 O ALA A 30 -19.179 -4.192 2.033 1.00 0.00 O ATOM 442 CB ALA A 30 -18.384 -0.865 1.045 1.00 0.00 C ATOM 0 H ALA A 30 -18.001 -1.477 3.440 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.323 -1.441 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.658 -0.880 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.488 0.149 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.350 -1.192 1.156 1.00 0.00 H new ATOM 448 N LYS A 31 -19.285 -3.370 -0.071 1.00 0.00 N ATOM 449 CA LYS A 31 -19.253 -4.691 -0.716 1.00 0.00 C ATOM 450 C LYS A 31 -18.239 -4.761 -1.860 1.00 0.00 C ATOM 451 O LYS A 31 -17.534 -5.762 -2.009 1.00 0.00 O ATOM 452 CB LYS A 31 -20.646 -5.053 -1.241 1.00 0.00 C ATOM 453 CG LYS A 31 -21.744 -4.955 -0.187 1.00 0.00 C ATOM 454 CD LYS A 31 -22.403 -3.580 -0.174 1.00 0.00 C ATOM 455 CE LYS A 31 -23.555 -3.498 -1.166 1.00 0.00 C ATOM 456 NZ LYS A 31 -24.542 -2.448 -0.789 1.00 0.00 N ATOM 0 H LYS A 31 -19.339 -2.587 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.941 -5.409 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.894 -4.394 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.623 -6.069 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.499 -5.717 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.322 -5.164 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.770 -3.362 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.661 -2.819 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.163 -3.286 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -24.056 -4.464 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.351 -2.482 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.873 -2.616 0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.092 -1.512 -0.845 1.00 0.00 H new ATOM 470 N ASP A 32 -18.192 -3.710 -2.673 1.00 0.00 N ATOM 471 CA ASP A 32 -17.287 -3.655 -3.826 1.00 0.00 C ATOM 472 C ASP A 32 -15.822 -3.469 -3.407 1.00 0.00 C ATOM 473 O ASP A 32 -14.933 -3.985 -4.080 1.00 0.00 O ATOM 474 CB ASP A 32 -17.718 -2.525 -4.783 1.00 0.00 C ATOM 475 CG ASP A 32 -17.989 -3.014 -6.196 1.00 0.00 C ATOM 476 OD1 ASP A 32 -18.779 -3.969 -6.352 1.00 0.00 O ATOM 477 OD2 ASP A 32 -17.410 -2.441 -7.142 1.00 0.00 O ATOM 0 H ASP A 32 -18.772 -2.879 -2.557 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.355 -4.613 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.616 -2.048 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.939 -1.763 -4.811 1.00 0.00 H new ATOM 482 N LYS A 33 -15.600 -2.707 -2.306 1.00 0.00 N ATOM 483 CA LYS A 33 -14.254 -2.381 -1.736 1.00 0.00 C ATOM 484 C LYS A 33 -13.071 -3.170 -2.347 1.00 0.00 C ATOM 485 O LYS A 33 -12.618 -4.172 -1.792 1.00 0.00 O ATOM 486 CB LYS A 33 -14.289 -2.555 -0.209 1.00 0.00 C ATOM 487 CG LYS A 33 -14.833 -1.328 0.517 1.00 0.00 C ATOM 488 CD LYS A 33 -15.269 -1.647 1.946 1.00 0.00 C ATOM 489 CE LYS A 33 -14.145 -1.413 2.942 1.00 0.00 C ATOM 490 NZ LYS A 33 -14.394 -2.101 4.240 1.00 0.00 N ATOM 0 H LYS A 33 -16.364 -2.290 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.060 -1.343 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.904 -3.420 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.282 -2.767 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.068 -0.552 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.681 -0.926 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.126 -1.028 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.596 -2.685 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.206 -1.768 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.032 -0.343 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.676 -1.807 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.339 -1.846 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.342 -3.131 4.103 1.00 0.00 H new ATOM 504 N ASP A 34 -12.590 -2.691 -3.506 1.00 0.00 N ATOM 505 CA ASP A 34 -11.478 -3.313 -4.223 1.00 0.00 C ATOM 506 C ASP A 34 -10.174 -2.589 -3.909 1.00 0.00 C ATOM 507 O ASP A 34 -10.031 -1.411 -4.235 1.00 0.00 O ATOM 508 CB ASP A 34 -11.741 -3.258 -5.730 1.00 0.00 C ATOM 509 CG ASP A 34 -10.771 -4.113 -6.526 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.557 -4.065 -6.234 1.00 0.00 O ATOM 511 OD2 ASP A 34 -11.225 -4.829 -7.442 1.00 0.00 O ATOM 0 H ASP A 34 -12.965 -1.862 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.393 -4.352 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.760 -3.590 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.671 -2.225 -6.069 1.00 0.00 H new ATOM 516 N ILE A 35 -9.234 -3.300 -3.274 1.00 0.00 N ATOM 517 CA ILE A 35 -7.936 -2.728 -2.899 1.00 0.00 C ATOM 518 C ILE A 35 -6.996 -2.579 -4.108 1.00 0.00 C ATOM 519 O ILE A 35 -7.118 -3.292 -5.105 1.00 0.00 O ATOM 520 CB ILE A 35 -7.231 -3.592 -1.806 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.159 -3.815 -0.597 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.912 -2.956 -1.348 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.993 -5.079 -0.680 1.00 0.00 C ATOM 0 H ILE A 35 -9.350 -4.278 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.144 -1.736 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.003 -4.558 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.555 -3.850 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.826 -2.958 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.450 -3.585 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.238 -2.862 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.110 -1.968 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.618 -5.161 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.626 -5.040 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.335 -5.946 -0.742 1.00 0.00 H new ATOM 535 N SER A 36 -6.041 -1.650 -3.976 1.00 0.00 N ATOM 536 CA SER A 36 -5.037 -1.384 -5.006 1.00 0.00 C ATOM 537 C SER A 36 -3.812 -0.718 -4.367 1.00 0.00 C ATOM 538 O SER A 36 -3.903 -0.217 -3.246 1.00 0.00 O ATOM 539 CB SER A 36 -5.616 -0.487 -6.103 1.00 0.00 C ATOM 540 OG SER A 36 -6.390 -1.240 -7.022 1.00 0.00 O ATOM 0 H SER A 36 -5.945 -1.062 -3.148 1.00 0.00 H new ATOM 0 HA SER A 36 -4.738 -2.328 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.234 0.290 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.806 0.016 -6.631 1.00 0.00 H new ATOM 0 HG SER A 36 -6.664 -2.083 -6.605 1.00 0.00 H new ATOM 546 N TRP A 37 -2.675 -0.719 -5.068 1.00 0.00 N ATOM 547 CA TRP A 37 -1.439 -0.111 -4.550 1.00 0.00 C ATOM 548 C TRP A 37 -0.756 0.718 -5.633 1.00 0.00 C ATOM 549 O TRP A 37 -0.563 0.235 -6.746 1.00 0.00 O ATOM 550 CB TRP A 37 -0.477 -1.201 -4.048 1.00 0.00 C ATOM 551 CG TRP A 37 -0.708 -1.604 -2.614 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.462 -2.658 -2.194 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.205 -0.973 -1.416 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.476 -2.722 -0.825 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.715 -1.704 -0.322 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.619 0.132 -1.154 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.435 -1.368 1.001 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.893 0.466 0.166 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.367 -0.279 1.225 1.00 0.00 C ATOM 0 H TRP A 37 -2.581 -1.133 -5.996 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.703 0.543 -3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.577 -2.081 -4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.548 -0.845 -4.155 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.976 -3.346 -2.848 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.974 -3.418 -0.270 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.033 0.713 -1.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.836 -1.945 1.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.524 1.317 0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.597 0.009 2.240 1.00 0.00 H new ATOM 570 N PHE A 38 -0.388 1.967 -5.310 1.00 0.00 N ATOM 571 CA PHE A 38 0.275 2.844 -6.282 1.00 0.00 C ATOM 572 C PHE A 38 1.598 3.397 -5.761 1.00 0.00 C ATOM 573 O PHE A 38 1.615 4.213 -4.838 1.00 0.00 O ATOM 574 CB PHE A 38 -0.639 4.006 -6.678 1.00 0.00 C ATOM 575 CG PHE A 38 -1.936 3.572 -7.299 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.043 3.313 -6.509 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.047 3.423 -8.672 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.237 2.911 -7.077 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.237 3.021 -9.246 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.334 2.763 -8.447 1.00 0.00 C ATOM 0 H PHE A 38 -0.537 2.388 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 38 0.488 2.229 -7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.853 4.606 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.109 4.651 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.973 3.426 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.192 3.624 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.094 2.713 -6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.310 2.909 -10.318 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.265 2.446 -8.892 1.00 0.00 H new ATOM 590 N SER A 39 2.710 2.966 -6.384 1.00 0.00 N ATOM 591 CA SER A 39 4.043 3.431 -6.012 1.00 0.00 C ATOM 592 C SER A 39 4.147 4.960 -6.125 1.00 0.00 C ATOM 593 O SER A 39 3.382 5.573 -6.902 1.00 0.00 O ATOM 594 CB SER A 39 5.122 2.782 -6.879 1.00 0.00 C ATOM 595 OG SER A 39 4.727 2.735 -8.240 1.00 0.00 O ATOM 0 H SER A 39 2.703 2.293 -7.150 1.00 0.00 H new ATOM 0 HA SER A 39 4.205 3.139 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.052 3.343 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.322 1.772 -6.520 1.00 0.00 H new ATOM 0 HG SER A 39 4.619 3.647 -8.581 1.00 0.00 H new ATOM 601 N PRO A 40 5.091 5.578 -5.336 1.00 0.00 N ATOM 602 CA PRO A 40 5.316 7.044 -5.281 1.00 0.00 C ATOM 603 C PRO A 40 5.543 7.740 -6.623 1.00 0.00 C ATOM 604 O PRO A 40 5.433 8.968 -6.695 1.00 0.00 O ATOM 605 CB PRO A 40 6.568 7.179 -4.408 1.00 0.00 C ATOM 606 CG PRO A 40 6.550 5.973 -3.547 1.00 0.00 C ATOM 607 CD PRO A 40 6.016 4.875 -4.404 1.00 0.00 C ATOM 0 HA PRO A 40 4.419 7.533 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.473 7.220 -5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.541 8.092 -3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.550 5.736 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.921 6.127 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.813 4.362 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.494 4.122 -3.813 1.00 0.00 H new ATOM 615 N ASN A 41 5.843 6.980 -7.678 1.00 0.00 N ATOM 616 CA ASN A 41 6.061 7.574 -9.000 1.00 0.00 C ATOM 617 C ASN A 41 4.735 7.932 -9.699 1.00 0.00 C ATOM 618 O ASN A 41 4.752 8.426 -10.830 1.00 0.00 O ATOM 619 CB ASN A 41 6.884 6.627 -9.884 1.00 0.00 C ATOM 620 CG ASN A 41 6.226 5.270 -10.099 1.00 0.00 C ATOM 621 OD1 ASN A 41 5.197 4.957 -9.496 1.00 0.00 O ATOM 622 ND2 ASN A 41 6.819 4.451 -10.966 1.00 0.00 N ATOM 0 H ASN A 41 5.940 5.965 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 41 6.616 8.500 -8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.050 7.099 -10.852 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.864 6.479 -9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.423 3.529 -11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.670 4.745 -11.446 1.00 0.00 H new ATOM 629 N GLY A 42 3.594 7.683 -9.029 1.00 0.00 N ATOM 630 CA GLY A 42 2.306 7.982 -9.596 1.00 0.00 C ATOM 631 C GLY A 42 1.821 6.861 -10.472 1.00 0.00 C ATOM 632 O GLY A 42 1.303 7.110 -11.566 1.00 0.00 O ATOM 0 H GLY A 42 3.559 7.275 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.587 8.159 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.367 8.901 -10.179 1.00 0.00 H new ATOM 636 N GLU A 43 1.996 5.615 -10.006 1.00 0.00 N ATOM 637 CA GLU A 43 1.562 4.457 -10.809 1.00 0.00 C ATOM 638 C GLU A 43 1.264 3.259 -9.933 1.00 0.00 C ATOM 639 O GLU A 43 1.678 3.235 -8.791 1.00 0.00 O ATOM 640 CB GLU A 43 2.635 4.091 -11.837 1.00 0.00 C ATOM 641 CG GLU A 43 2.838 5.146 -12.913 1.00 0.00 C ATOM 642 CD GLU A 43 3.794 4.693 -14.000 1.00 0.00 C ATOM 643 OE1 GLU A 43 4.806 4.038 -13.664 1.00 0.00 O ATOM 644 OE2 GLU A 43 3.535 4.993 -15.183 1.00 0.00 O ATOM 0 H GLU A 43 2.420 5.385 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 43 0.645 4.738 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.580 3.927 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.364 3.148 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.875 5.393 -13.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.220 6.058 -12.455 1.00 0.00 H new ATOM 651 N LYS A 44 0.544 2.268 -10.479 1.00 0.00 N ATOM 652 CA LYS A 44 0.200 1.059 -9.725 1.00 0.00 C ATOM 653 C LYS A 44 1.428 0.159 -9.554 1.00 0.00 C ATOM 654 O LYS A 44 2.476 0.407 -10.155 1.00 0.00 O ATOM 655 CB LYS A 44 -0.949 0.295 -10.403 1.00 0.00 C ATOM 656 CG LYS A 44 -1.977 -0.261 -9.416 1.00 0.00 C ATOM 657 CD LYS A 44 -2.889 -1.284 -10.077 1.00 0.00 C ATOM 658 CE LYS A 44 -3.797 -1.973 -9.066 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.071 -3.388 -9.440 1.00 0.00 N ATOM 0 H LYS A 44 0.191 2.282 -11.436 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.139 1.364 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.453 0.960 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.534 -0.528 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.462 -0.722 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.576 0.556 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.498 -0.791 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.284 -2.032 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.333 -1.941 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.738 -1.428 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.692 -3.821 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.537 -3.417 -10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.175 -3.915 -9.485 1.00 0.00 H new ATOM 673 N LEU A 45 1.291 -0.881 -8.724 1.00 0.00 N ATOM 674 CA LEU A 45 2.377 -1.820 -8.451 1.00 0.00 C ATOM 675 C LEU A 45 1.875 -3.260 -8.596 1.00 0.00 C ATOM 676 O LEU A 45 0.922 -3.662 -7.926 1.00 0.00 O ATOM 677 CB LEU A 45 2.940 -1.554 -7.031 1.00 0.00 C ATOM 678 CG LEU A 45 4.446 -1.229 -6.924 1.00 0.00 C ATOM 679 CD1 LEU A 45 4.910 -0.262 -8.012 1.00 0.00 C ATOM 680 CD2 LEU A 45 4.754 -0.654 -5.544 1.00 0.00 C ATOM 0 H LEU A 45 0.426 -1.092 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 45 3.182 -1.677 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.383 -0.725 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.738 -2.431 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 45 4.993 -2.161 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.976 -0.065 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.729 -0.703 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.357 0.673 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.818 -0.426 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.177 0.258 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.488 -1.383 -4.778 1.00 0.00 H new ATOM 692 N SER A 46 2.518 -4.022 -9.489 1.00 0.00 N ATOM 693 CA SER A 46 2.133 -5.413 -9.741 1.00 0.00 C ATOM 694 C SER A 46 2.387 -6.295 -8.505 1.00 0.00 C ATOM 695 O SER A 46 3.185 -5.930 -7.640 1.00 0.00 O ATOM 696 CB SER A 46 2.882 -5.962 -10.968 1.00 0.00 C ATOM 697 OG SER A 46 1.987 -6.193 -12.044 1.00 0.00 O ATOM 0 H SER A 46 3.307 -3.697 -10.048 1.00 0.00 H new ATOM 0 HA SER A 46 1.063 -5.436 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.652 -5.255 -11.276 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.388 -6.891 -10.705 1.00 0.00 H new ATOM 0 HG SER A 46 2.484 -6.540 -12.814 1.00 0.00 H new ATOM 703 N PRO A 47 1.707 -7.470 -8.402 1.00 0.00 N ATOM 704 CA PRO A 47 1.873 -8.380 -7.263 1.00 0.00 C ATOM 705 C PRO A 47 3.080 -9.321 -7.392 1.00 0.00 C ATOM 706 O PRO A 47 3.480 -9.945 -6.406 1.00 0.00 O ATOM 707 CB PRO A 47 0.567 -9.172 -7.280 1.00 0.00 C ATOM 708 CG PRO A 47 0.203 -9.261 -8.722 1.00 0.00 C ATOM 709 CD PRO A 47 0.720 -8.003 -9.375 1.00 0.00 C ATOM 0 HA PRO A 47 2.067 -7.837 -6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.697 -10.161 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.210 -8.668 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.646 -10.145 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.877 -9.346 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.184 -8.215 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.084 -7.290 -9.559 1.00 0.00 H new ATOM 717 N ASN A 48 3.660 -9.420 -8.597 1.00 0.00 N ATOM 718 CA ASN A 48 4.813 -10.283 -8.830 1.00 0.00 C ATOM 719 C ASN A 48 5.646 -9.761 -10.003 1.00 0.00 C ATOM 720 O ASN A 48 5.478 -10.197 -11.147 1.00 0.00 O ATOM 721 CB ASN A 48 4.361 -11.722 -9.093 1.00 0.00 C ATOM 722 CG ASN A 48 3.714 -12.355 -7.873 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.402 -12.831 -6.971 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.382 -12.363 -7.836 1.00 0.00 N ATOM 0 H ASN A 48 3.345 -8.910 -9.422 1.00 0.00 H new ATOM 0 HA ASN A 48 5.435 -10.275 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.654 -11.733 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.220 -12.320 -9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.896 -12.774 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.848 -11.958 -8.605 1.00 0.00 H new ATOM 731 N GLN A 49 6.543 -8.815 -9.709 1.00 0.00 N ATOM 732 CA GLN A 49 7.411 -8.215 -10.727 1.00 0.00 C ATOM 733 C GLN A 49 8.853 -8.121 -10.230 1.00 0.00 C ATOM 734 O GLN A 49 9.765 -8.658 -10.860 1.00 0.00 O ATOM 735 CB GLN A 49 6.902 -6.820 -11.149 1.00 0.00 C ATOM 736 CG GLN A 49 6.365 -5.944 -10.009 1.00 0.00 C ATOM 737 CD GLN A 49 7.161 -4.661 -9.807 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.691 -4.093 -10.762 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.248 -4.196 -8.561 1.00 0.00 N ATOM 0 H GLN A 49 6.687 -8.447 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 49 7.385 -8.866 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.716 -6.288 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.112 -6.948 -11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.325 -5.689 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.375 -6.519 -9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.794 -4.697 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.768 -3.339 -8.371 1.00 0.00 H new ATOM 748 N GLN A 50 9.050 -7.431 -9.104 1.00 0.00 N ATOM 749 CA GLN A 50 10.382 -7.253 -8.516 1.00 0.00 C ATOM 750 C GLN A 50 10.310 -7.443 -6.991 1.00 0.00 C ATOM 751 O GLN A 50 9.365 -8.059 -6.493 1.00 0.00 O ATOM 752 CB GLN A 50 10.942 -5.856 -8.871 1.00 0.00 C ATOM 753 CG GLN A 50 10.692 -5.407 -10.308 1.00 0.00 C ATOM 754 CD GLN A 50 11.613 -6.094 -11.301 1.00 0.00 C ATOM 755 OE1 GLN A 50 11.172 -6.915 -12.105 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.902 -5.762 -11.255 1.00 0.00 N ATOM 0 H GLN A 50 8.300 -6.984 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 50 11.057 -8.003 -8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.502 -5.122 -8.195 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.016 -5.854 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.656 -5.615 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.829 -4.328 -10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.228 -5.077 -10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.563 -6.193 -11.901 1.00 0.00 H new ATOM 765 N ARG A 51 11.300 -6.912 -6.245 1.00 0.00 N ATOM 766 CA ARG A 51 11.337 -7.022 -4.774 1.00 0.00 C ATOM 767 C ARG A 51 10.003 -6.635 -4.119 1.00 0.00 C ATOM 768 O ARG A 51 9.685 -7.114 -3.028 1.00 0.00 O ATOM 769 CB ARG A 51 12.465 -6.153 -4.212 1.00 0.00 C ATOM 770 CG ARG A 51 13.837 -6.492 -4.800 1.00 0.00 C ATOM 771 CD ARG A 51 14.516 -5.287 -5.446 1.00 0.00 C ATOM 772 NE ARG A 51 15.783 -5.651 -6.092 1.00 0.00 N ATOM 773 CZ ARG A 51 16.427 -4.900 -6.998 1.00 0.00 C ATOM 774 NH1 ARG A 51 15.954 -3.715 -7.381 1.00 0.00 N ATOM 775 NH2 ARG A 51 17.562 -5.344 -7.525 1.00 0.00 N ATOM 0 H ARG A 51 12.088 -6.400 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 51 11.521 -8.070 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.241 -5.105 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.501 -6.272 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.478 -6.886 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.724 -7.282 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.846 -4.846 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.701 -4.526 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 51 16.206 -6.542 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.084 -3.360 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.462 -3.162 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.937 -6.249 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.059 -4.780 -8.215 1.00 0.00 H new ATOM 789 N ILE A 52 9.226 -5.779 -4.792 1.00 0.00 N ATOM 790 CA ILE A 52 7.929 -5.356 -4.278 1.00 0.00 C ATOM 791 C ILE A 52 6.873 -6.414 -4.622 1.00 0.00 C ATOM 792 O ILE A 52 6.683 -6.766 -5.787 1.00 0.00 O ATOM 793 CB ILE A 52 7.526 -3.959 -4.822 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.641 -2.946 -4.511 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.197 -3.496 -4.220 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.419 -1.570 -5.103 1.00 0.00 C ATOM 0 H ILE A 52 9.477 -5.369 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 52 7.997 -5.262 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 52 7.393 -4.029 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.738 -2.852 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.587 -3.340 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.939 -2.515 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.413 -4.209 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.291 -3.434 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.252 -0.920 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.354 -1.647 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.492 -1.151 -4.712 1.00 0.00 H new ATOM 808 N SER A 53 6.210 -6.928 -3.585 1.00 0.00 N ATOM 809 CA SER A 53 5.193 -7.959 -3.717 1.00 0.00 C ATOM 810 C SER A 53 3.976 -7.601 -2.872 1.00 0.00 C ATOM 811 O SER A 53 4.098 -7.373 -1.666 1.00 0.00 O ATOM 812 CB SER A 53 5.766 -9.302 -3.258 1.00 0.00 C ATOM 813 OG SER A 53 4.912 -10.376 -3.616 1.00 0.00 O ATOM 0 H SER A 53 6.370 -6.633 -2.622 1.00 0.00 H new ATOM 0 HA SER A 53 4.889 -8.032 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.749 -9.452 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.905 -9.290 -2.177 1.00 0.00 H new ATOM 0 HG SER A 53 4.484 -10.181 -4.476 1.00 0.00 H new ATOM 819 N VAL A 54 2.808 -7.544 -3.512 1.00 0.00 N ATOM 820 CA VAL A 54 1.560 -7.207 -2.826 1.00 0.00 C ATOM 821 C VAL A 54 0.786 -8.481 -2.480 1.00 0.00 C ATOM 822 O VAL A 54 0.989 -9.519 -3.116 1.00 0.00 O ATOM 823 CB VAL A 54 0.659 -6.289 -3.695 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.462 -5.698 -2.860 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.463 -5.172 -4.353 1.00 0.00 C ATOM 0 H VAL A 54 2.700 -7.728 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 54 1.825 -6.671 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 54 0.230 -6.906 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.083 -5.057 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.071 -6.502 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.038 -5.109 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.799 -4.550 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.935 -4.561 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.231 -5.605 -4.994 1.00 0.00 H new ATOM 835 N VAL A 55 -0.094 -8.402 -1.473 1.00 0.00 N ATOM 836 CA VAL A 55 -0.889 -9.560 -1.057 1.00 0.00 C ATOM 837 C VAL A 55 -2.226 -9.137 -0.433 1.00 0.00 C ATOM 838 O VAL A 55 -2.292 -8.171 0.316 1.00 0.00 O ATOM 839 CB VAL A 55 -0.092 -10.449 -0.064 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.283 -9.672 1.193 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.862 -11.720 0.295 1.00 0.00 C ATOM 0 H VAL A 55 -0.271 -7.553 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.106 -10.141 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 55 0.828 -10.748 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.840 -10.321 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.900 -8.816 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.623 -9.323 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.274 -12.317 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.811 -11.452 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.051 -12.299 -0.609 1.00 0.00 H new ATOM 851 N TRP A 56 -3.284 -9.893 -0.734 1.00 0.00 N ATOM 852 CA TRP A 56 -4.618 -9.627 -0.195 1.00 0.00 C ATOM 853 C TRP A 56 -5.056 -10.807 0.663 1.00 0.00 C ATOM 854 O TRP A 56 -5.078 -11.943 0.182 1.00 0.00 O ATOM 855 CB TRP A 56 -5.597 -9.393 -1.340 1.00 0.00 C ATOM 856 CG TRP A 56 -5.214 -8.216 -2.180 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.726 -6.956 -2.103 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.220 -8.184 -3.210 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.119 -6.143 -3.025 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.194 -6.873 -3.721 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.352 -9.137 -3.754 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.336 -6.489 -4.749 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.501 -8.754 -4.774 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.499 -7.440 -5.262 1.00 0.00 C ATOM 0 H TRP A 56 -3.240 -10.702 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.598 -8.731 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.641 -10.284 -1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.597 -9.238 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.498 -6.643 -1.416 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.324 -5.154 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.347 -10.152 -3.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.332 -5.477 -5.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.826 -9.480 -5.202 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.822 -7.173 -6.060 1.00 0.00 H new ATOM 875 N ASN A 57 -5.362 -10.551 1.945 1.00 0.00 N ATOM 876 CA ASN A 57 -5.751 -11.632 2.875 1.00 0.00 C ATOM 877 C ASN A 57 -7.178 -11.473 3.409 1.00 0.00 C ATOM 878 O ASN A 57 -8.083 -12.189 2.974 1.00 0.00 O ATOM 879 CB ASN A 57 -4.739 -11.760 4.046 1.00 0.00 C ATOM 880 CG ASN A 57 -4.053 -10.450 4.429 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.431 -9.804 5.406 1.00 0.00 O ATOM 882 ND2 ASN A 57 -3.036 -10.058 3.661 1.00 0.00 N ATOM 0 H ASN A 57 -5.349 -9.619 2.360 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.731 -12.555 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.259 -12.153 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.977 -12.490 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.540 -9.193 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.754 -10.623 2.860 1.00 0.00 H new ATOM 889 N ASP A 58 -7.375 -10.558 4.368 1.00 0.00 N ATOM 890 CA ASP A 58 -8.698 -10.341 4.979 1.00 0.00 C ATOM 891 C ASP A 58 -9.759 -9.965 3.932 1.00 0.00 C ATOM 892 O ASP A 58 -9.482 -9.963 2.732 1.00 0.00 O ATOM 893 CB ASP A 58 -8.608 -9.267 6.077 1.00 0.00 C ATOM 894 CG ASP A 58 -9.455 -9.599 7.294 1.00 0.00 C ATOM 895 OD1 ASP A 58 -9.425 -10.766 7.736 1.00 0.00 O ATOM 896 OD2 ASP A 58 -10.148 -8.692 7.800 1.00 0.00 O ATOM 0 H ASP A 58 -6.639 -9.957 4.738 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.013 -11.282 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.568 -9.153 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.927 -8.308 5.668 1.00 0.00 H new ATOM 901 N ASP A 59 -10.979 -9.659 4.402 1.00 0.00 N ATOM 902 CA ASP A 59 -12.095 -9.291 3.517 1.00 0.00 C ATOM 903 C ASP A 59 -11.747 -8.100 2.623 1.00 0.00 C ATOM 904 O ASP A 59 -12.146 -8.055 1.456 1.00 0.00 O ATOM 905 CB ASP A 59 -13.343 -8.967 4.344 1.00 0.00 C ATOM 906 CG ASP A 59 -14.625 -9.187 3.567 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.955 -8.338 2.713 1.00 0.00 O ATOM 908 OD2 ASP A 59 -15.301 -10.209 3.813 1.00 0.00 O ATOM 0 H ASP A 59 -11.218 -9.659 5.394 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.293 -10.147 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.353 -9.588 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.296 -7.930 4.676 1.00 0.00 H new ATOM 913 N ASP A 60 -11.002 -7.140 3.179 1.00 0.00 N ATOM 914 CA ASP A 60 -10.597 -5.948 2.433 1.00 0.00 C ATOM 915 C ASP A 60 -9.237 -5.402 2.897 1.00 0.00 C ATOM 916 O ASP A 60 -8.924 -4.234 2.653 1.00 0.00 O ATOM 917 CB ASP A 60 -11.670 -4.868 2.572 1.00 0.00 C ATOM 918 CG ASP A 60 -12.975 -5.267 1.914 1.00 0.00 C ATOM 919 OD1 ASP A 60 -13.040 -5.258 0.667 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.935 -5.590 2.647 1.00 0.00 O ATOM 0 H ASP A 60 -10.668 -7.166 4.142 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.488 -6.234 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.845 -4.667 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.309 -3.941 2.126 1.00 0.00 H new ATOM 925 N SER A 61 -8.423 -6.247 3.550 1.00 0.00 N ATOM 926 CA SER A 61 -7.098 -5.838 4.027 1.00 0.00 C ATOM 927 C SER A 61 -6.005 -6.429 3.138 1.00 0.00 C ATOM 928 O SER A 61 -6.118 -7.574 2.673 1.00 0.00 O ATOM 929 CB SER A 61 -6.889 -6.279 5.474 1.00 0.00 C ATOM 930 OG SER A 61 -5.596 -5.926 5.936 1.00 0.00 O ATOM 0 H SER A 61 -8.662 -7.217 3.758 1.00 0.00 H new ATOM 0 HA SER A 61 -7.040 -4.751 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.644 -5.817 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.024 -7.358 5.551 1.00 0.00 H new ATOM 0 HG SER A 61 -5.366 -6.474 6.715 1.00 0.00 H new ATOM 936 N SER A 62 -4.949 -5.641 2.895 1.00 0.00 N ATOM 937 CA SER A 62 -3.845 -6.072 2.051 1.00 0.00 C ATOM 938 C SER A 62 -2.520 -5.646 2.668 1.00 0.00 C ATOM 939 O SER A 62 -2.505 -5.086 3.767 1.00 0.00 O ATOM 940 CB SER A 62 -4.025 -5.475 0.653 1.00 0.00 C ATOM 941 OG SER A 62 -5.387 -5.510 0.269 1.00 0.00 O ATOM 0 H SER A 62 -4.843 -4.701 3.276 1.00 0.00 H new ATOM 0 HA SER A 62 -3.838 -7.159 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.664 -4.446 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.424 -6.031 -0.066 1.00 0.00 H new ATOM 0 HG SER A 62 -5.450 -5.626 -0.702 1.00 0.00 H new ATOM 947 N THR A 63 -1.416 -5.910 1.969 1.00 0.00 N ATOM 948 CA THR A 63 -0.097 -5.555 2.462 1.00 0.00 C ATOM 949 C THR A 63 0.914 -5.442 1.329 1.00 0.00 C ATOM 950 O THR A 63 0.979 -6.306 0.447 1.00 0.00 O ATOM 951 CB THR A 63 0.419 -6.589 3.466 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.627 -7.072 4.289 1.00 0.00 O ATOM 953 CG2 THR A 63 1.509 -6.036 4.360 1.00 0.00 C ATOM 0 H THR A 63 -1.415 -6.370 1.058 1.00 0.00 H new ATOM 0 HA THR A 63 -0.203 -4.587 2.952 1.00 0.00 H new ATOM 0 HB THR A 63 0.832 -7.401 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.269 -7.732 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.839 -6.810 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.352 -5.713 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.122 -5.187 4.923 1.00 0.00 H new ATOM 961 N LEU A 64 1.730 -4.399 1.399 1.00 0.00 N ATOM 962 CA LEU A 64 2.790 -4.165 0.444 1.00 0.00 C ATOM 963 C LEU A 64 4.065 -4.729 1.042 1.00 0.00 C ATOM 964 O LEU A 64 4.250 -4.620 2.250 1.00 0.00 O ATOM 965 CB LEU A 64 2.936 -2.662 0.220 1.00 0.00 C ATOM 966 CG LEU A 64 3.955 -2.253 -0.840 1.00 0.00 C ATOM 967 CD1 LEU A 64 3.378 -2.435 -2.228 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.409 -0.811 -0.628 1.00 0.00 C ATOM 0 H LEU A 64 1.669 -3.689 2.129 1.00 0.00 H new ATOM 0 HA LEU A 64 2.576 -4.640 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.963 -2.258 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.214 -2.196 1.166 1.00 0.00 H new ATOM 0 HG LEU A 64 4.828 -2.899 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.118 -2.139 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.113 -3.482 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.487 -1.816 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.135 -0.542 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.548 -0.145 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.868 -0.715 0.356 1.00 0.00 H new ATOM 980 N THR A 65 4.934 -5.349 0.237 1.00 0.00 N ATOM 981 CA THR A 65 6.181 -5.923 0.786 1.00 0.00 C ATOM 982 C THR A 65 7.400 -5.626 -0.086 1.00 0.00 C ATOM 983 O THR A 65 7.683 -6.342 -1.038 1.00 0.00 O ATOM 984 CB THR A 65 6.043 -7.437 1.033 1.00 0.00 C ATOM 985 OG1 THR A 65 4.693 -7.860 0.940 1.00 0.00 O ATOM 986 CG2 THR A 65 6.553 -7.840 2.397 1.00 0.00 C ATOM 0 H THR A 65 4.810 -5.468 -0.768 1.00 0.00 H new ATOM 0 HA THR A 65 6.347 -5.432 1.745 1.00 0.00 H new ATOM 0 HB THR A 65 6.643 -7.915 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.390 -7.785 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.435 -8.916 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.607 -7.577 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.985 -7.318 3.167 1.00 0.00 H new ATOM 994 N ILE A 66 8.135 -4.578 0.279 1.00 0.00 N ATOM 995 CA ILE A 66 9.343 -4.180 -0.459 1.00 0.00 C ATOM 996 C ILE A 66 10.579 -4.834 0.149 1.00 0.00 C ATOM 997 O ILE A 66 11.203 -4.279 1.057 1.00 0.00 O ATOM 998 CB ILE A 66 9.535 -2.633 -0.481 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.206 -1.904 -0.809 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.645 -2.232 -1.468 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.770 -0.919 0.260 1.00 0.00 C ATOM 0 H ILE A 66 7.919 -3.986 1.081 1.00 0.00 H new ATOM 0 HA ILE A 66 9.213 -4.519 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 66 9.843 -2.322 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.317 -1.374 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.420 -2.646 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.760 -1.148 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.584 -2.697 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.378 -2.566 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.833 -0.448 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.626 -1.446 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.537 -0.154 0.385 1.00 0.00 H new ATOM 1013 N TYR A 67 10.933 -6.022 -0.356 1.00 0.00 N ATOM 1014 CA TYR A 67 12.102 -6.762 0.147 1.00 0.00 C ATOM 1015 C TYR A 67 13.392 -5.911 0.025 1.00 0.00 C ATOM 1016 O TYR A 67 13.649 -5.084 0.892 1.00 0.00 O ATOM 1017 CB TYR A 67 12.211 -8.137 -0.554 1.00 0.00 C ATOM 1018 CG TYR A 67 10.917 -8.933 -0.542 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.205 -9.127 0.636 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.406 -9.484 -1.714 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.022 -9.843 0.645 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.225 -10.201 -1.710 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.539 -10.379 -0.529 1.00 0.00 C ATOM 1024 OH TYR A 67 7.361 -11.092 -0.523 1.00 0.00 O ATOM 0 H TYR A 67 10.431 -6.492 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 67 11.970 -6.960 1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.524 -7.984 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.992 -8.722 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.582 -8.712 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.942 -9.349 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.479 -9.982 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.842 -10.620 -2.629 1.00 0.00 H new ATOM 0 HH TYR A 67 7.161 -11.400 -1.431 1.00 0.00 H new ATOM 1034 N ASN A 68 14.181 -6.078 -1.039 1.00 0.00 N ATOM 1035 CA ASN A 68 15.399 -5.284 -1.227 1.00 0.00 C ATOM 1036 C ASN A 68 15.037 -3.820 -1.509 1.00 0.00 C ATOM 1037 O ASN A 68 14.707 -3.466 -2.643 1.00 0.00 O ATOM 1038 CB ASN A 68 16.250 -5.858 -2.370 1.00 0.00 C ATOM 1039 CG ASN A 68 17.743 -5.710 -2.117 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.479 -6.697 -2.111 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.200 -4.475 -1.905 1.00 0.00 N ATOM 0 H ASN A 68 14.000 -6.753 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 68 15.987 -5.329 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.010 -6.913 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.991 -5.353 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.193 -4.322 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.556 -3.684 -1.918 1.00 0.00 H new ATOM 1048 N ALA A 69 15.079 -2.981 -0.467 1.00 0.00 N ATOM 1049 CA ALA A 69 14.733 -1.563 -0.599 1.00 0.00 C ATOM 1050 C ALA A 69 15.862 -0.746 -1.235 1.00 0.00 C ATOM 1051 O ALA A 69 17.026 -1.149 -1.202 1.00 0.00 O ATOM 1052 CB ALA A 69 14.341 -0.985 0.760 1.00 0.00 C ATOM 0 H ALA A 69 15.349 -3.261 0.476 1.00 0.00 H new ATOM 0 HA ALA A 69 13.878 -1.496 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.086 0.069 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.480 -1.527 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.177 -1.084 1.452 1.00 0.00 H new ATOM 1058 N ASN A 70 15.498 0.407 -1.816 1.00 0.00 N ATOM 1059 CA ASN A 70 16.466 1.295 -2.464 1.00 0.00 C ATOM 1060 C ASN A 70 15.990 2.750 -2.425 1.00 0.00 C ATOM 1061 O ASN A 70 14.795 3.026 -2.287 1.00 0.00 O ATOM 1062 CB ASN A 70 16.696 0.871 -3.920 1.00 0.00 C ATOM 1063 CG ASN A 70 17.095 -0.589 -4.057 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.278 -0.911 -4.162 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.108 -1.485 -4.058 1.00 0.00 N ATOM 0 H ASN A 70 14.536 0.744 -1.849 1.00 0.00 H new ATOM 0 HA ASN A 70 17.404 1.218 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.786 1.048 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.474 1.497 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.321 -2.478 -4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.140 -1.177 -3.969 1.00 0.00 H new ATOM 1072 N ILE A 71 16.930 3.694 -2.558 1.00 0.00 N ATOM 1073 CA ILE A 71 16.592 5.126 -2.540 1.00 0.00 C ATOM 1074 C ILE A 71 15.475 5.479 -3.546 1.00 0.00 C ATOM 1075 O ILE A 71 14.756 6.462 -3.355 1.00 0.00 O ATOM 1076 CB ILE A 71 17.823 6.032 -2.799 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.454 5.753 -4.193 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.836 5.908 -1.661 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.416 4.572 -4.287 1.00 0.00 C ATOM 0 H ILE A 71 17.923 3.496 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 71 16.227 5.320 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 71 17.486 7.069 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 71 17.646 5.591 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.985 6.650 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.692 6.552 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.369 6.209 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.171 4.874 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.786 4.484 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 71 20.255 4.731 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 71 18.895 3.655 -4.010 1.00 0.00 H new ATOM 1091 N ASP A 72 15.330 4.661 -4.601 1.00 0.00 N ATOM 1092 CA ASP A 72 14.295 4.879 -5.608 1.00 0.00 C ATOM 1093 C ASP A 72 12.917 4.531 -5.043 1.00 0.00 C ATOM 1094 O ASP A 72 11.952 5.267 -5.260 1.00 0.00 O ATOM 1095 CB ASP A 72 14.576 4.045 -6.861 1.00 0.00 C ATOM 1096 CG ASP A 72 15.641 4.670 -7.740 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.307 5.594 -8.511 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.810 4.238 -7.656 1.00 0.00 O ATOM 0 H ASP A 72 15.918 3.846 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 72 14.305 5.934 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.893 3.045 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.655 3.932 -7.434 1.00 0.00 H new ATOM 1103 N ASP A 73 12.831 3.409 -4.305 1.00 0.00 N ATOM 1104 CA ASP A 73 11.574 2.972 -3.699 1.00 0.00 C ATOM 1105 C ASP A 73 11.084 3.983 -2.663 1.00 0.00 C ATOM 1106 O ASP A 73 9.876 4.167 -2.500 1.00 0.00 O ATOM 1107 CB ASP A 73 11.743 1.596 -3.046 1.00 0.00 C ATOM 1108 CG ASP A 73 11.702 0.467 -4.057 1.00 0.00 C ATOM 1109 OD1 ASP A 73 10.831 0.503 -4.952 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.540 -0.453 -3.955 1.00 0.00 O ATOM 0 H ASP A 73 13.622 2.793 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 73 10.828 2.900 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.691 1.565 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.955 1.448 -2.308 1.00 0.00 H new ATOM 1115 N ALA A 74 12.027 4.640 -1.958 1.00 0.00 N ATOM 1116 CA ALA A 74 11.671 5.637 -0.929 1.00 0.00 C ATOM 1117 C ALA A 74 10.686 6.692 -1.438 1.00 0.00 C ATOM 1118 O ALA A 74 11.070 7.593 -2.191 1.00 0.00 O ATOM 1119 CB ALA A 74 12.924 6.324 -0.399 1.00 0.00 C ATOM 0 H ALA A 74 13.030 4.500 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 74 11.177 5.090 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.645 7.056 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.588 5.580 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.437 6.828 -1.218 1.00 0.00 H new ATOM 1125 N GLY A 75 9.428 6.577 -1.009 1.00 0.00 N ATOM 1126 CA GLY A 75 8.418 7.536 -1.416 1.00 0.00 C ATOM 1127 C GLY A 75 7.077 7.275 -0.766 1.00 0.00 C ATOM 1128 O GLY A 75 6.929 6.317 -0.004 1.00 0.00 O ATOM 0 H GLY A 75 9.094 5.839 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.752 8.542 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.306 7.503 -2.500 1.00 0.00 H new ATOM 1132 N ILE A 76 6.097 8.129 -1.072 1.00 0.00 N ATOM 1133 CA ILE A 76 4.754 7.994 -0.514 1.00 0.00 C ATOM 1134 C ILE A 76 3.947 6.942 -1.287 1.00 0.00 C ATOM 1135 O ILE A 76 3.291 7.267 -2.282 1.00 0.00 O ATOM 1136 CB ILE A 76 3.982 9.345 -0.534 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.846 10.493 0.017 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.677 9.237 0.247 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.279 10.311 1.459 1.00 0.00 C ATOM 0 H ILE A 76 6.211 8.921 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 76 4.872 7.677 0.522 1.00 0.00 H new ATOM 0 HB ILE A 76 3.745 9.572 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.734 10.595 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.288 11.425 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.156 10.194 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.048 8.467 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.893 8.972 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.883 11.164 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.398 10.240 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.867 9.398 1.550 1.00 0.00 H new ATOM 1151 N TYR A 77 3.975 5.685 -0.812 1.00 0.00 N ATOM 1152 CA TYR A 77 3.212 4.607 -1.458 1.00 0.00 C ATOM 1153 C TYR A 77 1.715 4.873 -1.249 1.00 0.00 C ATOM 1154 O TYR A 77 1.353 5.660 -0.374 1.00 0.00 O ATOM 1155 CB TYR A 77 3.594 3.236 -0.877 1.00 0.00 C ATOM 1156 CG TYR A 77 4.951 2.703 -1.304 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.106 3.110 -0.647 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.074 1.766 -2.330 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.354 2.605 -0.997 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.309 1.256 -2.681 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.443 1.675 -2.015 1.00 0.00 C ATOM 1162 OH TYR A 77 8.668 1.165 -2.372 1.00 0.00 O ATOM 0 H TYR A 77 4.511 5.394 0.006 1.00 0.00 H new ATOM 0 HA TYR A 77 3.444 4.591 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.575 3.303 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.831 2.513 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.033 3.833 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.192 1.435 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.242 2.936 -0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.387 0.530 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 77 8.554 0.523 -3.104 1.00 0.00 H new ATOM 1172 N LYS A 78 0.848 4.243 -2.050 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.604 4.459 -1.927 1.00 0.00 C ATOM 1174 C LYS A 78 -1.371 3.148 -1.799 1.00 0.00 C ATOM 1175 O LYS A 78 -0.922 2.110 -2.263 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.138 5.254 -3.130 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.071 6.393 -2.747 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.553 7.162 -3.969 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.416 7.912 -4.646 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.900 9.117 -5.376 1.00 0.00 N ATOM 0 H LYS A 78 1.119 3.587 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.762 5.031 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.295 5.660 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.666 4.573 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.929 5.994 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.555 7.073 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.006 6.470 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.329 7.868 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.683 8.212 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.906 7.246 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.094 9.599 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.581 8.829 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.364 9.765 -4.708 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.557 3.234 -1.198 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.438 2.083 -1.021 1.00 0.00 C ATOM 1196 C CYS A 79 -4.887 2.559 -1.226 1.00 0.00 C ATOM 1197 O CYS A 79 -5.452 3.256 -0.380 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.130 1.393 0.350 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.431 1.345 1.642 1.00 0.00 S ATOM 0 H CYS A 79 -2.933 4.104 -0.821 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.269 1.301 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.838 0.364 0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.260 1.890 0.779 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.448 2.245 -2.403 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.796 2.700 -2.773 1.00 0.00 C ATOM 1206 C VAL A 80 -7.839 1.580 -2.732 1.00 0.00 C ATOM 1207 O VAL A 80 -7.574 0.446 -3.128 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.811 3.343 -4.192 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.113 4.100 -4.430 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.619 4.274 -4.399 1.00 0.00 C ATOM 0 H VAL A 80 -4.989 1.677 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.064 3.445 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.737 2.532 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.101 4.540 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.954 3.412 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.216 4.890 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.663 4.704 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.649 5.073 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.693 3.710 -4.287 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.047 1.938 -2.273 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.177 1.014 -2.196 1.00 0.00 C ATOM 1222 C VAL A 81 -11.343 1.613 -3.010 1.00 0.00 C ATOM 1223 O VAL A 81 -11.541 2.824 -2.978 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.548 0.741 -0.685 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.047 0.845 -0.366 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.012 -0.619 -0.247 1.00 0.00 C ATOM 0 H VAL A 81 -9.264 2.879 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.928 0.044 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.070 1.540 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.209 0.642 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.400 1.849 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.597 0.117 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.275 -0.795 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.450 -1.400 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.928 -0.635 -0.356 1.00 0.00 H new ATOM 1236 N THR A 82 -12.095 0.781 -3.756 1.00 0.00 N ATOM 1237 CA THR A 82 -13.218 1.295 -4.573 1.00 0.00 C ATOM 1238 C THR A 82 -14.569 0.680 -4.191 1.00 0.00 C ATOM 1239 O THR A 82 -14.675 -0.522 -3.966 1.00 0.00 O ATOM 1240 CB THR A 82 -12.956 1.065 -6.060 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.573 1.169 -6.351 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.690 2.055 -6.941 1.00 0.00 C ATOM 0 H THR A 82 -11.953 -0.227 -3.812 1.00 0.00 H new ATOM 0 HA THR A 82 -13.276 2.364 -4.368 1.00 0.00 H new ATOM 0 HB THR A 82 -13.322 0.061 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.428 1.017 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.468 1.845 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.763 1.966 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.368 3.067 -6.697 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.607 1.527 -4.144 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.959 1.083 -3.805 1.00 0.00 C ATOM 1252 C ALA A 83 -17.728 0.649 -5.058 1.00 0.00 C ATOM 1253 O ALA A 83 -17.159 0.593 -6.151 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.704 2.192 -3.073 1.00 0.00 C ATOM 0 H ALA A 83 -15.532 2.526 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.882 0.217 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.710 1.852 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.170 2.446 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.766 3.072 -3.713 1.00 0.00 H new ATOM 1260 N GLU A 84 -19.018 0.334 -4.888 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.864 -0.105 -6.000 1.00 0.00 C ATOM 1262 C GLU A 84 -20.222 1.063 -6.925 1.00 0.00 C ATOM 1263 O GLU A 84 -19.926 1.023 -8.121 1.00 0.00 O ATOM 1264 CB GLU A 84 -21.137 -0.776 -5.466 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.622 -1.930 -6.327 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.980 -2.447 -5.899 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.925 -1.634 -5.809 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.102 -3.665 -5.651 1.00 0.00 O ATOM 0 H GLU A 84 -19.498 0.376 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.300 -0.831 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.949 -1.141 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.928 -0.030 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.672 -1.606 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.897 -2.743 -6.280 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.860 2.096 -6.363 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.261 3.278 -7.140 1.00 0.00 C ATOM 1277 C ASP A 85 -20.053 4.039 -7.708 1.00 0.00 C ATOM 1278 O ASP A 85 -20.191 4.766 -8.696 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.114 4.225 -6.285 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.441 4.604 -4.980 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -20.242 4.950 -5.008 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -22.116 4.559 -3.930 1.00 0.00 O ATOM 0 H ASP A 85 -21.110 2.139 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.852 2.916 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.327 5.129 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.072 3.751 -6.070 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.875 3.867 -7.089 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.660 4.540 -7.550 1.00 0.00 C ATOM 1289 C GLY A 86 -17.018 5.440 -6.499 1.00 0.00 C ATOM 1290 O GLY A 86 -16.218 6.314 -6.846 1.00 0.00 O ATOM 0 H GLY A 86 -18.742 3.270 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.935 3.788 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.898 5.138 -8.430 1.00 0.00 H new ATOM 1294 N THR A 87 -17.345 5.223 -5.219 1.00 0.00 N ATOM 1295 CA THR A 87 -16.775 6.008 -4.129 1.00 0.00 C ATOM 1296 C THR A 87 -15.433 5.407 -3.728 1.00 0.00 C ATOM 1297 O THR A 87 -15.390 4.320 -3.154 1.00 0.00 O ATOM 1298 CB THR A 87 -17.739 6.026 -2.931 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.981 6.597 -3.302 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.225 6.799 -1.727 1.00 0.00 C ATOM 0 H THR A 87 -18.005 4.506 -4.917 1.00 0.00 H new ATOM 0 HA THR A 87 -16.622 7.036 -4.458 1.00 0.00 H new ATOM 0 HB THR A 87 -17.841 4.980 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.530 5.922 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.965 6.762 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.293 6.354 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.048 7.837 -2.009 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.340 6.106 -4.046 1.00 0.00 N ATOM 1309 CA GLN A 88 -12.998 5.618 -3.730 1.00 0.00 C ATOM 1310 C GLN A 88 -12.402 6.306 -2.500 1.00 0.00 C ATOM 1311 O GLN A 88 -12.380 7.533 -2.411 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.060 5.828 -4.912 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.505 5.123 -6.181 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.925 5.756 -7.434 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.662 6.154 -8.335 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.598 5.853 -7.498 1.00 0.00 N ATOM 0 H GLN A 88 -14.359 7.009 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.099 4.555 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.976 6.896 -5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.065 5.475 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.205 4.076 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.593 5.141 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.024 5.510 -6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.156 6.270 -8.317 1.00 0.00 H new ATOM 1325 N SER A 89 -11.883 5.493 -1.579 1.00 0.00 N ATOM 1326 CA SER A 89 -11.232 5.975 -0.365 1.00 0.00 C ATOM 1327 C SER A 89 -9.810 5.422 -0.346 1.00 0.00 C ATOM 1328 O SER A 89 -9.627 4.204 -0.297 1.00 0.00 O ATOM 1329 CB SER A 89 -12.007 5.513 0.871 1.00 0.00 C ATOM 1330 OG SER A 89 -11.636 6.258 2.018 1.00 0.00 O ATOM 0 H SER A 89 -11.904 4.476 -1.657 1.00 0.00 H new ATOM 0 HA SER A 89 -11.209 7.065 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.077 5.622 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.819 4.454 1.046 1.00 0.00 H new ATOM 0 HG SER A 89 -12.063 5.872 2.811 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.807 6.303 -0.454 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.404 5.868 -0.518 1.00 0.00 C ATOM 1338 C GLU A 90 -6.595 6.181 0.749 1.00 0.00 C ATOM 1339 O GLU A 90 -7.122 6.703 1.732 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.732 6.490 -1.755 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.588 8.004 -1.689 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.578 8.656 -3.059 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.694 8.315 -3.873 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.452 9.510 -3.317 1.00 0.00 O ATOM 0 H GLU A 90 -8.938 7.314 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.415 4.781 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.744 6.047 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.312 6.229 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.408 8.417 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.665 8.254 -1.166 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.301 5.834 0.696 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.380 6.042 1.804 1.00 0.00 C ATOM 1353 C ALA A 91 -2.960 6.265 1.280 1.00 0.00 C ATOM 1354 O ALA A 91 -2.699 6.070 0.091 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.408 4.838 2.731 1.00 0.00 C ATOM 0 H ALA A 91 -4.871 5.401 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.691 6.928 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.717 5.000 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.417 4.703 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.111 3.947 2.179 1.00 0.00 H new ATOM 1361 N THR A 92 -2.047 6.664 2.173 1.00 0.00 N ATOM 1362 CA THR A 92 -0.652 6.902 1.795 1.00 0.00 C ATOM 1363 C THR A 92 0.292 6.607 2.960 1.00 0.00 C ATOM 1364 O THR A 92 -0.104 6.677 4.125 1.00 0.00 O ATOM 1365 CB THR A 92 -0.453 8.347 1.307 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.366 9.233 1.940 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.616 8.500 -0.190 1.00 0.00 C ATOM 0 H THR A 92 -2.250 6.828 3.159 1.00 0.00 H new ATOM 0 HA THR A 92 -0.413 6.223 0.977 1.00 0.00 H new ATOM 0 HB THR A 92 0.574 8.598 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.217 10.145 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.463 9.543 -0.468 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.118 7.877 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.620 8.191 -0.480 1.00 0.00 H new ATOM 1375 N VAL A 93 1.548 6.277 2.630 1.00 0.00 N ATOM 1376 CA VAL A 93 2.561 5.970 3.637 1.00 0.00 C ATOM 1377 C VAL A 93 3.938 6.501 3.211 1.00 0.00 C ATOM 1378 O VAL A 93 4.463 6.115 2.160 1.00 0.00 O ATOM 1379 CB VAL A 93 2.624 4.440 3.900 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.934 3.676 2.617 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.628 4.100 5.002 1.00 0.00 C ATOM 0 H VAL A 93 1.883 6.217 1.669 1.00 0.00 H new ATOM 0 HA VAL A 93 2.278 6.469 4.564 1.00 0.00 H new ATOM 0 HB VAL A 93 1.640 4.126 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.972 2.608 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.155 3.871 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.897 4.002 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.645 3.021 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.621 4.440 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.335 4.596 5.927 1.00 0.00 H new ATOM 1391 N ASN A 94 4.514 7.378 4.046 1.00 0.00 N ATOM 1392 CA ASN A 94 5.828 7.955 3.779 1.00 0.00 C ATOM 1393 C ASN A 94 6.920 6.931 4.099 1.00 0.00 C ATOM 1394 O ASN A 94 7.342 6.795 5.251 1.00 0.00 O ATOM 1395 CB ASN A 94 6.004 9.270 4.584 1.00 0.00 C ATOM 1396 CG ASN A 94 7.454 9.749 4.753 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.799 10.335 5.779 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.306 9.504 3.755 1.00 0.00 N ATOM 0 H ASN A 94 4.084 7.700 4.913 1.00 0.00 H new ATOM 0 HA ASN A 94 5.913 8.207 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.434 10.057 4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.567 9.132 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.278 9.805 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.985 9.016 2.919 1.00 0.00 H new ATOM 1405 N VAL A 95 7.366 6.216 3.067 1.00 0.00 N ATOM 1406 CA VAL A 95 8.404 5.200 3.212 1.00 0.00 C ATOM 1407 C VAL A 95 9.775 5.776 2.842 1.00 0.00 C ATOM 1408 O VAL A 95 10.052 6.020 1.665 1.00 0.00 O ATOM 1409 CB VAL A 95 8.109 3.963 2.327 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.068 2.834 2.643 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.665 3.489 2.501 1.00 0.00 C ATOM 0 H VAL A 95 7.020 6.324 2.114 1.00 0.00 H new ATOM 0 HA VAL A 95 8.412 4.887 4.256 1.00 0.00 H new ATOM 0 HB VAL A 95 8.249 4.262 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.842 1.976 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.091 3.163 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.963 2.550 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.488 2.620 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.494 3.219 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.982 4.290 2.217 1.00 0.00 H new ATOM 1421 N LYS A 96 10.622 5.986 3.855 1.00 0.00 N ATOM 1422 CA LYS A 96 11.964 6.527 3.646 1.00 0.00 C ATOM 1423 C LYS A 96 12.971 5.398 3.428 1.00 0.00 C ATOM 1424 O LYS A 96 12.798 4.298 3.957 1.00 0.00 O ATOM 1425 CB LYS A 96 12.376 7.390 4.846 1.00 0.00 C ATOM 1426 CG LYS A 96 11.831 8.814 4.777 1.00 0.00 C ATOM 1427 CD LYS A 96 12.775 9.837 5.415 1.00 0.00 C ATOM 1428 CE LYS A 96 12.358 10.217 6.836 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.330 11.694 7.029 1.00 0.00 N ATOM 0 H LYS A 96 10.398 5.788 4.830 1.00 0.00 H new ATOM 0 HA LYS A 96 11.953 7.151 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.025 6.917 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.464 7.426 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.660 9.084 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.865 8.854 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.786 9.430 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.804 10.734 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.372 9.804 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.050 9.770 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.043 11.911 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.277 12.085 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.650 12.118 6.366 1.00 0.00 H new ATOM 1443 N ILE A 97 14.025 5.677 2.649 1.00 0.00 N ATOM 1444 CA ILE A 97 15.066 4.684 2.362 1.00 0.00 C ATOM 1445 C ILE A 97 16.424 5.363 2.218 1.00 0.00 C ATOM 1446 O ILE A 97 16.630 6.173 1.313 1.00 0.00 O ATOM 1447 CB ILE A 97 14.763 3.833 1.099 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.281 3.397 1.098 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.700 2.625 1.048 1.00 0.00 C ATOM 1450 CD1 ILE A 97 12.865 2.512 -0.051 1.00 0.00 C ATOM 0 H ILE A 97 14.178 6.583 2.207 1.00 0.00 H new ATOM 0 HA ILE A 97 15.083 4.000 3.211 1.00 0.00 H new ATOM 0 HB ILE A 97 14.937 4.433 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.074 2.873 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.657 4.291 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.482 2.033 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.734 2.968 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.553 2.013 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.808 2.265 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.032 3.036 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.455 1.595 -0.036 1.00 0.00 H new ATOM 1462 N PHE A 98 17.340 5.042 3.137 1.00 0.00 N ATOM 1463 CA PHE A 98 18.687 5.630 3.151 1.00 0.00 C ATOM 1464 C PHE A 98 19.756 4.555 2.939 1.00 0.00 C ATOM 1465 O PHE A 98 19.708 3.488 3.556 1.00 0.00 O ATOM 1466 CB PHE A 98 18.950 6.401 4.474 1.00 0.00 C ATOM 1467 CG PHE A 98 18.082 5.981 5.639 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.793 6.479 5.768 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.548 5.084 6.586 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.988 6.088 6.819 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.745 4.693 7.641 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.464 5.197 7.755 1.00 0.00 C ATOM 0 H PHE A 98 17.173 4.372 3.888 1.00 0.00 H new ATOM 0 HA PHE A 98 18.744 6.340 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.996 6.269 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.800 7.465 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.416 7.180 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.548 4.686 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.986 6.481 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 98 18.119 3.994 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.835 4.892 8.579 1.00 0.00 H new ATOM 1482 N GLN A 99 20.718 4.852 2.059 1.00 0.00 N ATOM 1483 CA GLN A 99 21.809 3.930 1.751 1.00 0.00 C ATOM 1484 C GLN A 99 22.985 4.146 2.698 1.00 0.00 C ATOM 1485 O GLN A 99 23.457 5.298 2.802 1.00 0.00 O ATOM 1486 CB GLN A 99 22.262 4.124 0.302 1.00 0.00 C ATOM 1487 CG GLN A 99 23.022 2.938 -0.269 1.00 0.00 C ATOM 1488 CD GLN A 99 23.742 3.276 -1.564 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.932 2.999 -1.712 1.00 0.00 O ATOM 1490 NE2 GLN A 99 23.025 3.880 -2.513 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.427 3.161 3.327 1.00 0.00 O ATOM 0 H GLN A 99 20.760 5.732 1.545 1.00 0.00 H new ATOM 0 HA GLN A 99 21.446 2.911 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.387 4.316 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.894 5.010 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.747 2.588 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 99 22.327 2.117 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 99 22.041 4.092 -2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.461 4.129 -3.401 1.00 0.00 H new TER 1500 GLN A 99