USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 782 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 98 GLN : amide:sc= -0.977 K(o=-0.95,f=-7.6!) USER MOD Set 1.2: A 102 THR OG1 : rot -159:sc= 0.0318 USER MOD Set 2.1: A 70 HIS : no HD1:sc= 0.766 K(o=-0.8,f=-6.3!) USER MOD Set 2.2: A 90 GLN : amide:sc= -1.56 K(o=-0.8,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -151:sc= 0.897 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.665! (180deg=-3!) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 7 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.6!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 13 HIS :FLIP no HD1:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= -4.15! (180deg=-6.12!) USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= -2.13! (180deg=-4.51!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.07 USER MOD Single : A 24 SER OG : rot -125:sc= 0.724! USER MOD Single : A 27 ASN :FLIP amide:sc= -3.12 F(o=-3.9!,f=-3.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 109:sc= 0.126 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0404 F(o=-1.6!,f=-0.04) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.965 F(o=-1.7,f=-0.97) USER MOD Single : A 44 SER OG : rot 78:sc= 1.01 USER MOD Single : A 59 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.96 F(o=-2!,f=-0.96) USER MOD Single : A 64 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 67 MET CE :methyl 160:sc= 0 (180deg=-0.63) USER MOD Single : A 77 LYS NZ :NH3+ -111:sc= 1.39 (180deg=0.846) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -134:sc= -0.277! USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= -0.0271 (180deg=-1.86!) USER MOD Single : A 94 SER OG : rot 18:sc= 0.133 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.734 15.294 3.251 1.00 0.00 N ATOM 2 CA GLY A 1 -2.615 14.554 4.184 1.00 0.00 C ATOM 3 C GLY A 1 -3.911 15.292 4.432 1.00 0.00 C ATOM 4 O GLY A 1 -3.908 16.495 4.704 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.855 14.758 3.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.220 15.418 2.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.508 16.226 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.831 13.567 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.096 14.401 5.130 1.00 0.00 H new ATOM 10 N SER A 2 -5.022 14.580 4.324 1.00 0.00 N ATOM 11 CA SER A 2 -6.332 15.189 4.470 1.00 0.00 C ATOM 12 C SER A 2 -6.695 15.413 5.937 1.00 0.00 C ATOM 13 O SER A 2 -7.270 16.447 6.284 1.00 0.00 O ATOM 14 CB SER A 2 -7.384 14.323 3.782 1.00 0.00 C ATOM 15 OG SER A 2 -7.060 14.137 2.412 1.00 0.00 O ATOM 0 H SER A 2 -5.041 13.578 4.135 1.00 0.00 H new ATOM 0 HA SER A 2 -6.303 16.169 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.449 13.356 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.364 14.793 3.869 1.00 0.00 H new ATOM 0 HG SER A 2 -7.883 14.010 1.896 1.00 0.00 H new ATOM 21 N GLU A 3 -6.354 14.438 6.781 1.00 0.00 N ATOM 22 CA GLU A 3 -6.597 14.507 8.223 1.00 0.00 C ATOM 23 C GLU A 3 -8.093 14.454 8.541 1.00 0.00 C ATOM 24 O GLU A 3 -8.605 13.425 8.984 1.00 0.00 O ATOM 25 CB GLU A 3 -5.949 15.766 8.827 1.00 0.00 C ATOM 26 CG GLU A 3 -6.248 15.984 10.304 1.00 0.00 C ATOM 27 CD GLU A 3 -5.977 14.757 11.147 1.00 0.00 C ATOM 28 OE1 GLU A 3 -4.821 14.287 11.169 1.00 0.00 O ATOM 29 OE2 GLU A 3 -6.926 14.246 11.774 1.00 0.00 O ATOM 0 H GLU A 3 -5.900 13.575 6.483 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.133 13.633 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.869 15.703 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.289 16.638 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.644 16.813 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.292 16.274 10.419 1.00 0.00 H new ATOM 36 N LYS A 4 -8.789 15.556 8.309 1.00 0.00 N ATOM 37 CA LYS A 4 -10.210 15.630 8.594 1.00 0.00 C ATOM 38 C LYS A 4 -10.874 16.676 7.707 1.00 0.00 C ATOM 39 O LYS A 4 -11.139 17.804 8.130 1.00 0.00 O ATOM 40 CB LYS A 4 -10.440 15.952 10.073 1.00 0.00 C ATOM 41 CG LYS A 4 -11.834 15.590 10.565 1.00 0.00 C ATOM 42 CD LYS A 4 -12.132 14.102 10.404 1.00 0.00 C ATOM 43 CE LYS A 4 -11.442 13.238 11.460 1.00 0.00 C ATOM 44 NZ LYS A 4 -9.960 13.248 11.344 1.00 0.00 N ATOM 0 H LYS A 4 -8.390 16.412 7.923 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.660 14.661 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.702 15.418 10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.272 17.017 10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.931 15.867 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.574 16.169 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.209 13.944 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.814 13.778 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.725 13.591 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.800 12.212 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.581 12.334 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.690 13.406 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.571 14.011 11.934 1.00 0.00 H new ATOM 58 N ARG A 5 -11.127 16.288 6.468 1.00 0.00 N ATOM 59 CA ARG A 5 -11.788 17.152 5.497 1.00 0.00 C ATOM 60 C ARG A 5 -12.800 16.325 4.727 1.00 0.00 C ATOM 61 O ARG A 5 -14.010 16.406 4.945 1.00 0.00 O ATOM 62 CB ARG A 5 -10.780 17.736 4.495 1.00 0.00 C ATOM 63 CG ARG A 5 -9.550 18.372 5.121 1.00 0.00 C ATOM 64 CD ARG A 5 -8.557 18.812 4.054 1.00 0.00 C ATOM 65 NE ARG A 5 -8.114 17.687 3.223 1.00 0.00 N ATOM 66 CZ ARG A 5 -7.628 17.813 1.983 1.00 0.00 C ATOM 67 NH1 ARG A 5 -7.524 19.014 1.427 1.00 0.00 N ATOM 68 NH2 ARG A 5 -7.248 16.735 1.302 1.00 0.00 N ATOM 0 H ARG A 5 -10.881 15.367 6.105 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.267 17.972 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.457 16.942 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.287 18.484 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.847 19.231 5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.073 17.661 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.016 19.572 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.692 19.274 4.531 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.181 16.748 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.815 19.843 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.153 19.108 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.327 15.810 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.878 16.833 0.357 1.00 0.00 H new ATOM 82 N GLN A 6 -12.256 15.513 3.838 1.00 0.00 N ATOM 83 CA GLN A 6 -13.010 14.577 3.034 1.00 0.00 C ATOM 84 C GLN A 6 -12.021 13.725 2.263 1.00 0.00 C ATOM 85 O GLN A 6 -10.863 14.113 2.096 1.00 0.00 O ATOM 86 CB GLN A 6 -13.951 15.296 2.061 1.00 0.00 C ATOM 87 CG GLN A 6 -13.246 16.242 1.101 1.00 0.00 C ATOM 88 CD GLN A 6 -14.187 16.812 0.058 1.00 0.00 C ATOM 89 OE1 GLN A 6 -15.389 16.949 0.298 1.00 0.00 O ATOM 90 NE2 GLN A 6 -13.652 17.149 -1.102 1.00 0.00 N ATOM 0 H GLN A 6 -11.253 15.488 3.653 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.631 13.962 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.498 14.551 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.688 15.859 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.795 17.059 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.434 15.712 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.653 17.019 -1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.238 17.539 -1.840 1.00 0.00 H new ATOM 99 N HIS A 7 -12.454 12.567 1.816 1.00 0.00 N ATOM 100 CA HIS A 7 -11.589 11.697 1.043 1.00 0.00 C ATOM 101 C HIS A 7 -11.685 12.055 -0.430 1.00 0.00 C ATOM 102 O HIS A 7 -12.575 11.580 -1.128 1.00 0.00 O ATOM 103 CB HIS A 7 -11.946 10.230 1.291 1.00 0.00 C ATOM 104 CG HIS A 7 -11.655 9.797 2.696 1.00 0.00 C ATOM 105 ND1 HIS A 7 -10.584 9.003 3.028 1.00 0.00 N ATOM 106 CD2 HIS A 7 -12.282 10.084 3.862 1.00 0.00 C ATOM 107 CE1 HIS A 7 -10.560 8.821 4.334 1.00 0.00 C ATOM 108 NE2 HIS A 7 -11.578 9.469 4.866 1.00 0.00 N ATOM 0 H HIS A 7 -13.395 12.205 1.972 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.556 11.839 1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.004 10.076 1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.387 9.601 0.598 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.912 8.614 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.171 10.685 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.830 8.239 4.877 1.00 0.00 H new ATOM 117 N SER A 8 -10.758 12.912 -0.866 1.00 0.00 N ATOM 118 CA SER A 8 -10.749 13.491 -2.212 1.00 0.00 C ATOM 119 C SER A 8 -11.163 12.491 -3.292 1.00 0.00 C ATOM 120 O SER A 8 -10.428 11.553 -3.617 1.00 0.00 O ATOM 121 CB SER A 8 -9.356 14.050 -2.509 1.00 0.00 C ATOM 122 OG SER A 8 -8.955 14.962 -1.494 1.00 0.00 O ATOM 0 H SER A 8 -9.981 13.228 -0.285 1.00 0.00 H new ATOM 0 HA SER A 8 -11.490 14.290 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.637 13.233 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.359 14.552 -3.476 1.00 0.00 H new ATOM 0 HG SER A 8 -8.061 15.308 -1.700 1.00 0.00 H new ATOM 128 N SER A 9 -12.351 12.707 -3.842 1.00 0.00 N ATOM 129 CA SER A 9 -12.898 11.843 -4.872 1.00 0.00 C ATOM 130 C SER A 9 -12.308 12.196 -6.231 1.00 0.00 C ATOM 131 O SER A 9 -12.981 12.776 -7.083 1.00 0.00 O ATOM 132 CB SER A 9 -14.426 11.969 -4.915 1.00 0.00 C ATOM 133 OG SER A 9 -14.996 11.004 -5.781 1.00 0.00 O ATOM 0 H SER A 9 -12.959 13.485 -3.585 1.00 0.00 H new ATOM 0 HA SER A 9 -12.635 10.812 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.832 11.845 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.702 12.969 -5.249 1.00 0.00 H new ATOM 0 HG SER A 9 -15.971 11.106 -5.788 1.00 0.00 H new ATOM 139 N GLN A 10 -11.046 11.855 -6.433 1.00 0.00 N ATOM 140 CA GLN A 10 -10.395 12.123 -7.702 1.00 0.00 C ATOM 141 C GLN A 10 -9.961 10.831 -8.377 1.00 0.00 C ATOM 142 O GLN A 10 -9.051 10.829 -9.204 1.00 0.00 O ATOM 143 CB GLN A 10 -9.205 13.061 -7.518 1.00 0.00 C ATOM 144 CG GLN A 10 -9.618 14.450 -7.066 1.00 0.00 C ATOM 145 CD GLN A 10 -8.449 15.405 -6.922 1.00 0.00 C ATOM 146 OE1 GLN A 10 -7.278 14.872 -6.612 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 -8.596 16.613 -7.093 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.456 11.395 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.120 12.616 -8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.521 12.634 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.659 13.137 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.329 14.862 -7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.137 14.375 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.515 16.986 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.799 17.242 -6.997 1.00 0.00 H new ATOM 156 N ASP A 11 -10.638 9.739 -8.001 1.00 0.00 N ATOM 157 CA ASP A 11 -10.399 8.413 -8.570 1.00 0.00 C ATOM 158 C ASP A 11 -8.933 8.006 -8.407 1.00 0.00 C ATOM 159 O ASP A 11 -8.113 8.219 -9.301 1.00 0.00 O ATOM 160 CB ASP A 11 -10.785 8.413 -10.051 1.00 0.00 C ATOM 161 CG ASP A 11 -12.236 8.779 -10.298 1.00 0.00 C ATOM 162 OD1 ASP A 11 -13.094 7.876 -10.309 1.00 0.00 O ATOM 163 OD2 ASP A 11 -12.524 9.976 -10.506 1.00 0.00 O ATOM 0 H ASP A 11 -11.369 9.754 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.013 7.688 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.145 9.116 -10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.592 7.425 -10.469 1.00 0.00 H new ATOM 168 N VAL A 12 -8.601 7.382 -7.288 1.00 0.00 N ATOM 169 CA VAL A 12 -7.198 7.209 -6.926 1.00 0.00 C ATOM 170 C VAL A 12 -6.811 5.738 -6.814 1.00 0.00 C ATOM 171 O VAL A 12 -7.662 4.847 -6.802 1.00 0.00 O ATOM 172 CB VAL A 12 -6.845 7.931 -5.605 1.00 0.00 C ATOM 173 CG1 VAL A 12 -7.244 9.400 -5.657 1.00 0.00 C ATOM 174 CG2 VAL A 12 -7.491 7.237 -4.423 1.00 0.00 C ATOM 0 H VAL A 12 -9.269 6.992 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.626 7.661 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.764 7.884 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.983 9.881 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.716 9.892 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.319 9.480 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.229 7.762 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.574 7.241 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.136 6.208 -4.366 1.00 0.00 H new ATOM 184 N HIS A 13 -5.510 5.498 -6.752 1.00 0.00 N ATOM 185 CA HIS A 13 -4.979 4.148 -6.668 1.00 0.00 C ATOM 186 C HIS A 13 -4.516 3.855 -5.248 1.00 0.00 C ATOM 187 O HIS A 13 -3.815 4.663 -4.635 1.00 0.00 O ATOM 188 CB HIS A 13 -3.788 3.967 -7.624 1.00 0.00 C ATOM 189 CG HIS A 13 -4.051 4.384 -9.041 1.00 0.00 C ATOM 190 ND1 HIS A 13 -5.007 4.004 -9.920 1.00 0.00 N flip ATOM 191 CD2 HIS A 13 -3.272 5.307 -9.706 1.00 0.00 C flip ATOM 192 CE1 HIS A 13 -4.791 4.699 -11.081 1.00 0.00 C flip ATOM 193 NE2 HIS A 13 -3.740 5.479 -10.927 1.00 0.00 N flip ATOM 0 H HIS A 13 -4.798 6.228 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.774 3.458 -6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.943 4.540 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.491 2.918 -7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.412 5.811 -9.291 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.387 4.620 -11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.355 6.108 -11.631 1.00 0.00 H new ATOM 202 N VAL A 14 -4.912 2.706 -4.732 1.00 0.00 N ATOM 203 CA VAL A 14 -4.406 2.226 -3.463 1.00 0.00 C ATOM 204 C VAL A 14 -3.384 1.134 -3.728 1.00 0.00 C ATOM 205 O VAL A 14 -3.708 0.064 -4.245 1.00 0.00 O ATOM 206 CB VAL A 14 -5.519 1.712 -2.514 1.00 0.00 C ATOM 207 CG1 VAL A 14 -6.395 2.863 -2.049 1.00 0.00 C ATOM 208 CG2 VAL A 14 -6.372 0.629 -3.164 1.00 0.00 C ATOM 0 H VAL A 14 -5.588 2.085 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.944 3.069 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.026 1.266 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.171 2.484 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.785 3.592 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.859 3.339 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.138 0.299 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.848 1.029 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.741 -0.217 -3.436 1.00 0.00 H new ATOM 218 N VAL A 15 -2.138 1.428 -3.425 1.00 0.00 N ATOM 219 CA VAL A 15 -1.055 0.527 -3.764 1.00 0.00 C ATOM 220 C VAL A 15 -0.969 -0.633 -2.789 1.00 0.00 C ATOM 221 O VAL A 15 -0.981 -0.454 -1.569 1.00 0.00 O ATOM 222 CB VAL A 15 0.302 1.264 -3.831 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.650 1.874 -2.486 1.00 0.00 C ATOM 224 CG2 VAL A 15 1.408 0.330 -4.304 1.00 0.00 C ATOM 0 H VAL A 15 -1.849 2.281 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.278 0.130 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 15 0.211 2.071 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.609 2.388 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.123 2.587 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.715 1.087 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.352 0.874 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.499 -0.507 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.166 -0.047 -5.298 1.00 0.00 H new ATOM 234 N LEU A 16 -0.915 -1.822 -3.345 1.00 0.00 N ATOM 235 CA LEU A 16 -0.674 -3.012 -2.575 1.00 0.00 C ATOM 236 C LEU A 16 0.727 -3.500 -2.886 1.00 0.00 C ATOM 237 O LEU A 16 1.030 -3.859 -4.021 1.00 0.00 O ATOM 238 CB LEU A 16 -1.692 -4.103 -2.914 1.00 0.00 C ATOM 239 CG LEU A 16 -2.001 -5.073 -1.773 1.00 0.00 C ATOM 240 CD1 LEU A 16 -2.796 -6.262 -2.262 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.736 -5.556 -1.105 1.00 0.00 C ATOM 0 H LEU A 16 -1.037 -1.987 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.775 -2.784 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.621 -3.627 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.321 -4.673 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.598 -4.525 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.999 -6.932 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.738 -5.919 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.225 -6.794 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.990 -6.244 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.112 -6.069 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.192 -4.704 -0.697 1.00 0.00 H new ATOM 253 N LYS A 17 1.579 -3.505 -1.887 1.00 0.00 N ATOM 254 CA LYS A 17 2.933 -3.966 -2.079 1.00 0.00 C ATOM 255 C LYS A 17 3.099 -5.358 -1.489 1.00 0.00 C ATOM 256 O LYS A 17 2.574 -5.655 -0.414 1.00 0.00 O ATOM 257 CB LYS A 17 3.931 -2.990 -1.458 1.00 0.00 C ATOM 258 CG LYS A 17 3.786 -1.564 -1.960 1.00 0.00 C ATOM 259 CD LYS A 17 4.717 -0.631 -1.215 1.00 0.00 C ATOM 260 CE LYS A 17 4.654 0.783 -1.760 1.00 0.00 C ATOM 261 NZ LYS A 17 5.114 0.873 -3.166 1.00 0.00 N ATOM 0 H LYS A 17 1.360 -3.197 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 17 3.136 -4.016 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.808 -2.999 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.943 -3.338 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.004 -1.526 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.755 -1.233 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.455 -0.625 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.739 -1.003 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.630 1.149 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.267 1.436 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.897 1.554 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.440 -0.062 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.328 1.190 -3.769 1.00 0.00 H new ATOM 275 N LEU A 18 3.836 -6.189 -2.204 1.00 0.00 N ATOM 276 CA LEU A 18 4.085 -7.568 -1.813 1.00 0.00 C ATOM 277 C LEU A 18 5.462 -7.655 -1.177 1.00 0.00 C ATOM 278 O LEU A 18 6.457 -7.214 -1.762 1.00 0.00 O ATOM 279 CB LEU A 18 4.003 -8.458 -3.071 1.00 0.00 C ATOM 280 CG LEU A 18 5.063 -9.564 -3.222 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.821 -10.731 -2.277 1.00 0.00 C ATOM 282 CD2 LEU A 18 5.101 -10.056 -4.662 1.00 0.00 C ATOM 0 H LEU A 18 4.284 -5.924 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 18 3.344 -7.909 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.020 -8.928 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.063 -7.811 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 18 6.026 -9.128 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.596 -11.484 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.849 -10.377 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.845 -11.170 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.854 -10.838 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.125 -10.456 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.352 -9.227 -5.323 1.00 0.00 H new ATOM 294 N TRP A 19 5.509 -8.191 0.029 1.00 0.00 N ATOM 295 CA TRP A 19 6.740 -8.256 0.792 1.00 0.00 C ATOM 296 C TRP A 19 7.109 -9.705 1.077 1.00 0.00 C ATOM 297 O TRP A 19 6.454 -10.621 0.589 1.00 0.00 O ATOM 298 CB TRP A 19 6.588 -7.518 2.113 1.00 0.00 C ATOM 299 CG TRP A 19 5.922 -6.185 2.009 1.00 0.00 C ATOM 300 CD1 TRP A 19 4.627 -5.909 2.317 1.00 0.00 C ATOM 301 CD2 TRP A 19 6.506 -4.951 1.584 1.00 0.00 C ATOM 302 NE1 TRP A 19 4.380 -4.576 2.158 1.00 0.00 N ATOM 303 CE2 TRP A 19 5.511 -3.969 1.703 1.00 0.00 C ATOM 304 CE3 TRP A 19 7.773 -4.574 1.132 1.00 0.00 C ATOM 305 CZ2 TRP A 19 5.737 -2.639 1.392 1.00 0.00 C ATOM 306 CZ3 TRP A 19 7.995 -3.252 0.811 1.00 0.00 C ATOM 307 CH2 TRP A 19 6.982 -2.296 0.946 1.00 0.00 C ATOM 0 H TRP A 19 4.700 -8.591 0.504 1.00 0.00 H new ATOM 0 HA TRP A 19 7.527 -7.786 0.202 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.016 -8.143 2.799 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.576 -7.382 2.554 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.899 -6.639 2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.493 -4.110 2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.563 -5.304 1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.957 -1.899 1.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.967 -2.949 0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.188 -1.267 0.693 1.00 0.00 H new ATOM 318 N LYS A 20 8.157 -9.912 1.862 1.00 0.00 N ATOM 319 CA LYS A 20 8.572 -11.260 2.219 1.00 0.00 C ATOM 320 C LYS A 20 7.736 -11.805 3.367 1.00 0.00 C ATOM 321 O LYS A 20 7.609 -13.016 3.534 1.00 0.00 O ATOM 322 CB LYS A 20 10.074 -11.307 2.548 1.00 0.00 C ATOM 323 CG LYS A 20 10.546 -10.289 3.584 1.00 0.00 C ATOM 324 CD LYS A 20 10.304 -10.737 5.023 1.00 0.00 C ATOM 325 CE LYS A 20 11.213 -11.891 5.435 1.00 0.00 C ATOM 326 NZ LYS A 20 10.751 -13.201 4.899 1.00 0.00 N ATOM 0 H LYS A 20 8.731 -9.169 2.261 1.00 0.00 H new ATOM 0 HA LYS A 20 8.403 -11.902 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.320 -12.307 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.636 -11.151 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.611 -10.104 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.032 -9.343 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.465 -9.894 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.263 -11.040 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.226 -11.695 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.258 -11.943 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.732 -13.903 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.795 -13.096 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.402 -13.520 4.153 1.00 0.00 H new ATOM 340 N SER A 21 7.167 -10.905 4.152 1.00 0.00 N ATOM 341 CA SER A 21 6.323 -11.302 5.261 1.00 0.00 C ATOM 342 C SER A 21 4.854 -11.186 4.887 1.00 0.00 C ATOM 343 O SER A 21 4.067 -12.088 5.163 1.00 0.00 O ATOM 344 CB SER A 21 6.625 -10.451 6.496 1.00 0.00 C ATOM 345 OG SER A 21 7.978 -10.594 6.893 1.00 0.00 O ATOM 0 H SER A 21 7.275 -9.897 4.040 1.00 0.00 H new ATOM 0 HA SER A 21 6.537 -12.345 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.414 -9.403 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.969 -10.746 7.315 1.00 0.00 H new ATOM 0 HG SER A 21 8.147 -10.039 7.683 1.00 0.00 H new ATOM 351 N GLY A 22 4.484 -10.082 4.246 1.00 0.00 N ATOM 352 CA GLY A 22 3.094 -9.870 3.917 1.00 0.00 C ATOM 353 C GLY A 22 2.880 -8.827 2.851 1.00 0.00 C ATOM 354 O GLY A 22 3.621 -8.758 1.878 1.00 0.00 O ATOM 0 H GLY A 22 5.118 -9.339 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.660 -10.813 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.557 -9.573 4.818 1.00 0.00 H new ATOM 358 N PHE A 23 1.858 -8.017 3.047 1.00 0.00 N ATOM 359 CA PHE A 23 1.452 -7.023 2.070 1.00 0.00 C ATOM 360 C PHE A 23 1.015 -5.747 2.775 1.00 0.00 C ATOM 361 O PHE A 23 0.529 -5.794 3.903 1.00 0.00 O ATOM 362 CB PHE A 23 0.306 -7.586 1.223 1.00 0.00 C ATOM 363 CG PHE A 23 -0.918 -7.938 2.034 1.00 0.00 C ATOM 364 CD1 PHE A 23 -1.000 -9.139 2.721 1.00 0.00 C ATOM 365 CD2 PHE A 23 -1.979 -7.050 2.124 1.00 0.00 C ATOM 366 CE1 PHE A 23 -2.113 -9.447 3.478 1.00 0.00 C ATOM 367 CE2 PHE A 23 -3.094 -7.354 2.877 1.00 0.00 C ATOM 368 CZ PHE A 23 -3.161 -8.553 3.557 1.00 0.00 C ATOM 0 H PHE A 23 1.284 -8.029 3.890 1.00 0.00 H new ATOM 0 HA PHE A 23 2.294 -6.785 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.032 -6.855 0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.654 -8.476 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.183 -9.843 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.932 -6.108 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.163 -10.387 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.914 -6.654 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.032 -8.791 4.150 1.00 0.00 H new ATOM 378 N SER A 24 1.206 -4.613 2.127 1.00 0.00 N ATOM 379 CA SER A 24 0.795 -3.340 2.699 1.00 0.00 C ATOM 380 C SER A 24 0.004 -2.530 1.698 1.00 0.00 C ATOM 381 O SER A 24 0.270 -2.581 0.496 1.00 0.00 O ATOM 382 CB SER A 24 2.010 -2.534 3.127 1.00 0.00 C ATOM 383 OG SER A 24 2.815 -2.209 2.006 1.00 0.00 O ATOM 0 H SER A 24 1.641 -4.545 1.207 1.00 0.00 H new ATOM 0 HA SER A 24 0.169 -3.554 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.689 -1.621 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.595 -3.104 3.848 1.00 0.00 H new ATOM 0 HG SER A 24 3.731 -2.522 2.159 1.00 0.00 H new ATOM 389 N LEU A 25 -0.942 -1.768 2.207 1.00 0.00 N ATOM 390 CA LEU A 25 -1.769 -0.915 1.378 1.00 0.00 C ATOM 391 C LEU A 25 -1.369 0.529 1.646 1.00 0.00 C ATOM 392 O LEU A 25 -0.781 0.821 2.682 1.00 0.00 O ATOM 393 CB LEU A 25 -3.256 -1.145 1.702 1.00 0.00 C ATOM 394 CG LEU A 25 -3.630 -2.574 2.129 1.00 0.00 C ATOM 395 CD1 LEU A 25 -5.136 -2.716 2.304 1.00 0.00 C ATOM 396 CD2 LEU A 25 -3.109 -3.592 1.129 1.00 0.00 C ATOM 0 H LEU A 25 -1.159 -1.722 3.203 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.623 -1.147 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.546 -0.460 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.846 -0.881 0.824 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.158 -2.769 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.373 -3.736 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.480 -2.022 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.635 -2.492 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.386 -4.595 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.543 -3.394 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.023 -3.518 1.067 1.00 0.00 H new ATOM 408 N ASP A 26 -1.684 1.425 0.718 1.00 0.00 N ATOM 409 CA ASP A 26 -1.283 2.834 0.825 1.00 0.00 C ATOM 410 C ASP A 26 -1.913 3.504 2.048 1.00 0.00 C ATOM 411 O ASP A 26 -1.530 4.605 2.444 1.00 0.00 O ATOM 412 CB ASP A 26 -1.680 3.585 -0.450 1.00 0.00 C ATOM 413 CG ASP A 26 -1.091 4.982 -0.520 1.00 0.00 C ATOM 414 OD1 ASP A 26 0.147 5.115 -0.396 1.00 0.00 O ATOM 415 OD2 ASP A 26 -1.857 5.946 -0.734 1.00 0.00 O ATOM 0 H ASP A 26 -2.218 1.205 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.200 2.870 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.352 3.014 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.767 3.651 -0.503 1.00 0.00 H new ATOM 420 N ASN A 27 -2.875 2.819 2.637 1.00 0.00 N ATOM 421 CA ASN A 27 -3.580 3.300 3.814 1.00 0.00 C ATOM 422 C ASN A 27 -2.956 2.780 5.106 1.00 0.00 C ATOM 423 O ASN A 27 -3.067 3.414 6.155 1.00 0.00 O ATOM 424 CB ASN A 27 -5.043 2.856 3.744 1.00 0.00 C ATOM 425 CG ASN A 27 -5.178 1.421 3.254 1.00 0.00 C ATOM 426 OD1 ASN A 27 -5.093 0.460 4.163 1.00 0.00 O flip ATOM 427 ND2 ASN A 27 -5.333 1.179 2.059 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.193 1.906 2.311 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.510 4.388 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.498 2.947 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.593 3.520 3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.394 1.944 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.400 0.213 1.739 1.00 0.00 H new ATOM 434 N GLY A 28 -2.283 1.641 5.031 1.00 0.00 N ATOM 435 CA GLY A 28 -1.805 0.995 6.237 1.00 0.00 C ATOM 436 C GLY A 28 -0.381 0.496 6.118 1.00 0.00 C ATOM 437 O GLY A 28 0.377 0.950 5.260 1.00 0.00 O ATOM 0 H GLY A 28 -2.060 1.155 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.869 1.697 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.459 0.156 6.477 1.00 0.00 H new ATOM 441 N GLU A 29 -0.018 -0.438 6.983 1.00 0.00 N ATOM 442 CA GLU A 29 1.327 -0.980 6.998 1.00 0.00 C ATOM 443 C GLU A 29 1.344 -2.430 6.517 1.00 0.00 C ATOM 444 O GLU A 29 0.335 -2.947 6.031 1.00 0.00 O ATOM 445 CB GLU A 29 1.918 -0.865 8.404 1.00 0.00 C ATOM 446 CG GLU A 29 1.989 0.571 8.896 1.00 0.00 C ATOM 447 CD GLU A 29 2.679 0.705 10.237 1.00 0.00 C ATOM 448 OE1 GLU A 29 3.921 0.833 10.261 1.00 0.00 O ATOM 449 OE2 GLU A 29 1.981 0.689 11.276 1.00 0.00 O ATOM 0 H GLU A 29 -0.641 -0.836 7.686 1.00 0.00 H new ATOM 0 HA GLU A 29 1.941 -0.400 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.315 -1.452 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.919 -1.296 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.518 1.176 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.979 0.973 8.972 1.00 0.00 H new ATOM 456 N LEU A 30 2.498 -3.072 6.650 1.00 0.00 N ATOM 457 CA LEU A 30 2.696 -4.430 6.160 1.00 0.00 C ATOM 458 C LEU A 30 2.002 -5.424 7.080 1.00 0.00 C ATOM 459 O LEU A 30 2.215 -5.431 8.293 1.00 0.00 O ATOM 460 CB LEU A 30 4.210 -4.709 6.049 1.00 0.00 C ATOM 461 CG LEU A 30 4.679 -6.051 5.449 1.00 0.00 C ATOM 462 CD1 LEU A 30 6.182 -6.081 5.344 1.00 0.00 C ATOM 463 CD2 LEU A 30 4.258 -7.238 6.263 1.00 0.00 C ATOM 0 H LEU A 30 3.320 -2.668 7.099 1.00 0.00 H new ATOM 0 HA LEU A 30 2.253 -4.542 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.649 -3.910 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.634 -4.629 7.050 1.00 0.00 H new ATOM 0 HG LEU A 30 4.209 -6.117 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.498 -7.034 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.518 -5.268 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.618 -5.963 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.618 -8.151 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.679 -7.160 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.170 -7.268 6.328 1.00 0.00 H new ATOM 475 N ARG A 31 1.157 -6.241 6.487 1.00 0.00 N ATOM 476 CA ARG A 31 0.482 -7.310 7.193 1.00 0.00 C ATOM 477 C ARG A 31 0.910 -8.654 6.613 1.00 0.00 C ATOM 478 O ARG A 31 0.748 -8.892 5.419 1.00 0.00 O ATOM 479 CB ARG A 31 -1.026 -7.132 7.069 1.00 0.00 C ATOM 480 CG ARG A 31 -1.562 -5.916 7.804 1.00 0.00 C ATOM 481 CD ARG A 31 -3.067 -5.809 7.650 1.00 0.00 C ATOM 482 NE ARG A 31 -3.633 -4.719 8.441 1.00 0.00 N ATOM 483 CZ ARG A 31 -4.264 -3.674 7.914 1.00 0.00 C ATOM 484 NH1 ARG A 31 -4.268 -3.492 6.602 1.00 0.00 N ATOM 485 NH2 ARG A 31 -4.867 -2.793 8.699 1.00 0.00 N ATOM 0 H ARG A 31 0.918 -6.182 5.497 1.00 0.00 H new ATOM 0 HA ARG A 31 0.752 -7.281 8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.287 -7.052 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.521 -8.024 7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.305 -5.983 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.088 -5.014 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.312 -5.656 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.528 -6.750 7.951 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.539 -4.762 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.786 -4.154 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.753 -2.690 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.848 -2.915 9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.350 -1.993 8.291 1.00 0.00 H new ATOM 499 N SER A 32 1.455 -9.521 7.459 1.00 0.00 N ATOM 500 CA SER A 32 2.058 -10.772 7.004 1.00 0.00 C ATOM 501 C SER A 32 1.003 -11.759 6.492 1.00 0.00 C ATOM 502 O SER A 32 -0.144 -11.753 6.946 1.00 0.00 O ATOM 503 CB SER A 32 2.888 -11.387 8.132 1.00 0.00 C ATOM 504 OG SER A 32 3.776 -10.425 8.680 1.00 0.00 O ATOM 0 H SER A 32 1.492 -9.381 8.469 1.00 0.00 H new ATOM 0 HA SER A 32 2.715 -10.549 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.227 -11.766 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.454 -12.238 7.752 1.00 0.00 H new ATOM 0 HG SER A 32 4.298 -10.835 9.401 1.00 0.00 H new ATOM 510 N TYR A 33 1.412 -12.612 5.548 1.00 0.00 N ATOM 511 CA TYR A 33 0.504 -13.541 4.865 1.00 0.00 C ATOM 512 C TYR A 33 0.112 -14.718 5.763 1.00 0.00 C ATOM 513 O TYR A 33 0.108 -15.865 5.319 1.00 0.00 O ATOM 514 CB TYR A 33 1.165 -14.102 3.595 1.00 0.00 C ATOM 515 CG TYR A 33 1.527 -13.071 2.546 1.00 0.00 C ATOM 516 CD1 TYR A 33 0.554 -12.270 1.965 1.00 0.00 C ATOM 517 CD2 TYR A 33 2.846 -12.907 2.132 1.00 0.00 C ATOM 518 CE1 TYR A 33 0.881 -11.337 1.001 1.00 0.00 C ATOM 519 CE2 TYR A 33 3.182 -11.975 1.166 1.00 0.00 C ATOM 520 CZ TYR A 33 2.192 -11.191 0.606 1.00 0.00 C ATOM 521 OH TYR A 33 2.511 -10.256 -0.350 1.00 0.00 O ATOM 0 H TYR A 33 2.381 -12.679 5.235 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.392 -12.975 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.070 -14.638 3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.491 -14.832 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.476 -12.378 2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.620 -13.518 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.111 -10.723 0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.209 -11.861 0.853 1.00 0.00 H new ATOM 0 HH TYR A 33 3.003 -9.518 0.066 1.00 0.00 H new ATOM 531 N GLN A 34 -0.222 -14.439 7.013 1.00 0.00 N ATOM 532 CA GLN A 34 -0.541 -15.492 7.973 1.00 0.00 C ATOM 533 C GLN A 34 -1.712 -15.088 8.864 1.00 0.00 C ATOM 534 O GLN A 34 -2.606 -15.891 9.139 1.00 0.00 O ATOM 535 CB GLN A 34 0.672 -15.786 8.857 1.00 0.00 C ATOM 536 CG GLN A 34 1.935 -16.132 8.089 1.00 0.00 C ATOM 537 CD GLN A 34 3.150 -16.227 8.989 1.00 0.00 C ATOM 538 OE1 GLN A 34 3.158 -15.451 10.063 1.00 0.00 O flip ATOM 539 NE2 GLN A 34 4.080 -16.984 8.715 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.280 -13.493 7.390 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.815 -16.382 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.869 -14.917 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.429 -16.613 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.794 -17.081 7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.111 -15.375 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.035 -17.565 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.896 -17.030 9.325 1.00 0.00 H new ATOM 548 N ASP A 35 -1.683 -13.840 9.315 1.00 0.00 N ATOM 549 CA ASP A 35 -2.643 -13.324 10.290 1.00 0.00 C ATOM 550 C ASP A 35 -4.083 -13.416 9.783 1.00 0.00 C ATOM 551 O ASP A 35 -4.374 -13.077 8.632 1.00 0.00 O ATOM 552 CB ASP A 35 -2.300 -11.873 10.607 1.00 0.00 C ATOM 553 CG ASP A 35 -3.058 -11.334 11.794 1.00 0.00 C ATOM 554 OD1 ASP A 35 -4.247 -11.021 11.649 1.00 0.00 O ATOM 555 OD2 ASP A 35 -2.459 -11.211 12.880 1.00 0.00 O ATOM 0 H ASP A 35 -0.991 -13.153 9.015 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.575 -13.937 11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.230 -11.792 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.515 -11.256 9.735 1.00 0.00 H new ATOM 560 N PRO A 36 -5.004 -13.878 10.648 1.00 0.00 N ATOM 561 CA PRO A 36 -6.422 -14.046 10.304 1.00 0.00 C ATOM 562 C PRO A 36 -7.161 -12.725 10.065 1.00 0.00 C ATOM 563 O PRO A 36 -8.270 -12.726 9.531 1.00 0.00 O ATOM 564 CB PRO A 36 -7.016 -14.762 11.527 1.00 0.00 C ATOM 565 CG PRO A 36 -5.846 -15.268 12.300 1.00 0.00 C ATOM 566 CD PRO A 36 -4.732 -14.305 12.030 1.00 0.00 C ATOM 0 HA PRO A 36 -6.526 -14.593 9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.617 -14.079 12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.669 -15.580 11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.072 -15.316 13.365 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.576 -16.276 11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.746 -13.465 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.755 -14.779 12.123 1.00 0.00 H new ATOM 574 N SER A 37 -6.564 -11.604 10.454 1.00 0.00 N ATOM 575 CA SER A 37 -7.180 -10.305 10.220 1.00 0.00 C ATOM 576 C SER A 37 -6.779 -9.783 8.851 1.00 0.00 C ATOM 577 O SER A 37 -7.493 -9.004 8.234 1.00 0.00 O ATOM 578 CB SER A 37 -6.759 -9.309 11.295 1.00 0.00 C ATOM 579 OG SER A 37 -7.101 -9.775 12.591 1.00 0.00 O ATOM 0 H SER A 37 -5.662 -11.569 10.929 1.00 0.00 H new ATOM 0 HA SER A 37 -8.263 -10.423 10.260 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.683 -9.142 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.241 -8.348 11.113 1.00 0.00 H new ATOM 0 HG SER A 37 -6.818 -9.118 13.260 1.00 0.00 H new ATOM 585 N ASN A 38 -5.623 -10.222 8.387 1.00 0.00 N ATOM 586 CA ASN A 38 -5.146 -9.863 7.057 1.00 0.00 C ATOM 587 C ASN A 38 -5.853 -10.710 6.017 1.00 0.00 C ATOM 588 O ASN A 38 -5.876 -10.378 4.831 1.00 0.00 O ATOM 589 CB ASN A 38 -3.638 -10.082 6.945 1.00 0.00 C ATOM 590 CG ASN A 38 -2.878 -9.501 8.117 1.00 0.00 C ATOM 591 OD1 ASN A 38 -3.344 -8.584 8.788 1.00 0.00 O ATOM 592 ND2 ASN A 38 -1.685 -10.010 8.349 1.00 0.00 N ATOM 0 H ASN A 38 -4.993 -10.830 8.911 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.361 -8.808 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.434 -11.151 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.276 -9.630 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.113 -9.642 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.334 -10.772 7.769 1.00 0.00 H new ATOM 599 N ALA A 39 -6.427 -11.809 6.490 1.00 0.00 N ATOM 600 CA ALA A 39 -7.141 -12.752 5.639 1.00 0.00 C ATOM 601 C ALA A 39 -8.217 -12.072 4.792 1.00 0.00 C ATOM 602 O ALA A 39 -8.392 -12.424 3.630 1.00 0.00 O ATOM 603 CB ALA A 39 -7.752 -13.855 6.484 1.00 0.00 C ATOM 0 H ALA A 39 -6.411 -12.072 7.475 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.416 -13.182 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.284 -14.555 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.963 -14.383 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.449 -13.421 7.201 1.00 0.00 H new ATOM 609 N GLN A 40 -8.931 -11.100 5.366 1.00 0.00 N ATOM 610 CA GLN A 40 -9.966 -10.374 4.621 1.00 0.00 C ATOM 611 C GLN A 40 -9.401 -9.759 3.352 1.00 0.00 C ATOM 612 O GLN A 40 -9.864 -10.055 2.250 1.00 0.00 O ATOM 613 CB GLN A 40 -10.608 -9.273 5.467 1.00 0.00 C ATOM 614 CG GLN A 40 -9.645 -8.522 6.356 1.00 0.00 C ATOM 615 CD GLN A 40 -9.647 -7.012 6.138 1.00 0.00 C ATOM 616 OE1 GLN A 40 -9.775 -6.563 4.890 1.00 0.00 O flip ATOM 617 NE2 GLN A 40 -9.494 -6.248 7.087 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.814 -10.799 6.334 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.730 -11.106 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.099 -8.562 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.385 -9.717 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.892 -8.729 7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.638 -8.902 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.399 -6.621 8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.462 -5.241 6.931 1.00 0.00 H new ATOM 626 N PHE A 41 -8.431 -8.875 3.533 1.00 0.00 N ATOM 627 CA PHE A 41 -7.690 -8.285 2.418 1.00 0.00 C ATOM 628 C PHE A 41 -7.283 -9.358 1.422 1.00 0.00 C ATOM 629 O PHE A 41 -7.682 -9.316 0.267 1.00 0.00 O ATOM 630 CB PHE A 41 -6.422 -7.576 2.900 1.00 0.00 C ATOM 631 CG PHE A 41 -6.648 -6.524 3.939 1.00 0.00 C ATOM 632 CD1 PHE A 41 -7.141 -5.277 3.595 1.00 0.00 C ATOM 633 CD2 PHE A 41 -6.356 -6.786 5.264 1.00 0.00 C ATOM 634 CE1 PHE A 41 -7.347 -4.315 4.561 1.00 0.00 C ATOM 635 CE2 PHE A 41 -6.558 -5.828 6.233 1.00 0.00 C ATOM 636 CZ PHE A 41 -7.055 -4.591 5.881 1.00 0.00 C ATOM 0 H PHE A 41 -8.133 -8.545 4.451 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.352 -7.560 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.736 -8.322 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.929 -7.119 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.366 -5.056 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.965 -7.753 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.737 -3.346 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.328 -6.045 7.266 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.216 -3.838 6.638 1.00 0.00 H new ATOM 646 N LEU A 42 -6.507 -10.329 1.895 1.00 0.00 N ATOM 647 CA LEU A 42 -6.007 -11.406 1.045 1.00 0.00 C ATOM 648 C LEU A 42 -7.129 -12.069 0.259 1.00 0.00 C ATOM 649 O LEU A 42 -6.996 -12.302 -0.932 1.00 0.00 O ATOM 650 CB LEU A 42 -5.280 -12.457 1.887 1.00 0.00 C ATOM 651 CG LEU A 42 -3.852 -12.097 2.292 1.00 0.00 C ATOM 652 CD1 LEU A 42 -3.279 -13.151 3.227 1.00 0.00 C ATOM 653 CD2 LEU A 42 -2.977 -11.952 1.055 1.00 0.00 C ATOM 0 H LEU A 42 -6.209 -10.392 2.868 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.310 -10.962 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.861 -12.640 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.257 -13.393 1.329 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.871 -11.144 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.261 -12.877 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.895 -13.215 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.270 -14.118 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.961 -11.695 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.966 -12.893 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.377 -11.164 0.417 1.00 0.00 H new ATOM 665 N GLU A 43 -8.234 -12.343 0.931 1.00 0.00 N ATOM 666 CA GLU A 43 -9.356 -13.048 0.327 1.00 0.00 C ATOM 667 C GLU A 43 -10.086 -12.162 -0.681 1.00 0.00 C ATOM 668 O GLU A 43 -10.356 -12.572 -1.815 1.00 0.00 O ATOM 669 CB GLU A 43 -10.326 -13.492 1.419 1.00 0.00 C ATOM 670 CG GLU A 43 -10.997 -14.821 1.124 1.00 0.00 C ATOM 671 CD GLU A 43 -10.002 -15.956 0.978 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.464 -16.421 2.007 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.772 -16.403 -0.168 1.00 0.00 O ATOM 0 H GLU A 43 -8.380 -12.085 1.907 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.970 -13.919 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.788 -13.567 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.092 -12.727 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.697 -15.057 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.580 -14.734 0.207 1.00 0.00 H new ATOM 680 N SER A 44 -10.392 -10.943 -0.263 1.00 0.00 N ATOM 681 CA SER A 44 -11.131 -10.007 -1.093 1.00 0.00 C ATOM 682 C SER A 44 -10.300 -9.586 -2.298 1.00 0.00 C ATOM 683 O SER A 44 -10.788 -9.579 -3.425 1.00 0.00 O ATOM 684 CB SER A 44 -11.528 -8.781 -0.273 1.00 0.00 C ATOM 685 OG SER A 44 -12.157 -9.167 0.939 1.00 0.00 O ATOM 0 H SER A 44 -10.137 -10.578 0.655 1.00 0.00 H new ATOM 0 HA SER A 44 -12.033 -10.501 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.644 -8.182 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.203 -8.152 -0.854 1.00 0.00 H new ATOM 0 HG SER A 44 -11.478 -9.463 1.580 1.00 0.00 H new ATOM 691 N ILE A 45 -9.035 -9.271 -2.053 1.00 0.00 N ATOM 692 CA ILE A 45 -8.137 -8.822 -3.108 1.00 0.00 C ATOM 693 C ILE A 45 -7.787 -9.993 -4.025 1.00 0.00 C ATOM 694 O ILE A 45 -7.491 -9.810 -5.206 1.00 0.00 O ATOM 695 CB ILE A 45 -6.855 -8.190 -2.513 1.00 0.00 C ATOM 696 CG1 ILE A 45 -7.225 -7.030 -1.582 1.00 0.00 C ATOM 697 CG2 ILE A 45 -5.929 -7.699 -3.613 1.00 0.00 C ATOM 698 CD1 ILE A 45 -6.047 -6.441 -0.833 1.00 0.00 C ATOM 0 H ILE A 45 -8.606 -9.319 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.644 -8.055 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.330 -8.956 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.699 -6.243 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.964 -7.378 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.036 -7.260 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.643 -8.537 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.443 -6.948 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.391 -5.626 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.585 -7.213 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.316 -6.060 -1.546 1.00 0.00 H new ATOM 710 N ARG A 46 -7.836 -11.196 -3.461 1.00 0.00 N ATOM 711 CA ARG A 46 -7.711 -12.431 -4.231 1.00 0.00 C ATOM 712 C ARG A 46 -8.768 -12.448 -5.324 1.00 0.00 C ATOM 713 O ARG A 46 -8.469 -12.613 -6.507 1.00 0.00 O ATOM 714 CB ARG A 46 -7.928 -13.619 -3.295 1.00 0.00 C ATOM 715 CG ARG A 46 -7.445 -14.959 -3.808 1.00 0.00 C ATOM 716 CD ARG A 46 -7.845 -16.061 -2.840 1.00 0.00 C ATOM 717 NE ARG A 46 -6.878 -17.154 -2.807 1.00 0.00 N ATOM 718 CZ ARG A 46 -6.706 -17.953 -1.756 1.00 0.00 C ATOM 719 NH1 ARG A 46 -7.488 -17.836 -0.686 1.00 0.00 N ATOM 720 NH2 ARG A 46 -5.762 -18.882 -1.782 1.00 0.00 N ATOM 0 H ARG A 46 -7.963 -11.343 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.721 -12.492 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.425 -13.410 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.993 -13.697 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.871 -15.156 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.362 -14.943 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.948 -15.641 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.822 -16.453 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.303 -17.314 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.225 -17.131 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.351 -18.451 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.169 -18.984 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.628 -19.496 -0.978 1.00 0.00 H new ATOM 734 N ARG A 47 -10.013 -12.278 -4.899 1.00 0.00 N ATOM 735 CA ARG A 47 -11.144 -12.199 -5.808 1.00 0.00 C ATOM 736 C ARG A 47 -11.048 -10.988 -6.725 1.00 0.00 C ATOM 737 O ARG A 47 -11.030 -11.107 -7.951 1.00 0.00 O ATOM 738 CB ARG A 47 -12.442 -12.101 -5.009 1.00 0.00 C ATOM 739 CG ARG A 47 -12.737 -13.325 -4.169 1.00 0.00 C ATOM 740 CD ARG A 47 -12.630 -14.592 -4.994 1.00 0.00 C ATOM 741 NE ARG A 47 -13.523 -14.576 -6.154 1.00 0.00 N ATOM 742 CZ ARG A 47 -13.645 -15.586 -7.010 1.00 0.00 C ATOM 743 NH1 ARG A 47 -12.916 -16.681 -6.853 1.00 0.00 N ATOM 744 NH2 ARG A 47 -14.482 -15.495 -8.033 1.00 0.00 N ATOM 0 H ARG A 47 -10.265 -12.191 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.135 -13.101 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.392 -11.229 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.270 -11.937 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.040 -13.372 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.738 -13.247 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.601 -14.717 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.867 -15.452 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.085 -13.740 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.260 -16.750 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.011 -17.455 -7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.035 -14.648 -8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.573 -16.272 -8.688 1.00 0.00 H new ATOM 758 N GLY A 48 -10.981 -9.826 -6.108 1.00 0.00 N ATOM 759 CA GLY A 48 -11.050 -8.579 -6.835 1.00 0.00 C ATOM 760 C GLY A 48 -11.969 -7.615 -6.128 1.00 0.00 C ATOM 761 O GLY A 48 -12.154 -6.475 -6.553 1.00 0.00 O ATOM 0 H GLY A 48 -10.878 -9.721 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.054 -8.145 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.410 -8.759 -7.848 1.00 0.00 H new ATOM 765 N GLU A 49 -12.555 -8.099 -5.041 1.00 0.00 N ATOM 766 CA GLU A 49 -13.409 -7.290 -4.197 1.00 0.00 C ATOM 767 C GLU A 49 -12.577 -6.292 -3.407 1.00 0.00 C ATOM 768 O GLU A 49 -11.358 -6.437 -3.291 1.00 0.00 O ATOM 769 CB GLU A 49 -14.195 -8.181 -3.249 1.00 0.00 C ATOM 770 CG GLU A 49 -15.036 -9.222 -3.967 1.00 0.00 C ATOM 771 CD GLU A 49 -15.816 -10.101 -3.017 1.00 0.00 C ATOM 772 OE1 GLU A 49 -15.276 -11.136 -2.575 1.00 0.00 O ATOM 773 OE2 GLU A 49 -16.979 -9.762 -2.708 1.00 0.00 O ATOM 0 H GLU A 49 -12.449 -9.063 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.107 -6.740 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.502 -8.685 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.845 -7.560 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.729 -8.720 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.387 -9.846 -4.582 1.00 0.00 H new ATOM 780 N VAL A 50 -13.239 -5.294 -2.850 1.00 0.00 N ATOM 781 CA VAL A 50 -12.544 -4.182 -2.236 1.00 0.00 C ATOM 782 C VAL A 50 -12.586 -4.234 -0.706 1.00 0.00 C ATOM 783 O VAL A 50 -13.653 -4.203 -0.093 1.00 0.00 O ATOM 784 CB VAL A 50 -13.123 -2.843 -2.746 1.00 0.00 C ATOM 785 CG1 VAL A 50 -14.587 -2.672 -2.356 1.00 0.00 C ATOM 786 CG2 VAL A 50 -12.287 -1.669 -2.257 1.00 0.00 C ATOM 0 H VAL A 50 -14.256 -5.233 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.496 -4.259 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.079 -2.864 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.955 -1.718 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.175 -3.483 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.679 -2.692 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.715 -0.738 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.281 -1.656 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.266 -1.772 -2.624 1.00 0.00 H new ATOM 796 N PRO A 51 -11.411 -4.369 -0.072 1.00 0.00 N ATOM 797 CA PRO A 51 -11.276 -4.187 1.373 1.00 0.00 C ATOM 798 C PRO A 51 -11.671 -2.775 1.796 1.00 0.00 C ATOM 799 O PRO A 51 -11.410 -1.795 1.088 1.00 0.00 O ATOM 800 CB PRO A 51 -9.787 -4.416 1.630 1.00 0.00 C ATOM 801 CG PRO A 51 -9.301 -5.188 0.465 1.00 0.00 C ATOM 802 CD PRO A 51 -10.139 -4.759 -0.702 1.00 0.00 C ATOM 0 HA PRO A 51 -11.922 -4.862 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.254 -3.470 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.628 -4.964 2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.245 -4.989 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.398 -6.259 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.684 -3.928 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.276 -5.568 -1.420 1.00 0.00 H new ATOM 810 N ALA A 52 -12.292 -2.691 2.966 1.00 0.00 N ATOM 811 CA ALA A 52 -12.858 -1.450 3.467 1.00 0.00 C ATOM 812 C ALA A 52 -11.815 -0.360 3.618 1.00 0.00 C ATOM 813 O ALA A 52 -12.119 0.804 3.408 1.00 0.00 O ATOM 814 CB ALA A 52 -13.556 -1.685 4.793 1.00 0.00 C ATOM 0 H ALA A 52 -12.416 -3.485 3.594 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.583 -1.109 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.975 -0.746 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.357 -2.412 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.838 -2.066 5.519 1.00 0.00 H new ATOM 820 N GLU A 53 -10.586 -0.738 3.959 1.00 0.00 N ATOM 821 CA GLU A 53 -9.522 0.240 4.183 1.00 0.00 C ATOM 822 C GLU A 53 -9.270 1.088 2.942 1.00 0.00 C ATOM 823 O GLU A 53 -8.827 2.229 3.047 1.00 0.00 O ATOM 824 CB GLU A 53 -8.213 -0.436 4.592 1.00 0.00 C ATOM 825 CG GLU A 53 -8.288 -1.210 5.894 1.00 0.00 C ATOM 826 CD GLU A 53 -6.942 -1.289 6.592 1.00 0.00 C ATOM 827 OE1 GLU A 53 -5.933 -1.597 5.920 1.00 0.00 O ATOM 828 OE2 GLU A 53 -6.884 -1.033 7.815 1.00 0.00 O ATOM 0 H GLU A 53 -10.302 -1.709 4.086 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.863 0.883 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.905 -1.115 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.437 0.325 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.012 -0.735 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.652 -2.218 5.695 1.00 0.00 H new ATOM 835 N LEU A 54 -9.559 0.528 1.773 1.00 0.00 N ATOM 836 CA LEU A 54 -9.313 1.224 0.518 1.00 0.00 C ATOM 837 C LEU A 54 -10.434 2.207 0.241 1.00 0.00 C ATOM 838 O LEU A 54 -10.196 3.337 -0.184 1.00 0.00 O ATOM 839 CB LEU A 54 -9.206 0.231 -0.636 1.00 0.00 C ATOM 840 CG LEU A 54 -8.517 -1.073 -0.302 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.514 -1.969 -1.519 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.102 -0.817 0.170 1.00 0.00 C ATOM 0 H LEU A 54 -9.963 -0.403 1.669 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.370 1.764 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.210 0.010 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.669 0.708 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.060 -1.568 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.017 -2.909 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.541 -2.169 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.982 -1.476 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.620 -1.766 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.542 -0.311 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.124 -0.189 1.061 1.00 0.00 H new ATOM 854 N ARG A 55 -11.662 1.774 0.495 1.00 0.00 N ATOM 855 CA ARG A 55 -12.818 2.649 0.319 1.00 0.00 C ATOM 856 C ARG A 55 -12.874 3.669 1.457 1.00 0.00 C ATOM 857 O ARG A 55 -13.529 4.701 1.350 1.00 0.00 O ATOM 858 CB ARG A 55 -14.120 1.850 0.262 1.00 0.00 C ATOM 859 CG ARG A 55 -14.952 2.096 -0.998 1.00 0.00 C ATOM 860 CD ARG A 55 -14.361 1.401 -2.216 1.00 0.00 C ATOM 861 NE ARG A 55 -15.111 1.711 -3.435 1.00 0.00 N ATOM 862 CZ ARG A 55 -15.088 0.969 -4.547 1.00 0.00 C ATOM 863 NH1 ARG A 55 -14.364 -0.141 -4.602 1.00 0.00 N ATOM 864 NH2 ARG A 55 -15.795 1.343 -5.606 1.00 0.00 N ATOM 0 H ARG A 55 -11.884 0.833 0.820 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.707 3.171 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.884 0.788 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.723 2.096 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.969 1.740 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.015 3.168 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.322 1.706 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.359 0.323 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.691 2.550 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.819 -0.435 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.353 -0.701 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.355 2.195 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.779 0.778 -6.455 1.00 0.00 H new ATOM 878 N ARG A 56 -12.212 3.344 2.566 1.00 0.00 N ATOM 879 CA ARG A 56 -12.014 4.292 3.651 1.00 0.00 C ATOM 880 C ARG A 56 -10.756 5.125 3.422 1.00 0.00 C ATOM 881 O ARG A 56 -10.305 5.829 4.321 1.00 0.00 O ATOM 882 CB ARG A 56 -11.909 3.573 4.997 1.00 0.00 C ATOM 883 CG ARG A 56 -13.151 2.793 5.381 1.00 0.00 C ATOM 884 CD ARG A 56 -14.373 3.689 5.490 1.00 0.00 C ATOM 885 NE ARG A 56 -15.508 2.990 6.087 1.00 0.00 N ATOM 886 CZ ARG A 56 -16.715 3.526 6.244 1.00 0.00 C ATOM 887 NH1 ARG A 56 -16.976 4.736 5.761 1.00 0.00 N ATOM 888 NH2 ARG A 56 -17.666 2.838 6.864 1.00 0.00 N ATOM 0 H ARG A 56 -11.803 2.425 2.733 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.881 4.952 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.059 2.891 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.700 4.308 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.336 2.016 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.984 2.290 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.129 4.565 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.649 4.049 4.499 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.366 2.031 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.250 5.256 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.903 5.145 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.470 1.902 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.593 3.246 6.986 1.00 0.00 H new ATOM 902 N LEU A 57 -10.176 5.014 2.235 1.00 0.00 N ATOM 903 CA LEU A 57 -8.999 5.797 1.878 1.00 0.00 C ATOM 904 C LEU A 57 -9.381 6.774 0.775 1.00 0.00 C ATOM 905 O LEU A 57 -9.257 7.989 0.931 1.00 0.00 O ATOM 906 CB LEU A 57 -7.850 4.873 1.434 1.00 0.00 C ATOM 907 CG LEU A 57 -6.447 5.507 1.375 1.00 0.00 C ATOM 908 CD1 LEU A 57 -6.293 6.414 0.160 1.00 0.00 C ATOM 909 CD2 LEU A 57 -6.157 6.279 2.656 1.00 0.00 C ATOM 0 H LEU A 57 -10.502 4.387 1.500 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.647 6.356 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.813 4.023 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.090 4.480 0.446 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.722 4.699 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.291 6.844 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.447 5.833 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.031 7.215 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.162 6.720 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.898 7.069 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.204 5.601 3.508 1.00 0.00 H new ATOM 921 N ALA A 58 -9.853 6.233 -0.335 1.00 0.00 N ATOM 922 CA ALA A 58 -10.430 7.042 -1.394 1.00 0.00 C ATOM 923 C ALA A 58 -11.912 7.184 -1.151 1.00 0.00 C ATOM 924 O ALA A 58 -12.497 6.408 -0.404 1.00 0.00 O ATOM 925 CB ALA A 58 -10.187 6.407 -2.758 1.00 0.00 C ATOM 0 H ALA A 58 -9.848 5.231 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.955 8.023 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.629 7.032 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.115 6.317 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.644 5.418 -2.785 1.00 0.00 H new ATOM 931 N HIS A 59 -12.512 8.188 -1.755 1.00 0.00 N ATOM 932 CA HIS A 59 -13.962 8.279 -1.772 1.00 0.00 C ATOM 933 C HIS A 59 -14.493 7.027 -2.461 1.00 0.00 C ATOM 934 O HIS A 59 -13.747 6.366 -3.184 1.00 0.00 O ATOM 935 CB HIS A 59 -14.413 9.534 -2.514 1.00 0.00 C ATOM 936 CG HIS A 59 -15.505 10.282 -1.816 1.00 0.00 C ATOM 937 ND1 HIS A 59 -16.746 10.492 -2.368 1.00 0.00 N ATOM 938 CD2 HIS A 59 -15.521 10.899 -0.613 1.00 0.00 C ATOM 939 CE1 HIS A 59 -17.479 11.209 -1.538 1.00 0.00 C ATOM 940 NE2 HIS A 59 -16.759 11.467 -0.462 1.00 0.00 N ATOM 0 H HIS A 59 -12.028 8.946 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.350 8.346 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.557 10.196 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.755 9.254 -3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.708 10.937 0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -18.496 11.530 -1.710 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.073 12.001 0.348 1.00 0.00 H new ATOM 949 N GLY A 60 -15.762 6.700 -2.251 1.00 0.00 N ATOM 950 CA GLY A 60 -16.291 5.418 -2.706 1.00 0.00 C ATOM 951 C GLY A 60 -16.451 5.304 -4.214 1.00 0.00 C ATOM 952 O GLY A 60 -17.358 4.620 -4.693 1.00 0.00 O ATOM 0 H GLY A 60 -16.438 7.296 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.629 4.623 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.260 5.251 -2.236 1.00 0.00 H new ATOM 956 N GLY A 61 -15.564 5.950 -4.955 1.00 0.00 N ATOM 957 CA GLY A 61 -15.579 5.857 -6.394 1.00 0.00 C ATOM 958 C GLY A 61 -14.513 4.918 -6.895 1.00 0.00 C ATOM 959 O GLY A 61 -14.404 3.793 -6.402 1.00 0.00 O ATOM 0 H GLY A 61 -14.826 6.544 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.557 5.511 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.427 6.846 -6.826 1.00 0.00 H new ATOM 963 N GLN A 62 -13.732 5.353 -7.878 1.00 0.00 N ATOM 964 CA GLN A 62 -12.624 4.562 -8.356 1.00 0.00 C ATOM 965 C GLN A 62 -11.546 4.425 -7.295 1.00 0.00 C ATOM 966 O GLN A 62 -10.612 5.236 -7.215 1.00 0.00 O ATOM 967 CB GLN A 62 -12.025 5.172 -9.608 1.00 0.00 C ATOM 968 CG GLN A 62 -10.937 4.310 -10.234 1.00 0.00 C ATOM 969 CD GLN A 62 -10.367 4.903 -11.502 1.00 0.00 C ATOM 970 OE1 GLN A 62 -9.370 5.757 -11.354 1.00 0.00 O flip ATOM 971 NE2 GLN A 62 -10.827 4.607 -12.603 1.00 0.00 N flip ATOM 0 H GLN A 62 -13.852 6.248 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.012 3.571 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.817 5.335 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.610 6.150 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.133 4.170 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.345 3.323 -10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.598 3.942 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.438 5.026 -13.448 1.00 0.00 H new ATOM 980 N VAL A 63 -11.714 3.424 -6.460 1.00 0.00 N ATOM 981 CA VAL A 63 -10.650 2.966 -5.610 1.00 0.00 C ATOM 982 C VAL A 63 -10.007 1.774 -6.299 1.00 0.00 C ATOM 983 O VAL A 63 -10.555 0.671 -6.279 1.00 0.00 O ATOM 984 CB VAL A 63 -11.173 2.537 -4.225 1.00 0.00 C ATOM 985 CG1 VAL A 63 -10.021 2.141 -3.321 1.00 0.00 C ATOM 986 CG2 VAL A 63 -11.997 3.646 -3.596 1.00 0.00 C ATOM 0 H VAL A 63 -12.589 2.910 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.936 3.774 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.819 1.668 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.409 1.841 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.478 1.308 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.347 2.989 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.357 3.323 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.379 4.536 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.847 3.876 -4.238 1.00 0.00 H new ATOM 996 N ASN A 64 -8.869 1.995 -6.930 1.00 0.00 N ATOM 997 CA ASN A 64 -8.217 0.938 -7.689 1.00 0.00 C ATOM 998 C ASN A 64 -6.978 0.480 -6.957 1.00 0.00 C ATOM 999 O ASN A 64 -6.225 1.301 -6.453 1.00 0.00 O ATOM 1000 CB ASN A 64 -7.839 1.434 -9.087 1.00 0.00 C ATOM 1001 CG ASN A 64 -7.385 0.309 -10.003 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -8.200 -0.298 -10.696 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -6.086 0.029 -10.026 1.00 0.00 N ATOM 0 H ASN A 64 -8.378 2.889 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.910 0.103 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.696 1.938 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.042 2.173 -9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.735 -0.711 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.440 0.555 -9.437 1.00 0.00 H new ATOM 1010 N LEU A 65 -6.759 -0.816 -6.905 1.00 0.00 N ATOM 1011 CA LEU A 65 -5.636 -1.352 -6.165 1.00 0.00 C ATOM 1012 C LEU A 65 -4.526 -1.780 -7.118 1.00 0.00 C ATOM 1013 O LEU A 65 -4.701 -2.675 -7.948 1.00 0.00 O ATOM 1014 CB LEU A 65 -6.113 -2.498 -5.261 1.00 0.00 C ATOM 1015 CG LEU A 65 -5.048 -3.211 -4.427 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -5.661 -3.708 -3.127 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -4.451 -4.379 -5.198 1.00 0.00 C ATOM 0 H LEU A 65 -7.341 -1.516 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.215 -0.580 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.867 -2.102 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.607 -3.241 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.250 -2.502 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.899 -4.215 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.054 -2.862 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.470 -4.403 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.696 -4.871 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.238 -5.091 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.991 -4.012 -6.116 1.00 0.00 H new ATOM 1029 N ASP A 66 -3.390 -1.116 -6.985 1.00 0.00 N ATOM 1030 CA ASP A 66 -2.236 -1.351 -7.844 1.00 0.00 C ATOM 1031 C ASP A 66 -1.196 -2.152 -7.080 1.00 0.00 C ATOM 1032 O ASP A 66 -0.819 -1.778 -5.974 1.00 0.00 O ATOM 1033 CB ASP A 66 -1.628 -0.016 -8.297 1.00 0.00 C ATOM 1034 CG ASP A 66 -2.473 0.723 -9.324 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -3.628 1.089 -9.014 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -1.966 0.978 -10.441 1.00 0.00 O ATOM 0 H ASP A 66 -3.239 -0.397 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.556 -1.907 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.489 0.624 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.640 -0.201 -8.718 1.00 0.00 H new ATOM 1041 N MET A 67 -0.734 -3.248 -7.658 1.00 0.00 N ATOM 1042 CA MET A 67 0.183 -4.140 -6.959 1.00 0.00 C ATOM 1043 C MET A 67 1.637 -3.879 -7.325 1.00 0.00 C ATOM 1044 O MET A 67 1.975 -3.671 -8.491 1.00 0.00 O ATOM 1045 CB MET A 67 -0.162 -5.602 -7.246 1.00 0.00 C ATOM 1046 CG MET A 67 -1.293 -6.149 -6.391 1.00 0.00 C ATOM 1047 SD MET A 67 -1.717 -7.848 -6.824 1.00 0.00 S ATOM 1048 CE MET A 67 -2.907 -8.237 -5.546 1.00 0.00 C ATOM 0 H MET A 67 -0.976 -3.543 -8.604 1.00 0.00 H new ATOM 0 HA MET A 67 0.065 -3.938 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.434 -5.701 -8.297 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.727 -6.212 -7.088 1.00 0.00 H new ATOM 0 HG2 MET A 67 -1.006 -6.105 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.173 -5.516 -6.508 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.516 -9.085 -5.861 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.382 -8.490 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.549 -7.374 -5.372 1.00 0.00 H new ATOM 1058 N GLU A 68 2.487 -3.897 -6.309 1.00 0.00 N ATOM 1059 CA GLU A 68 3.930 -3.818 -6.484 1.00 0.00 C ATOM 1060 C GLU A 68 4.594 -5.009 -5.819 1.00 0.00 C ATOM 1061 O GLU A 68 4.051 -5.578 -4.873 1.00 0.00 O ATOM 1062 CB GLU A 68 4.496 -2.556 -5.846 1.00 0.00 C ATOM 1063 CG GLU A 68 4.315 -1.289 -6.651 1.00 0.00 C ATOM 1064 CD GLU A 68 4.969 -0.117 -5.961 1.00 0.00 C ATOM 1065 OE1 GLU A 68 6.171 -0.216 -5.624 1.00 0.00 O ATOM 1066 OE2 GLU A 68 4.277 0.879 -5.684 1.00 0.00 O ATOM 0 H GLU A 68 2.194 -3.967 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 68 4.130 -3.806 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.026 -2.419 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.561 -2.705 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.746 -1.419 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.252 -1.089 -6.789 1.00 0.00 H new ATOM 1073 N ASP A 69 5.773 -5.362 -6.286 1.00 0.00 N ATOM 1074 CA ASP A 69 6.552 -6.409 -5.650 1.00 0.00 C ATOM 1075 C ASP A 69 7.818 -5.803 -5.064 1.00 0.00 C ATOM 1076 O ASP A 69 8.471 -4.978 -5.696 1.00 0.00 O ATOM 1077 CB ASP A 69 6.903 -7.530 -6.638 1.00 0.00 C ATOM 1078 CG ASP A 69 7.945 -7.128 -7.665 1.00 0.00 C ATOM 1079 OD1 ASP A 69 7.587 -6.437 -8.644 1.00 0.00 O ATOM 1080 OD2 ASP A 69 9.120 -7.525 -7.513 1.00 0.00 O ATOM 0 H ASP A 69 6.215 -4.941 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 69 5.953 -6.853 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.268 -8.393 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.997 -7.844 -7.156 1.00 0.00 H new ATOM 1085 N HIS A 70 8.121 -6.162 -3.830 1.00 0.00 N ATOM 1086 CA HIS A 70 9.341 -5.706 -3.171 1.00 0.00 C ATOM 1087 C HIS A 70 9.958 -6.866 -2.400 1.00 0.00 C ATOM 1088 O HIS A 70 11.163 -7.091 -2.443 1.00 0.00 O ATOM 1089 CB HIS A 70 9.062 -4.528 -2.221 1.00 0.00 C ATOM 1090 CG HIS A 70 8.734 -3.228 -2.903 1.00 0.00 C ATOM 1091 ND1 HIS A 70 9.617 -2.172 -2.980 1.00 0.00 N ATOM 1092 CD2 HIS A 70 7.604 -2.811 -3.523 1.00 0.00 C ATOM 1093 CE1 HIS A 70 9.043 -1.166 -3.619 1.00 0.00 C ATOM 1094 NE2 HIS A 70 7.819 -1.528 -3.962 1.00 0.00 N ATOM 0 H HIS A 70 7.538 -6.772 -3.257 1.00 0.00 H new ATOM 0 HA HIS A 70 10.036 -5.356 -3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.233 -4.797 -1.566 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.935 -4.378 -1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.698 -3.384 -3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.498 -0.209 -3.826 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.147 -0.951 -4.468 1.00 0.00 H new ATOM 1103 N ARG A 71 9.090 -7.591 -1.699 1.00 0.00 N ATOM 1104 CA ARG A 71 9.425 -8.841 -1.026 1.00 0.00 C ATOM 1105 C ARG A 71 10.559 -8.702 -0.016 1.00 0.00 C ATOM 1106 O ARG A 71 10.315 -8.319 1.129 1.00 0.00 O ATOM 1107 CB ARG A 71 9.710 -9.926 -2.054 1.00 0.00 C ATOM 1108 CG ARG A 71 8.489 -10.233 -2.905 1.00 0.00 C ATOM 1109 CD ARG A 71 8.768 -11.294 -3.951 1.00 0.00 C ATOM 1110 NE ARG A 71 9.768 -10.855 -4.925 1.00 0.00 N ATOM 1111 CZ ARG A 71 10.812 -11.594 -5.296 1.00 0.00 C ATOM 1112 NH1 ARG A 71 10.960 -12.816 -4.806 1.00 0.00 N ATOM 1113 NH2 ARG A 71 11.696 -11.117 -6.163 1.00 0.00 N ATOM 0 H ARG A 71 8.114 -7.319 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 71 8.555 -9.133 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.531 -9.610 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.035 -10.833 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.675 -10.566 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.153 -9.320 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.115 -12.204 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.842 -11.544 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 71 9.659 -9.931 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.276 -13.188 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.758 -13.385 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.578 -10.180 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.494 -11.687 -6.444 1.00 0.00 H new ATOM 1127 N ASP A 72 11.791 -8.977 -0.431 1.00 0.00 N ATOM 1128 CA ASP A 72 12.928 -8.974 0.494 1.00 0.00 C ATOM 1129 C ASP A 72 13.326 -7.555 0.896 1.00 0.00 C ATOM 1130 O ASP A 72 14.354 -7.340 1.541 1.00 0.00 O ATOM 1131 CB ASP A 72 14.128 -9.732 -0.091 1.00 0.00 C ATOM 1132 CG ASP A 72 14.463 -9.331 -1.511 1.00 0.00 C ATOM 1133 OD1 ASP A 72 15.025 -8.240 -1.713 1.00 0.00 O ATOM 1134 OD2 ASP A 72 14.173 -10.122 -2.434 1.00 0.00 O ATOM 0 H ASP A 72 12.031 -9.204 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 72 12.607 -9.495 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.999 -9.560 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.920 -10.802 -0.064 1.00 0.00 H new ATOM 1139 N GLU A 73 12.487 -6.599 0.534 1.00 0.00 N ATOM 1140 CA GLU A 73 12.639 -5.219 0.951 1.00 0.00 C ATOM 1141 C GLU A 73 12.031 -4.996 2.332 1.00 0.00 C ATOM 1142 O GLU A 73 11.981 -3.867 2.822 1.00 0.00 O ATOM 1143 CB GLU A 73 11.949 -4.320 -0.064 1.00 0.00 C ATOM 1144 CG GLU A 73 12.626 -4.319 -1.418 1.00 0.00 C ATOM 1145 CD GLU A 73 14.096 -3.993 -1.314 1.00 0.00 C ATOM 1146 OE1 GLU A 73 14.421 -2.865 -0.923 1.00 0.00 O ATOM 1147 OE2 GLU A 73 14.931 -4.869 -1.606 1.00 0.00 O ATOM 0 H GLU A 73 11.676 -6.762 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 73 13.701 -4.981 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.915 -4.644 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.922 -3.301 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.503 -5.296 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.138 -3.592 -2.067 1.00 0.00 H new ATOM 1154 N ASP A 74 11.567 -6.086 2.939 1.00 0.00 N ATOM 1155 CA ASP A 74 10.868 -6.044 4.221 1.00 0.00 C ATOM 1156 C ASP A 74 9.600 -5.230 4.124 1.00 0.00 C ATOM 1157 O ASP A 74 8.594 -5.720 3.642 1.00 0.00 O ATOM 1158 CB ASP A 74 11.753 -5.525 5.360 1.00 0.00 C ATOM 1159 CG ASP A 74 12.605 -6.613 5.974 1.00 0.00 C ATOM 1160 OD1 ASP A 74 12.033 -7.537 6.595 1.00 0.00 O ATOM 1161 OD2 ASP A 74 13.849 -6.537 5.863 1.00 0.00 O ATOM 0 H ASP A 74 11.666 -7.026 2.555 1.00 0.00 H new ATOM 0 HA ASP A 74 10.606 -7.074 4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.399 -4.733 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.124 -5.082 6.132 1.00 0.00 H new ATOM 1166 N PHE A 75 9.659 -4.001 4.586 1.00 0.00 N ATOM 1167 CA PHE A 75 8.522 -3.089 4.510 1.00 0.00 C ATOM 1168 C PHE A 75 8.942 -1.632 4.316 1.00 0.00 C ATOM 1169 O PHE A 75 9.634 -1.057 5.153 1.00 0.00 O ATOM 1170 CB PHE A 75 7.680 -3.202 5.771 1.00 0.00 C ATOM 1171 CG PHE A 75 6.516 -2.259 5.803 1.00 0.00 C ATOM 1172 CD1 PHE A 75 5.621 -2.212 4.748 1.00 0.00 C ATOM 1173 CD2 PHE A 75 6.313 -1.426 6.888 1.00 0.00 C ATOM 1174 CE1 PHE A 75 4.541 -1.358 4.777 1.00 0.00 C ATOM 1175 CE2 PHE A 75 5.236 -0.570 6.923 1.00 0.00 C ATOM 1176 CZ PHE A 75 4.350 -0.537 5.866 1.00 0.00 C ATOM 0 H PHE A 75 10.488 -3.600 5.024 1.00 0.00 H new ATOM 0 HA PHE A 75 7.942 -3.383 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.311 -4.224 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.313 -3.014 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.772 -2.853 3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.006 -1.447 7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.847 -1.332 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.085 0.075 7.776 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.504 0.134 5.893 1.00 0.00 H new ATOM 1186 N VAL A 76 8.478 -1.048 3.216 1.00 0.00 N ATOM 1187 CA VAL A 76 8.656 0.374 2.925 1.00 0.00 C ATOM 1188 C VAL A 76 7.462 0.908 2.121 1.00 0.00 C ATOM 1189 O VAL A 76 7.381 0.728 0.906 1.00 0.00 O ATOM 1190 CB VAL A 76 9.968 0.662 2.149 1.00 0.00 C ATOM 1191 CG1 VAL A 76 11.148 0.774 3.100 1.00 0.00 C ATOM 1192 CG2 VAL A 76 10.238 -0.417 1.108 1.00 0.00 C ATOM 0 H VAL A 76 7.963 -1.551 2.494 1.00 0.00 H new ATOM 0 HA VAL A 76 8.718 0.885 3.886 1.00 0.00 H new ATOM 0 HB VAL A 76 9.843 1.615 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.056 0.976 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.972 1.587 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.264 -0.161 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.164 -0.189 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.331 -1.384 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.413 -0.451 0.397 1.00 0.00 H new ATOM 1202 N LYS A 77 6.516 1.538 2.808 1.00 0.00 N ATOM 1203 CA LYS A 77 5.330 2.091 2.151 1.00 0.00 C ATOM 1204 C LYS A 77 4.962 3.478 2.726 1.00 0.00 C ATOM 1205 O LYS A 77 5.034 4.477 2.011 1.00 0.00 O ATOM 1206 CB LYS A 77 4.170 1.058 2.196 1.00 0.00 C ATOM 1207 CG LYS A 77 2.745 1.620 2.098 1.00 0.00 C ATOM 1208 CD LYS A 77 2.318 1.914 0.666 1.00 0.00 C ATOM 1209 CE LYS A 77 2.942 3.190 0.145 1.00 0.00 C ATOM 1210 NZ LYS A 77 2.392 4.398 0.824 1.00 0.00 N ATOM 0 H LYS A 77 6.544 1.680 3.818 1.00 0.00 H new ATOM 0 HA LYS A 77 5.546 2.271 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.313 0.349 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.251 0.495 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.048 0.908 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.680 2.536 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.603 1.081 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.232 1.995 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.021 3.152 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.768 3.267 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.818 4.944 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.799 4.105 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.175 4.989 1.170 1.00 0.00 H new ATOM 1224 N PRO A 78 4.573 3.560 4.003 1.00 0.00 N ATOM 1225 CA PRO A 78 4.310 4.832 4.702 1.00 0.00 C ATOM 1226 C PRO A 78 5.593 5.597 4.987 1.00 0.00 C ATOM 1227 O PRO A 78 5.609 6.826 5.038 1.00 0.00 O ATOM 1228 CB PRO A 78 3.707 4.379 6.037 1.00 0.00 C ATOM 1229 CG PRO A 78 3.304 2.967 5.820 1.00 0.00 C ATOM 1230 CD PRO A 78 4.319 2.426 4.868 1.00 0.00 C ATOM 0 HA PRO A 78 3.675 5.493 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.433 4.462 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.851 4.995 6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.301 2.408 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.298 2.901 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.222 2.097 5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.938 1.569 4.312 1.00 0.00 H new ATOM 1238 N LYS A 79 6.643 4.814 5.210 1.00 0.00 N ATOM 1239 CA LYS A 79 7.983 5.297 5.568 1.00 0.00 C ATOM 1240 C LYS A 79 8.370 6.602 4.871 1.00 0.00 C ATOM 1241 O LYS A 79 8.867 7.525 5.517 1.00 0.00 O ATOM 1242 CB LYS A 79 9.029 4.229 5.230 1.00 0.00 C ATOM 1243 CG LYS A 79 8.693 2.837 5.751 1.00 0.00 C ATOM 1244 CD LYS A 79 8.386 2.836 7.241 1.00 0.00 C ATOM 1245 CE LYS A 79 9.580 3.269 8.079 1.00 0.00 C ATOM 1246 NZ LYS A 79 9.255 3.266 9.529 1.00 0.00 N ATOM 0 H LYS A 79 6.590 3.797 5.146 1.00 0.00 H new ATOM 0 HA LYS A 79 7.956 5.498 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.146 4.181 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.991 4.536 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.835 2.445 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.529 2.166 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.547 3.503 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.076 1.836 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.420 2.600 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.895 4.268 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.090 3.566 10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.470 3.923 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.978 2.307 9.821 1.00 0.00 H new ATOM 1260 N GLY A 80 8.183 6.667 3.560 1.00 0.00 N ATOM 1261 CA GLY A 80 8.527 7.868 2.832 1.00 0.00 C ATOM 1262 C GLY A 80 8.633 7.613 1.348 1.00 0.00 C ATOM 1263 O GLY A 80 8.557 6.460 0.914 1.00 0.00 O ATOM 0 H GLY A 80 7.801 5.912 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.773 8.633 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.475 8.259 3.202 1.00 0.00 H new ATOM 1267 N ALA A 81 8.802 8.691 0.580 1.00 0.00 N ATOM 1268 CA ALA A 81 8.902 8.616 -0.873 1.00 0.00 C ATOM 1269 C ALA A 81 7.618 8.054 -1.471 1.00 0.00 C ATOM 1270 O ALA A 81 6.599 7.937 -0.789 1.00 0.00 O ATOM 1271 CB ALA A 81 10.110 7.779 -1.291 1.00 0.00 C ATOM 0 H ALA A 81 8.873 9.639 0.951 1.00 0.00 H new ATOM 0 HA ALA A 81 9.043 9.626 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.165 7.737 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.020 8.233 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.008 6.769 -0.893 1.00 0.00 H new ATOM 1277 N PHE A 82 7.654 7.738 -2.750 1.00 0.00 N ATOM 1278 CA PHE A 82 6.503 7.158 -3.408 1.00 0.00 C ATOM 1279 C PHE A 82 6.905 5.888 -4.138 1.00 0.00 C ATOM 1280 O PHE A 82 7.953 5.842 -4.787 1.00 0.00 O ATOM 1281 CB PHE A 82 5.866 8.154 -4.379 1.00 0.00 C ATOM 1282 CG PHE A 82 5.197 9.317 -3.699 1.00 0.00 C ATOM 1283 CD1 PHE A 82 3.929 9.181 -3.154 1.00 0.00 C ATOM 1284 CD2 PHE A 82 5.834 10.544 -3.606 1.00 0.00 C ATOM 1285 CE1 PHE A 82 3.310 10.247 -2.528 1.00 0.00 C ATOM 1286 CE2 PHE A 82 5.219 11.614 -2.981 1.00 0.00 C ATOM 1287 CZ PHE A 82 3.956 11.465 -2.443 1.00 0.00 C ATOM 0 H PHE A 82 8.466 7.873 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 82 5.762 6.910 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.634 8.532 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.132 7.631 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.419 8.231 -3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.821 10.666 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.323 10.128 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.726 12.565 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.474 12.300 -1.956 1.00 0.00 H new ATOM 1297 N LYS A 83 6.066 4.858 -4.007 1.00 0.00 N ATOM 1298 CA LYS A 83 6.328 3.522 -4.546 1.00 0.00 C ATOM 1299 C LYS A 83 7.534 2.843 -3.887 1.00 0.00 C ATOM 1300 O LYS A 83 7.774 1.655 -4.100 1.00 0.00 O ATOM 1301 CB LYS A 83 6.505 3.561 -6.063 1.00 0.00 C ATOM 1302 CG LYS A 83 5.300 4.129 -6.783 1.00 0.00 C ATOM 1303 CD LYS A 83 4.933 3.286 -7.997 1.00 0.00 C ATOM 1304 CE LYS A 83 6.065 3.236 -9.014 1.00 0.00 C ATOM 1305 NZ LYS A 83 5.773 2.292 -10.128 1.00 0.00 N ATOM 0 H LYS A 83 5.174 4.930 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 83 5.450 2.921 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.383 4.160 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.697 2.552 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.453 4.174 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.510 5.151 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.688 2.274 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.039 3.696 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.233 4.234 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.987 2.935 -8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.569 2.288 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.638 1.334 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.908 2.593 -10.620 1.00 0.00 H new ATOM 1319 N ALA A 84 8.255 3.598 -3.055 1.00 0.00 N ATOM 1320 CA ALA A 84 9.440 3.106 -2.356 1.00 0.00 C ATOM 1321 C ALA A 84 10.525 2.680 -3.349 1.00 0.00 C ATOM 1322 O ALA A 84 11.253 1.714 -3.117 1.00 0.00 O ATOM 1323 CB ALA A 84 9.078 1.971 -1.402 1.00 0.00 C ATOM 0 H ALA A 84 8.031 4.571 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 84 9.845 3.922 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.977 1.622 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.361 2.331 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.637 1.149 -1.966 1.00 0.00 H new ATOM 1329 N PHE A 85 10.603 3.416 -4.462 1.00 0.00 N ATOM 1330 CA PHE A 85 11.639 3.222 -5.482 1.00 0.00 C ATOM 1331 C PHE A 85 11.516 1.873 -6.190 1.00 0.00 C ATOM 1332 O PHE A 85 12.326 0.969 -5.982 1.00 0.00 O ATOM 1333 CB PHE A 85 13.044 3.377 -4.883 1.00 0.00 C ATOM 1334 CG PHE A 85 13.341 4.763 -4.386 1.00 0.00 C ATOM 1335 CD1 PHE A 85 13.731 5.758 -5.267 1.00 0.00 C ATOM 1336 CD2 PHE A 85 13.231 5.071 -3.040 1.00 0.00 C ATOM 1337 CE1 PHE A 85 14.005 7.035 -4.816 1.00 0.00 C ATOM 1338 CE2 PHE A 85 13.505 6.346 -2.582 1.00 0.00 C ATOM 1339 CZ PHE A 85 13.893 7.329 -3.471 1.00 0.00 C ATOM 0 H PHE A 85 9.947 4.166 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 85 11.485 4.001 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 85 13.157 2.673 -4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 85 13.783 3.105 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.822 5.533 -6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.928 4.306 -2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.306 7.802 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.416 6.573 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 85 14.108 8.326 -3.115 1.00 0.00 H new ATOM 1349 N THR A 86 10.502 1.754 -7.036 1.00 0.00 N ATOM 1350 CA THR A 86 10.341 0.584 -7.888 1.00 0.00 C ATOM 1351 C THR A 86 10.888 0.863 -9.291 1.00 0.00 C ATOM 1352 O THR A 86 10.649 0.103 -10.231 1.00 0.00 O ATOM 1353 CB THR A 86 8.856 0.191 -7.997 1.00 0.00 C ATOM 1354 OG1 THR A 86 8.059 1.069 -7.188 1.00 0.00 O ATOM 1355 CG2 THR A 86 8.637 -1.246 -7.555 1.00 0.00 C ATOM 0 H THR A 86 9.774 2.459 -7.151 1.00 0.00 H new ATOM 0 HA THR A 86 10.899 -0.236 -7.437 1.00 0.00 H new ATOM 0 HB THR A 86 8.557 0.280 -9.041 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.417 0.542 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.580 -1.496 -7.642 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.222 -1.914 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.952 -1.360 -6.518 1.00 0.00 H new ATOM 1363 N GLY A 87 11.627 1.960 -9.421 1.00 0.00 N ATOM 1364 CA GLY A 87 12.122 2.379 -10.719 1.00 0.00 C ATOM 1365 C GLY A 87 13.481 1.796 -11.045 1.00 0.00 C ATOM 1366 O GLY A 87 14.500 2.274 -10.543 1.00 0.00 O ATOM 0 H GLY A 87 11.893 2.569 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.410 2.080 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.183 3.467 -10.746 1.00 0.00 H new ATOM 1370 N GLU A 88 13.483 0.780 -11.908 1.00 0.00 N ATOM 1371 CA GLU A 88 14.701 0.076 -12.312 1.00 0.00 C ATOM 1372 C GLU A 88 15.489 -0.392 -11.090 1.00 0.00 C ATOM 1373 O GLU A 88 16.479 0.222 -10.688 1.00 0.00 O ATOM 1374 CB GLU A 88 15.568 0.958 -13.216 1.00 0.00 C ATOM 1375 CG GLU A 88 16.727 0.215 -13.862 1.00 0.00 C ATOM 1376 CD GLU A 88 16.270 -0.995 -14.649 1.00 0.00 C ATOM 1377 OE1 GLU A 88 15.719 -0.817 -15.753 1.00 0.00 O ATOM 1378 OE2 GLU A 88 16.463 -2.133 -14.168 1.00 0.00 O ATOM 0 H GLU A 88 12.636 0.420 -12.349 1.00 0.00 H new ATOM 0 HA GLU A 88 14.408 -0.805 -12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.942 1.388 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.961 1.788 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.266 0.893 -14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.428 -0.101 -13.090 1.00 0.00 H new ATOM 1385 N GLY A 89 15.041 -1.488 -10.508 1.00 0.00 N ATOM 1386 CA GLY A 89 15.641 -1.981 -9.291 1.00 0.00 C ATOM 1387 C GLY A 89 14.636 -2.006 -8.165 1.00 0.00 C ATOM 1388 O GLY A 89 13.431 -2.043 -8.418 1.00 0.00 O ATOM 0 H GLY A 89 14.266 -2.050 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.034 -2.984 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.486 -1.349 -9.016 1.00 0.00 H new ATOM 1392 N GLN A 90 15.111 -1.981 -6.932 1.00 0.00 N ATOM 1393 CA GLN A 90 14.217 -2.019 -5.790 1.00 0.00 C ATOM 1394 C GLN A 90 14.824 -1.276 -4.605 1.00 0.00 C ATOM 1395 O GLN A 90 15.817 -1.727 -4.030 1.00 0.00 O ATOM 1396 CB GLN A 90 13.925 -3.473 -5.416 1.00 0.00 C ATOM 1397 CG GLN A 90 12.548 -3.672 -4.818 1.00 0.00 C ATOM 1398 CD GLN A 90 11.463 -3.116 -5.712 1.00 0.00 C ATOM 1399 OE1 GLN A 90 11.075 -1.960 -5.582 1.00 0.00 O ATOM 1400 NE2 GLN A 90 10.971 -3.929 -6.627 1.00 0.00 N ATOM 0 H GLN A 90 16.103 -1.935 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 90 13.283 -1.523 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 90 14.021 -4.096 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.676 -3.816 -4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.374 -4.735 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.501 -3.186 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.321 -4.884 -6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.240 -3.603 -7.259 1.00 0.00 H new ATOM 1409 N LYS A 91 14.236 -0.120 -4.279 1.00 0.00 N ATOM 1410 CA LYS A 91 14.654 0.722 -3.142 1.00 0.00 C ATOM 1411 C LYS A 91 15.979 1.439 -3.426 1.00 0.00 C ATOM 1412 O LYS A 91 16.144 2.609 -3.067 1.00 0.00 O ATOM 1413 CB LYS A 91 14.753 -0.100 -1.851 1.00 0.00 C ATOM 1414 CG LYS A 91 14.913 0.744 -0.596 1.00 0.00 C ATOM 1415 CD LYS A 91 14.860 -0.091 0.681 1.00 0.00 C ATOM 1416 CE LYS A 91 16.191 -0.770 1.001 1.00 0.00 C ATOM 1417 NZ LYS A 91 16.561 -1.813 0.012 1.00 0.00 N ATOM 0 H LYS A 91 13.448 0.265 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 91 13.885 1.483 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.858 -0.714 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.600 -0.782 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.863 1.276 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.126 1.498 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.574 0.548 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.085 -0.851 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.978 -0.016 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.134 -1.220 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.037 -2.600 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.703 -2.165 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.203 -1.406 -0.698 1.00 0.00 H new ATOM 1431 N LEU A 92 16.911 0.736 -4.060 1.00 0.00 N ATOM 1432 CA LEU A 92 18.166 1.324 -4.526 1.00 0.00 C ATOM 1433 C LEU A 92 18.913 2.035 -3.399 1.00 0.00 C ATOM 1434 O LEU A 92 19.141 3.247 -3.454 1.00 0.00 O ATOM 1435 CB LEU A 92 17.897 2.300 -5.679 1.00 0.00 C ATOM 1436 CG LEU A 92 17.208 1.687 -6.900 1.00 0.00 C ATOM 1437 CD1 LEU A 92 16.931 2.754 -7.949 1.00 0.00 C ATOM 1438 CD2 LEU A 92 18.055 0.566 -7.489 1.00 0.00 C ATOM 0 H LEU A 92 16.820 -0.259 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 92 18.799 0.511 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.281 3.118 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.845 2.734 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 92 16.256 1.264 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.441 2.299 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.283 3.521 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.871 3.207 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.547 0.144 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 92 19.023 0.963 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.201 -0.212 -6.740 1.00 0.00 H new ATOM 1450 N GLY A 93 19.251 1.282 -2.361 1.00 0.00 N ATOM 1451 CA GLY A 93 20.081 1.808 -1.294 1.00 0.00 C ATOM 1452 C GLY A 93 19.298 2.522 -0.210 1.00 0.00 C ATOM 1453 O GLY A 93 19.702 2.505 0.955 1.00 0.00 O ATOM 0 H GLY A 93 18.964 0.311 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 93 20.643 0.989 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 93 20.809 2.499 -1.719 1.00 0.00 H new ATOM 1457 N SER A 94 18.174 3.136 -0.592 1.00 0.00 N ATOM 1458 CA SER A 94 17.351 3.937 0.322 1.00 0.00 C ATOM 1459 C SER A 94 18.207 4.894 1.148 1.00 0.00 C ATOM 1460 O SER A 94 18.110 4.940 2.376 1.00 0.00 O ATOM 1461 CB SER A 94 16.503 3.043 1.240 1.00 0.00 C ATOM 1462 OG SER A 94 17.293 2.087 1.931 1.00 0.00 O ATOM 0 H SER A 94 17.808 3.092 -1.543 1.00 0.00 H new ATOM 0 HA SER A 94 16.674 4.532 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.973 3.664 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.747 2.528 0.647 1.00 0.00 H new ATOM 0 HG SER A 94 18.234 2.360 1.905 1.00 0.00 H new ATOM 1468 N THR A 95 19.053 5.653 0.470 1.00 0.00 N ATOM 1469 CA THR A 95 19.952 6.578 1.136 1.00 0.00 C ATOM 1470 C THR A 95 19.240 7.877 1.506 1.00 0.00 C ATOM 1471 O THR A 95 19.640 8.963 1.092 1.00 0.00 O ATOM 1472 CB THR A 95 21.175 6.872 0.253 1.00 0.00 C ATOM 1473 OG1 THR A 95 20.770 6.965 -1.120 1.00 0.00 O ATOM 1474 CG2 THR A 95 22.227 5.785 0.404 1.00 0.00 C ATOM 0 H THR A 95 19.135 5.645 -0.547 1.00 0.00 H new ATOM 0 HA THR A 95 20.290 6.106 2.058 1.00 0.00 H new ATOM 0 HB THR A 95 21.610 7.819 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.552 7.154 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 95 23.082 6.016 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 95 22.550 5.733 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 95 21.804 4.825 0.107 1.00 0.00 H new ATOM 1482 N ALA A 96 18.179 7.744 2.286 1.00 0.00 N ATOM 1483 CA ALA A 96 17.417 8.883 2.768 1.00 0.00 C ATOM 1484 C ALA A 96 17.498 8.958 4.292 1.00 0.00 C ATOM 1485 O ALA A 96 16.695 8.341 4.992 1.00 0.00 O ATOM 1486 CB ALA A 96 15.968 8.764 2.320 1.00 0.00 C ATOM 0 H ALA A 96 17.822 6.842 2.602 1.00 0.00 H new ATOM 0 HA ALA A 96 17.839 9.797 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.403 9.621 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.925 8.738 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.537 7.847 2.722 1.00 0.00 H new ATOM 1492 N PRO A 97 18.490 9.686 4.830 1.00 0.00 N ATOM 1493 CA PRO A 97 18.643 9.865 6.281 1.00 0.00 C ATOM 1494 C PRO A 97 17.524 10.715 6.884 1.00 0.00 C ATOM 1495 O PRO A 97 17.401 10.830 8.105 1.00 0.00 O ATOM 1496 CB PRO A 97 19.991 10.578 6.414 1.00 0.00 C ATOM 1497 CG PRO A 97 20.194 11.259 5.107 1.00 0.00 C ATOM 1498 CD PRO A 97 19.549 10.378 4.076 1.00 0.00 C ATOM 0 HA PRO A 97 18.596 8.916 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 97 19.980 11.295 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 97 20.794 9.870 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.743 12.251 5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 97 21.255 11.392 4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 97 19.139 10.960 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 97 20.262 9.674 3.647 1.00 0.00 H new ATOM 1506 N GLN A 98 16.715 11.310 6.020 1.00 0.00 N ATOM 1507 CA GLN A 98 15.591 12.125 6.446 1.00 0.00 C ATOM 1508 C GLN A 98 14.314 11.639 5.766 1.00 0.00 C ATOM 1509 O GLN A 98 14.367 10.858 4.815 1.00 0.00 O ATOM 1510 CB GLN A 98 15.839 13.610 6.138 1.00 0.00 C ATOM 1511 CG GLN A 98 15.977 13.951 4.657 1.00 0.00 C ATOM 1512 CD GLN A 98 17.231 13.388 4.017 1.00 0.00 C ATOM 1513 OE1 GLN A 98 17.221 12.290 3.464 1.00 0.00 O ATOM 1514 NE2 GLN A 98 18.326 14.125 4.105 1.00 0.00 N ATOM 0 H GLN A 98 16.820 11.241 5.008 1.00 0.00 H new ATOM 0 HA GLN A 98 15.478 12.025 7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.017 14.193 6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.746 13.925 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.106 13.572 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.975 15.035 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.295 15.031 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.202 13.787 3.706 1.00 0.00 H new ATOM 1523 N VAL A 99 13.171 12.098 6.259 1.00 0.00 N ATOM 1524 CA VAL A 99 11.882 11.626 5.766 1.00 0.00 C ATOM 1525 C VAL A 99 11.334 12.565 4.699 1.00 0.00 C ATOM 1526 O VAL A 99 10.712 12.131 3.729 1.00 0.00 O ATOM 1527 CB VAL A 99 10.852 11.506 6.911 1.00 0.00 C ATOM 1528 CG1 VAL A 99 9.540 10.920 6.406 1.00 0.00 C ATOM 1529 CG2 VAL A 99 11.412 10.668 8.050 1.00 0.00 C ATOM 0 H VAL A 99 13.109 12.797 7.000 1.00 0.00 H new ATOM 0 HA VAL A 99 12.045 10.639 5.333 1.00 0.00 H new ATOM 0 HB VAL A 99 10.649 12.508 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.833 10.846 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.127 11.566 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.720 9.928 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.671 10.595 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.650 9.669 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.316 11.138 8.437 1.00 0.00 H new ATOM 1539 N LEU A 100 11.568 13.854 4.884 1.00 0.00 N ATOM 1540 CA LEU A 100 11.096 14.858 3.944 1.00 0.00 C ATOM 1541 C LEU A 100 12.247 15.390 3.100 1.00 0.00 C ATOM 1542 O LEU A 100 13.410 15.232 3.467 1.00 0.00 O ATOM 1543 CB LEU A 100 10.418 15.997 4.696 1.00 0.00 C ATOM 1544 CG LEU A 100 9.072 15.625 5.306 1.00 0.00 C ATOM 1545 CD1 LEU A 100 8.660 16.641 6.359 1.00 0.00 C ATOM 1546 CD2 LEU A 100 8.009 15.524 4.224 1.00 0.00 C ATOM 0 H LEU A 100 12.084 14.231 5.679 1.00 0.00 H new ATOM 0 HA LEU A 100 10.371 14.394 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 100 11.082 16.340 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 100 10.276 16.835 4.014 1.00 0.00 H new ATOM 0 HG LEU A 100 9.172 14.653 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.696 16.357 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.409 16.669 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.579 17.627 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.054 15.258 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.915 16.484 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.295 14.758 3.503 1.00 0.00 H new ATOM 1558 N SER A 101 11.911 15.999 1.965 1.00 0.00 N ATOM 1559 CA SER A 101 12.896 16.620 1.073 1.00 0.00 C ATOM 1560 C SER A 101 13.779 15.574 0.383 1.00 0.00 C ATOM 1561 O SER A 101 14.825 15.903 -0.177 1.00 0.00 O ATOM 1562 CB SER A 101 13.764 17.629 1.838 1.00 0.00 C ATOM 1563 OG SER A 101 12.958 18.576 2.527 1.00 0.00 O ATOM 0 H SER A 101 10.949 16.078 1.635 1.00 0.00 H new ATOM 0 HA SER A 101 12.341 17.149 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.400 17.101 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.425 18.146 1.143 1.00 0.00 H new ATOM 0 HG SER A 101 13.533 19.207 3.008 1.00 0.00 H new ATOM 1569 N THR A 102 13.358 14.318 0.429 1.00 0.00 N ATOM 1570 CA THR A 102 14.061 13.240 -0.248 1.00 0.00 C ATOM 1571 C THR A 102 13.061 12.196 -0.735 1.00 0.00 C ATOM 1572 O THR A 102 12.840 12.110 -1.964 1.00 0.00 O ATOM 1573 CB THR A 102 15.116 12.588 0.666 1.00 0.00 C ATOM 1574 OG1 THR A 102 16.076 13.580 1.063 1.00 0.00 O ATOM 1575 CG2 THR A 102 15.829 11.451 -0.051 1.00 0.00 C ATOM 1576 OXT THR A 102 12.456 11.514 0.111 1.00 0.00 O ATOM 0 H THR A 102 12.524 14.019 0.934 1.00 0.00 H new ATOM 0 HA THR A 102 14.587 13.664 -1.104 1.00 0.00 H new ATOM 0 HB THR A 102 14.613 12.180 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 102 16.903 13.139 1.349 1.00 0.00 H new ATOM 0 HG21 THR A 102 16.569 11.007 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 102 15.103 10.693 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 102 16.327 11.837 -0.940 1.00 0.00 H new TER 1584 THR A 102