USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 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 35 ASN : amide:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -163:sc= 0.0182 (180deg=0) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.137 (180deg=-0.599) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.862 (180deg=-0.135) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 164:sc= 0 (180deg=-0.41) USER MOD Single : A 12 MET CE :methyl 151:sc= -0.219 (180deg=-1.03) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -20:sc= 0.982 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.208 F(o=-1.4,f=-0.21) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.22 USER MOD Single : A 32 ASN : amide:sc=-0.00636 K(o=-0.0064,f=-0.7) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0163 USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.495 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -166:sc=-0.00876 (180deg=-0.516) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00966 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.409 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.147 F(o=-2.2,f=-0.15) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.0559 (180deg=-0.373) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.702 6.745 4.186 1.00 0.00 N ATOM 2 CA MET A 1 -12.442 6.534 2.766 1.00 0.00 C ATOM 3 C MET A 1 -11.601 5.281 2.549 1.00 0.00 C ATOM 4 O MET A 1 -10.683 4.996 3.318 1.00 0.00 O ATOM 5 CB MET A 1 -11.730 7.750 2.171 1.00 0.00 C ATOM 6 CG MET A 1 -10.427 8.096 2.872 1.00 0.00 C ATOM 7 SD MET A 1 -10.655 9.273 4.220 1.00 0.00 S ATOM 8 CE MET A 1 -11.093 10.751 3.308 1.00 0.00 C ATOM 0 H1 MET A 1 -13.721 6.887 4.335 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.386 5.913 4.724 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.184 7.586 4.513 1.00 0.00 H new ATOM 0 HA MET A 1 -13.399 6.400 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.527 7.562 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.398 8.610 2.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.976 7.184 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.728 8.511 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.822 11.632 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.557 10.765 2.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.166 10.757 3.119 1.00 0.00 H new ATOM 16 N ALA A 2 -11.920 4.534 1.496 1.00 0.00 N ATOM 17 CA ALA A 2 -11.193 3.313 1.177 1.00 0.00 C ATOM 18 C ALA A 2 -11.729 2.672 -0.099 1.00 0.00 C ATOM 19 O ALA A 2 -12.933 2.688 -0.353 1.00 0.00 O ATOM 20 CB ALA A 2 -11.274 2.332 2.337 1.00 0.00 C ATOM 0 H ALA A 2 -12.678 4.754 0.850 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.148 3.575 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.726 1.424 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.836 2.784 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.317 2.084 2.532 1.00 0.00 H new ATOM 26 N ARG A 3 -10.827 2.109 -0.896 1.00 0.00 N ATOM 27 CA ARG A 3 -11.211 1.464 -2.147 1.00 0.00 C ATOM 28 C ARG A 3 -9.989 0.892 -2.860 1.00 0.00 C ATOM 29 O ARG A 3 -8.852 1.145 -2.465 1.00 0.00 O ATOM 30 CB ARG A 3 -11.926 2.460 -3.060 1.00 0.00 C ATOM 31 CG ARG A 3 -13.203 1.912 -3.677 1.00 0.00 C ATOM 32 CD ARG A 3 -14.254 3.000 -3.843 1.00 0.00 C ATOM 33 NE ARG A 3 -14.989 3.243 -2.605 1.00 0.00 N ATOM 34 CZ ARG A 3 -15.970 2.461 -2.167 1.00 0.00 C ATOM 35 NH1 ARG A 3 -16.329 1.391 -2.863 1.00 0.00 N ATOM 36 NH2 ARG A 3 -16.593 2.747 -1.031 1.00 0.00 N ATOM 0 H ARG A 3 -9.827 2.086 -0.699 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.890 0.645 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.164 3.357 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.247 2.761 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.979 1.470 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.599 1.115 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.773 3.923 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.952 2.713 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.736 4.058 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.852 1.167 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.082 0.792 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.319 3.569 -0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.346 2.145 -0.697 1.00 0.00 H new ATOM 47 N GLY A 4 -10.234 0.116 -3.912 1.00 0.00 N ATOM 48 CA GLY A 4 -9.145 -0.482 -4.663 1.00 0.00 C ATOM 49 C GLY A 4 -9.522 -1.820 -5.266 1.00 0.00 C ATOM 50 O GLY A 4 -10.543 -2.405 -4.906 1.00 0.00 O ATOM 0 H GLY A 4 -11.167 -0.109 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.840 0.198 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.284 -0.612 -4.007 1.00 0.00 H new ATOM 54 N SER A 5 -8.696 -2.306 -6.187 1.00 0.00 N ATOM 55 CA SER A 5 -8.951 -3.581 -6.845 1.00 0.00 C ATOM 56 C SER A 5 -8.198 -4.712 -6.151 1.00 0.00 C ATOM 57 O SER A 5 -6.993 -4.880 -6.341 1.00 0.00 O ATOM 58 CB SER A 5 -8.542 -3.511 -8.318 1.00 0.00 C ATOM 59 OG SER A 5 -8.728 -4.761 -8.960 1.00 0.00 O ATOM 0 H SER A 5 -7.845 -1.836 -6.494 1.00 0.00 H new ATOM 0 HA SER A 5 -10.020 -3.786 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.130 -2.747 -8.826 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.497 -3.212 -8.394 1.00 0.00 H new ATOM 0 HG SER A 5 -8.461 -4.689 -9.900 1.00 0.00 H new ATOM 64 N VAL A 6 -8.918 -5.485 -5.344 1.00 0.00 N ATOM 65 CA VAL A 6 -8.319 -6.602 -4.620 1.00 0.00 C ATOM 66 C VAL A 6 -9.380 -7.602 -4.178 1.00 0.00 C ATOM 67 O VAL A 6 -10.510 -7.227 -3.865 1.00 0.00 O ATOM 68 CB VAL A 6 -7.541 -6.115 -3.383 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.381 -6.278 -2.126 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.223 -6.865 -3.255 1.00 0.00 C ATOM 0 H VAL A 6 -9.916 -5.359 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.627 -7.091 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.320 -5.055 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.815 -5.929 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.296 -5.693 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.635 -7.329 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.686 -6.509 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.420 -7.932 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.618 -6.692 -4.145 1.00 0.00 H new ATOM 80 N SER A 7 -9.009 -8.878 -4.154 1.00 0.00 N ATOM 81 CA SER A 7 -9.931 -9.935 -3.754 1.00 0.00 C ATOM 82 C SER A 7 -10.609 -9.592 -2.431 1.00 0.00 C ATOM 83 O SER A 7 -10.014 -8.954 -1.563 1.00 0.00 O ATOM 84 CB SER A 7 -9.189 -11.268 -3.629 1.00 0.00 C ATOM 85 OG SER A 7 -9.512 -12.134 -4.703 1.00 0.00 O ATOM 0 H SER A 7 -8.077 -9.205 -4.407 1.00 0.00 H new ATOM 0 HA SER A 7 -10.698 -10.025 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.114 -11.089 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.447 -11.744 -2.683 1.00 0.00 H new ATOM 0 HG SER A 7 -9.024 -12.978 -4.601 1.00 0.00 H new ATOM 90 N ASP A 8 -11.858 -10.020 -2.286 1.00 0.00 N ATOM 91 CA ASP A 8 -12.619 -9.760 -1.069 1.00 0.00 C ATOM 92 C ASP A 8 -11.807 -10.128 0.169 1.00 0.00 C ATOM 93 O ASP A 8 -11.627 -9.312 1.071 1.00 0.00 O ATOM 94 CB ASP A 8 -13.932 -10.544 -1.086 1.00 0.00 C ATOM 95 CG ASP A 8 -15.093 -9.718 -1.603 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.237 -9.962 -1.165 1.00 0.00 O ATOM 97 OD2 ASP A 8 -14.857 -8.825 -2.444 1.00 0.00 O ATOM 0 H ASP A 8 -12.365 -10.548 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.843 -8.694 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.814 -11.430 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.158 -10.891 -0.078 1.00 0.00 H new ATOM 101 N GLU A 9 -11.320 -11.365 0.203 1.00 0.00 N ATOM 102 CA GLU A 9 -10.530 -11.843 1.332 1.00 0.00 C ATOM 103 C GLU A 9 -9.439 -10.839 1.696 1.00 0.00 C ATOM 104 O GLU A 9 -9.388 -10.343 2.820 1.00 0.00 O ATOM 105 CB GLU A 9 -9.902 -13.199 1.006 1.00 0.00 C ATOM 106 CG GLU A 9 -10.735 -14.382 1.468 1.00 0.00 C ATOM 107 CD GLU A 9 -10.375 -15.668 0.746 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.327 -16.260 1.080 1.00 0.00 O ATOM 109 OE2 GLU A 9 -11.139 -16.078 -0.151 1.00 0.00 O ATOM 0 H GLU A 9 -11.458 -12.053 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.196 -11.956 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.751 -13.270 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.918 -13.255 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.598 -14.521 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.791 -14.163 1.307 1.00 0.00 H new ATOM 114 N GLU A 10 -8.568 -10.546 0.734 1.00 0.00 N ATOM 115 CA GLU A 10 -7.478 -9.603 0.953 1.00 0.00 C ATOM 116 C GLU A 10 -8.014 -8.246 1.398 1.00 0.00 C ATOM 117 O GLU A 10 -7.641 -7.735 2.453 1.00 0.00 O ATOM 118 CB GLU A 10 -6.648 -9.444 -0.322 1.00 0.00 C ATOM 119 CG GLU A 10 -5.380 -10.280 -0.331 1.00 0.00 C ATOM 120 CD GLU A 10 -5.566 -11.630 0.333 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.498 -12.361 -0.062 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.779 -11.955 1.248 1.00 0.00 O ATOM 0 H GLU A 10 -8.597 -10.948 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.842 -9.999 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.260 -9.719 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.382 -8.394 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.054 -10.428 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.586 -9.735 0.179 1.00 0.00 H new ATOM 127 N MET A 11 -8.892 -7.667 0.585 1.00 0.00 N ATOM 128 CA MET A 11 -9.480 -6.369 0.894 1.00 0.00 C ATOM 129 C MET A 11 -9.753 -6.239 2.389 1.00 0.00 C ATOM 130 O MET A 11 -9.453 -5.211 2.996 1.00 0.00 O ATOM 131 CB MET A 11 -10.777 -6.172 0.107 1.00 0.00 C ATOM 132 CG MET A 11 -11.217 -4.721 0.014 1.00 0.00 C ATOM 133 SD MET A 11 -10.005 -3.679 -0.820 1.00 0.00 S ATOM 134 CE MET A 11 -10.627 -2.048 -0.421 1.00 0.00 C ATOM 0 H MET A 11 -9.212 -8.076 -0.293 1.00 0.00 H new ATOM 0 HA MET A 11 -8.768 -5.597 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.645 -6.568 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.570 -6.754 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.166 -4.667 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.394 -4.334 1.018 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.852 -1.306 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.499 -1.830 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.909 -2.014 0.631 1.00 0.00 H new ATOM 142 N MET A 12 -10.324 -7.286 2.975 1.00 0.00 N ATOM 143 CA MET A 12 -10.636 -7.287 4.400 1.00 0.00 C ATOM 144 C MET A 12 -9.360 -7.298 5.236 1.00 0.00 C ATOM 145 O MET A 12 -9.228 -6.535 6.192 1.00 0.00 O ATOM 146 CB MET A 12 -11.502 -8.498 4.752 1.00 0.00 C ATOM 147 CG MET A 12 -12.994 -8.227 4.657 1.00 0.00 C ATOM 148 SD MET A 12 -13.961 -9.263 5.770 1.00 0.00 S ATOM 149 CE MET A 12 -13.377 -8.688 7.363 1.00 0.00 C ATOM 0 H MET A 12 -10.580 -8.144 2.486 1.00 0.00 H new ATOM 0 HA MET A 12 -11.189 -6.376 4.627 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.248 -9.322 4.085 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.264 -8.822 5.765 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.184 -7.178 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.325 -8.394 3.632 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.166 -8.809 8.105 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.505 -9.270 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.104 -7.635 7.292 1.00 0.00 H new ATOM 157 N GLU A 13 -8.425 -8.169 4.870 1.00 0.00 N ATOM 158 CA GLU A 13 -7.161 -8.279 5.588 1.00 0.00 C ATOM 159 C GLU A 13 -6.317 -7.021 5.401 1.00 0.00 C ATOM 160 O GLU A 13 -5.980 -6.336 6.367 1.00 0.00 O ATOM 161 CB GLU A 13 -6.381 -9.505 5.109 1.00 0.00 C ATOM 162 CG GLU A 13 -6.651 -10.756 5.928 1.00 0.00 C ATOM 163 CD GLU A 13 -8.014 -11.355 5.646 1.00 0.00 C ATOM 164 OE1 GLU A 13 -8.992 -10.939 6.303 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.105 -12.241 4.770 1.00 0.00 O ATOM 0 H GLU A 13 -8.519 -8.808 4.081 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.385 -8.391 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.633 -9.702 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.314 -9.282 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.881 -11.498 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.577 -10.515 6.988 1.00 0.00 H new ATOM 170 N LEU A 14 -5.980 -6.724 4.151 1.00 0.00 N ATOM 171 CA LEU A 14 -5.175 -5.549 3.835 1.00 0.00 C ATOM 172 C LEU A 14 -5.696 -4.318 4.570 1.00 0.00 C ATOM 173 O LEU A 14 -4.925 -3.566 5.167 1.00 0.00 O ATOM 174 CB LEU A 14 -5.177 -5.295 2.327 1.00 0.00 C ATOM 175 CG LEU A 14 -5.071 -6.535 1.437 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.822 -6.134 -0.009 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.968 -7.456 1.936 1.00 0.00 C ATOM 0 H LEU A 14 -6.251 -7.280 3.340 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.153 -5.740 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.094 -4.765 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.347 -4.630 2.090 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.016 -7.076 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.749 -7.029 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.647 -5.515 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.891 -5.571 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.907 -8.333 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.016 -6.926 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.190 -7.770 2.956 1.00 0.00 H new ATOM 188 N ARG A 15 -7.009 -4.120 4.524 1.00 0.00 N ATOM 189 CA ARG A 15 -7.633 -2.981 5.186 1.00 0.00 C ATOM 190 C ARG A 15 -7.396 -3.031 6.693 1.00 0.00 C ATOM 191 O ARG A 15 -7.016 -2.032 7.304 1.00 0.00 O ATOM 192 CB ARG A 15 -9.136 -2.956 4.897 1.00 0.00 C ATOM 193 CG ARG A 15 -9.919 -2.037 5.819 1.00 0.00 C ATOM 194 CD ARG A 15 -10.915 -1.187 5.045 1.00 0.00 C ATOM 195 NE ARG A 15 -10.843 0.222 5.422 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.832 1.087 5.225 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.962 0.689 4.658 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.692 2.353 5.596 1.00 0.00 N ATOM 0 H ARG A 15 -7.661 -4.733 4.035 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.179 -2.071 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.294 -2.642 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.531 -3.968 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.448 -2.632 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.229 -1.389 6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.723 -1.286 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.924 -1.559 5.223 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.987 0.561 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.074 -0.284 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.720 1.355 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.824 2.663 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.452 3.016 5.444 1.00 0.00 H new ATOM 209 N GLU A 16 -7.624 -4.199 7.284 1.00 0.00 N ATOM 210 CA GLU A 16 -7.435 -4.378 8.719 1.00 0.00 C ATOM 211 C GLU A 16 -6.060 -3.880 9.153 1.00 0.00 C ATOM 212 O GLU A 16 -5.948 -2.992 9.997 1.00 0.00 O ATOM 213 CB GLU A 16 -7.600 -5.851 9.098 1.00 0.00 C ATOM 214 CG GLU A 16 -9.029 -6.234 9.446 1.00 0.00 C ATOM 215 CD GLU A 16 -9.334 -6.070 10.922 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.362 -5.440 11.248 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.546 -6.570 11.751 1.00 0.00 O ATOM 0 H GLU A 16 -7.940 -5.035 6.792 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.194 -3.791 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.258 -6.471 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.956 -6.073 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.717 -5.619 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.205 -7.270 9.155 1.00 0.00 H new ATOM 222 N ALA A 17 -5.016 -4.459 8.570 1.00 0.00 N ATOM 223 CA ALA A 17 -3.648 -4.075 8.896 1.00 0.00 C ATOM 224 C ALA A 17 -3.413 -2.594 8.615 1.00 0.00 C ATOM 225 O ALA A 17 -2.989 -1.846 9.496 1.00 0.00 O ATOM 226 CB ALA A 17 -2.661 -4.926 8.111 1.00 0.00 C ATOM 0 H ALA A 17 -5.091 -5.196 7.869 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.492 -4.246 9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.643 -4.629 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.806 -5.977 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.826 -4.783 7.043 1.00 0.00 H new ATOM 232 N PHE A 18 -3.691 -2.179 7.384 1.00 0.00 N ATOM 233 CA PHE A 18 -3.508 -0.787 6.987 1.00 0.00 C ATOM 234 C PHE A 18 -3.977 0.159 8.089 1.00 0.00 C ATOM 235 O PHE A 18 -3.219 1.007 8.559 1.00 0.00 O ATOM 236 CB PHE A 18 -4.272 -0.498 5.693 1.00 0.00 C ATOM 237 CG PHE A 18 -4.185 0.935 5.254 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.280 1.321 4.278 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.010 1.897 5.816 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.199 2.639 3.870 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.932 3.216 5.412 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.025 3.588 4.439 1.00 0.00 C ATOM 0 H PHE A 18 -4.044 -2.786 6.644 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.444 -0.621 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.883 -1.137 4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.320 -0.764 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.630 0.583 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.721 1.612 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.491 2.926 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.580 3.956 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.962 4.619 4.124 1.00 0.00 H new ATOM 251 N ALA A 19 -5.233 0.006 8.498 1.00 0.00 N ATOM 252 CA ALA A 19 -5.803 0.844 9.545 1.00 0.00 C ATOM 253 C ALA A 19 -4.898 0.881 10.771 1.00 0.00 C ATOM 254 O ALA A 19 -4.634 1.947 11.329 1.00 0.00 O ATOM 255 CB ALA A 19 -7.190 0.346 9.923 1.00 0.00 C ATOM 0 H ALA A 19 -5.875 -0.691 8.120 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.888 1.860 9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.604 0.981 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.839 0.379 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.122 -0.680 10.286 1.00 0.00 H new ATOM 261 N LYS A 20 -4.427 -0.289 11.188 1.00 0.00 N ATOM 262 CA LYS A 20 -3.551 -0.391 12.351 1.00 0.00 C ATOM 263 C LYS A 20 -2.323 0.498 12.185 1.00 0.00 C ATOM 264 O LYS A 20 -1.751 0.972 13.167 1.00 0.00 O ATOM 265 CB LYS A 20 -3.118 -1.844 12.562 1.00 0.00 C ATOM 266 CG LYS A 20 -4.270 -2.834 12.522 1.00 0.00 C ATOM 267 CD LYS A 20 -4.267 -3.741 13.741 1.00 0.00 C ATOM 268 CE LYS A 20 -2.917 -4.418 13.928 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.945 -5.414 15.035 1.00 0.00 N ATOM 0 H LYS A 20 -4.637 -1.180 10.739 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.107 -0.053 13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.392 -2.113 11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.611 -1.927 13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.215 -2.293 12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.201 -3.438 11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.510 -3.159 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.044 -4.498 13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.627 -4.913 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.158 -3.664 14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.007 -5.853 15.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.196 -4.937 15.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.651 -6.148 14.824 1.00 0.00 H new ATOM 279 N VAL A 21 -1.922 0.721 10.937 1.00 0.00 N ATOM 280 CA VAL A 21 -0.763 1.556 10.644 1.00 0.00 C ATOM 281 C VAL A 21 -1.186 2.897 10.055 1.00 0.00 C ATOM 282 O VAL A 21 -0.347 3.703 9.652 1.00 0.00 O ATOM 283 CB VAL A 21 0.198 0.857 9.664 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.536 0.583 10.332 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.420 -0.431 9.141 1.00 0.00 C ATOM 0 H VAL A 21 -2.383 0.335 10.113 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.247 1.725 11.589 1.00 0.00 H new ATOM 0 HB VAL A 21 0.372 1.520 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.202 0.089 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.982 1.524 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.385 -0.061 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.272 -0.912 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.624 -1.102 9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.351 -0.203 8.622 1.00 0.00 H new ATOM 295 N ASP A 22 -2.494 3.129 10.006 1.00 0.00 N ATOM 296 CA ASP A 22 -3.030 4.374 9.468 1.00 0.00 C ATOM 297 C ASP A 22 -3.681 5.207 10.567 1.00 0.00 C ATOM 298 O ASP A 22 -4.776 5.741 10.392 1.00 0.00 O ATOM 299 CB ASP A 22 -4.046 4.080 8.364 1.00 0.00 C ATOM 300 CG ASP A 22 -4.492 5.335 7.639 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.617 6.109 7.198 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.718 5.543 7.513 1.00 0.00 O ATOM 0 H ASP A 22 -3.202 2.471 10.332 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.202 4.945 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.608 3.386 7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.916 3.585 8.797 1.00 0.00 H new ATOM 306 N THR A 23 -2.999 5.313 11.704 1.00 0.00 N ATOM 307 CA THR A 23 -3.511 6.078 12.834 1.00 0.00 C ATOM 308 C THR A 23 -3.200 7.562 12.679 1.00 0.00 C ATOM 309 O THR A 23 -3.454 8.357 13.583 1.00 0.00 O ATOM 310 CB THR A 23 -2.921 5.578 14.166 1.00 0.00 C ATOM 311 OG1 THR A 23 -3.468 6.327 15.256 1.00 0.00 O ATOM 312 CG2 THR A 23 -1.405 5.705 14.167 1.00 0.00 C ATOM 0 H THR A 23 -2.091 4.878 11.866 1.00 0.00 H new ATOM 0 HA THR A 23 -4.591 5.935 12.848 1.00 0.00 H new ATOM 0 HB THR A 23 -3.182 4.526 14.282 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.836 7.171 14.921 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.010 5.346 15.118 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.990 5.110 13.354 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.127 6.750 14.030 1.00 0.00 H new ATOM 320 N ASP A 24 -2.650 7.930 11.526 1.00 0.00 N ATOM 321 CA ASP A 24 -2.306 9.320 11.252 1.00 0.00 C ATOM 322 C ASP A 24 -3.549 10.203 11.278 1.00 0.00 C ATOM 323 O ASP A 24 -3.453 11.425 11.378 1.00 0.00 O ATOM 324 CB ASP A 24 -1.610 9.437 9.895 1.00 0.00 C ATOM 325 CG ASP A 24 -2.293 8.612 8.822 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.925 7.430 8.656 1.00 0.00 O ATOM 327 OD2 ASP A 24 -3.197 9.149 8.147 1.00 0.00 O ATOM 0 H ASP A 24 -2.433 7.284 10.767 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.625 9.660 12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.591 10.483 9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.573 9.115 9.992 1.00 0.00 H new ATOM 331 N GLY A 25 -4.717 9.574 11.188 1.00 0.00 N ATOM 332 CA GLY A 25 -5.963 10.318 11.202 1.00 0.00 C ATOM 333 C GLY A 25 -6.185 11.102 9.924 1.00 0.00 C ATOM 334 O GLY A 25 -7.004 12.019 9.885 1.00 0.00 O ATOM 0 H GLY A 25 -4.822 8.563 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.793 9.627 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.964 11.003 12.050 1.00 0.00 H new ATOM 338 N ASN A 26 -5.451 10.742 8.877 1.00 0.00 N ATOM 339 CA ASN A 26 -5.570 11.420 7.591 1.00 0.00 C ATOM 340 C ASN A 26 -6.147 10.483 6.533 1.00 0.00 C ATOM 341 O ASN A 26 -6.654 10.929 5.504 1.00 0.00 O ATOM 342 CB ASN A 26 -4.205 11.940 7.136 1.00 0.00 C ATOM 343 CG ASN A 26 -3.581 12.883 8.146 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.380 12.550 8.603 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.172 13.900 8.509 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.768 9.985 8.893 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.250 12.263 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.535 11.097 6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.315 12.455 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.094 14.116 8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.739 14.526 9.188 1.00 0.00 H new ATOM 351 N GLY A 27 -6.067 9.182 6.796 1.00 0.00 N ATOM 352 CA GLY A 27 -6.585 8.203 5.858 1.00 0.00 C ATOM 353 C GLY A 27 -5.485 7.472 5.115 1.00 0.00 C ATOM 354 O GLY A 27 -5.672 6.337 4.675 1.00 0.00 O ATOM 0 H GLY A 27 -5.653 8.789 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.199 7.480 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.235 8.702 5.139 1.00 0.00 H new ATOM 358 N TYR A 28 -4.336 8.122 4.975 1.00 0.00 N ATOM 359 CA TYR A 28 -3.202 7.528 4.276 1.00 0.00 C ATOM 360 C TYR A 28 -2.031 7.305 5.229 1.00 0.00 C ATOM 361 O TYR A 28 -1.810 8.090 6.151 1.00 0.00 O ATOM 362 CB TYR A 28 -2.765 8.423 3.115 1.00 0.00 C ATOM 363 CG TYR A 28 -2.924 9.900 3.396 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.142 10.532 4.356 1.00 0.00 C ATOM 365 CD2 TYR A 28 -3.855 10.663 2.704 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.283 11.881 4.616 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.002 12.012 2.956 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.214 12.617 3.914 1.00 0.00 C ATOM 369 OH TYR A 28 -3.359 13.962 4.170 1.00 0.00 O ATOM 0 H TYR A 28 -4.164 9.060 5.336 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.517 6.562 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.721 8.217 2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.347 8.165 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.412 9.958 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.475 10.193 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.667 12.357 5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.730 12.591 2.407 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.056 14.332 3.589 1.00 0.00 H new ATOM 378 N ILE A 29 -1.286 6.230 4.999 1.00 0.00 N ATOM 379 CA ILE A 29 -0.137 5.904 5.834 1.00 0.00 C ATOM 380 C ILE A 29 1.155 6.447 5.231 1.00 0.00 C ATOM 381 O ILE A 29 1.148 7.029 4.146 1.00 0.00 O ATOM 382 CB ILE A 29 0.003 4.382 6.031 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.288 3.697 4.693 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.256 3.813 6.666 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.320 2.187 4.782 1.00 0.00 C ATOM 0 H ILE A 29 -1.457 5.569 4.241 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.309 6.374 6.802 1.00 0.00 H new ATOM 0 HB ILE A 29 0.842 4.192 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.474 3.994 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.245 4.051 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.142 2.737 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.419 4.283 7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.111 4.010 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.527 1.769 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.101 1.880 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.645 1.823 5.135 1.00 0.00 H new ATOM 396 N SER A 30 2.261 6.251 5.940 1.00 0.00 N ATOM 397 CA SER A 30 3.560 6.724 5.476 1.00 0.00 C ATOM 398 C SER A 30 4.349 5.591 4.827 1.00 0.00 C ATOM 399 O SER A 30 4.032 4.415 5.006 1.00 0.00 O ATOM 400 CB SER A 30 4.358 7.315 6.640 1.00 0.00 C ATOM 401 OG SER A 30 5.716 7.503 6.284 1.00 0.00 O ATOM 0 H SER A 30 2.284 5.768 6.838 1.00 0.00 H new ATOM 0 HA SER A 30 3.391 7.501 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.921 8.269 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.293 6.652 7.503 1.00 0.00 H new ATOM 0 HG SER A 30 6.204 7.883 7.044 1.00 0.00 H new ATOM 406 N PHE A 31 5.382 5.954 4.072 1.00 0.00 N ATOM 407 CA PHE A 31 6.217 4.970 3.394 1.00 0.00 C ATOM 408 C PHE A 31 6.590 3.832 4.340 1.00 0.00 C ATOM 409 O PHE A 31 6.327 2.664 4.057 1.00 0.00 O ATOM 410 CB PHE A 31 7.485 5.633 2.851 1.00 0.00 C ATOM 411 CG PHE A 31 7.454 5.854 1.365 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.268 5.111 0.525 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.615 6.806 0.810 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.243 5.312 -0.842 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.585 7.011 -0.556 1.00 0.00 C ATOM 416 CZ PHE A 31 7.401 6.264 -1.384 1.00 0.00 C ATOM 0 H PHE A 31 5.660 6.923 3.915 1.00 0.00 H new ATOM 0 HA PHE A 31 5.647 4.557 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.627 6.591 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.346 5.013 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.929 4.367 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.977 7.395 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.881 4.725 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.924 7.755 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.381 6.424 -2.452 1.00 0.00 H new ATOM 425 N ASN A 32 7.208 4.182 5.463 1.00 0.00 N ATOM 426 CA ASN A 32 7.619 3.190 6.451 1.00 0.00 C ATOM 427 C ASN A 32 6.440 2.318 6.871 1.00 0.00 C ATOM 428 O ASN A 32 6.547 1.093 6.917 1.00 0.00 O ATOM 429 CB ASN A 32 8.220 3.880 7.677 1.00 0.00 C ATOM 430 CG ASN A 32 9.441 4.712 7.332 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.158 4.416 6.377 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.681 5.760 8.112 1.00 0.00 N ATOM 0 H ASN A 32 7.435 5.145 5.712 1.00 0.00 H new ATOM 0 HA ASN A 32 8.375 2.551 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.466 4.519 8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.494 3.127 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.487 6.357 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.059 5.967 8.893 1.00 0.00 H new ATOM 438 N GLU A 33 5.316 2.960 7.175 1.00 0.00 N ATOM 439 CA GLU A 33 4.117 2.243 7.591 1.00 0.00 C ATOM 440 C GLU A 33 3.669 1.260 6.512 1.00 0.00 C ATOM 441 O GLU A 33 3.256 0.138 6.811 1.00 0.00 O ATOM 442 CB GLU A 33 2.987 3.228 7.899 1.00 0.00 C ATOM 443 CG GLU A 33 3.338 4.237 8.980 1.00 0.00 C ATOM 444 CD GLU A 33 4.476 3.770 9.866 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.271 2.811 10.639 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.572 4.364 9.788 1.00 0.00 O ATOM 0 H GLU A 33 5.211 3.974 7.141 1.00 0.00 H new ATOM 0 HA GLU A 33 4.356 1.681 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.723 3.763 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.103 2.669 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.611 5.184 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.458 4.426 9.595 1.00 0.00 H new ATOM 451 N LEU A 34 3.752 1.689 5.258 1.00 0.00 N ATOM 452 CA LEU A 34 3.354 0.848 4.134 1.00 0.00 C ATOM 453 C LEU A 34 4.112 -0.476 4.150 1.00 0.00 C ATOM 454 O LEU A 34 3.513 -1.541 4.287 1.00 0.00 O ATOM 455 CB LEU A 34 3.607 1.577 2.813 1.00 0.00 C ATOM 456 CG LEU A 34 3.801 0.690 1.583 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.554 -0.140 1.321 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.148 1.534 0.365 1.00 0.00 C ATOM 0 H LEU A 34 4.091 2.614 4.993 1.00 0.00 H new ATOM 0 HA LEU A 34 2.289 0.637 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.768 2.247 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.493 2.201 2.929 1.00 0.00 H new ATOM 0 HG LEU A 34 4.631 0.010 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.711 -0.765 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.350 -0.773 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.706 0.522 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.282 0.885 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.340 2.239 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.070 2.083 0.554 1.00 0.00 H new ATOM 469 N ASN A 35 5.431 -0.399 4.011 1.00 0.00 N ATOM 470 CA ASN A 35 6.271 -1.591 4.011 1.00 0.00 C ATOM 471 C ASN A 35 5.919 -2.503 5.183 1.00 0.00 C ATOM 472 O ASN A 35 5.752 -3.711 5.013 1.00 0.00 O ATOM 473 CB ASN A 35 7.748 -1.201 4.079 1.00 0.00 C ATOM 474 CG ASN A 35 8.665 -2.409 4.100 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.607 -3.229 5.015 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.517 -2.521 3.088 1.00 0.00 N ATOM 0 H ASN A 35 5.942 0.477 3.897 1.00 0.00 H new ATOM 0 HA ASN A 35 6.089 -2.133 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.996 -0.575 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.922 -0.601 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.159 -3.312 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.529 -1.816 2.351 1.00 0.00 H new ATOM 482 N ASP A 36 5.809 -1.916 6.369 1.00 0.00 N ATOM 483 CA ASP A 36 5.475 -2.675 7.569 1.00 0.00 C ATOM 484 C ASP A 36 4.095 -3.312 7.444 1.00 0.00 C ATOM 485 O ASP A 36 3.862 -4.417 7.933 1.00 0.00 O ATOM 486 CB ASP A 36 5.524 -1.770 8.801 1.00 0.00 C ATOM 487 CG ASP A 36 6.819 -0.987 8.893 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.862 0.001 9.655 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.789 -1.362 8.203 1.00 0.00 O ATOM 0 H ASP A 36 5.946 -0.917 6.526 1.00 0.00 H new ATOM 0 HA ASP A 36 6.212 -3.470 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.684 -1.076 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.405 -2.377 9.699 1.00 0.00 H new ATOM 493 N LEU A 37 3.181 -2.606 6.786 1.00 0.00 N ATOM 494 CA LEU A 37 1.821 -3.100 6.597 1.00 0.00 C ATOM 495 C LEU A 37 1.803 -4.291 5.644 1.00 0.00 C ATOM 496 O LEU A 37 1.014 -5.221 5.811 1.00 0.00 O ATOM 497 CB LEU A 37 0.923 -1.987 6.059 1.00 0.00 C ATOM 498 CG LEU A 37 -0.206 -2.427 5.127 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.136 -3.398 5.838 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.981 -1.220 4.619 1.00 0.00 C ATOM 0 H LEU A 37 3.357 -1.690 6.374 1.00 0.00 H new ATOM 0 HA LEU A 37 1.441 -3.427 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.483 -1.461 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.547 -1.269 5.527 1.00 0.00 H new ATOM 0 HG LEU A 37 0.235 -2.937 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.934 -3.701 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.573 -4.277 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.569 -2.913 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.780 -1.553 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.410 -0.681 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.308 -0.560 4.072 1.00 0.00 H new ATOM 511 N PHE A 38 2.679 -4.256 4.645 1.00 0.00 N ATOM 512 CA PHE A 38 2.764 -5.333 3.665 1.00 0.00 C ATOM 513 C PHE A 38 3.178 -6.641 4.330 1.00 0.00 C ATOM 514 O PHE A 38 2.563 -7.685 4.111 1.00 0.00 O ATOM 515 CB PHE A 38 3.762 -4.969 2.562 1.00 0.00 C ATOM 516 CG PHE A 38 3.122 -4.766 1.219 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.045 -5.808 0.308 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.599 -3.533 0.865 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.456 -5.624 -0.929 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.009 -3.343 -0.370 1.00 0.00 C ATOM 521 CZ PHE A 38 1.938 -4.389 -1.268 1.00 0.00 C ATOM 0 H PHE A 38 3.340 -3.494 4.493 1.00 0.00 H new ATOM 0 HA PHE A 38 1.777 -5.468 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.289 -4.058 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.509 -5.759 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.450 -6.775 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.653 -2.710 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.401 -6.444 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.604 -2.377 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.478 -4.242 -2.234 1.00 0.00 H new ATOM 530 N LYS A 39 4.226 -6.579 5.145 1.00 0.00 N ATOM 531 CA LYS A 39 4.724 -7.758 5.843 1.00 0.00 C ATOM 532 C LYS A 39 3.814 -8.122 7.012 1.00 0.00 C ATOM 533 O LYS A 39 3.652 -9.296 7.342 1.00 0.00 O ATOM 534 CB LYS A 39 6.148 -7.512 6.348 1.00 0.00 C ATOM 535 CG LYS A 39 7.035 -6.793 5.346 1.00 0.00 C ATOM 536 CD LYS A 39 8.435 -6.576 5.894 1.00 0.00 C ATOM 537 CE LYS A 39 8.412 -5.728 7.157 1.00 0.00 C ATOM 538 NZ LYS A 39 9.715 -5.044 7.388 1.00 0.00 N ATOM 0 H LYS A 39 4.747 -5.724 5.338 1.00 0.00 H new ATOM 0 HA LYS A 39 4.733 -8.591 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.102 -6.926 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.604 -8.469 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.090 -7.374 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.591 -5.831 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.896 -7.540 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.052 -6.089 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.619 -4.984 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.176 -6.359 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.766 -4.719 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.493 -5.708 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.796 -4.227 6.750 1.00 0.00 H new ATOM 548 N ALA A 40 3.223 -7.108 7.634 1.00 0.00 N ATOM 549 CA ALA A 40 2.327 -7.323 8.763 1.00 0.00 C ATOM 550 C ALA A 40 1.026 -7.980 8.315 1.00 0.00 C ATOM 551 O ALA A 40 0.371 -8.675 9.091 1.00 0.00 O ATOM 552 CB ALA A 40 2.039 -6.004 9.467 1.00 0.00 C ATOM 0 H ALA A 40 3.348 -6.129 7.375 1.00 0.00 H new ATOM 0 HA ALA A 40 2.821 -7.996 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.368 -6.179 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.972 -5.574 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.570 -5.313 8.767 1.00 0.00 H new ATOM 558 N ALA A 41 0.657 -7.754 7.058 1.00 0.00 N ATOM 559 CA ALA A 41 -0.565 -8.326 6.507 1.00 0.00 C ATOM 560 C ALA A 41 -0.302 -9.696 5.891 1.00 0.00 C ATOM 561 O ALA A 41 -1.146 -10.240 5.179 1.00 0.00 O ATOM 562 CB ALA A 41 -1.166 -7.387 5.470 1.00 0.00 C ATOM 0 H ALA A 41 1.187 -7.179 6.403 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.276 -8.454 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.078 -7.826 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.400 -6.431 5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.451 -7.231 4.663 1.00 0.00 H new ATOM 568 N CYS A 42 0.874 -10.248 6.171 1.00 0.00 N ATOM 569 CA CYS A 42 1.249 -11.555 5.643 1.00 0.00 C ATOM 570 C CYS A 42 0.999 -11.627 4.140 1.00 0.00 C ATOM 571 O CYS A 42 0.317 -12.532 3.656 1.00 0.00 O ATOM 572 CB CYS A 42 0.468 -12.659 6.356 1.00 0.00 C ATOM 573 SG CYS A 42 0.875 -12.838 8.109 1.00 0.00 S ATOM 0 H CYS A 42 1.583 -9.811 6.760 1.00 0.00 H new ATOM 0 HA CYS A 42 2.314 -11.700 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.598 -12.454 6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.657 -13.607 5.852 1.00 0.00 H new ATOM 0 HG CYS A 42 0.162 -13.795 8.625 1.00 0.00 H new ATOM 578 N LEU A 43 1.553 -10.668 3.407 1.00 0.00 N ATOM 579 CA LEU A 43 1.389 -10.621 1.958 1.00 0.00 C ATOM 580 C LEU A 43 2.433 -11.489 1.264 1.00 0.00 C ATOM 581 O LEU A 43 3.453 -11.861 1.845 1.00 0.00 O ATOM 582 CB LEU A 43 1.494 -9.178 1.459 1.00 0.00 C ATOM 583 CG LEU A 43 0.182 -8.398 1.382 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.846 -8.984 2.339 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.417 -6.927 1.687 1.00 0.00 C ATOM 0 H LEU A 43 2.120 -9.912 3.792 1.00 0.00 H new ATOM 0 HA LEU A 43 0.400 -11.011 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.177 -8.637 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.945 -9.190 0.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.207 -8.481 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.773 -8.415 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.038 -10.024 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.464 -8.933 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.528 -6.388 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.830 -6.825 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.118 -6.513 0.962 1.00 0.00 H new ATOM 596 N PRO A 44 2.177 -11.818 -0.012 1.00 0.00 N ATOM 597 CA PRO A 44 3.085 -12.643 -0.814 1.00 0.00 C ATOM 598 C PRO A 44 4.379 -11.913 -1.159 1.00 0.00 C ATOM 599 O PRO A 44 5.473 -12.449 -0.977 1.00 0.00 O ATOM 600 CB PRO A 44 2.277 -12.927 -2.083 1.00 0.00 C ATOM 601 CG PRO A 44 1.316 -11.793 -2.183 1.00 0.00 C ATOM 602 CD PRO A 44 0.981 -11.408 -0.768 1.00 0.00 C ATOM 0 HA PRO A 44 3.398 -13.541 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.922 -12.977 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.756 -13.882 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.757 -10.954 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.420 -12.088 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.794 -10.338 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.086 -11.919 -0.413 1.00 0.00 H new ATOM 607 N LEU A 45 4.247 -10.689 -1.659 1.00 0.00 N ATOM 608 CA LEU A 45 5.407 -9.885 -2.029 1.00 0.00 C ATOM 609 C LEU A 45 6.383 -9.769 -0.863 1.00 0.00 C ATOM 610 O LEU A 45 5.992 -9.641 0.297 1.00 0.00 O ATOM 611 CB LEU A 45 4.964 -8.492 -2.479 1.00 0.00 C ATOM 612 CG LEU A 45 4.044 -8.442 -3.700 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.397 -7.255 -4.584 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.132 -9.741 -4.487 1.00 0.00 C ATOM 0 H LEU A 45 3.349 -10.232 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 45 5.915 -10.382 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.455 -8.008 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.854 -7.902 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 45 3.018 -8.319 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.733 -7.235 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.282 -6.332 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.429 -7.347 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.471 -9.688 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.158 -9.894 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.830 -10.573 -3.851 1.00 0.00 H new ATOM 625 N PRO A 46 7.687 -9.811 -1.176 1.00 0.00 N ATOM 626 CA PRO A 46 8.747 -9.709 -0.169 1.00 0.00 C ATOM 627 C PRO A 46 8.839 -8.313 0.438 1.00 0.00 C ATOM 628 O PRO A 46 7.950 -7.484 0.248 1.00 0.00 O ATOM 629 CB PRO A 46 10.018 -10.033 -0.958 1.00 0.00 C ATOM 630 CG PRO A 46 9.692 -9.674 -2.366 1.00 0.00 C ATOM 631 CD PRO A 46 8.226 -9.962 -2.538 1.00 0.00 C ATOM 0 HA PRO A 46 8.571 -10.375 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.869 -9.460 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.281 -11.087 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.909 -8.624 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.289 -10.258 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.759 -9.266 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.057 -10.966 -2.928 1.00 0.00 H new ATOM 636 N GLY A 47 9.920 -8.060 1.169 1.00 0.00 N ATOM 637 CA GLY A 47 10.107 -6.762 1.792 1.00 0.00 C ATOM 638 C GLY A 47 10.698 -5.743 0.840 1.00 0.00 C ATOM 639 O GLY A 47 10.308 -4.574 0.850 1.00 0.00 O ATOM 0 H GLY A 47 10.670 -8.730 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.148 -6.397 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.761 -6.868 2.657 1.00 0.00 H new ATOM 643 N TYR A 48 11.643 -6.182 0.017 1.00 0.00 N ATOM 644 CA TYR A 48 12.293 -5.297 -0.942 1.00 0.00 C ATOM 645 C TYR A 48 11.327 -4.892 -2.052 1.00 0.00 C ATOM 646 O TYR A 48 11.291 -3.734 -2.467 1.00 0.00 O ATOM 647 CB TYR A 48 13.522 -5.980 -1.546 1.00 0.00 C ATOM 648 CG TYR A 48 13.269 -7.404 -1.987 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.749 -7.680 -3.245 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.549 -8.472 -1.145 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.515 -8.979 -3.652 1.00 0.00 C ATOM 652 CE2 TYR A 48 13.320 -9.776 -1.544 1.00 0.00 C ATOM 653 CZ TYR A 48 12.803 -10.023 -2.798 1.00 0.00 C ATOM 654 OH TYR A 48 12.572 -11.320 -3.199 1.00 0.00 O ATOM 0 H TYR A 48 11.976 -7.146 -0.005 1.00 0.00 H new ATOM 0 HA TYR A 48 12.608 -4.398 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.866 -5.399 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.328 -5.974 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.524 -6.865 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.953 -8.281 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.109 -9.176 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.545 -10.596 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 48 12.829 -11.935 -2.481 1.00 0.00 H new ATOM 663 N ARG A 49 10.543 -5.856 -2.526 1.00 0.00 N ATOM 664 CA ARG A 49 9.577 -5.601 -3.587 1.00 0.00 C ATOM 665 C ARG A 49 8.684 -4.416 -3.235 1.00 0.00 C ATOM 666 O ARG A 49 8.430 -3.546 -4.070 1.00 0.00 O ATOM 667 CB ARG A 49 8.719 -6.845 -3.834 1.00 0.00 C ATOM 668 CG ARG A 49 9.320 -7.807 -4.846 1.00 0.00 C ATOM 669 CD ARG A 49 8.925 -7.438 -6.267 1.00 0.00 C ATOM 670 NE ARG A 49 8.751 -8.617 -7.111 1.00 0.00 N ATOM 671 CZ ARG A 49 7.635 -9.336 -7.146 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.601 -8.999 -6.389 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.553 -10.396 -7.940 1.00 0.00 N ATOM 0 H ARG A 49 10.558 -6.820 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 49 10.128 -5.361 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.573 -7.369 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.734 -6.534 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.406 -7.800 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.988 -8.822 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.998 -6.866 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.689 -6.792 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 49 9.529 -8.904 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.661 -8.185 -5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.745 -9.553 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.347 -10.659 -8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.696 -10.948 -7.967 1.00 0.00 H new ATOM 684 N VAL A 50 8.208 -4.387 -1.995 1.00 0.00 N ATOM 685 CA VAL A 50 7.344 -3.308 -1.532 1.00 0.00 C ATOM 686 C VAL A 50 8.110 -1.994 -1.431 1.00 0.00 C ATOM 687 O VAL A 50 7.706 -0.982 -2.006 1.00 0.00 O ATOM 688 CB VAL A 50 6.724 -3.634 -0.160 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.733 -2.555 0.249 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.056 -5.000 -0.189 1.00 0.00 C ATOM 0 H VAL A 50 8.406 -5.099 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 50 6.547 -3.205 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 50 7.522 -3.660 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.306 -2.803 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.246 -1.595 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.936 -2.493 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.623 -5.214 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.269 -5.004 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.796 -5.762 -0.433 1.00 0.00 H new ATOM 700 N ARG A 51 9.218 -2.016 -0.698 1.00 0.00 N ATOM 701 CA ARG A 51 10.042 -0.826 -0.521 1.00 0.00 C ATOM 702 C ARG A 51 10.427 -0.226 -1.871 1.00 0.00 C ATOM 703 O ARG A 51 10.399 0.990 -2.050 1.00 0.00 O ATOM 704 CB ARG A 51 11.302 -1.166 0.276 1.00 0.00 C ATOM 705 CG ARG A 51 12.377 -0.094 0.203 1.00 0.00 C ATOM 706 CD ARG A 51 13.020 0.145 1.559 1.00 0.00 C ATOM 707 NE ARG A 51 13.119 1.568 1.875 1.00 0.00 N ATOM 708 CZ ARG A 51 12.096 2.297 2.308 1.00 0.00 C ATOM 709 NH1 ARG A 51 10.904 1.741 2.475 1.00 0.00 N ATOM 710 NH2 ARG A 51 12.264 3.586 2.573 1.00 0.00 N ATOM 0 H ARG A 51 9.566 -2.845 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 51 9.459 -0.090 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.030 -1.325 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.712 -2.106 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.141 -0.392 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.941 0.836 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.437 -0.358 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.015 -0.299 1.572 1.00 0.00 H new ATOM 0 HE ARG A 51 14.022 2.027 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.770 0.751 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.121 2.304 2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.179 4.018 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.478 4.145 2.905 1.00 0.00 H new ATOM 721 N GLU A 52 10.786 -1.090 -2.816 1.00 0.00 N ATOM 722 CA GLU A 52 11.177 -0.645 -4.147 1.00 0.00 C ATOM 723 C GLU A 52 9.982 -0.070 -4.903 1.00 0.00 C ATOM 724 O GLU A 52 10.048 1.035 -5.440 1.00 0.00 O ATOM 725 CB GLU A 52 11.785 -1.805 -4.939 1.00 0.00 C ATOM 726 CG GLU A 52 13.304 -1.823 -4.923 1.00 0.00 C ATOM 727 CD GLU A 52 13.911 -0.629 -5.636 1.00 0.00 C ATOM 728 OE1 GLU A 52 14.794 0.027 -5.047 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.499 -0.351 -6.782 1.00 0.00 O ATOM 0 H GLU A 52 10.814 -2.101 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 52 11.925 0.140 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.415 -2.746 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.442 -1.748 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.652 -1.840 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.657 -2.740 -5.394 1.00 0.00 H new ATOM 734 N ILE A 53 8.893 -0.830 -4.940 1.00 0.00 N ATOM 735 CA ILE A 53 7.684 -0.396 -5.629 1.00 0.00 C ATOM 736 C ILE A 53 7.303 1.025 -5.229 1.00 0.00 C ATOM 737 O ILE A 53 6.973 1.854 -6.079 1.00 0.00 O ATOM 738 CB ILE A 53 6.499 -1.336 -5.330 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.655 -2.649 -6.101 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.184 -0.658 -5.687 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.914 -3.808 -5.473 1.00 0.00 C ATOM 0 H ILE A 53 8.823 -1.748 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 53 7.901 -0.424 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 53 6.492 -1.562 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.296 -2.508 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.714 -2.898 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.356 -1.333 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.073 0.253 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.180 -0.407 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.069 -4.706 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.289 -3.976 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.849 -3.579 -5.431 1.00 0.00 H new ATOM 752 N THR A 54 7.353 1.303 -3.929 1.00 0.00 N ATOM 753 CA THR A 54 7.014 2.625 -3.418 1.00 0.00 C ATOM 754 C THR A 54 8.060 3.657 -3.826 1.00 0.00 C ATOM 755 O THR A 54 7.735 4.670 -4.444 1.00 0.00 O ATOM 756 CB THR A 54 6.888 2.617 -1.882 1.00 0.00 C ATOM 757 OG1 THR A 54 6.648 1.285 -1.418 1.00 0.00 O ATOM 758 CG2 THR A 54 5.761 3.530 -1.427 1.00 0.00 C ATOM 0 H THR A 54 7.625 0.630 -3.212 1.00 0.00 H new ATOM 0 HA THR A 54 6.052 2.896 -3.853 1.00 0.00 H new ATOM 0 HB THR A 54 7.823 2.985 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.456 0.745 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.691 3.508 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.963 4.549 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.820 3.189 -1.858 1.00 0.00 H new ATOM 766 N GLU A 55 9.314 3.392 -3.476 1.00 0.00 N ATOM 767 CA GLU A 55 10.407 4.299 -3.807 1.00 0.00 C ATOM 768 C GLU A 55 10.398 4.641 -5.295 1.00 0.00 C ATOM 769 O GLU A 55 10.708 5.766 -5.685 1.00 0.00 O ATOM 770 CB GLU A 55 11.751 3.676 -3.424 1.00 0.00 C ATOM 771 CG GLU A 55 12.518 4.476 -2.384 1.00 0.00 C ATOM 772 CD GLU A 55 13.832 5.013 -2.915 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.146 6.190 -2.638 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.546 4.259 -3.608 1.00 0.00 O ATOM 0 H GLU A 55 9.599 2.557 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 55 10.266 5.219 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.580 2.669 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.365 3.577 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.901 5.307 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.711 3.846 -1.516 1.00 0.00 H new ATOM 779 N ASN A 56 10.040 3.662 -6.119 1.00 0.00 N ATOM 780 CA ASN A 56 9.992 3.859 -7.564 1.00 0.00 C ATOM 781 C ASN A 56 8.654 4.457 -7.987 1.00 0.00 C ATOM 782 O ASN A 56 8.540 5.055 -9.058 1.00 0.00 O ATOM 783 CB ASN A 56 10.222 2.531 -8.287 1.00 0.00 C ATOM 784 CG ASN A 56 11.669 2.340 -8.702 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.574 2.366 -7.867 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.894 2.149 -9.996 1.00 0.00 N ATOM 0 H ASN A 56 9.779 2.725 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 56 10.784 4.556 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.922 1.710 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.585 2.486 -9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.847 2.016 -10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.114 2.135 -10.653 1.00 0.00 H new ATOM 792 N LEU A 57 7.644 4.291 -7.140 1.00 0.00 N ATOM 793 CA LEU A 57 6.313 4.815 -7.425 1.00 0.00 C ATOM 794 C LEU A 57 6.336 6.337 -7.523 1.00 0.00 C ATOM 795 O LEU A 57 6.029 6.905 -8.571 1.00 0.00 O ATOM 796 CB LEU A 57 5.328 4.377 -6.339 1.00 0.00 C ATOM 797 CG LEU A 57 4.138 3.540 -6.810 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.007 4.438 -7.284 1.00 0.00 C ATOM 799 CD2 LEU A 57 4.563 2.585 -7.915 1.00 0.00 C ATOM 0 H LEU A 57 7.721 3.798 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 57 5.989 4.413 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.875 3.805 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.946 5.269 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 57 3.776 2.951 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.169 3.824 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.685 5.080 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.355 5.055 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.704 1.997 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.951 3.155 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.339 1.917 -7.540 1.00 0.00 H new ATOM 810 N MET A 58 6.704 6.990 -6.427 1.00 0.00 N ATOM 811 CA MET A 58 6.772 8.446 -6.392 1.00 0.00 C ATOM 812 C MET A 58 8.096 8.943 -6.961 1.00 0.00 C ATOM 813 O MET A 58 8.290 10.145 -7.149 1.00 0.00 O ATOM 814 CB MET A 58 6.598 8.951 -4.957 1.00 0.00 C ATOM 815 CG MET A 58 7.574 8.329 -3.972 1.00 0.00 C ATOM 816 SD MET A 58 8.988 9.394 -3.628 1.00 0.00 S ATOM 817 CE MET A 58 9.078 9.271 -1.844 1.00 0.00 C ATOM 0 H MET A 58 6.960 6.534 -5.551 1.00 0.00 H new ATOM 0 HA MET A 58 5.963 8.838 -7.009 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.722 10.034 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.580 8.743 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.053 8.111 -3.040 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.929 7.378 -4.369 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.730 10.054 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.080 9.388 -1.420 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.478 8.296 -1.566 1.00 0.00 H new ATOM 825 N ALA A 59 9.004 8.013 -7.235 1.00 0.00 N ATOM 826 CA ALA A 59 10.309 8.358 -7.786 1.00 0.00 C ATOM 827 C ALA A 59 10.175 9.346 -8.939 1.00 0.00 C ATOM 828 O ALA A 59 11.090 10.121 -9.216 1.00 0.00 O ATOM 829 CB ALA A 59 11.036 7.103 -8.245 1.00 0.00 C ATOM 0 H ALA A 59 8.860 7.014 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 59 10.893 8.836 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.009 7.375 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.174 6.432 -7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.447 6.602 -9.013 1.00 0.00 H new ATOM 835 N THR A 60 9.027 9.314 -9.610 1.00 0.00 N ATOM 836 CA THR A 60 8.774 10.205 -10.734 1.00 0.00 C ATOM 837 C THR A 60 7.788 11.304 -10.354 1.00 0.00 C ATOM 838 O THR A 60 8.094 12.491 -10.461 1.00 0.00 O ATOM 839 CB THR A 60 8.223 9.435 -11.949 1.00 0.00 C ATOM 840 OG1 THR A 60 7.324 8.408 -11.512 1.00 0.00 O ATOM 841 CG2 THR A 60 9.354 8.815 -12.756 1.00 0.00 C ATOM 0 H THR A 60 8.258 8.680 -9.393 1.00 0.00 H new ATOM 0 HA THR A 60 9.730 10.655 -11.001 1.00 0.00 H new ATOM 0 HB THR A 60 7.688 10.140 -12.585 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.977 7.924 -12.290 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.940 8.277 -13.609 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.020 9.601 -13.112 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.913 8.123 -12.127 1.00 0.00 H new ATOM 849 N GLY A 61 6.601 10.901 -9.908 1.00 0.00 N ATOM 850 CA GLY A 61 5.589 11.864 -9.518 1.00 0.00 C ATOM 851 C GLY A 61 4.254 11.211 -9.217 1.00 0.00 C ATOM 852 O GLY A 61 3.207 11.705 -9.634 1.00 0.00 O ATOM 0 H GLY A 61 6.323 9.924 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.930 12.409 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.461 12.595 -10.316 1.00 0.00 H new ATOM 856 N ASP A 62 4.292 10.099 -8.492 1.00 0.00 N ATOM 857 CA ASP A 62 3.075 9.378 -8.136 1.00 0.00 C ATOM 858 C ASP A 62 2.515 9.879 -6.808 1.00 0.00 C ATOM 859 O ASP A 62 1.347 10.263 -6.720 1.00 0.00 O ATOM 860 CB ASP A 62 3.353 7.876 -8.051 1.00 0.00 C ATOM 861 CG ASP A 62 3.358 7.211 -9.413 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.807 6.049 -9.505 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.912 7.851 -10.388 1.00 0.00 O ATOM 0 H ASP A 62 5.151 9.677 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 62 2.334 9.560 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.316 7.714 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.598 7.405 -7.422 1.00 0.00 H new ATOM 867 N LEU A 63 3.353 9.872 -5.778 1.00 0.00 N ATOM 868 CA LEU A 63 2.941 10.326 -4.454 1.00 0.00 C ATOM 869 C LEU A 63 3.318 11.787 -4.237 1.00 0.00 C ATOM 870 O LEU A 63 3.349 12.270 -3.105 1.00 0.00 O ATOM 871 CB LEU A 63 3.585 9.455 -3.372 1.00 0.00 C ATOM 872 CG LEU A 63 3.296 7.956 -3.457 1.00 0.00 C ATOM 873 CD1 LEU A 63 2.987 7.552 -4.890 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.473 7.155 -2.917 1.00 0.00 C ATOM 0 H LEU A 63 4.322 9.557 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 63 1.857 10.237 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.665 9.599 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.252 9.814 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 63 2.422 7.739 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.784 6.482 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.114 8.101 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.842 7.784 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.250 6.090 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.364 7.377 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.648 7.423 -1.875 1.00 0.00 H new ATOM 885 N ASP A 64 3.601 12.488 -5.329 1.00 0.00 N ATOM 886 CA ASP A 64 3.973 13.896 -5.260 1.00 0.00 C ATOM 887 C ASP A 64 2.875 14.715 -4.586 1.00 0.00 C ATOM 888 O ASP A 64 3.117 15.828 -4.120 1.00 0.00 O ATOM 889 CB ASP A 64 4.246 14.444 -6.662 1.00 0.00 C ATOM 890 CG ASP A 64 2.972 14.770 -7.415 1.00 0.00 C ATOM 891 OD1 ASP A 64 2.854 15.907 -7.918 1.00 0.00 O ATOM 892 OD2 ASP A 64 2.092 13.889 -7.502 1.00 0.00 O ATOM 0 H ASP A 64 3.580 12.104 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 64 4.882 13.977 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.859 15.342 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.822 13.713 -7.229 1.00 0.00 H new ATOM 896 N GLN A 65 1.671 14.156 -4.540 1.00 0.00 N ATOM 897 CA GLN A 65 0.537 14.835 -3.925 1.00 0.00 C ATOM 898 C GLN A 65 0.890 15.323 -2.525 1.00 0.00 C ATOM 899 O GLN A 65 0.395 16.356 -2.074 1.00 0.00 O ATOM 900 CB GLN A 65 -0.672 13.900 -3.863 1.00 0.00 C ATOM 901 CG GLN A 65 -0.704 13.029 -2.617 1.00 0.00 C ATOM 902 CD GLN A 65 -1.964 12.190 -2.524 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.286 11.430 -3.438 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.684 12.324 -1.417 1.00 0.00 N ATOM 0 H GLN A 65 1.455 13.235 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 65 0.287 15.700 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.584 14.496 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.671 13.259 -4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.166 12.373 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.628 13.663 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.379 12.966 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.542 11.785 -1.298 1.00 0.00 H new ATOM 911 N ASP A 66 1.747 14.574 -1.841 1.00 0.00 N ATOM 912 CA ASP A 66 2.167 14.931 -0.491 1.00 0.00 C ATOM 913 C ASP A 66 3.309 14.035 -0.021 1.00 0.00 C ATOM 914 O ASP A 66 4.166 14.458 0.752 1.00 0.00 O ATOM 915 CB ASP A 66 0.988 14.825 0.477 1.00 0.00 C ATOM 916 CG ASP A 66 0.650 16.152 1.128 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.493 17.150 0.393 1.00 0.00 O ATOM 918 OD2 ASP A 66 0.544 16.193 2.372 1.00 0.00 O ATOM 0 H ASP A 66 2.165 13.715 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 66 2.522 15.961 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.114 14.454 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.222 14.094 1.251 1.00 0.00 H new ATOM 922 N GLY A 67 3.312 12.792 -0.494 1.00 0.00 N ATOM 923 CA GLY A 67 4.352 11.856 -0.112 1.00 0.00 C ATOM 924 C GLY A 67 3.815 10.693 0.700 1.00 0.00 C ATOM 925 O GLY A 67 4.541 9.741 0.987 1.00 0.00 O ATOM 0 H GLY A 67 2.612 12.417 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.840 11.474 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.113 12.379 0.467 1.00 0.00 H new ATOM 929 N ARG A 68 2.542 10.771 1.071 1.00 0.00 N ATOM 930 CA ARG A 68 1.909 9.718 1.857 1.00 0.00 C ATOM 931 C ARG A 68 1.437 8.578 0.958 1.00 0.00 C ATOM 932 O ARG A 68 1.773 8.529 -0.225 1.00 0.00 O ATOM 933 CB ARG A 68 0.727 10.282 2.647 1.00 0.00 C ATOM 934 CG ARG A 68 1.014 11.625 3.297 1.00 0.00 C ATOM 935 CD ARG A 68 2.252 11.564 4.178 1.00 0.00 C ATOM 936 NE ARG A 68 2.132 12.428 5.351 1.00 0.00 N ATOM 937 CZ ARG A 68 3.095 12.578 6.254 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.241 11.926 6.120 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.911 13.382 7.293 1.00 0.00 N ATOM 0 H ARG A 68 1.928 11.552 0.840 1.00 0.00 H new ATOM 0 HA ARG A 68 2.649 9.325 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.128 10.386 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.443 9.567 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.152 12.382 2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.156 11.932 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.417 10.536 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.125 11.860 3.597 1.00 0.00 H new ATOM 0 HE ARG A 68 1.262 12.944 5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.385 11.307 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.979 12.043 6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.030 13.885 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.650 13.497 7.986 1.00 0.00 H new ATOM 950 N ILE A 69 0.660 7.665 1.530 1.00 0.00 N ATOM 951 CA ILE A 69 0.143 6.526 0.781 1.00 0.00 C ATOM 952 C ILE A 69 -1.227 6.103 1.301 1.00 0.00 C ATOM 953 O ILE A 69 -1.341 5.527 2.383 1.00 0.00 O ATOM 954 CB ILE A 69 1.101 5.322 0.853 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.470 5.699 0.284 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.517 4.136 0.102 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.517 4.622 0.469 1.00 0.00 C ATOM 0 H ILE A 69 0.375 7.691 2.509 1.00 0.00 H new ATOM 0 HA ILE A 69 0.053 6.846 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 69 1.228 5.038 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.366 5.915 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.814 6.616 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.205 3.293 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.438 3.857 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.364 4.406 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.463 4.957 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.649 4.422 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.194 3.711 -0.034 1.00 0.00 H new ATOM 968 N SER A 70 -2.265 6.391 0.522 1.00 0.00 N ATOM 969 CA SER A 70 -3.627 6.043 0.904 1.00 0.00 C ATOM 970 C SER A 70 -3.923 4.580 0.588 1.00 0.00 C ATOM 971 O SER A 70 -3.298 3.984 -0.289 1.00 0.00 O ATOM 972 CB SER A 70 -4.629 6.945 0.181 1.00 0.00 C ATOM 973 OG SER A 70 -5.207 6.279 -0.929 1.00 0.00 O ATOM 0 H SER A 70 -2.188 6.865 -0.378 1.00 0.00 H new ATOM 0 HA SER A 70 -3.725 6.192 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.413 7.251 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.129 7.853 -0.156 1.00 0.00 H new ATOM 0 HG SER A 70 -5.845 6.876 -1.373 1.00 0.00 H new ATOM 978 N PHE A 71 -4.881 4.007 1.309 1.00 0.00 N ATOM 979 CA PHE A 71 -5.260 2.614 1.107 1.00 0.00 C ATOM 980 C PHE A 71 -5.445 2.309 -0.376 1.00 0.00 C ATOM 981 O PHE A 71 -5.143 1.208 -0.838 1.00 0.00 O ATOM 982 CB PHE A 71 -6.549 2.298 1.869 1.00 0.00 C ATOM 983 CG PHE A 71 -6.827 0.828 1.994 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.128 0.349 1.964 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.788 -0.078 2.141 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.388 -1.003 2.079 1.00 0.00 C ATOM 987 CE2 PHE A 71 -6.042 -1.432 2.255 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.342 -1.895 2.225 1.00 0.00 C ATOM 0 H PHE A 71 -5.409 4.486 2.038 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.456 1.986 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.488 2.734 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.387 2.776 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.949 1.042 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.769 0.278 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.406 -1.362 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.223 -2.127 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.542 -2.953 2.315 1.00 0.00 H new ATOM 997 N ASP A 72 -5.945 3.293 -1.118 1.00 0.00 N ATOM 998 CA ASP A 72 -6.170 3.132 -2.549 1.00 0.00 C ATOM 999 C ASP A 72 -4.882 2.732 -3.261 1.00 0.00 C ATOM 1000 O ASP A 72 -4.838 1.726 -3.968 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.718 4.427 -3.149 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.812 4.369 -4.661 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -6.818 5.446 -5.297 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -6.880 3.250 -5.209 1.00 0.00 O ATOM 0 H ASP A 72 -6.202 4.209 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.902 2.337 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.706 4.627 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.076 5.259 -2.859 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.833 3.527 -3.068 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.545 3.256 -3.694 1.00 0.00 C ATOM 1010 C GLU A 73 -2.029 1.875 -3.301 1.00 0.00 C ATOM 1011 O GLU A 73 -1.568 1.108 -4.148 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.525 4.325 -3.295 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.248 5.341 -4.391 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.132 6.568 -4.285 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.386 7.020 -3.149 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.570 7.076 -5.339 1.00 0.00 O ATOM 0 H GLU A 73 -3.851 4.363 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.683 3.280 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.887 4.848 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.590 3.838 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.203 5.646 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.399 4.872 -5.363 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.109 1.564 -2.012 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.650 0.275 -1.506 1.00 0.00 C ATOM 1023 C PHE A 74 -2.278 -0.873 -2.292 1.00 0.00 C ATOM 1024 O PHE A 74 -1.576 -1.755 -2.789 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.989 0.136 -0.020 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.732 -1.239 0.526 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.588 -1.504 1.262 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.635 -2.267 0.306 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.348 -2.768 1.767 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.401 -3.533 0.810 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.255 -3.783 1.540 1.00 0.00 C ATOM 0 H PHE A 74 -2.487 2.187 -1.298 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.568 0.229 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.403 0.859 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.039 0.388 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.125 -0.713 1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.531 -2.077 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.548 -2.961 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.113 -4.325 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.069 -4.772 1.933 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.601 -0.854 -2.399 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.323 -1.892 -3.125 1.00 0.00 C ATOM 1042 C ILE A 75 -3.834 -1.999 -4.564 1.00 0.00 C ATOM 1043 O ILE A 75 -3.348 -3.046 -4.991 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.841 -1.625 -3.128 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.387 -1.643 -1.699 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.557 -2.655 -3.989 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.345 -3.011 -1.054 1.00 0.00 C ATOM 0 H ILE A 75 -4.196 -0.132 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.128 -2.832 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.021 -0.637 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.812 -0.945 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.417 -1.285 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.628 -2.454 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.184 -2.597 -5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.372 -3.653 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.747 -2.949 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.943 -3.708 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.314 -3.363 -1.013 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.963 -0.907 -5.310 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.531 -0.874 -6.702 1.00 0.00 C ATOM 1060 C LYS A 76 -2.087 -1.347 -6.835 1.00 0.00 C ATOM 1061 O LYS A 76 -1.704 -1.926 -7.852 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.670 0.541 -7.268 1.00 0.00 C ATOM 1063 CG LYS A 76 -4.007 0.573 -8.748 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.409 1.792 -9.430 1.00 0.00 C ATOM 1065 CE LYS A 76 -4.121 3.069 -9.013 1.00 0.00 C ATOM 1066 NZ LYS A 76 -5.273 3.379 -9.903 1.00 0.00 N ATOM 0 H LYS A 76 -4.364 -0.032 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.170 -1.550 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.447 1.070 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.738 1.082 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.634 -0.332 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.090 0.578 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.350 1.867 -9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.475 1.674 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.472 2.970 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.416 3.900 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.731 4.257 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.935 3.499 -10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.959 2.598 -9.868 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.290 -1.099 -5.801 1.00 0.00 N ATOM 1077 CA ILE A 77 0.111 -1.501 -5.802 1.00 0.00 C ATOM 1078 C ILE A 77 0.252 -2.998 -5.549 1.00 0.00 C ATOM 1079 O ILE A 77 1.099 -3.662 -6.148 1.00 0.00 O ATOM 1080 CB ILE A 77 0.918 -0.733 -4.738 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.085 0.730 -5.151 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.274 -1.389 -4.528 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.292 1.668 -3.981 1.00 0.00 C ATOM 0 H ILE A 77 -1.591 -0.621 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 77 0.508 -1.262 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 77 0.372 -0.764 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.935 0.813 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.202 1.045 -5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.833 -0.835 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.133 -2.417 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.829 -1.385 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.403 2.688 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.431 1.614 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.191 1.378 -3.437 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.583 -3.524 -4.660 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.552 -4.944 -4.328 1.00 0.00 C ATOM 1096 C PHE A 78 -0.954 -5.793 -5.532 1.00 0.00 C ATOM 1097 O PHE A 78 -0.383 -6.855 -5.774 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.485 -5.235 -3.151 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.529 -6.686 -2.765 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.735 -7.303 -2.478 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.364 -7.433 -2.690 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.780 -8.639 -2.123 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.403 -8.768 -2.337 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.612 -9.372 -2.052 1.00 0.00 C ATOM 0 H PHE A 78 -1.290 -2.989 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 78 0.469 -5.203 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.165 -4.648 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.492 -4.904 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.651 -6.734 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.585 -6.966 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.727 -9.108 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.512 -9.339 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.644 -10.415 -1.774 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.943 -5.315 -6.281 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.422 -6.029 -7.459 1.00 0.00 C ATOM 1115 C HIS A 79 -1.523 -5.759 -8.662 1.00 0.00 C ATOM 1116 O HIS A 79 -1.314 -6.633 -9.502 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.859 -5.618 -7.781 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.805 -6.775 -7.882 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.614 -7.341 -6.955 1.00 0.00 N flip ATOM 1120 CD2 HIS A 79 -4.998 -7.490 -9.045 1.00 0.00 C flip ATOM 1121 CE1 HIS A 79 -6.274 -8.377 -7.570 1.00 0.00 C flip ATOM 1122 NE2 HIS A 79 -5.884 -8.445 -8.830 1.00 0.00 N flip ATOM 0 H HIS A 79 -2.428 -4.437 -6.093 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.397 -7.097 -7.241 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.214 -4.935 -7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.869 -5.068 -8.722 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.502 -7.299 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.995 -9.030 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.212 -9.121 -9.520 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.991 -4.543 -8.737 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.122 -4.180 -9.839 1.00 0.00 C ATOM 1131 C GLY A 80 -0.873 -3.521 -10.979 1.00 0.00 C ATOM 1132 O GLY A 80 -0.586 -2.381 -11.346 1.00 0.00 O ATOM 0 H GLY A 80 -1.147 -3.803 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.652 -3.503 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.382 -5.073 -10.209 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.839 -4.240 -11.543 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.634 -3.720 -12.649 1.00 0.00 C ATOM 1138 C LEU A 81 -4.120 -3.983 -12.423 1.00 0.00 C ATOM 1139 O LEU A 81 -4.523 -5.110 -12.130 1.00 0.00 O ATOM 1140 CB LEU A 81 -2.187 -4.353 -13.967 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.179 -5.882 -14.009 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -2.665 -6.380 -15.361 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -0.787 -6.417 -13.710 1.00 0.00 C ATOM 0 H LEU A 81 -2.090 -5.185 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.478 -2.642 -12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.841 -3.991 -14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.182 -3.998 -14.195 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.860 -6.251 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.653 -7.470 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.681 -6.027 -15.535 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.010 -6.001 -16.145 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.801 -7.506 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.085 -6.039 -14.453 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.477 -6.089 -12.718 1.00 0.00 H new ATOM 1154 N LYS A 82 -4.929 -2.940 -12.564 1.00 0.00 N ATOM 1155 CA LYS A 82 -6.370 -3.057 -12.379 1.00 0.00 C ATOM 1156 C LYS A 82 -6.983 -3.961 -13.445 1.00 0.00 C ATOM 1157 O LYS A 82 -7.357 -5.100 -13.167 1.00 0.00 O ATOM 1158 CB LYS A 82 -7.026 -1.676 -12.427 1.00 0.00 C ATOM 1159 CG LYS A 82 -6.725 -0.904 -13.699 1.00 0.00 C ATOM 1160 CD LYS A 82 -7.809 -1.105 -14.745 1.00 0.00 C ATOM 1161 CE LYS A 82 -7.973 0.127 -15.622 1.00 0.00 C ATOM 1162 NZ LYS A 82 -8.516 1.284 -14.858 1.00 0.00 N ATOM 0 H LYS A 82 -4.611 -2.002 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.551 -3.503 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.105 -1.792 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.689 -1.093 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.634 0.157 -13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.765 -1.226 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.561 -1.965 -15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.755 -1.330 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.009 0.397 -16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.640 -0.105 -16.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.001 1.933 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.190 0.943 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.736 1.785 -14.387 1.00 0.00 H new TER 1172 LYS A 82