USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 768 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 29 GLN :FLIP amide:sc= -1.97! C(o=-7.7!,f=-3!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.798 F(o=-5.7!,f=-3) USER MOD Set 1.3: A 92 GLN : amide:sc= -0.244 K(o=-3,f=-8!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -119:sc= -0.401 (180deg=0.139) USER MOD Set 2.2: A 52 CYS SG : rot 81:sc= -3.81! USER MOD Set 2.3: A 59 MET CE :methyl -178:sc= -1.82 (180deg=-1.32) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 143:sc= 1.09 (180deg=-0.111) USER MOD Set 3.2: A 50 SER OG : rot 94:sc= 1.98 USER MOD Set 4.1: A 42 THR OG1 : rot 83:sc= 0.83 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 139:sc= 0.944 (180deg=0) USER MOD Set 5.1: A 21 TYR OH : rot 180:sc= 1.12 USER MOD Set 5.2: A 37 LYS NZ :NH3+ -176:sc= 1.23 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.359 (180deg=0.358) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.266 F(o=-1.1,f=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.16) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 1.13 (180deg=0.456) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0314) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.108 (180deg=0.108) USER MOD Single : A 40 MET CE :methyl -174:sc= -1.45 (180deg=-1.62) USER MOD Single : A 41 THR OG1 : rot -42:sc= 0.655 USER MOD Single : A 43 HIS :FLIP no HD1:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.16) USER MOD Single : A 51 TYR OH : rot 9:sc= -3! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 60 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.1!) USER MOD Single : A 61 SER OG : rot 19:sc= -2.67! USER MOD Single : A 69 GLN : amide:sc= -3.56! C(o=-3.6!,f=-3.5!) USER MOD Single : A 74 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 161:sc= -0.978 (180deg=-2.03) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.846 X(o=-0.85,f=-0.97) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.197 -22.118 7.752 1.00 0.00 N ATOM 2 CA MET A 1 0.640 -21.905 6.543 1.00 0.00 C ATOM 3 C MET A 1 1.716 -20.839 6.806 1.00 0.00 C ATOM 4 O MET A 1 2.406 -20.388 5.898 1.00 0.00 O ATOM 5 CB MET A 1 -0.247 -21.497 5.355 1.00 0.00 C ATOM 6 CG MET A 1 0.473 -21.469 4.009 1.00 0.00 C ATOM 7 SD MET A 1 1.156 -23.077 3.550 1.00 0.00 S ATOM 8 CE MET A 1 1.941 -22.679 1.988 1.00 0.00 C ATOM 0 H1 MET A 1 -0.906 -22.854 7.558 1.00 0.00 H new ATOM 0 H2 MET A 1 0.407 -22.419 8.544 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.678 -21.231 8.002 1.00 0.00 H new ATOM 0 HA MET A 1 1.145 -22.840 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.086 -22.189 5.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.663 -20.509 5.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.222 -21.140 3.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.278 -20.735 4.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.409 -23.574 1.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.192 -22.308 1.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.700 -21.913 2.147 1.00 0.00 H new ATOM 18 N SER A 2 1.871 -20.461 8.060 1.00 0.00 N ATOM 19 CA SER A 2 2.862 -19.466 8.455 1.00 0.00 C ATOM 20 C SER A 2 3.628 -20.000 9.642 1.00 0.00 C ATOM 21 O SER A 2 4.417 -19.307 10.282 1.00 0.00 O ATOM 22 CB SER A 2 2.159 -18.173 8.849 1.00 0.00 C ATOM 23 OG SER A 2 1.259 -17.749 7.836 1.00 0.00 O ATOM 0 H SER A 2 1.319 -20.830 8.834 1.00 0.00 H new ATOM 0 HA SER A 2 3.541 -19.266 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.616 -18.321 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.900 -17.394 9.031 1.00 0.00 H new ATOM 0 HG SER A 2 0.820 -16.918 8.115 1.00 0.00 H new ATOM 29 N ASP A 3 3.405 -21.261 9.909 1.00 0.00 N ATOM 30 CA ASP A 3 3.940 -21.931 11.066 1.00 0.00 C ATOM 31 C ASP A 3 5.174 -22.718 10.681 1.00 0.00 C ATOM 32 O ASP A 3 5.695 -23.519 11.456 1.00 0.00 O ATOM 33 CB ASP A 3 2.869 -22.874 11.614 1.00 0.00 C ATOM 34 CG ASP A 3 1.481 -22.256 11.581 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.842 -22.259 10.494 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.022 -21.755 12.626 1.00 0.00 O ATOM 0 H ASP A 3 2.834 -21.863 9.316 1.00 0.00 H new ATOM 0 HA ASP A 3 4.219 -21.201 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.867 -23.795 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.118 -23.146 12.640 1.00 0.00 H new ATOM 41 N GLN A 4 5.650 -22.475 9.476 1.00 0.00 N ATOM 42 CA GLN A 4 6.796 -23.179 8.937 1.00 0.00 C ATOM 43 C GLN A 4 8.095 -22.628 9.507 1.00 0.00 C ATOM 44 O GLN A 4 9.106 -23.327 9.569 1.00 0.00 O ATOM 45 CB GLN A 4 6.790 -23.084 7.410 1.00 0.00 C ATOM 46 CG GLN A 4 6.934 -21.665 6.877 1.00 0.00 C ATOM 47 CD GLN A 4 6.060 -21.388 5.666 1.00 0.00 C ATOM 48 OE1 GLN A 4 4.846 -21.916 5.664 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 6.457 -20.660 4.762 1.00 0.00 N flip ATOM 0 H GLN A 4 5.252 -21.782 8.842 1.00 0.00 H new ATOM 0 HA GLN A 4 6.728 -24.228 9.227 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.603 -23.694 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.860 -23.510 7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.681 -20.959 7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.976 -21.487 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.399 -20.271 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.845 -20.444 3.975 1.00 0.00 H new ATOM 58 N GLU A 5 8.071 -21.377 9.933 1.00 0.00 N ATOM 59 CA GLU A 5 9.248 -20.762 10.501 1.00 0.00 C ATOM 60 C GLU A 5 9.183 -20.827 12.018 1.00 0.00 C ATOM 61 O GLU A 5 8.096 -20.840 12.609 1.00 0.00 O ATOM 62 CB GLU A 5 9.384 -19.302 10.047 1.00 0.00 C ATOM 63 CG GLU A 5 8.342 -18.364 10.642 1.00 0.00 C ATOM 64 CD GLU A 5 8.747 -16.906 10.542 1.00 0.00 C ATOM 65 OE1 GLU A 5 9.914 -16.592 10.853 1.00 0.00 O ATOM 66 OE2 GLU A 5 7.896 -16.060 10.186 1.00 0.00 O ATOM 0 H GLU A 5 7.250 -20.773 9.895 1.00 0.00 H new ATOM 0 HA GLU A 5 10.122 -21.310 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.377 -18.941 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.313 -19.263 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.392 -18.510 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.181 -18.622 11.689 1.00 0.00 H new ATOM 73 N ALA A 6 10.329 -20.889 12.653 1.00 0.00 N ATOM 74 CA ALA A 6 10.383 -20.914 14.093 1.00 0.00 C ATOM 75 C ALA A 6 10.352 -19.507 14.644 1.00 0.00 C ATOM 76 O ALA A 6 11.216 -18.679 14.329 1.00 0.00 O ATOM 77 CB ALA A 6 11.620 -21.636 14.571 1.00 0.00 C ATOM 0 H ALA A 6 11.239 -20.923 12.193 1.00 0.00 H new ATOM 0 HA ALA A 6 9.509 -21.454 14.458 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.639 -21.642 15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.608 -22.662 14.202 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.507 -21.126 14.195 1.00 0.00 H new ATOM 83 N LYS A 7 9.362 -19.226 15.459 1.00 0.00 N ATOM 84 CA LYS A 7 9.217 -17.914 16.059 1.00 0.00 C ATOM 85 C LYS A 7 8.355 -17.991 17.314 1.00 0.00 C ATOM 86 O LYS A 7 7.293 -18.620 17.318 1.00 0.00 O ATOM 87 CB LYS A 7 8.627 -16.916 15.047 1.00 0.00 C ATOM 88 CG LYS A 7 7.181 -17.192 14.644 1.00 0.00 C ATOM 89 CD LYS A 7 6.810 -16.471 13.357 1.00 0.00 C ATOM 90 CE LYS A 7 7.126 -14.984 13.416 1.00 0.00 C ATOM 91 NZ LYS A 7 6.914 -14.332 12.099 1.00 0.00 N ATOM 0 H LYS A 7 8.638 -19.893 15.725 1.00 0.00 H new ATOM 0 HA LYS A 7 10.205 -17.557 16.348 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.686 -15.913 15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.246 -16.921 14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.037 -18.265 14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.513 -16.875 15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.348 -16.922 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.746 -16.607 13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.496 -14.506 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.160 -14.842 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.370 -13.397 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.329 -14.921 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.894 -14.220 11.927 1.00 0.00 H new ATOM 105 N PRO A 8 8.822 -17.396 18.407 1.00 0.00 N ATOM 106 CA PRO A 8 8.088 -17.381 19.661 1.00 0.00 C ATOM 107 C PRO A 8 7.078 -16.235 19.729 1.00 0.00 C ATOM 108 O PRO A 8 6.045 -16.333 20.393 1.00 0.00 O ATOM 109 CB PRO A 8 9.192 -17.181 20.691 1.00 0.00 C ATOM 110 CG PRO A 8 10.228 -16.365 19.988 1.00 0.00 C ATOM 111 CD PRO A 8 10.130 -16.712 18.521 1.00 0.00 C ATOM 0 HA PRO A 8 7.497 -18.285 19.809 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.818 -16.667 21.577 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.600 -18.135 21.024 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.056 -15.300 20.146 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.223 -16.588 20.373 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.171 -15.820 17.895 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.949 -17.360 18.207 1.00 0.00 H new ATOM 119 N SER A 9 7.372 -15.157 19.032 1.00 0.00 N ATOM 120 CA SER A 9 6.536 -13.985 19.038 1.00 0.00 C ATOM 121 C SER A 9 5.631 -13.925 17.805 1.00 0.00 C ATOM 122 O SER A 9 6.108 -13.884 16.665 1.00 0.00 O ATOM 123 CB SER A 9 7.422 -12.745 19.122 1.00 0.00 C ATOM 124 OG SER A 9 8.618 -12.934 18.373 1.00 0.00 O ATOM 0 H SER A 9 8.202 -15.073 18.445 1.00 0.00 H new ATOM 0 HA SER A 9 5.880 -14.028 19.907 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.881 -11.878 18.742 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.667 -12.536 20.163 1.00 0.00 H new ATOM 0 HG SER A 9 9.174 -12.129 18.436 1.00 0.00 H new ATOM 130 N THR A 10 4.321 -14.003 18.045 1.00 0.00 N ATOM 131 CA THR A 10 3.308 -13.849 16.995 1.00 0.00 C ATOM 132 C THR A 10 3.597 -12.637 16.104 1.00 0.00 C ATOM 133 O THR A 10 4.262 -11.683 16.524 1.00 0.00 O ATOM 134 CB THR A 10 1.901 -13.697 17.599 1.00 0.00 C ATOM 135 OG1 THR A 10 1.879 -12.583 18.508 1.00 0.00 O ATOM 136 CG2 THR A 10 1.497 -14.961 18.340 1.00 0.00 C ATOM 0 H THR A 10 3.931 -14.175 18.972 1.00 0.00 H new ATOM 0 HA THR A 10 3.349 -14.754 16.388 1.00 0.00 H new ATOM 0 HB THR A 10 1.194 -13.523 16.788 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.854 -11.746 17.999 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.499 -14.833 18.760 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.495 -15.803 17.648 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.207 -15.154 19.144 1.00 0.00 H new ATOM 144 N GLU A 11 3.096 -12.674 14.874 1.00 0.00 N ATOM 145 CA GLU A 11 3.328 -11.597 13.929 1.00 0.00 C ATOM 146 C GLU A 11 2.770 -10.277 14.440 1.00 0.00 C ATOM 147 O GLU A 11 1.553 -10.052 14.472 1.00 0.00 O ATOM 148 CB GLU A 11 2.749 -11.935 12.565 1.00 0.00 C ATOM 149 CG GLU A 11 3.668 -11.559 11.419 1.00 0.00 C ATOM 150 CD GLU A 11 3.897 -10.072 11.294 1.00 0.00 C ATOM 151 OE1 GLU A 11 2.941 -9.347 10.957 1.00 0.00 O ATOM 152 OE2 GLU A 11 5.041 -9.627 11.520 1.00 0.00 O ATOM 0 H GLU A 11 2.527 -13.439 14.512 1.00 0.00 H new ATOM 0 HA GLU A 11 4.407 -11.482 13.823 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.541 -13.004 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.796 -11.419 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.628 -12.056 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.245 -11.933 10.487 1.00 0.00 H new ATOM 159 N ASP A 12 3.668 -9.407 14.821 1.00 0.00 N ATOM 160 CA ASP A 12 3.334 -8.099 15.375 1.00 0.00 C ATOM 161 C ASP A 12 4.390 -7.093 14.972 1.00 0.00 C ATOM 162 O ASP A 12 5.543 -7.463 14.734 1.00 0.00 O ATOM 163 CB ASP A 12 3.227 -8.159 16.912 1.00 0.00 C ATOM 164 CG ASP A 12 1.897 -8.707 17.402 1.00 0.00 C ATOM 165 OD1 ASP A 12 0.941 -7.911 17.536 1.00 0.00 O ATOM 166 OD2 ASP A 12 1.802 -9.930 17.673 1.00 0.00 O ATOM 0 H ASP A 12 4.671 -9.580 14.759 1.00 0.00 H new ATOM 0 HA ASP A 12 2.366 -7.794 14.979 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.033 -8.780 17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.371 -7.158 17.318 1.00 0.00 H new ATOM 171 N LEU A 13 4.024 -5.821 14.910 1.00 0.00 N ATOM 172 CA LEU A 13 4.948 -4.782 14.469 1.00 0.00 C ATOM 173 C LEU A 13 4.409 -3.390 14.788 1.00 0.00 C ATOM 174 O LEU A 13 3.330 -3.248 15.373 1.00 0.00 O ATOM 175 CB LEU A 13 5.241 -4.931 12.955 1.00 0.00 C ATOM 176 CG LEU A 13 4.020 -5.079 12.022 1.00 0.00 C ATOM 177 CD1 LEU A 13 3.325 -3.743 11.791 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.433 -5.702 10.699 1.00 0.00 C ATOM 0 H LEU A 13 3.095 -5.482 15.159 1.00 0.00 H new ATOM 0 HA LEU A 13 5.883 -4.903 15.015 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.812 -4.061 12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.882 -5.802 12.817 1.00 0.00 H new ATOM 0 HG LEU A 13 3.307 -5.741 12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.471 -3.887 11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.982 -3.342 12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.024 -3.043 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.560 -5.799 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.174 -5.067 10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.862 -6.688 10.879 1.00 0.00 H new ATOM 190 N GLY A 14 5.148 -2.362 14.398 1.00 0.00 N ATOM 191 CA GLY A 14 4.721 -1.001 14.652 1.00 0.00 C ATOM 192 C GLY A 14 5.863 -0.019 14.623 1.00 0.00 C ATOM 193 O GLY A 14 6.300 0.484 15.660 1.00 0.00 O ATOM 0 H GLY A 14 6.039 -2.446 13.908 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.980 -0.712 13.907 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.231 -0.954 15.624 1.00 0.00 H new ATOM 197 N ASP A 15 6.369 0.241 13.441 1.00 0.00 N ATOM 198 CA ASP A 15 7.451 1.198 13.253 1.00 0.00 C ATOM 199 C ASP A 15 6.977 2.321 12.361 1.00 0.00 C ATOM 200 O ASP A 15 7.760 2.935 11.642 1.00 0.00 O ATOM 201 CB ASP A 15 8.658 0.517 12.606 1.00 0.00 C ATOM 202 CG ASP A 15 9.207 -0.617 13.430 1.00 0.00 C ATOM 203 OD1 ASP A 15 10.079 -0.368 14.285 1.00 0.00 O ATOM 204 OD2 ASP A 15 8.767 -1.768 13.225 1.00 0.00 O ATOM 0 H ASP A 15 6.048 -0.200 12.579 1.00 0.00 H new ATOM 0 HA ASP A 15 7.745 1.592 14.226 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.372 0.140 11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.443 1.256 12.447 1.00 0.00 H new ATOM 209 N LYS A 16 5.689 2.593 12.407 1.00 0.00 N ATOM 210 CA LYS A 16 5.099 3.604 11.553 1.00 0.00 C ATOM 211 C LYS A 16 4.899 4.906 12.311 1.00 0.00 C ATOM 212 O LYS A 16 5.045 4.955 13.533 1.00 0.00 O ATOM 213 CB LYS A 16 3.758 3.112 10.980 1.00 0.00 C ATOM 214 CG LYS A 16 3.815 1.717 10.359 1.00 0.00 C ATOM 215 CD LYS A 16 5.012 1.568 9.434 1.00 0.00 C ATOM 216 CE LYS A 16 5.043 0.209 8.759 1.00 0.00 C ATOM 217 NZ LYS A 16 3.920 0.033 7.804 1.00 0.00 N ATOM 0 H LYS A 16 5.029 2.126 13.029 1.00 0.00 H new ATOM 0 HA LYS A 16 5.786 3.789 10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.014 3.113 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.417 3.820 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.869 0.968 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.897 1.528 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.983 2.349 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.930 1.711 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.989 0.089 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.999 -0.573 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.249 -0.505 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.147 -0.485 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.576 0.965 7.497 1.00 0.00 H new ATOM 231 N LYS A 17 4.573 5.969 11.584 1.00 0.00 N ATOM 232 CA LYS A 17 4.335 7.265 12.196 1.00 0.00 C ATOM 233 C LYS A 17 2.916 7.376 12.725 1.00 0.00 C ATOM 234 O LYS A 17 2.213 6.370 12.877 1.00 0.00 O ATOM 235 CB LYS A 17 4.635 8.401 11.224 1.00 0.00 C ATOM 236 CG LYS A 17 5.936 9.113 11.532 1.00 0.00 C ATOM 237 CD LYS A 17 6.081 10.401 10.739 1.00 0.00 C ATOM 238 CE LYS A 17 5.097 11.467 11.216 1.00 0.00 C ATOM 239 NZ LYS A 17 5.265 11.778 12.663 1.00 0.00 N ATOM 0 H LYS A 17 4.468 5.956 10.569 1.00 0.00 H new ATOM 0 HA LYS A 17 5.018 7.353 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.676 8.003 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.817 9.121 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.984 9.336 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.773 8.452 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.100 10.776 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.915 10.199 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.237 12.376 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.078 11.126 11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.064 12.785 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.607 11.198 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.242 11.568 12.952 1.00 0.00 H new ATOM 253 N GLU A 18 2.465 8.599 12.981 1.00 0.00 N ATOM 254 CA GLU A 18 1.191 8.834 13.592 1.00 0.00 C ATOM 255 C GLU A 18 0.801 10.300 13.378 1.00 0.00 C ATOM 256 O GLU A 18 1.548 11.061 12.759 1.00 0.00 O ATOM 257 CB GLU A 18 1.293 8.559 15.101 1.00 0.00 C ATOM 258 CG GLU A 18 2.160 9.574 15.870 1.00 0.00 C ATOM 259 CD GLU A 18 3.639 9.538 15.504 1.00 0.00 C ATOM 260 OE1 GLU A 18 4.390 8.776 16.140 1.00 0.00 O ATOM 261 OE2 GLU A 18 4.052 10.292 14.586 1.00 0.00 O ATOM 0 H GLU A 18 2.986 9.449 12.764 1.00 0.00 H new ATOM 0 HA GLU A 18 0.442 8.178 13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.290 8.558 15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.704 7.560 15.250 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.776 10.577 15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.057 9.386 16.939 1.00 0.00 H new ATOM 268 N GLY A 19 -0.360 10.685 13.902 1.00 0.00 N ATOM 269 CA GLY A 19 -0.813 12.072 13.860 1.00 0.00 C ATOM 270 C GLY A 19 -1.084 12.633 12.465 1.00 0.00 C ATOM 271 O GLY A 19 -0.167 12.782 11.640 1.00 0.00 O ATOM 0 H GLY A 19 -1.009 10.049 14.365 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.726 12.156 14.450 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.062 12.696 14.344 1.00 0.00 H new ATOM 275 N GLU A 20 -2.355 12.951 12.196 1.00 0.00 N ATOM 276 CA GLU A 20 -2.767 13.595 10.944 1.00 0.00 C ATOM 277 C GLU A 20 -2.558 12.671 9.757 1.00 0.00 C ATOM 278 O GLU A 20 -2.187 13.104 8.665 1.00 0.00 O ATOM 279 CB GLU A 20 -2.021 14.931 10.719 1.00 0.00 C ATOM 280 CG GLU A 20 -2.353 16.040 11.722 1.00 0.00 C ATOM 281 CD GLU A 20 -1.747 15.812 13.093 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.513 15.962 13.239 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.500 15.498 14.042 1.00 0.00 O ATOM 0 H GLU A 20 -3.126 12.770 12.839 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.832 13.812 11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.948 14.740 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.248 15.291 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.998 16.993 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.436 16.119 11.820 1.00 0.00 H new ATOM 290 N TYR A 21 -2.807 11.396 9.959 1.00 0.00 N ATOM 291 CA TYR A 21 -2.647 10.428 8.900 1.00 0.00 C ATOM 292 C TYR A 21 -4.000 9.950 8.394 1.00 0.00 C ATOM 293 O TYR A 21 -5.053 10.298 8.943 1.00 0.00 O ATOM 294 CB TYR A 21 -1.795 9.234 9.363 1.00 0.00 C ATOM 295 CG TYR A 21 -2.383 8.451 10.523 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.356 7.482 10.313 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.956 8.678 11.818 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.887 6.766 11.364 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.481 7.964 12.877 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.448 7.009 12.644 1.00 0.00 C ATOM 301 OH TYR A 21 -3.973 6.291 13.696 1.00 0.00 O ATOM 0 H TYR A 21 -3.121 11.007 10.848 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.125 10.919 8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.652 8.558 8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.808 9.598 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.702 7.286 9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.200 9.426 12.005 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.644 6.018 11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.136 8.153 13.883 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.555 6.584 14.533 1.00 0.00 H new ATOM 311 N ILE A 22 -3.973 9.162 7.350 1.00 0.00 N ATOM 312 CA ILE A 22 -5.174 8.616 6.774 1.00 0.00 C ATOM 313 C ILE A 22 -5.094 7.101 6.738 1.00 0.00 C ATOM 314 O ILE A 22 -4.061 6.504 7.045 1.00 0.00 O ATOM 315 CB ILE A 22 -5.442 9.149 5.345 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.364 8.665 4.381 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.524 10.669 5.346 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.565 9.126 2.949 1.00 0.00 C ATOM 0 H ILE A 22 -3.116 8.881 6.875 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.002 8.935 7.408 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.401 8.758 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.393 9.015 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.336 7.576 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.713 11.024 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.335 10.989 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.583 11.084 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.758 8.741 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.520 8.753 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.562 10.215 2.914 1.00 0.00 H new ATOM 330 N LYS A 23 -6.177 6.482 6.387 1.00 0.00 N ATOM 331 CA LYS A 23 -6.238 5.037 6.309 1.00 0.00 C ATOM 332 C LYS A 23 -6.607 4.631 4.910 1.00 0.00 C ATOM 333 O LYS A 23 -7.384 5.307 4.257 1.00 0.00 O ATOM 334 CB LYS A 23 -7.285 4.500 7.274 1.00 0.00 C ATOM 335 CG LYS A 23 -7.049 4.871 8.725 1.00 0.00 C ATOM 336 CD LYS A 23 -8.296 4.636 9.559 1.00 0.00 C ATOM 337 CE LYS A 23 -9.412 5.590 9.161 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.616 5.428 10.007 1.00 0.00 N ATOM 0 H LYS A 23 -7.048 6.953 6.145 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.263 4.627 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.264 4.871 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.316 3.414 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.224 4.281 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.755 5.918 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.632 3.607 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.061 4.768 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.054 6.617 9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.678 5.420 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.349 6.098 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.975 4.456 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.370 5.616 11.000 1.00 0.00 H new ATOM 352 N LEU A 24 -6.034 3.568 4.427 1.00 0.00 N ATOM 353 CA LEU A 24 -6.384 3.066 3.115 1.00 0.00 C ATOM 354 C LEU A 24 -6.550 1.567 3.143 1.00 0.00 C ATOM 355 O LEU A 24 -6.066 0.882 4.058 1.00 0.00 O ATOM 356 CB LEU A 24 -5.365 3.475 2.040 1.00 0.00 C ATOM 357 CG LEU A 24 -5.290 4.966 1.704 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.294 5.662 2.599 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.932 5.173 0.242 1.00 0.00 C ATOM 0 H LEU A 24 -5.321 3.026 4.916 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.336 3.522 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.377 3.148 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.597 2.930 1.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.273 5.404 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.255 6.721 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.599 5.549 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.308 5.219 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.885 6.240 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.963 4.718 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.691 4.709 -0.388 1.00 0.00 H new ATOM 371 N LYS A 25 -7.229 1.046 2.152 1.00 0.00 N ATOM 372 CA LYS A 25 -7.484 -0.365 2.071 1.00 0.00 C ATOM 373 C LYS A 25 -7.116 -0.887 0.701 1.00 0.00 C ATOM 374 O LYS A 25 -7.313 -0.222 -0.309 1.00 0.00 O ATOM 375 CB LYS A 25 -8.952 -0.648 2.397 1.00 0.00 C ATOM 376 CG LYS A 25 -9.328 -2.126 2.443 1.00 0.00 C ATOM 377 CD LYS A 25 -9.903 -2.627 1.122 1.00 0.00 C ATOM 378 CE LYS A 25 -11.140 -1.839 0.694 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.252 -1.942 1.669 1.00 0.00 N ATOM 0 H LYS A 25 -7.619 1.589 1.382 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.865 -0.885 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.188 -0.198 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.576 -0.153 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.446 -2.714 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.058 -2.287 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.141 -2.554 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.161 -3.682 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.871 -0.791 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.479 -2.202 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.087 -1.446 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.485 -2.943 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.965 -1.509 2.570 1.00 0.00 H new ATOM 393 N VAL A 26 -6.568 -2.066 0.671 1.00 0.00 N ATOM 394 CA VAL A 26 -6.151 -2.675 -0.573 1.00 0.00 C ATOM 395 C VAL A 26 -6.990 -3.888 -0.900 1.00 0.00 C ATOM 396 O VAL A 26 -7.390 -4.638 -0.011 1.00 0.00 O ATOM 397 CB VAL A 26 -4.632 -3.048 -0.532 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.353 -4.419 -1.156 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.822 -1.982 -1.239 1.00 0.00 C ATOM 0 H VAL A 26 -6.395 -2.636 1.499 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.301 -1.941 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.337 -3.103 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.285 -4.632 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.903 -5.186 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.671 -4.416 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.765 -2.247 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.146 -1.907 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.971 -1.023 -0.743 1.00 0.00 H new ATOM 409 N ILE A 27 -7.276 -4.069 -2.176 1.00 0.00 N ATOM 410 CA ILE A 27 -7.970 -5.242 -2.629 1.00 0.00 C ATOM 411 C ILE A 27 -6.972 -6.109 -3.342 1.00 0.00 C ATOM 412 O ILE A 27 -6.422 -5.723 -4.378 1.00 0.00 O ATOM 413 CB ILE A 27 -9.145 -4.916 -3.579 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.200 -4.067 -2.858 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.768 -6.210 -4.111 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.861 -4.770 -1.687 1.00 0.00 C ATOM 0 H ILE A 27 -7.033 -3.409 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.403 -5.745 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.763 -4.341 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.732 -3.150 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.968 -3.775 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.595 -5.968 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.015 -6.779 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.138 -6.805 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.594 -4.105 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.360 -5.673 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.105 -5.038 -0.949 1.00 0.00 H new ATOM 428 N GLY A 28 -6.724 -7.271 -2.796 1.00 0.00 N ATOM 429 CA GLY A 28 -5.720 -8.127 -3.329 1.00 0.00 C ATOM 430 C GLY A 28 -6.162 -8.865 -4.556 1.00 0.00 C ATOM 431 O GLY A 28 -7.313 -8.776 -4.989 1.00 0.00 O ATOM 0 H GLY A 28 -7.211 -7.639 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.837 -7.535 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.424 -8.848 -2.567 1.00 0.00 H new ATOM 435 N GLN A 29 -5.256 -9.630 -5.088 1.00 0.00 N ATOM 436 CA GLN A 29 -5.470 -10.403 -6.274 1.00 0.00 C ATOM 437 C GLN A 29 -6.378 -11.562 -5.932 1.00 0.00 C ATOM 438 O GLN A 29 -7.125 -12.074 -6.762 1.00 0.00 O ATOM 439 CB GLN A 29 -4.131 -10.939 -6.823 1.00 0.00 C ATOM 440 CG GLN A 29 -2.838 -10.215 -6.355 1.00 0.00 C ATOM 441 CD GLN A 29 -2.515 -10.386 -4.868 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.782 -9.353 -4.078 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -1.962 -11.395 -4.453 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.320 -9.736 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.926 -9.774 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.049 -11.991 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.169 -10.895 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.997 -10.586 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.934 -9.151 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.772 -12.170 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.691 -11.461 -3.472 1.00 0.00 H new ATOM 452 N ASP A 30 -6.311 -11.963 -4.678 1.00 0.00 N ATOM 453 CA ASP A 30 -7.126 -13.033 -4.152 1.00 0.00 C ATOM 454 C ASP A 30 -8.257 -12.419 -3.341 1.00 0.00 C ATOM 455 O ASP A 30 -8.902 -13.080 -2.534 1.00 0.00 O ATOM 456 CB ASP A 30 -6.266 -13.952 -3.272 1.00 0.00 C ATOM 457 CG ASP A 30 -6.921 -15.290 -2.986 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.892 -16.169 -3.869 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.455 -15.475 -1.870 1.00 0.00 O ATOM 0 H ASP A 30 -5.682 -11.549 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.542 -13.630 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.308 -14.122 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.056 -13.448 -2.328 1.00 0.00 H new ATOM 464 N SER A 31 -8.472 -11.110 -3.556 1.00 0.00 N ATOM 465 CA SER A 31 -9.529 -10.340 -2.888 1.00 0.00 C ATOM 466 C SER A 31 -9.184 -10.073 -1.426 1.00 0.00 C ATOM 467 O SER A 31 -10.033 -9.685 -0.639 1.00 0.00 O ATOM 468 CB SER A 31 -10.886 -11.050 -3.007 1.00 0.00 C ATOM 469 OG SER A 31 -11.196 -11.319 -4.367 1.00 0.00 O ATOM 0 H SER A 31 -7.912 -10.555 -4.203 1.00 0.00 H new ATOM 0 HA SER A 31 -9.603 -9.377 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.865 -11.982 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.666 -10.429 -2.567 1.00 0.00 H new ATOM 0 HG SER A 31 -12.063 -11.773 -4.421 1.00 0.00 H new ATOM 475 N SER A 32 -7.918 -10.259 -1.077 1.00 0.00 N ATOM 476 CA SER A 32 -7.446 -10.028 0.278 1.00 0.00 C ATOM 477 C SER A 32 -7.500 -8.538 0.604 1.00 0.00 C ATOM 478 O SER A 32 -6.758 -7.741 0.032 1.00 0.00 O ATOM 479 CB SER A 32 -6.007 -10.549 0.424 1.00 0.00 C ATOM 480 OG SER A 32 -5.569 -10.515 1.774 1.00 0.00 O ATOM 0 H SER A 32 -7.194 -10.573 -1.723 1.00 0.00 H new ATOM 0 HA SER A 32 -8.090 -10.563 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.951 -11.571 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.338 -9.947 -0.191 1.00 0.00 H new ATOM 0 HG SER A 32 -4.651 -10.855 1.829 1.00 0.00 H new ATOM 486 N GLU A 33 -8.406 -8.156 1.488 1.00 0.00 N ATOM 487 CA GLU A 33 -8.543 -6.770 1.872 1.00 0.00 C ATOM 488 C GLU A 33 -7.600 -6.430 3.004 1.00 0.00 C ATOM 489 O GLU A 33 -7.788 -6.859 4.146 1.00 0.00 O ATOM 490 CB GLU A 33 -9.980 -6.451 2.282 1.00 0.00 C ATOM 491 CG GLU A 33 -11.035 -6.959 1.314 1.00 0.00 C ATOM 492 CD GLU A 33 -11.649 -8.272 1.760 1.00 0.00 C ATOM 493 OE1 GLU A 33 -10.896 -9.213 2.098 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.900 -8.370 1.771 1.00 0.00 O ATOM 0 H GLU A 33 -9.056 -8.791 1.951 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.287 -6.163 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.169 -6.882 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.085 -5.371 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.821 -6.210 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.587 -7.087 0.328 1.00 0.00 H new ATOM 501 N ILE A 34 -6.582 -5.668 2.697 1.00 0.00 N ATOM 502 CA ILE A 34 -5.611 -5.261 3.685 1.00 0.00 C ATOM 503 C ILE A 34 -5.941 -3.856 4.168 1.00 0.00 C ATOM 504 O ILE A 34 -6.361 -3.006 3.380 1.00 0.00 O ATOM 505 CB ILE A 34 -4.182 -5.275 3.090 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.904 -6.613 2.385 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.145 -5.023 4.180 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.916 -7.811 3.313 1.00 0.00 C ATOM 0 H ILE A 34 -6.401 -5.312 1.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.648 -5.962 4.518 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.110 -4.475 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.650 -6.763 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.934 -6.558 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.147 -5.037 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.327 -4.051 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.219 -5.801 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.712 -8.716 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.151 -7.686 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.894 -7.894 3.787 1.00 0.00 H new ATOM 520 N HIS A 35 -5.771 -3.604 5.454 1.00 0.00 N ATOM 521 CA HIS A 35 -6.058 -2.292 6.028 1.00 0.00 C ATOM 522 C HIS A 35 -4.797 -1.723 6.649 1.00 0.00 C ATOM 523 O HIS A 35 -4.130 -2.390 7.440 1.00 0.00 O ATOM 524 CB HIS A 35 -7.147 -2.383 7.102 1.00 0.00 C ATOM 525 CG HIS A 35 -8.532 -2.582 6.576 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.630 -1.954 7.111 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.001 -3.366 5.581 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.713 -2.344 6.478 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.364 -3.205 5.542 1.00 0.00 N ATOM 0 H HIS A 35 -5.434 -4.292 6.127 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.412 -1.642 5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.907 -3.207 7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.127 -1.470 7.697 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.413 -4.002 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.720 -2.015 6.689 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.000 -3.673 4.897 1.00 0.00 H new ATOM 538 N PHE A 36 -4.463 -0.500 6.306 1.00 0.00 N ATOM 539 CA PHE A 36 -3.241 0.122 6.808 1.00 0.00 C ATOM 540 C PHE A 36 -3.410 1.621 6.991 1.00 0.00 C ATOM 541 O PHE A 36 -4.328 2.235 6.442 1.00 0.00 O ATOM 542 CB PHE A 36 -2.073 -0.163 5.855 1.00 0.00 C ATOM 543 CG PHE A 36 -2.499 -0.239 4.428 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.768 0.904 3.710 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.658 -1.464 3.810 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.185 0.822 2.403 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.078 -1.545 2.506 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.341 -0.400 1.804 1.00 0.00 C ATOM 0 H PHE A 36 -5.014 0.090 5.683 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.025 -0.311 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.321 0.619 5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.599 -1.103 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.651 1.871 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.449 -2.370 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.390 1.724 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.201 -2.509 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.672 -0.460 0.778 1.00 0.00 H new ATOM 558 N LYS A 37 -2.513 2.210 7.760 1.00 0.00 N ATOM 559 CA LYS A 37 -2.539 3.632 8.015 1.00 0.00 C ATOM 560 C LYS A 37 -1.262 4.299 7.507 1.00 0.00 C ATOM 561 O LYS A 37 -0.144 3.864 7.815 1.00 0.00 O ATOM 562 CB LYS A 37 -2.735 3.910 9.514 1.00 0.00 C ATOM 563 CG LYS A 37 -1.672 3.284 10.414 1.00 0.00 C ATOM 564 CD LYS A 37 -1.858 3.686 11.872 1.00 0.00 C ATOM 565 CE LYS A 37 -3.152 3.130 12.450 1.00 0.00 C ATOM 566 NZ LYS A 37 -3.395 3.610 13.834 1.00 0.00 N ATOM 0 H LYS A 37 -1.750 1.715 8.222 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.383 4.058 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.740 4.988 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.714 3.538 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.716 2.198 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.682 3.591 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.013 3.326 12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.862 4.773 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.988 3.421 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.112 2.041 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.250 3.155 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.579 3.370 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.527 4.642 13.826 1.00 0.00 H new ATOM 580 N VAL A 38 -1.426 5.337 6.707 1.00 0.00 N ATOM 581 CA VAL A 38 -0.306 6.105 6.172 1.00 0.00 C ATOM 582 C VAL A 38 -0.688 7.576 6.142 1.00 0.00 C ATOM 583 O VAL A 38 -1.855 7.915 6.222 1.00 0.00 O ATOM 584 CB VAL A 38 0.104 5.658 4.732 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.557 4.203 4.705 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.034 5.881 3.751 1.00 0.00 C ATOM 0 H VAL A 38 -2.340 5.675 6.407 1.00 0.00 H new ATOM 0 HA VAL A 38 0.550 5.929 6.823 1.00 0.00 H new ATOM 0 HB VAL A 38 0.949 6.275 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.834 3.927 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.417 4.078 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.256 3.562 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.724 5.562 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.903 5.302 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.293 6.940 3.729 1.00 0.00 H new ATOM 596 N LYS A 39 0.273 8.453 6.035 1.00 0.00 N ATOM 597 CA LYS A 39 -0.030 9.864 6.014 1.00 0.00 C ATOM 598 C LYS A 39 -0.151 10.368 4.576 1.00 0.00 C ATOM 599 O LYS A 39 0.241 9.682 3.640 1.00 0.00 O ATOM 600 CB LYS A 39 1.017 10.642 6.798 1.00 0.00 C ATOM 601 CG LYS A 39 0.644 12.082 7.010 1.00 0.00 C ATOM 602 CD LYS A 39 1.407 12.697 8.142 1.00 0.00 C ATOM 603 CE LYS A 39 0.985 14.125 8.337 1.00 0.00 C ATOM 604 NZ LYS A 39 1.463 14.673 9.626 1.00 0.00 N ATOM 0 H LYS A 39 1.264 8.222 5.961 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.993 10.025 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.166 10.165 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.969 10.593 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.835 12.644 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.425 12.154 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.234 12.131 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.476 12.651 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.372 14.732 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.102 14.191 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.150 15.660 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.073 14.110 10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.502 14.635 9.656 1.00 0.00 H new ATOM 618 N MET A 40 -0.690 11.567 4.390 1.00 0.00 N ATOM 619 CA MET A 40 -0.896 12.105 3.054 1.00 0.00 C ATOM 620 C MET A 40 0.405 12.600 2.433 1.00 0.00 C ATOM 621 O MET A 40 0.618 12.479 1.229 1.00 0.00 O ATOM 622 CB MET A 40 -1.927 13.237 3.075 1.00 0.00 C ATOM 623 CG MET A 40 -3.353 12.776 3.306 1.00 0.00 C ATOM 624 SD MET A 40 -4.417 13.062 1.876 1.00 0.00 S ATOM 625 CE MET A 40 -3.591 12.075 0.637 1.00 0.00 C ATOM 0 H MET A 40 -0.991 12.182 5.146 1.00 0.00 H new ATOM 0 HA MET A 40 -1.274 11.289 2.438 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.655 13.946 3.857 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.880 13.774 2.128 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.352 11.713 3.547 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.764 13.298 4.170 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.067 12.233 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.543 12.368 0.578 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.658 11.021 0.907 1.00 0.00 H new ATOM 635 N THR A 41 1.280 13.148 3.256 1.00 0.00 N ATOM 636 CA THR A 41 2.543 13.700 2.782 1.00 0.00 C ATOM 637 C THR A 41 3.662 12.639 2.782 1.00 0.00 C ATOM 638 O THR A 41 4.851 12.967 2.685 1.00 0.00 O ATOM 639 CB THR A 41 2.968 14.923 3.650 1.00 0.00 C ATOM 640 OG1 THR A 41 4.108 15.582 3.074 1.00 0.00 O ATOM 641 CG2 THR A 41 3.302 14.496 5.078 1.00 0.00 C ATOM 0 H THR A 41 1.141 13.224 4.264 1.00 0.00 H new ATOM 0 HA THR A 41 2.389 14.029 1.754 1.00 0.00 H new ATOM 0 HB THR A 41 2.125 15.614 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.752 14.911 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.595 15.370 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.426 14.033 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.123 13.779 5.061 1.00 0.00 H new ATOM 649 N THR A 42 3.290 11.374 2.855 1.00 0.00 N ATOM 650 CA THR A 42 4.272 10.308 2.891 1.00 0.00 C ATOM 651 C THR A 42 4.296 9.567 1.552 1.00 0.00 C ATOM 652 O THR A 42 3.444 9.793 0.692 1.00 0.00 O ATOM 653 CB THR A 42 3.987 9.313 4.055 1.00 0.00 C ATOM 654 OG1 THR A 42 5.187 8.614 4.410 1.00 0.00 O ATOM 655 CG2 THR A 42 2.922 8.300 3.661 1.00 0.00 C ATOM 0 H THR A 42 2.320 11.062 2.890 1.00 0.00 H new ATOM 0 HA THR A 42 5.250 10.757 3.067 1.00 0.00 H new ATOM 0 HB THR A 42 3.627 9.891 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.719 9.167 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.743 7.618 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.997 8.822 3.414 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.262 7.734 2.794 1.00 0.00 H new ATOM 663 N HIS A 43 5.271 8.695 1.368 1.00 0.00 N ATOM 664 CA HIS A 43 5.389 7.942 0.131 1.00 0.00 C ATOM 665 C HIS A 43 4.532 6.684 0.159 1.00 0.00 C ATOM 666 O HIS A 43 4.343 6.057 1.200 1.00 0.00 O ATOM 667 CB HIS A 43 6.847 7.583 -0.163 1.00 0.00 C ATOM 668 CG HIS A 43 7.683 8.740 -0.620 1.00 0.00 C ATOM 669 ND1 HIS A 43 7.346 9.869 -1.278 1.00 0.00 N flip ATOM 670 CD2 HIS A 43 9.044 8.801 -0.439 1.00 0.00 C flip ATOM 671 CE1 HIS A 43 8.496 10.581 -1.480 1.00 0.00 C flip ATOM 672 NE2 HIS A 43 9.505 9.917 -0.965 1.00 0.00 N flip ATOM 0 H HIS A 43 5.993 8.490 2.059 1.00 0.00 H new ATOM 0 HA HIS A 43 5.024 8.584 -0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.294 7.159 0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.872 6.807 -0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.642 8.051 0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.563 11.535 -1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.480 10.215 -0.971 1.00 0.00 H new ATOM 681 N LEU A 44 4.032 6.315 -1.001 1.00 0.00 N ATOM 682 CA LEU A 44 3.176 5.144 -1.168 1.00 0.00 C ATOM 683 C LEU A 44 3.998 3.872 -1.068 1.00 0.00 C ATOM 684 O LEU A 44 3.460 2.773 -0.939 1.00 0.00 O ATOM 685 CB LEU A 44 2.486 5.203 -2.540 1.00 0.00 C ATOM 686 CG LEU A 44 0.955 5.081 -2.558 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.509 3.746 -2.013 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.319 6.206 -1.778 1.00 0.00 C ATOM 0 H LEU A 44 4.206 6.821 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 44 2.424 5.141 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.756 6.147 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.896 4.406 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 44 0.628 5.151 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.579 3.688 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.929 2.946 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.855 3.639 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.765 6.099 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.662 6.171 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.601 7.161 -2.222 1.00 0.00 H new ATOM 700 N LYS A 45 5.313 4.026 -1.130 1.00 0.00 N ATOM 701 CA LYS A 45 6.231 2.906 -1.071 1.00 0.00 C ATOM 702 C LYS A 45 6.021 2.061 0.181 1.00 0.00 C ATOM 703 O LYS A 45 5.987 0.842 0.114 1.00 0.00 O ATOM 704 CB LYS A 45 7.679 3.400 -1.171 1.00 0.00 C ATOM 705 CG LYS A 45 8.119 4.334 -0.048 1.00 0.00 C ATOM 706 CD LYS A 45 8.824 3.574 1.072 1.00 0.00 C ATOM 707 CE LYS A 45 10.113 2.927 0.592 1.00 0.00 C ATOM 708 NZ LYS A 45 10.615 1.920 1.560 1.00 0.00 N ATOM 0 H LYS A 45 5.770 4.933 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 45 6.024 2.260 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.342 2.535 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.807 3.915 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.788 5.096 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.250 4.854 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.044 4.257 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.157 2.807 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.944 2.451 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.871 3.695 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.574 1.624 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.639 2.336 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.984 1.093 1.560 1.00 0.00 H new ATOM 722 N LYS A 46 5.840 2.720 1.317 1.00 0.00 N ATOM 723 CA LYS A 46 5.651 2.036 2.590 1.00 0.00 C ATOM 724 C LYS A 46 4.330 1.316 2.613 1.00 0.00 C ATOM 725 O LYS A 46 4.181 0.300 3.258 1.00 0.00 O ATOM 726 CB LYS A 46 5.746 3.045 3.738 1.00 0.00 C ATOM 727 CG LYS A 46 4.653 4.103 3.715 1.00 0.00 C ATOM 728 CD LYS A 46 5.137 5.427 4.276 1.00 0.00 C ATOM 729 CE LYS A 46 5.606 5.302 5.710 1.00 0.00 C ATOM 730 NZ LYS A 46 6.185 6.578 6.211 1.00 0.00 N ATOM 0 H LYS A 46 5.820 3.738 1.383 1.00 0.00 H new ATOM 0 HA LYS A 46 6.437 1.291 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.700 2.509 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.717 3.538 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.308 4.247 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.798 3.754 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.953 5.804 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.332 6.159 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.768 5.009 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.352 4.511 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.871 6.741 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.223 6.522 6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.866 7.364 5.609 1.00 0.00 H new ATOM 744 N LEU A 47 3.380 1.837 1.886 1.00 0.00 N ATOM 745 CA LEU A 47 2.067 1.259 1.814 1.00 0.00 C ATOM 746 C LEU A 47 2.100 -0.019 0.980 1.00 0.00 C ATOM 747 O LEU A 47 1.604 -1.068 1.401 1.00 0.00 O ATOM 748 CB LEU A 47 1.113 2.285 1.199 1.00 0.00 C ATOM 749 CG LEU A 47 -0.379 1.939 1.187 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.205 3.212 1.069 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.717 0.994 0.033 1.00 0.00 C ATOM 0 H LEU A 47 3.496 2.680 1.323 1.00 0.00 H new ATOM 0 HA LEU A 47 1.720 0.997 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.237 3.225 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.426 2.462 0.170 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.618 1.434 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.265 2.958 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.994 3.863 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.948 3.728 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.783 0.766 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.463 1.470 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.147 0.071 0.139 1.00 0.00 H new ATOM 763 N LYS A 48 2.709 0.066 -0.196 1.00 0.00 N ATOM 764 CA LYS A 48 2.765 -1.064 -1.110 1.00 0.00 C ATOM 765 C LYS A 48 3.550 -2.231 -0.518 1.00 0.00 C ATOM 766 O LYS A 48 3.138 -3.386 -0.626 1.00 0.00 O ATOM 767 CB LYS A 48 3.288 -0.644 -2.503 1.00 0.00 C ATOM 768 CG LYS A 48 4.517 0.249 -2.480 1.00 0.00 C ATOM 769 CD LYS A 48 4.680 1.030 -3.785 1.00 0.00 C ATOM 770 CE LYS A 48 5.086 0.142 -4.943 1.00 0.00 C ATOM 771 NZ LYS A 48 6.433 -0.446 -4.751 1.00 0.00 N ATOM 0 H LYS A 48 3.171 0.908 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 48 1.745 -1.420 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.520 -1.543 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.490 -0.126 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.443 0.947 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.405 -0.360 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.742 1.530 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.430 1.809 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.355 -0.658 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.073 0.722 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.061 -0.132 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.820 -0.135 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.364 -1.484 -4.763 1.00 0.00 H new ATOM 785 N GLU A 49 4.660 -1.939 0.134 1.00 0.00 N ATOM 786 CA GLU A 49 5.444 -2.983 0.791 1.00 0.00 C ATOM 787 C GLU A 49 4.693 -3.529 2.008 1.00 0.00 C ATOM 788 O GLU A 49 4.759 -4.721 2.312 1.00 0.00 O ATOM 789 CB GLU A 49 6.831 -2.462 1.209 1.00 0.00 C ATOM 790 CG GLU A 49 6.790 -1.178 2.017 1.00 0.00 C ATOM 791 CD GLU A 49 8.138 -0.771 2.579 1.00 0.00 C ATOM 792 OE1 GLU A 49 9.037 -0.406 1.788 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.299 -0.784 3.815 1.00 0.00 O ATOM 0 H GLU A 49 5.042 -0.998 0.226 1.00 0.00 H new ATOM 0 HA GLU A 49 5.590 -3.791 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.336 -3.231 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.431 -2.297 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.411 -0.374 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.084 -1.298 2.839 1.00 0.00 H new ATOM 800 N SER A 50 3.944 -2.658 2.677 1.00 0.00 N ATOM 801 CA SER A 50 3.207 -3.036 3.873 1.00 0.00 C ATOM 802 C SER A 50 2.064 -4.007 3.574 1.00 0.00 C ATOM 803 O SER A 50 1.852 -4.982 4.303 1.00 0.00 O ATOM 804 CB SER A 50 2.693 -1.793 4.602 1.00 0.00 C ATOM 805 OG SER A 50 3.713 -1.214 5.395 1.00 0.00 O ATOM 0 H SER A 50 3.833 -1.681 2.407 1.00 0.00 H new ATOM 0 HA SER A 50 3.903 -3.563 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.333 -1.064 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.845 -2.061 5.232 1.00 0.00 H new ATOM 0 HG SER A 50 4.163 -0.508 4.885 1.00 0.00 H new ATOM 811 N TYR A 51 1.332 -3.778 2.500 1.00 0.00 N ATOM 812 CA TYR A 51 0.230 -4.659 2.191 1.00 0.00 C ATOM 813 C TYR A 51 0.749 -5.963 1.591 1.00 0.00 C ATOM 814 O TYR A 51 0.171 -7.029 1.805 1.00 0.00 O ATOM 815 CB TYR A 51 -0.823 -3.982 1.288 1.00 0.00 C ATOM 816 CG TYR A 51 -0.562 -4.063 -0.198 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.917 -5.192 -0.916 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.017 -3.012 -0.880 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.699 -5.276 -2.268 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.243 -3.086 -2.244 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.119 -4.222 -2.928 1.00 0.00 C ATOM 822 OH TYR A 51 0.102 -4.303 -4.277 1.00 0.00 O ATOM 0 H TYR A 51 1.477 -3.010 1.845 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.283 -4.896 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.794 -4.433 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.894 -2.931 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.375 -6.024 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.298 -2.119 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.982 -6.166 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.700 -2.258 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.335 -5.105 -4.633 1.00 0.00 H new ATOM 832 N CYS A 52 1.863 -5.887 0.851 1.00 0.00 N ATOM 833 CA CYS A 52 2.458 -7.075 0.252 1.00 0.00 C ATOM 834 C CYS A 52 2.894 -8.049 1.321 1.00 0.00 C ATOM 835 O CYS A 52 2.626 -9.255 1.232 1.00 0.00 O ATOM 836 CB CYS A 52 3.649 -6.711 -0.626 1.00 0.00 C ATOM 837 SG CYS A 52 3.216 -5.831 -2.140 1.00 0.00 S ATOM 0 H CYS A 52 2.363 -5.019 0.657 1.00 0.00 H new ATOM 0 HA CYS A 52 1.697 -7.545 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.338 -6.096 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.183 -7.624 -0.891 1.00 0.00 H new ATOM 0 HG CYS A 52 3.029 -4.573 -1.872 1.00 0.00 H new ATOM 843 N GLN A 53 3.548 -7.534 2.358 1.00 0.00 N ATOM 844 CA GLN A 53 4.017 -8.381 3.438 1.00 0.00 C ATOM 845 C GLN A 53 2.835 -8.972 4.192 1.00 0.00 C ATOM 846 O GLN A 53 2.896 -10.102 4.665 1.00 0.00 O ATOM 847 CB GLN A 53 4.950 -7.626 4.402 1.00 0.00 C ATOM 848 CG GLN A 53 4.305 -6.437 5.085 1.00 0.00 C ATOM 849 CD GLN A 53 5.158 -5.840 6.184 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.383 -5.905 6.149 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.510 -5.248 7.168 1.00 0.00 N ATOM 0 H GLN A 53 3.761 -6.543 2.469 1.00 0.00 H new ATOM 0 HA GLN A 53 4.599 -9.189 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.306 -8.320 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.825 -7.283 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.095 -5.669 4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.347 -6.744 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.491 -5.215 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.028 -4.823 7.937 1.00 0.00 H new ATOM 860 N ARG A 54 1.744 -8.200 4.311 1.00 0.00 N ATOM 861 CA ARG A 54 0.533 -8.684 4.972 1.00 0.00 C ATOM 862 C ARG A 54 -0.013 -9.918 4.286 1.00 0.00 C ATOM 863 O ARG A 54 -0.472 -10.852 4.936 1.00 0.00 O ATOM 864 CB ARG A 54 -0.534 -7.587 5.006 1.00 0.00 C ATOM 865 CG ARG A 54 -0.284 -6.514 6.052 1.00 0.00 C ATOM 866 CD ARG A 54 -0.812 -6.928 7.421 1.00 0.00 C ATOM 867 NE ARG A 54 -0.276 -8.217 7.870 1.00 0.00 N ATOM 868 CZ ARG A 54 0.724 -8.367 8.744 1.00 0.00 C ATOM 869 NH1 ARG A 54 1.354 -7.308 9.244 1.00 0.00 N ATOM 870 NH2 ARG A 54 1.095 -9.581 9.115 1.00 0.00 N ATOM 0 H ARG A 54 1.680 -7.245 3.959 1.00 0.00 H new ATOM 0 HA ARG A 54 0.799 -8.953 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.589 -7.117 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.505 -8.045 5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.785 -6.314 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.763 -5.585 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.558 -6.160 8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.900 -6.985 7.384 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.698 -9.063 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.075 -6.368 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.116 -7.435 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.618 -10.399 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.858 -9.700 9.782 1.00 0.00 H new ATOM 884 N GLN A 55 0.037 -9.930 2.968 1.00 0.00 N ATOM 885 CA GLN A 55 -0.445 -11.066 2.203 1.00 0.00 C ATOM 886 C GLN A 55 0.563 -12.202 2.235 1.00 0.00 C ATOM 887 O GLN A 55 0.223 -13.360 2.003 1.00 0.00 O ATOM 888 CB GLN A 55 -0.703 -10.659 0.766 1.00 0.00 C ATOM 889 CG GLN A 55 -1.874 -9.715 0.598 1.00 0.00 C ATOM 890 CD GLN A 55 -1.682 -8.762 -0.558 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.454 -8.323 -0.751 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.631 -8.399 -1.251 1.00 0.00 N flip ATOM 0 H GLN A 55 0.407 -9.165 2.403 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.376 -11.408 2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.194 -10.185 0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.882 -11.555 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.784 -10.294 0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.013 -9.145 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.566 -8.764 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.483 -7.733 -2.009 1.00 0.00 H new ATOM 901 N GLY A 56 1.809 -11.873 2.525 1.00 0.00 N ATOM 902 CA GLY A 56 2.844 -12.877 2.598 1.00 0.00 C ATOM 903 C GLY A 56 3.403 -13.222 1.236 1.00 0.00 C ATOM 904 O GLY A 56 3.836 -14.353 0.997 1.00 0.00 O ATOM 0 H GLY A 56 2.124 -10.921 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.650 -12.520 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.442 -13.777 3.063 1.00 0.00 H new ATOM 908 N VAL A 57 3.408 -12.253 0.331 1.00 0.00 N ATOM 909 CA VAL A 57 3.903 -12.476 -1.019 1.00 0.00 C ATOM 910 C VAL A 57 4.833 -11.347 -1.448 1.00 0.00 C ATOM 911 O VAL A 57 4.679 -10.204 -1.010 1.00 0.00 O ATOM 912 CB VAL A 57 2.744 -12.603 -2.053 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.860 -13.801 -1.736 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.915 -11.324 -2.105 1.00 0.00 C ATOM 0 H VAL A 57 3.075 -11.305 0.508 1.00 0.00 H new ATOM 0 HA VAL A 57 4.452 -13.417 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 57 3.190 -12.759 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.059 -13.867 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.457 -14.712 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.430 -13.683 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.113 -11.440 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.486 -11.128 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.552 -10.489 -2.396 1.00 0.00 H new ATOM 924 N PRO A 58 5.832 -11.661 -2.289 1.00 0.00 N ATOM 925 CA PRO A 58 6.755 -10.662 -2.822 1.00 0.00 C ATOM 926 C PRO A 58 6.033 -9.617 -3.676 1.00 0.00 C ATOM 927 O PRO A 58 4.991 -9.890 -4.282 1.00 0.00 O ATOM 928 CB PRO A 58 7.733 -11.477 -3.676 1.00 0.00 C ATOM 929 CG PRO A 58 7.048 -12.771 -3.933 1.00 0.00 C ATOM 930 CD PRO A 58 6.152 -13.015 -2.758 1.00 0.00 C ATOM 0 HA PRO A 58 7.247 -10.099 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.963 -10.962 -4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.678 -11.629 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.473 -12.729 -4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.772 -13.578 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.255 -13.564 -3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.652 -13.600 -1.986 1.00 0.00 H new ATOM 938 N MET A 59 6.607 -8.427 -3.749 1.00 0.00 N ATOM 939 CA MET A 59 6.000 -7.302 -4.461 1.00 0.00 C ATOM 940 C MET A 59 6.074 -7.491 -5.974 1.00 0.00 C ATOM 941 O MET A 59 5.476 -6.738 -6.738 1.00 0.00 O ATOM 942 CB MET A 59 6.687 -5.996 -4.056 1.00 0.00 C ATOM 943 CG MET A 59 6.731 -5.777 -2.553 1.00 0.00 C ATOM 944 SD MET A 59 7.495 -4.213 -2.083 1.00 0.00 S ATOM 945 CE MET A 59 6.310 -3.053 -2.744 1.00 0.00 C ATOM 0 H MET A 59 7.506 -8.209 -3.319 1.00 0.00 H new ATOM 0 HA MET A 59 4.947 -7.257 -4.184 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.705 -5.994 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.165 -5.160 -4.522 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.716 -5.811 -2.158 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.281 -6.596 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.658 -2.036 -2.566 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.200 -3.216 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.347 -3.198 -2.254 1.00 0.00 H new ATOM 955 N ASN A 60 6.804 -8.502 -6.401 1.00 0.00 N ATOM 956 CA ASN A 60 6.956 -8.807 -7.819 1.00 0.00 C ATOM 957 C ASN A 60 5.894 -9.800 -8.269 1.00 0.00 C ATOM 958 O ASN A 60 5.755 -10.091 -9.453 1.00 0.00 O ATOM 959 CB ASN A 60 8.354 -9.374 -8.099 1.00 0.00 C ATOM 960 CG ASN A 60 8.738 -10.476 -7.127 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.358 -10.217 -6.097 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.363 -11.701 -7.429 1.00 0.00 N ATOM 0 H ASN A 60 7.309 -9.136 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 60 6.832 -7.882 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.388 -9.763 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.088 -8.570 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.586 -12.472 -6.800 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.850 -11.879 -8.292 1.00 0.00 H new ATOM 969 N SER A 61 5.159 -10.344 -7.319 1.00 0.00 N ATOM 970 CA SER A 61 4.120 -11.307 -7.619 1.00 0.00 C ATOM 971 C SER A 61 2.789 -10.629 -7.927 1.00 0.00 C ATOM 972 O SER A 61 1.890 -11.230 -8.524 1.00 0.00 O ATOM 973 CB SER A 61 3.955 -12.271 -6.452 1.00 0.00 C ATOM 974 OG SER A 61 5.117 -13.061 -6.283 1.00 0.00 O ATOM 0 H SER A 61 5.264 -10.133 -6.327 1.00 0.00 H new ATOM 0 HA SER A 61 4.424 -11.857 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.754 -11.712 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.094 -12.916 -6.626 1.00 0.00 H new ATOM 0 HG SER A 61 5.873 -12.632 -6.735 1.00 0.00 H new ATOM 980 N LEU A 62 2.654 -9.385 -7.538 1.00 0.00 N ATOM 981 CA LEU A 62 1.407 -8.684 -7.729 1.00 0.00 C ATOM 982 C LEU A 62 1.586 -7.307 -8.363 1.00 0.00 C ATOM 983 O LEU A 62 2.697 -6.798 -8.487 1.00 0.00 O ATOM 984 CB LEU A 62 0.636 -8.605 -6.409 1.00 0.00 C ATOM 985 CG LEU A 62 1.463 -8.277 -5.164 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.963 -6.842 -5.193 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.652 -8.541 -3.910 1.00 0.00 C ATOM 0 H LEU A 62 3.389 -8.838 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 62 0.819 -9.261 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.143 -7.850 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.135 -9.560 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 62 2.337 -8.928 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.547 -6.642 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.589 -6.692 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.113 -6.161 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.252 -8.304 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.243 -7.918 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.362 -9.591 -3.878 1.00 0.00 H new ATOM 999 N ARG A 63 0.475 -6.715 -8.753 1.00 0.00 N ATOM 1000 CA ARG A 63 0.462 -5.427 -9.417 1.00 0.00 C ATOM 1001 C ARG A 63 -0.332 -4.418 -8.602 1.00 0.00 C ATOM 1002 O ARG A 63 -1.509 -4.626 -8.318 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.157 -5.563 -10.814 1.00 0.00 C ATOM 1004 CG ARG A 63 0.582 -6.527 -11.721 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.081 -6.648 -13.086 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.084 -7.723 -13.131 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.218 -7.671 -13.837 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.552 -6.561 -14.485 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.023 -8.726 -13.873 1.00 0.00 N ATOM 0 H ARG A 63 -0.452 -7.118 -8.617 1.00 0.00 H new ATOM 0 HA ARG A 63 1.489 -5.075 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.190 -5.895 -10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.182 -4.581 -11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.611 -6.190 -11.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.623 -7.509 -11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.556 -5.701 -13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.682 -6.835 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.902 -8.566 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.942 -5.744 -14.445 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.418 -6.525 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.776 -9.574 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.889 -8.689 -14.411 1.00 0.00 H new ATOM 1023 N PHE A 64 0.314 -3.340 -8.215 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.324 -2.286 -7.439 1.00 0.00 C ATOM 1025 C PHE A 64 -0.614 -1.059 -8.297 1.00 0.00 C ATOM 1026 O PHE A 64 0.301 -0.426 -8.842 1.00 0.00 O ATOM 1027 CB PHE A 64 0.552 -1.905 -6.232 1.00 0.00 C ATOM 1028 CG PHE A 64 2.034 -2.166 -6.434 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.739 -1.526 -7.444 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.714 -3.060 -5.616 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.084 -1.775 -7.638 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.058 -3.310 -5.802 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.745 -2.669 -6.816 1.00 0.00 C ATOM 0 H PHE A 64 1.296 -3.164 -8.427 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.278 -2.669 -7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.407 -0.847 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.212 -2.462 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.229 -0.824 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.183 -3.566 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.618 -1.272 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.573 -4.006 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.796 -2.866 -6.966 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.882 -0.719 -8.430 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.283 0.432 -9.213 1.00 0.00 C ATOM 1045 C LEU A 65 -3.547 1.073 -8.618 1.00 0.00 C ATOM 1046 O LEU A 65 -4.242 0.472 -7.803 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.481 0.045 -10.718 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.759 -0.727 -11.123 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.033 -1.879 -10.190 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.964 0.204 -11.227 1.00 0.00 C ATOM 0 H LEU A 65 -2.656 -1.228 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.485 1.174 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.451 0.964 -11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.622 -0.554 -11.021 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.582 -1.147 -12.113 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.938 -2.397 -10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.192 -2.572 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.167 -1.502 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.845 -0.371 -11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.140 0.681 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.769 0.968 -11.979 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.837 2.287 -9.026 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.018 3.001 -8.582 1.00 0.00 C ATOM 1064 C PHE A 66 -5.541 3.837 -9.718 1.00 0.00 C ATOM 1065 O PHE A 66 -4.762 4.464 -10.415 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.696 3.894 -7.380 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.841 4.768 -6.956 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.940 4.228 -6.323 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.809 6.134 -7.191 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.992 5.028 -5.927 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.857 6.941 -6.801 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.951 6.389 -6.167 1.00 0.00 C ATOM 0 H PHE A 66 -3.257 2.813 -9.680 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.774 2.279 -8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.399 3.265 -6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.841 4.524 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.978 3.165 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.954 6.571 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.846 4.592 -5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.821 8.003 -6.992 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.773 7.018 -5.859 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.866 3.820 -9.922 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.552 4.580 -10.994 1.00 0.00 C ATOM 1084 C GLU A 67 -6.916 4.346 -12.375 1.00 0.00 C ATOM 1085 O GLU A 67 -7.034 5.173 -13.284 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.623 6.092 -10.679 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.301 6.825 -10.791 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.458 8.320 -10.900 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -7.001 8.793 -11.920 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.030 9.032 -9.979 1.00 0.00 O ATOM 0 H GLU A 67 -7.505 3.274 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.571 4.196 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.339 6.557 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.010 6.221 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.689 6.593 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.762 6.458 -11.665 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.287 3.199 -12.547 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.644 2.887 -13.803 1.00 0.00 C ATOM 1099 C GLY A 68 -4.237 3.444 -13.900 1.00 0.00 C ATOM 1100 O GLY A 68 -3.713 3.646 -14.995 1.00 0.00 O ATOM 0 H GLY A 68 -6.209 2.473 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.610 1.805 -13.929 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.244 3.285 -14.621 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.613 3.692 -12.763 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.251 4.207 -12.729 1.00 0.00 C ATOM 1106 C GLN A 69 -1.426 3.351 -11.785 1.00 0.00 C ATOM 1107 O GLN A 69 -1.882 3.004 -10.704 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.235 5.678 -12.246 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.962 5.831 -10.748 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.140 7.238 -10.239 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.220 8.046 -10.278 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.306 7.520 -9.713 1.00 0.00 N ATOM 0 H GLN A 69 -4.029 3.545 -11.843 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.830 4.171 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.474 6.226 -12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.195 6.138 -12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.629 5.168 -10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.943 5.505 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.044 6.816 -9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.476 8.443 -9.314 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.240 2.969 -12.189 1.00 0.00 N ATOM 1122 CA ARG A 70 0.627 2.188 -11.324 1.00 0.00 C ATOM 1123 C ARG A 70 1.056 2.994 -10.105 1.00 0.00 C ATOM 1124 O ARG A 70 1.197 4.226 -10.157 1.00 0.00 O ATOM 1125 CB ARG A 70 1.870 1.730 -12.073 1.00 0.00 C ATOM 1126 CG ARG A 70 2.794 2.870 -12.456 1.00 0.00 C ATOM 1127 CD ARG A 70 4.234 2.428 -12.432 1.00 0.00 C ATOM 1128 NE ARG A 70 5.155 3.554 -12.596 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.485 3.458 -12.532 1.00 0.00 C ATOM 1130 NH1 ARG A 70 7.066 2.270 -12.370 1.00 0.00 N ATOM 1131 NH2 ARG A 70 7.235 4.551 -12.645 1.00 0.00 N ATOM 0 H ARG A 70 0.151 3.182 -13.107 1.00 0.00 H new ATOM 0 HA ARG A 70 0.057 1.318 -10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.418 1.020 -11.454 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.567 1.198 -12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.537 3.232 -13.452 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.654 3.703 -11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.443 1.923 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.404 1.702 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 70 4.753 4.475 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.494 1.429 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.083 2.202 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.794 5.461 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.251 4.479 -12.596 1.00 0.00 H new ATOM 1145 N ILE A 71 1.264 2.318 -9.007 1.00 0.00 N ATOM 1146 CA ILE A 71 1.718 2.974 -7.814 1.00 0.00 C ATOM 1147 C ILE A 71 3.220 2.793 -7.672 1.00 0.00 C ATOM 1148 O ILE A 71 3.709 1.679 -7.510 1.00 0.00 O ATOM 1149 CB ILE A 71 1.027 2.430 -6.551 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.493 2.328 -6.746 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.350 3.317 -5.373 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.149 3.610 -7.222 1.00 0.00 C ATOM 0 H ILE A 71 1.126 1.312 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 71 1.465 4.030 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 71 1.402 1.425 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.703 1.537 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.949 2.029 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.859 2.929 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.428 3.335 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.996 4.329 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.221 3.450 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.974 4.401 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.724 3.902 -8.182 1.00 0.00 H new ATOM 1164 N ALA A 72 3.957 3.881 -7.737 1.00 0.00 N ATOM 1165 CA ALA A 72 5.389 3.821 -7.631 1.00 0.00 C ATOM 1166 C ALA A 72 5.807 4.105 -6.210 1.00 0.00 C ATOM 1167 O ALA A 72 5.014 4.608 -5.408 1.00 0.00 O ATOM 1168 CB ALA A 72 6.034 4.806 -8.587 1.00 0.00 C ATOM 0 H ALA A 72 3.580 4.820 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 72 5.724 2.820 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.118 4.747 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.744 4.564 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.703 5.816 -8.346 1.00 0.00 H new ATOM 1174 N ASP A 73 7.044 3.811 -5.894 1.00 0.00 N ATOM 1175 CA ASP A 73 7.560 4.003 -4.544 1.00 0.00 C ATOM 1176 C ASP A 73 7.680 5.479 -4.213 1.00 0.00 C ATOM 1177 O ASP A 73 7.603 5.887 -3.054 1.00 0.00 O ATOM 1178 CB ASP A 73 8.919 3.318 -4.394 1.00 0.00 C ATOM 1179 CG ASP A 73 8.839 1.832 -4.641 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.254 1.119 -3.804 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.345 1.366 -5.688 1.00 0.00 O ATOM 0 H ASP A 73 7.724 3.434 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 73 6.856 3.552 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.627 3.763 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.306 3.497 -3.391 1.00 0.00 H new ATOM 1186 N ASN A 74 7.827 6.286 -5.236 1.00 0.00 N ATOM 1187 CA ASN A 74 7.996 7.716 -5.063 1.00 0.00 C ATOM 1188 C ASN A 74 6.660 8.412 -5.227 1.00 0.00 C ATOM 1189 O ASN A 74 6.567 9.640 -5.203 1.00 0.00 O ATOM 1190 CB ASN A 74 8.988 8.254 -6.093 1.00 0.00 C ATOM 1191 CG ASN A 74 10.253 7.430 -6.153 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.246 7.739 -5.489 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.226 6.372 -6.948 1.00 0.00 N ATOM 0 H ASN A 74 7.833 5.976 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 74 8.383 7.910 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.517 8.266 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.240 9.286 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.049 5.774 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.383 6.154 -7.479 1.00 0.00 H new ATOM 1200 N HIS A 75 5.612 7.625 -5.391 1.00 0.00 N ATOM 1201 CA HIS A 75 4.275 8.170 -5.534 1.00 0.00 C ATOM 1202 C HIS A 75 3.696 8.441 -4.174 1.00 0.00 C ATOM 1203 O HIS A 75 3.986 7.733 -3.225 1.00 0.00 O ATOM 1204 CB HIS A 75 3.355 7.218 -6.309 1.00 0.00 C ATOM 1205 CG HIS A 75 3.292 7.490 -7.781 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.606 6.683 -8.671 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.820 8.493 -8.522 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.723 7.175 -9.887 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.452 8.272 -9.825 1.00 0.00 N ATOM 0 H HIS A 75 5.661 6.607 -5.428 1.00 0.00 H new ATOM 0 HA HIS A 75 4.347 9.098 -6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.696 6.194 -6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.349 7.285 -5.895 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.419 9.314 -8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.294 6.752 -10.783 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.702 8.862 -10.619 1.00 0.00 H new ATOM 1218 N THR A 76 2.926 9.484 -4.059 1.00 0.00 N ATOM 1219 CA THR A 76 2.290 9.818 -2.797 1.00 0.00 C ATOM 1220 C THR A 76 0.779 9.769 -2.940 1.00 0.00 C ATOM 1221 O THR A 76 0.252 9.934 -4.046 1.00 0.00 O ATOM 1222 CB THR A 76 2.716 11.220 -2.320 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.337 12.197 -3.287 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.210 11.274 -2.123 1.00 0.00 C ATOM 0 H THR A 76 2.716 10.127 -4.822 1.00 0.00 H new ATOM 0 HA THR A 76 2.608 9.084 -2.056 1.00 0.00 H new ATOM 0 HB THR A 76 2.220 11.429 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.609 13.086 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.497 12.270 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.505 10.539 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.710 11.052 -3.066 1.00 0.00 H new ATOM 1232 N PRO A 77 0.048 9.547 -1.836 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.404 9.481 -1.875 1.00 0.00 C ATOM 1234 C PRO A 77 -2.003 10.837 -2.208 1.00 0.00 C ATOM 1235 O PRO A 77 -3.049 10.932 -2.834 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.791 9.043 -0.457 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.641 9.445 0.397 1.00 0.00 C ATOM 1238 CD PRO A 77 0.579 9.347 -0.469 1.00 0.00 C ATOM 0 HA PRO A 77 -1.772 8.799 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.712 9.527 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.962 7.968 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.771 10.460 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.555 8.793 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.317 10.106 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.068 8.378 -0.366 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.319 11.899 -1.806 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.787 13.245 -2.074 1.00 0.00 C ATOM 1248 C LYS A 78 -1.659 13.571 -3.560 1.00 0.00 C ATOM 1249 O LYS A 78 -2.533 14.203 -4.145 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.012 14.266 -1.241 1.00 0.00 C ATOM 1251 CG LYS A 78 0.472 14.239 -1.506 1.00 0.00 C ATOM 1252 CD LYS A 78 1.157 15.496 -1.036 1.00 0.00 C ATOM 1253 CE LYS A 78 2.465 15.678 -1.771 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.144 16.944 -1.405 1.00 0.00 N ATOM 0 H LYS A 78 -0.439 11.851 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.839 13.299 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.395 15.264 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.190 14.073 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.913 13.378 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.646 14.110 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.511 16.357 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.338 15.442 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.123 14.838 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.281 15.664 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.036 17.025 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.528 17.749 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.345 16.948 -0.385 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.573 13.109 -4.182 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.343 13.365 -5.587 1.00 0.00 C ATOM 1270 C GLU A 79 -1.251 12.522 -6.454 1.00 0.00 C ATOM 1271 O GLU A 79 -1.744 12.976 -7.482 1.00 0.00 O ATOM 1272 CB GLU A 79 1.112 13.118 -5.963 1.00 0.00 C ATOM 1273 CG GLU A 79 2.023 14.301 -5.694 1.00 0.00 C ATOM 1274 CD GLU A 79 1.656 15.516 -6.524 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.668 16.200 -6.187 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.355 15.794 -7.518 1.00 0.00 O ATOM 0 H GLU A 79 0.155 12.557 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.573 14.416 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.479 12.255 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.166 12.863 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.975 14.559 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.054 14.018 -5.906 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.489 11.283 -6.040 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.349 10.394 -6.810 1.00 0.00 C ATOM 1285 C LEU A 80 -3.824 10.741 -6.595 1.00 0.00 C ATOM 1286 O LEU A 80 -4.711 10.167 -7.219 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.080 8.918 -6.474 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.609 8.448 -6.567 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.532 6.954 -6.797 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.152 9.187 -7.647 1.00 0.00 C ATOM 0 H LEU A 80 -1.105 10.876 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.113 10.540 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.436 8.728 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.679 8.301 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.138 8.679 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.513 6.649 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.014 6.433 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.039 6.703 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.180 8.827 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.324 9.012 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.148 10.255 -7.429 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.077 11.686 -5.696 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.431 12.150 -5.456 1.00 0.00 C ATOM 1304 C GLY A 81 -6.238 11.210 -4.595 1.00 0.00 C ATOM 1305 O GLY A 81 -7.404 10.950 -4.873 1.00 0.00 O ATOM 0 H GLY A 81 -3.364 12.141 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.393 13.129 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.938 12.282 -6.412 1.00 0.00 H new ATOM 1309 N MET A 82 -5.630 10.700 -3.547 1.00 0.00 N ATOM 1310 CA MET A 82 -6.295 9.790 -2.630 1.00 0.00 C ATOM 1311 C MET A 82 -6.710 10.542 -1.373 1.00 0.00 C ATOM 1312 O MET A 82 -6.251 11.665 -1.130 1.00 0.00 O ATOM 1313 CB MET A 82 -5.339 8.657 -2.248 1.00 0.00 C ATOM 1314 CG MET A 82 -4.863 7.818 -3.421 1.00 0.00 C ATOM 1315 SD MET A 82 -3.548 6.670 -2.958 1.00 0.00 S ATOM 1316 CE MET A 82 -3.187 5.921 -4.539 1.00 0.00 C ATOM 0 H MET A 82 -4.660 10.902 -3.303 1.00 0.00 H new ATOM 0 HA MET A 82 -7.179 9.375 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.471 9.084 -1.746 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.835 8.006 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.704 7.257 -3.828 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.505 8.476 -4.213 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.203 5.454 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.939 5.165 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.199 6.686 -5.315 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.574 9.941 -0.572 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.987 10.547 0.685 1.00 0.00 C ATOM 1328 C GLU A 83 -8.153 9.472 1.755 1.00 0.00 C ATOM 1329 O GLU A 83 -7.773 8.320 1.551 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.283 11.378 0.524 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.578 10.573 0.402 1.00 0.00 C ATOM 1332 CD GLU A 83 -10.682 9.777 -0.878 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -10.743 10.390 -1.963 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -10.735 8.545 -0.804 1.00 0.00 O ATOM 0 H GLU A 83 -8.003 9.036 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.204 11.237 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.372 12.047 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.182 12.005 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.653 9.892 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.426 11.255 0.465 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.706 9.837 2.902 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.889 8.879 3.977 1.00 0.00 C ATOM 1343 C GLU A 84 -9.942 7.841 3.610 1.00 0.00 C ATOM 1344 O GLU A 84 -10.984 8.169 3.028 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.255 9.580 5.292 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.612 10.265 5.281 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.910 10.977 6.579 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.227 10.300 7.576 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.835 12.222 6.611 1.00 0.00 O ATOM 0 H GLU A 84 -9.032 10.781 3.110 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.939 8.364 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.238 8.846 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.489 10.321 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.647 10.982 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.388 9.524 5.090 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.630 6.581 3.906 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.517 5.436 3.686 1.00 0.00 C ATOM 1358 C GLU A 85 -10.504 4.998 2.208 1.00 0.00 C ATOM 1359 O GLU A 85 -11.247 4.100 1.800 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.941 5.740 4.181 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.835 4.523 4.319 1.00 0.00 C ATOM 1362 CD GLU A 85 -14.189 4.878 4.869 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -15.043 5.343 4.087 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -14.403 4.714 6.088 1.00 0.00 O ATOM 0 H GLU A 85 -8.733 6.320 4.315 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.141 4.598 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.877 6.239 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.409 6.442 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.953 4.047 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.357 3.795 4.974 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.647 5.644 1.404 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.507 5.306 -0.023 1.00 0.00 C ATOM 1373 C ASP A 86 -9.055 3.860 -0.200 1.00 0.00 C ATOM 1374 O ASP A 86 -8.489 3.245 0.712 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.511 6.244 -0.711 1.00 0.00 C ATOM 1376 CG ASP A 86 -8.741 6.362 -2.211 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.569 5.595 -2.763 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.128 7.243 -2.836 1.00 0.00 O ATOM 0 H ASP A 86 -9.040 6.403 1.716 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.486 5.428 -0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.582 7.234 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.498 5.883 -0.532 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.292 3.316 -1.365 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.967 1.940 -1.648 1.00 0.00 C ATOM 1385 C VAL A 87 -8.115 1.816 -2.912 1.00 0.00 C ATOM 1386 O VAL A 87 -8.327 2.520 -3.900 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.258 1.090 -1.794 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.170 1.668 -2.864 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.923 -0.360 -2.096 1.00 0.00 C ATOM 0 H VAL A 87 -9.717 3.815 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.386 1.562 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.790 1.122 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.067 1.055 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.450 2.686 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.648 1.678 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.845 -0.934 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.360 -0.417 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.324 -0.772 -1.284 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.157 0.910 -2.882 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.263 0.692 -4.005 1.00 0.00 C ATOM 1401 C ILE A 88 -6.545 -0.677 -4.636 1.00 0.00 C ATOM 1402 O ILE A 88 -7.065 -1.588 -3.972 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.770 0.785 -3.561 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.544 2.048 -2.730 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.833 0.775 -4.760 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.590 1.812 -1.236 1.00 0.00 C ATOM 0 H ILE A 88 -6.976 0.305 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.443 1.473 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.547 -0.091 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.576 2.475 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.300 2.787 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.801 0.841 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.970 -0.149 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.056 1.626 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.421 2.754 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.567 1.414 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.815 1.098 -0.956 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.200 -0.833 -5.904 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.468 -2.060 -6.628 1.00 0.00 C ATOM 1420 C GLU A 89 -5.184 -2.857 -6.806 1.00 0.00 C ATOM 1421 O GLU A 89 -4.130 -2.299 -7.119 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.059 -1.739 -7.994 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.482 -2.960 -8.787 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.804 -3.519 -8.332 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.850 -3.045 -8.827 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.812 -4.438 -7.488 1.00 0.00 O ATOM 0 H GLU A 89 -5.729 -0.116 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.181 -2.654 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.923 -1.088 -7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.325 -1.179 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.547 -2.698 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.716 -3.730 -8.697 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.250 -4.149 -6.570 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.100 -5.004 -6.747 1.00 0.00 C ATOM 1435 C VAL A 90 -4.450 -6.212 -7.616 1.00 0.00 C ATOM 1436 O VAL A 90 -5.478 -6.854 -7.425 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.559 -5.494 -5.384 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.332 -6.371 -5.566 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.240 -4.311 -4.487 1.00 0.00 C ATOM 0 H VAL A 90 -6.092 -4.631 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.329 -4.416 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.333 -6.095 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.973 -6.701 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.592 -7.240 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.549 -5.802 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.860 -4.671 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.486 -3.685 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.145 -3.726 -4.321 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.586 -6.519 -8.565 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.767 -7.668 -9.444 1.00 0.00 C ATOM 1451 C TYR A 91 -2.597 -8.621 -9.258 1.00 0.00 C ATOM 1452 O TYR A 91 -1.654 -8.309 -8.550 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.825 -7.240 -10.910 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.050 -6.456 -11.320 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.105 -5.082 -11.163 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.136 -7.090 -11.909 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.203 -4.362 -11.580 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.243 -6.374 -12.320 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.266 -5.008 -12.154 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.352 -4.279 -12.578 1.00 0.00 O ATOM 0 H TYR A 91 -2.739 -5.982 -8.751 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.708 -8.154 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.943 -6.639 -11.128 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.764 -8.133 -11.532 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.274 -4.566 -10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.115 -8.161 -12.048 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.226 -3.290 -11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.084 -6.882 -12.768 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.021 -4.883 -12.964 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.649 -9.777 -9.881 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.563 -10.742 -9.787 1.00 0.00 C ATOM 1472 C GLN A 92 -0.721 -10.699 -11.066 1.00 0.00 C ATOM 1473 O GLN A 92 -1.238 -10.415 -12.147 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.127 -12.155 -9.597 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.158 -13.137 -8.953 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.074 -12.972 -7.445 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.820 -13.606 -6.704 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.172 -12.122 -6.983 1.00 0.00 N ATOM 0 H GLN A 92 -3.432 -10.078 -10.461 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.940 -10.487 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.026 -12.095 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.430 -12.546 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.470 -14.155 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.167 -13.000 -9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.429 -11.614 -7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.078 -11.975 -5.978 1.00 0.00 H new ATOM 1487 N GLU A 93 0.580 -10.936 -10.948 1.00 0.00 N ATOM 1488 CA GLU A 93 1.449 -10.996 -12.124 1.00 0.00 C ATOM 1489 C GLU A 93 2.462 -12.131 -12.004 1.00 0.00 C ATOM 1490 O GLU A 93 3.504 -12.129 -12.664 1.00 0.00 O ATOM 1491 CB GLU A 93 2.158 -9.662 -12.373 1.00 0.00 C ATOM 1492 CG GLU A 93 3.027 -9.175 -11.228 1.00 0.00 C ATOM 1493 CD GLU A 93 3.845 -7.960 -11.612 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.546 -7.337 -12.654 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.798 -7.626 -10.894 1.00 0.00 O ATOM 0 H GLU A 93 1.056 -11.089 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 93 0.811 -11.198 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.778 -9.758 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.406 -8.902 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.397 -8.932 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.695 -9.977 -10.914 1.00 0.00 H new ATOM 1502 N GLN A 94 2.154 -13.090 -11.134 1.00 0.00 N ATOM 1503 CA GLN A 94 2.981 -14.289 -10.929 1.00 0.00 C ATOM 1504 C GLN A 94 3.183 -15.098 -12.227 1.00 0.00 C ATOM 1505 O GLN A 94 2.868 -14.642 -13.330 1.00 0.00 O ATOM 1506 CB GLN A 94 2.356 -15.169 -9.842 1.00 0.00 C ATOM 1507 CG GLN A 94 2.349 -14.515 -8.477 1.00 0.00 C ATOM 1508 CD GLN A 94 1.538 -15.277 -7.453 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.565 -15.951 -7.790 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.930 -15.174 -6.200 1.00 0.00 N ATOM 0 H GLN A 94 1.321 -13.062 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 94 3.968 -13.955 -10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.332 -15.414 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.905 -16.109 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.375 -14.422 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.950 -13.505 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.743 -14.604 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.421 -15.664 -5.464 1.00 0.00 H new ATOM 1519 N THR A 95 3.661 -16.316 -12.097 1.00 0.00 N ATOM 1520 CA THR A 95 3.982 -17.118 -13.249 1.00 0.00 C ATOM 1521 C THR A 95 3.518 -18.556 -13.041 1.00 0.00 C ATOM 1522 O THR A 95 3.647 -19.115 -11.949 1.00 0.00 O ATOM 1523 CB THR A 95 5.512 -17.072 -13.555 1.00 0.00 C ATOM 1524 OG1 THR A 95 5.818 -17.806 -14.749 1.00 0.00 O ATOM 1525 CG2 THR A 95 6.328 -17.629 -12.391 1.00 0.00 C ATOM 0 H THR A 95 3.835 -16.771 -11.201 1.00 0.00 H new ATOM 0 HA THR A 95 3.456 -16.704 -14.109 1.00 0.00 H new ATOM 0 HB THR A 95 5.780 -16.026 -13.701 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.782 -17.762 -14.922 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.389 -17.583 -12.636 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.136 -17.037 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.042 -18.665 -12.209 1.00 0.00 H new ATOM 1533 N GLY A 96 2.939 -19.143 -14.073 1.00 0.00 N ATOM 1534 CA GLY A 96 2.491 -20.514 -13.994 1.00 0.00 C ATOM 1535 C GLY A 96 3.380 -21.432 -14.795 1.00 0.00 C ATOM 1536 O GLY A 96 2.907 -22.258 -15.571 1.00 0.00 O ATOM 0 H GLY A 96 2.770 -18.690 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.479 -20.835 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.467 -20.585 -14.361 1.00 0.00 H new ATOM 1540 N GLY A 97 4.673 -21.278 -14.625 1.00 0.00 N ATOM 1541 CA GLY A 97 5.621 -22.080 -15.345 1.00 0.00 C ATOM 1542 C GLY A 97 7.025 -21.717 -14.970 1.00 0.00 C ATOM 1543 O GLY A 97 7.924 -21.831 -15.819 1.00 0.00 O ATOM 1544 OXT GLY A 97 7.237 -21.299 -13.813 1.00 0.00 O ATOM 0 H GLY A 97 5.089 -20.598 -13.989 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.445 -23.135 -15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.480 -21.942 -16.417 1.00 0.00 H new TER 1548 GLY A 97