USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 494 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 Single : A 1 GLY N :NH3+ 141:sc= 0.0166 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0995 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=0.000978 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -1:sc= 1.13 USER MOD Single : A 37 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-6.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.627 USER MOD Single : A 42 GLN : amide:sc= -0.0754 K(o=-0.075,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 40:sc= 0.0496 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -164:sc= -1.49! USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= -0.274 (180deg=-1.3!) USER MOD Single : A 52 THR OG1 : rot 92:sc= 1.33 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00341 X(o=-0.0034,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -1.67 (180deg=-1.88) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.186 -4.769 31.920 1.00 0.00 N ATOM 2 CA GLY A 1 -9.455 -3.715 31.241 1.00 0.00 C ATOM 3 C GLY A 1 -10.291 -3.016 30.187 1.00 0.00 C ATOM 4 O GLY A 1 -11.133 -3.638 29.539 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.554 -5.578 32.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.540 -4.414 32.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.988 -5.071 31.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.114 -2.984 31.974 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.565 -4.137 30.774 1.00 0.00 H new ATOM 8 N SER A 2 -10.060 -1.718 30.016 1.00 0.00 N ATOM 9 CA SER A 2 -10.803 -0.932 29.038 1.00 0.00 C ATOM 10 C SER A 2 -9.890 0.075 28.345 1.00 0.00 C ATOM 11 O SER A 2 -9.042 0.701 28.981 1.00 0.00 O ATOM 12 CB SER A 2 -11.965 -0.203 29.714 1.00 0.00 C ATOM 13 OG SER A 2 -12.674 0.599 28.785 1.00 0.00 O ATOM 0 H SER A 2 -9.364 -1.189 30.542 1.00 0.00 H new ATOM 0 HA SER A 2 -11.200 -1.614 28.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.642 -0.930 30.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.585 0.421 30.523 1.00 0.00 H new ATOM 0 HG SER A 2 -13.413 1.053 29.242 1.00 0.00 H new ATOM 19 N SER A 3 -10.071 0.226 27.037 1.00 0.00 N ATOM 20 CA SER A 3 -9.262 1.154 26.255 1.00 0.00 C ATOM 21 C SER A 3 -10.145 2.162 25.525 1.00 0.00 C ATOM 22 O SER A 3 -10.664 1.882 24.445 1.00 0.00 O ATOM 23 CB SER A 3 -8.401 0.389 25.248 1.00 0.00 C ATOM 24 OG SER A 3 -7.449 -0.427 25.907 1.00 0.00 O ATOM 0 H SER A 3 -10.771 -0.282 26.496 1.00 0.00 H new ATOM 0 HA SER A 3 -8.611 1.697 26.940 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.038 -0.229 24.615 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.889 1.094 24.593 1.00 0.00 H new ATOM 0 HG SER A 3 -6.913 -0.907 25.242 1.00 0.00 H new ATOM 30 N GLY A 4 -10.310 3.337 26.123 1.00 0.00 N ATOM 31 CA GLY A 4 -11.129 4.370 25.517 1.00 0.00 C ATOM 32 C GLY A 4 -10.342 5.628 25.206 1.00 0.00 C ATOM 33 O GLY A 4 -10.120 6.462 26.084 1.00 0.00 O ATOM 0 H GLY A 4 -9.891 3.592 27.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.571 3.986 24.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.952 4.617 26.188 1.00 0.00 H new ATOM 37 N SER A 5 -9.917 5.764 23.954 1.00 0.00 N ATOM 38 CA SER A 5 -9.145 6.927 23.532 1.00 0.00 C ATOM 39 C SER A 5 -9.806 7.614 22.340 1.00 0.00 C ATOM 40 O SER A 5 -10.012 8.827 22.345 1.00 0.00 O ATOM 41 CB SER A 5 -7.718 6.513 23.169 1.00 0.00 C ATOM 42 OG SER A 5 -7.713 5.568 22.113 1.00 0.00 O ATOM 0 H SER A 5 -10.094 5.084 23.215 1.00 0.00 H new ATOM 0 HA SER A 5 -9.111 7.632 24.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.144 7.392 22.877 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.226 6.088 24.044 1.00 0.00 H new ATOM 0 HG SER A 5 -6.789 5.321 21.899 1.00 0.00 H new ATOM 48 N SER A 6 -10.136 6.828 21.320 1.00 0.00 N ATOM 49 CA SER A 6 -10.770 7.359 20.120 1.00 0.00 C ATOM 50 C SER A 6 -12.270 7.543 20.333 1.00 0.00 C ATOM 51 O SER A 6 -12.859 6.940 21.229 1.00 0.00 O ATOM 52 CB SER A 6 -10.522 6.428 18.932 1.00 0.00 C ATOM 53 OG SER A 6 -10.664 7.120 17.703 1.00 0.00 O ATOM 0 H SER A 6 -9.975 5.821 21.301 1.00 0.00 H new ATOM 0 HA SER A 6 -10.329 8.333 19.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.520 6.005 19.001 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.223 5.594 18.967 1.00 0.00 H new ATOM 0 HG SER A 6 -10.499 6.503 16.959 1.00 0.00 H new ATOM 59 N GLY A 7 -12.881 8.381 19.501 1.00 0.00 N ATOM 60 CA GLY A 7 -14.307 8.629 19.614 1.00 0.00 C ATOM 61 C GLY A 7 -14.901 9.184 18.335 1.00 0.00 C ATOM 62 O GLY A 7 -15.837 8.611 17.778 1.00 0.00 O ATOM 0 H GLY A 7 -12.415 8.892 18.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.815 7.700 19.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.487 9.330 20.429 1.00 0.00 H new ATOM 66 N MET A 8 -14.359 10.305 17.869 1.00 0.00 N ATOM 67 CA MET A 8 -14.843 10.937 16.648 1.00 0.00 C ATOM 68 C MET A 8 -14.861 9.943 15.491 1.00 0.00 C ATOM 69 O MET A 8 -14.140 8.945 15.487 1.00 0.00 O ATOM 70 CB MET A 8 -13.967 12.139 16.289 1.00 0.00 C ATOM 71 CG MET A 8 -14.443 13.444 16.905 1.00 0.00 C ATOM 72 SD MET A 8 -13.180 14.730 16.871 1.00 0.00 S ATOM 73 CE MET A 8 -13.839 15.818 15.610 1.00 0.00 C ATOM 0 H MET A 8 -13.585 10.794 18.319 1.00 0.00 H new ATOM 0 HA MET A 8 -15.863 11.279 16.825 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.946 11.944 16.616 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.940 12.247 15.205 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.326 13.793 16.370 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.746 13.265 17.937 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.167 16.665 15.473 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.931 15.273 14.671 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.820 16.179 15.918 1.00 0.00 H new ATOM 83 N PRO A 9 -15.704 10.219 14.485 1.00 0.00 N ATOM 84 CA PRO A 9 -15.836 9.361 13.304 1.00 0.00 C ATOM 85 C PRO A 9 -14.601 9.409 12.412 1.00 0.00 C ATOM 86 O PRO A 9 -14.369 8.506 11.608 1.00 0.00 O ATOM 87 CB PRO A 9 -17.047 9.947 12.573 1.00 0.00 C ATOM 88 CG PRO A 9 -17.098 11.371 13.007 1.00 0.00 C ATOM 89 CD PRO A 9 -16.593 11.392 14.423 1.00 0.00 C ATOM 0 HA PRO A 9 -15.951 8.311 13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.934 9.866 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.963 9.419 12.838 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.480 11.997 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.115 11.760 12.950 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.057 12.315 14.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.409 11.317 15.142 1.00 0.00 H new ATOM 97 N SER A 10 -13.810 10.467 12.559 1.00 0.00 N ATOM 98 CA SER A 10 -12.600 10.634 11.764 1.00 0.00 C ATOM 99 C SER A 10 -11.896 9.296 11.559 1.00 0.00 C ATOM 100 O SER A 10 -12.053 8.371 12.357 1.00 0.00 O ATOM 101 CB SER A 10 -11.651 11.624 12.442 1.00 0.00 C ATOM 102 OG SER A 10 -12.314 12.839 12.746 1.00 0.00 O ATOM 0 H SER A 10 -13.986 11.222 13.222 1.00 0.00 H new ATOM 0 HA SER A 10 -12.887 11.027 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.254 11.184 13.357 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.801 11.823 11.789 1.00 0.00 H new ATOM 0 HG SER A 10 -11.687 13.454 13.180 1.00 0.00 H new ATOM 108 N ARG A 11 -11.119 9.202 10.485 1.00 0.00 N ATOM 109 CA ARG A 11 -10.391 7.977 10.174 1.00 0.00 C ATOM 110 C ARG A 11 -9.004 8.295 9.622 1.00 0.00 C ATOM 111 O ARG A 11 -8.871 8.909 8.563 1.00 0.00 O ATOM 112 CB ARG A 11 -11.173 7.136 9.164 1.00 0.00 C ATOM 113 CG ARG A 11 -10.497 5.821 8.813 1.00 0.00 C ATOM 114 CD ARG A 11 -11.421 4.916 8.013 1.00 0.00 C ATOM 115 NE ARG A 11 -12.640 4.590 8.749 1.00 0.00 N ATOM 116 CZ ARG A 11 -13.734 5.343 8.727 1.00 0.00 C ATOM 117 NH1 ARG A 11 -13.762 6.458 8.010 1.00 0.00 N ATOM 118 NH2 ARG A 11 -14.804 4.981 9.423 1.00 0.00 N ATOM 0 H ARG A 11 -10.977 9.959 9.816 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.275 7.409 11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.164 6.929 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.314 7.717 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.592 6.018 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.190 5.313 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.684 5.405 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.895 3.996 7.757 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.652 3.738 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.942 6.740 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.604 7.034 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.787 4.124 9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.644 5.560 9.405 1.00 0.00 H new ATOM 132 N LYS A 12 -7.973 7.872 10.346 1.00 0.00 N ATOM 133 CA LYS A 12 -6.596 8.109 9.930 1.00 0.00 C ATOM 134 C LYS A 12 -6.472 8.067 8.410 1.00 0.00 C ATOM 135 O LYS A 12 -5.708 8.829 7.818 1.00 0.00 O ATOM 136 CB LYS A 12 -5.666 7.070 10.558 1.00 0.00 C ATOM 137 CG LYS A 12 -4.248 7.572 10.770 1.00 0.00 C ATOM 138 CD LYS A 12 -3.311 6.444 11.169 1.00 0.00 C ATOM 139 CE LYS A 12 -1.862 6.787 10.857 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.238 7.595 11.941 1.00 0.00 N ATOM 0 H LYS A 12 -8.066 7.363 11.225 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.305 9.102 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.079 6.758 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.638 6.187 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.886 8.040 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.245 8.340 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.417 6.241 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.592 5.532 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.293 5.868 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.813 7.339 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.251 7.808 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.765 8.484 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.261 7.058 12.831 1.00 0.00 H new ATOM 154 N PHE A 13 -7.229 7.171 7.784 1.00 0.00 N ATOM 155 CA PHE A 13 -7.204 7.030 6.333 1.00 0.00 C ATOM 156 C PHE A 13 -8.604 7.185 5.747 1.00 0.00 C ATOM 157 O PHE A 13 -9.494 6.379 6.017 1.00 0.00 O ATOM 158 CB PHE A 13 -6.623 5.669 5.942 1.00 0.00 C ATOM 159 CG PHE A 13 -5.399 5.292 6.727 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.174 5.877 6.448 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.474 4.353 7.743 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.046 5.531 7.168 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.349 4.004 8.467 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.134 4.594 8.179 1.00 0.00 C ATOM 0 H PHE A 13 -7.867 6.532 8.259 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.570 7.819 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.386 4.903 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.375 5.680 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.100 6.611 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.422 3.889 7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.097 5.993 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.420 3.271 9.257 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.254 4.323 8.743 1.00 0.00 H new ATOM 174 N ALA A 14 -8.791 8.228 4.944 1.00 0.00 N ATOM 175 CA ALA A 14 -10.081 8.489 4.319 1.00 0.00 C ATOM 176 C ALA A 14 -10.451 7.380 3.340 1.00 0.00 C ATOM 177 O ALA A 14 -9.594 6.855 2.629 1.00 0.00 O ATOM 178 CB ALA A 14 -10.062 9.835 3.611 1.00 0.00 C ATOM 0 H ALA A 14 -8.065 8.906 4.711 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.838 8.514 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.032 10.017 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.851 10.623 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.289 9.831 2.843 1.00 0.00 H new ATOM 184 N ASP A 15 -11.732 7.027 3.309 1.00 0.00 N ATOM 185 CA ASP A 15 -12.215 5.980 2.417 1.00 0.00 C ATOM 186 C ASP A 15 -12.038 6.386 0.957 1.00 0.00 C ATOM 187 O ASP A 15 -12.843 7.137 0.409 1.00 0.00 O ATOM 188 CB ASP A 15 -13.688 5.679 2.700 1.00 0.00 C ATOM 189 CG ASP A 15 -13.957 5.444 4.173 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.150 6.436 4.907 1.00 0.00 O ATOM 191 OD2 ASP A 15 -13.976 4.268 4.593 1.00 0.00 O ATOM 0 H ASP A 15 -12.454 7.451 3.892 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.626 5.081 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.300 6.510 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.992 4.799 2.133 1.00 0.00 H new ATOM 196 N GLY A 16 -10.977 5.883 0.333 1.00 0.00 N ATOM 197 CA GLY A 16 -10.713 6.205 -1.057 1.00 0.00 C ATOM 198 C GLY A 16 -9.336 6.805 -1.262 1.00 0.00 C ATOM 199 O GLY A 16 -8.869 6.931 -2.393 1.00 0.00 O ATOM 0 H GLY A 16 -10.296 5.259 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.806 5.302 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.468 6.905 -1.414 1.00 0.00 H new ATOM 203 N GLU A 17 -8.685 7.177 -0.164 1.00 0.00 N ATOM 204 CA GLU A 17 -7.354 7.770 -0.229 1.00 0.00 C ATOM 205 C GLU A 17 -6.317 6.733 -0.652 1.00 0.00 C ATOM 206 O GLU A 17 -6.448 5.548 -0.346 1.00 0.00 O ATOM 207 CB GLU A 17 -6.970 8.367 1.126 1.00 0.00 C ATOM 208 CG GLU A 17 -6.036 9.561 1.022 1.00 0.00 C ATOM 209 CD GLU A 17 -4.703 9.205 0.392 1.00 0.00 C ATOM 210 OE1 GLU A 17 -4.188 8.103 0.677 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.175 10.027 -0.385 1.00 0.00 O ATOM 0 H GLU A 17 -9.057 7.078 0.780 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.374 8.564 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.876 8.670 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.494 7.596 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.515 10.342 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.865 9.972 2.017 1.00 0.00 H new ATOM 218 N VAL A 18 -5.287 7.188 -1.359 1.00 0.00 N ATOM 219 CA VAL A 18 -4.228 6.302 -1.824 1.00 0.00 C ATOM 220 C VAL A 18 -3.059 6.282 -0.845 1.00 0.00 C ATOM 221 O VAL A 18 -2.337 7.269 -0.704 1.00 0.00 O ATOM 222 CB VAL A 18 -3.713 6.723 -3.213 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.610 5.786 -3.681 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.856 6.756 -4.217 1.00 0.00 C ATOM 0 H VAL A 18 -5.164 8.166 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.658 5.303 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.296 7.727 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.259 6.100 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.782 5.817 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.998 4.769 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.474 7.055 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.304 5.765 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.610 7.471 -3.887 1.00 0.00 H new ATOM 234 N VAL A 19 -2.877 5.151 -0.172 1.00 0.00 N ATOM 235 CA VAL A 19 -1.794 5.001 0.793 1.00 0.00 C ATOM 236 C VAL A 19 -1.069 3.674 0.604 1.00 0.00 C ATOM 237 O VAL A 19 -1.499 2.826 -0.178 1.00 0.00 O ATOM 238 CB VAL A 19 -2.315 5.087 2.240 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.070 6.390 2.460 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.198 3.890 2.560 1.00 0.00 C ATOM 0 H VAL A 19 -3.466 4.325 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.098 5.821 0.616 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.461 5.071 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.430 6.433 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.404 7.232 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.917 6.439 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.557 3.967 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.048 3.872 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.622 2.972 2.445 1.00 0.00 H new ATOM 250 N ARG A 20 0.034 3.500 1.324 1.00 0.00 N ATOM 251 CA ARG A 20 0.820 2.276 1.235 1.00 0.00 C ATOM 252 C ARG A 20 0.558 1.373 2.437 1.00 0.00 C ATOM 253 O ARG A 20 0.491 1.838 3.574 1.00 0.00 O ATOM 254 CB ARG A 20 2.311 2.607 1.149 1.00 0.00 C ATOM 255 CG ARG A 20 2.653 3.593 0.044 1.00 0.00 C ATOM 256 CD ARG A 20 2.626 5.027 0.550 1.00 0.00 C ATOM 257 NE ARG A 20 2.280 5.974 -0.507 1.00 0.00 N ATOM 258 CZ ARG A 20 3.119 6.337 -1.472 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.345 5.835 -1.512 1.00 0.00 N ATOM 260 NH2 ARG A 20 2.731 7.204 -2.398 1.00 0.00 N ATOM 0 H ARG A 20 0.404 4.192 1.976 1.00 0.00 H new ATOM 0 HA ARG A 20 0.519 1.746 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.639 3.017 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.870 1.685 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.641 3.365 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.944 3.482 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.904 5.111 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.602 5.284 0.962 1.00 0.00 H new ATOM 0 HE ARG A 20 1.344 6.379 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.647 5.168 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.987 6.115 -2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.788 7.593 -2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.375 7.482 -3.138 1.00 0.00 H new ATOM 274 N GLY A 21 0.410 0.077 2.176 1.00 0.00 N ATOM 275 CA GLY A 21 0.156 -0.870 3.246 1.00 0.00 C ATOM 276 C GLY A 21 1.252 -1.910 3.372 1.00 0.00 C ATOM 277 O GLY A 21 1.487 -2.688 2.448 1.00 0.00 O ATOM 0 H GLY A 21 0.461 -0.333 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.060 -0.331 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.796 -1.370 3.066 1.00 0.00 H new ATOM 281 N ARG A 22 1.925 -1.922 4.518 1.00 0.00 N ATOM 282 CA ARG A 22 3.004 -2.871 4.760 1.00 0.00 C ATOM 283 C ARG A 22 2.511 -4.307 4.601 1.00 0.00 C ATOM 284 O ARG A 22 1.875 -4.858 5.500 1.00 0.00 O ATOM 285 CB ARG A 22 3.583 -2.672 6.162 1.00 0.00 C ATOM 286 CG ARG A 22 4.852 -3.468 6.416 1.00 0.00 C ATOM 287 CD ARG A 22 5.413 -3.195 7.803 1.00 0.00 C ATOM 288 NE ARG A 22 4.856 -4.098 8.806 1.00 0.00 N ATOM 289 CZ ARG A 22 5.394 -4.283 10.007 1.00 0.00 C ATOM 290 NH1 ARG A 22 6.495 -3.630 10.352 1.00 0.00 N ATOM 291 NH2 ARG A 22 4.829 -5.122 10.866 1.00 0.00 N ATOM 0 H ARG A 22 1.742 -1.285 5.293 1.00 0.00 H new ATOM 0 HA ARG A 22 3.786 -2.689 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.793 -1.613 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.832 -2.956 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.642 -4.532 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.599 -3.214 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.498 -3.301 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.198 -2.164 8.084 1.00 0.00 H new ATOM 0 HE ARG A 22 4.008 -4.615 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.932 -2.983 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.906 -3.774 11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.981 -5.625 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.242 -5.264 11.788 1.00 0.00 H new ATOM 305 N TRP A 23 2.809 -4.905 3.453 1.00 0.00 N ATOM 306 CA TRP A 23 2.395 -6.276 3.177 1.00 0.00 C ATOM 307 C TRP A 23 2.489 -7.137 4.432 1.00 0.00 C ATOM 308 O TRP A 23 3.432 -7.031 5.216 1.00 0.00 O ATOM 309 CB TRP A 23 3.258 -6.877 2.066 1.00 0.00 C ATOM 310 CG TRP A 23 2.595 -8.012 1.347 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.846 -9.345 1.512 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.572 -7.915 0.350 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.042 -10.082 0.676 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.251 -9.228 -0.046 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.896 -6.848 -0.246 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.284 -9.499 -1.011 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.063 -7.118 -1.204 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.363 -8.434 -1.578 1.00 0.00 C ATOM 0 H TRP A 23 3.335 -4.463 2.699 1.00 0.00 H new ATOM 0 HA TRP A 23 1.355 -6.256 2.850 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.507 -6.097 1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.197 -7.227 2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.570 -9.759 2.199 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.035 -11.099 0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.119 -5.830 0.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.053 -10.513 -1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.590 -6.300 -1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.119 -8.612 -2.328 1.00 0.00 H new ATOM 329 N PRO A 24 1.490 -8.010 4.629 1.00 0.00 N ATOM 330 CA PRO A 24 1.439 -8.906 5.787 1.00 0.00 C ATOM 331 C PRO A 24 2.508 -9.992 5.728 1.00 0.00 C ATOM 332 O PRO A 24 2.571 -10.863 6.594 1.00 0.00 O ATOM 333 CB PRO A 24 0.042 -9.525 5.696 1.00 0.00 C ATOM 334 CG PRO A 24 -0.314 -9.444 4.252 1.00 0.00 C ATOM 335 CD PRO A 24 0.334 -8.190 3.735 1.00 0.00 C ATOM 0 HA PRO A 24 1.625 -8.375 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.043 -10.557 6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.674 -8.980 6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.045 -10.320 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.395 -9.408 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.643 -8.297 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.345 -7.339 3.780 1.00 0.00 H new ATOM 343 N GLY A 25 3.347 -9.934 4.698 1.00 0.00 N ATOM 344 CA GLY A 25 4.402 -10.919 4.545 1.00 0.00 C ATOM 345 C GLY A 25 5.707 -10.303 4.079 1.00 0.00 C ATOM 346 O GLY A 25 6.432 -10.899 3.283 1.00 0.00 O ATOM 0 H GLY A 25 3.315 -9.223 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.562 -11.426 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.086 -11.678 3.829 1.00 0.00 H new ATOM 350 N SER A 26 6.005 -9.107 4.575 1.00 0.00 N ATOM 351 CA SER A 26 7.229 -8.407 4.200 1.00 0.00 C ATOM 352 C SER A 26 7.456 -7.193 5.095 1.00 0.00 C ATOM 353 O SER A 26 6.644 -6.892 5.969 1.00 0.00 O ATOM 354 CB SER A 26 7.162 -7.970 2.735 1.00 0.00 C ATOM 355 OG SER A 26 8.455 -7.935 2.154 1.00 0.00 O ATOM 0 H SER A 26 5.416 -8.602 5.237 1.00 0.00 H new ATOM 0 HA SER A 26 8.066 -9.093 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.527 -8.657 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.702 -6.984 2.667 1.00 0.00 H new ATOM 0 HG SER A 26 8.385 -7.655 1.218 1.00 0.00 H new ATOM 361 N SER A 27 8.568 -6.500 4.869 1.00 0.00 N ATOM 362 CA SER A 27 8.906 -5.321 5.657 1.00 0.00 C ATOM 363 C SER A 27 8.945 -4.073 4.779 1.00 0.00 C ATOM 364 O SER A 27 9.702 -3.138 5.042 1.00 0.00 O ATOM 365 CB SER A 27 10.257 -5.513 6.349 1.00 0.00 C ATOM 366 OG SER A 27 10.108 -6.203 7.578 1.00 0.00 O ATOM 0 H SER A 27 9.249 -6.735 4.147 1.00 0.00 H new ATOM 0 HA SER A 27 8.134 -5.188 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.928 -6.070 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.719 -4.542 6.527 1.00 0.00 H new ATOM 0 HG SER A 27 10.986 -6.314 7.999 1.00 0.00 H new ATOM 372 N LEU A 28 8.123 -4.067 3.735 1.00 0.00 N ATOM 373 CA LEU A 28 8.062 -2.935 2.817 1.00 0.00 C ATOM 374 C LEU A 28 6.618 -2.512 2.570 1.00 0.00 C ATOM 375 O LEU A 28 5.694 -3.317 2.693 1.00 0.00 O ATOM 376 CB LEU A 28 8.734 -3.293 1.490 1.00 0.00 C ATOM 377 CG LEU A 28 10.129 -3.912 1.590 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.568 -4.457 0.240 1.00 0.00 C ATOM 379 CD2 LEU A 28 11.131 -2.890 2.106 1.00 0.00 C ATOM 0 H LEU A 28 7.490 -4.833 3.503 1.00 0.00 H new ATOM 0 HA LEU A 28 8.593 -2.100 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.087 -3.988 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.802 -2.389 0.885 1.00 0.00 H new ATOM 0 HG LEU A 28 10.088 -4.740 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.563 -4.894 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.865 -5.221 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.592 -3.647 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.118 -3.348 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.169 -2.041 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.825 -2.547 3.094 1.00 0.00 H new ATOM 391 N TYR A 29 6.430 -1.244 2.221 1.00 0.00 N ATOM 392 CA TYR A 29 5.098 -0.713 1.957 1.00 0.00 C ATOM 393 C TYR A 29 4.862 -0.553 0.458 1.00 0.00 C ATOM 394 O TYR A 29 5.748 -0.117 -0.278 1.00 0.00 O ATOM 395 CB TYR A 29 4.914 0.632 2.661 1.00 0.00 C ATOM 396 CG TYR A 29 5.161 0.575 4.151 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.417 0.261 4.655 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.139 0.836 5.055 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.647 0.207 6.016 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.360 0.786 6.418 1.00 0.00 C ATOM 401 CZ TYR A 29 5.616 0.470 6.894 1.00 0.00 C ATOM 402 OH TYR A 29 5.841 0.419 8.250 1.00 0.00 O ATOM 0 H TYR A 29 7.183 -0.565 2.114 1.00 0.00 H new ATOM 0 HA TYR A 29 4.368 -1.422 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.592 1.361 2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.900 0.990 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.227 0.056 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.154 1.082 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.629 -0.040 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.554 0.993 7.107 1.00 0.00 H new ATOM 0 HH TYR A 29 5.012 0.631 8.727 1.00 0.00 H new ATOM 412 N TYR A 30 3.662 -0.907 0.013 1.00 0.00 N ATOM 413 CA TYR A 30 3.309 -0.804 -1.397 1.00 0.00 C ATOM 414 C TYR A 30 2.035 0.015 -1.582 1.00 0.00 C ATOM 415 O TYR A 30 1.118 -0.052 -0.764 1.00 0.00 O ATOM 416 CB TYR A 30 3.125 -2.198 -2.001 1.00 0.00 C ATOM 417 CG TYR A 30 4.303 -3.117 -1.774 1.00 0.00 C ATOM 418 CD1 TYR A 30 4.437 -3.827 -0.587 1.00 0.00 C ATOM 419 CD2 TYR A 30 5.283 -3.276 -2.746 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.513 -4.667 -0.375 1.00 0.00 C ATOM 421 CE2 TYR A 30 6.361 -4.115 -2.543 1.00 0.00 C ATOM 422 CZ TYR A 30 6.472 -4.808 -1.356 1.00 0.00 C ATOM 423 OH TYR A 30 7.545 -5.645 -1.149 1.00 0.00 O ATOM 0 H TYR A 30 2.917 -1.268 0.609 1.00 0.00 H new ATOM 0 HA TYR A 30 4.124 -0.296 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.232 -2.654 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.953 -2.100 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.687 -3.720 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.200 -2.734 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.603 -5.210 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.113 -4.228 -3.310 1.00 0.00 H new ATOM 0 HH TYR A 30 8.127 -5.632 -1.937 1.00 0.00 H new ATOM 433 N GLU A 31 1.987 0.787 -2.663 1.00 0.00 N ATOM 434 CA GLU A 31 0.826 1.619 -2.956 1.00 0.00 C ATOM 435 C GLU A 31 -0.465 0.814 -2.833 1.00 0.00 C ATOM 436 O GLU A 31 -0.535 -0.338 -3.262 1.00 0.00 O ATOM 437 CB GLU A 31 0.938 2.214 -4.361 1.00 0.00 C ATOM 438 CG GLU A 31 -0.349 2.852 -4.856 1.00 0.00 C ATOM 439 CD GLU A 31 -1.244 1.869 -5.586 1.00 0.00 C ATOM 440 OE1 GLU A 31 -0.721 1.083 -6.402 1.00 0.00 O ATOM 441 OE2 GLU A 31 -2.469 1.888 -5.341 1.00 0.00 O ATOM 0 H GLU A 31 2.738 0.854 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 31 0.799 2.430 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.730 2.962 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.235 1.429 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.891 3.272 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.107 3.681 -5.521 1.00 0.00 H new ATOM 448 N VAL A 32 -1.486 1.430 -2.245 1.00 0.00 N ATOM 449 CA VAL A 32 -2.775 0.773 -2.066 1.00 0.00 C ATOM 450 C VAL A 32 -3.870 1.786 -1.755 1.00 0.00 C ATOM 451 O VAL A 32 -3.589 2.914 -1.352 1.00 0.00 O ATOM 452 CB VAL A 32 -2.720 -0.271 -0.934 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.893 -1.475 -1.357 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.162 0.351 0.337 1.00 0.00 C ATOM 0 H VAL A 32 -1.445 2.383 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.007 0.269 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.734 -0.613 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.866 -2.201 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.342 -1.933 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.878 -1.155 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.130 -0.400 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.155 0.722 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.801 1.177 0.648 1.00 0.00 H new ATOM 464 N GLU A 33 -5.120 1.376 -1.947 1.00 0.00 N ATOM 465 CA GLU A 33 -6.258 2.250 -1.687 1.00 0.00 C ATOM 466 C GLU A 33 -7.044 1.773 -0.469 1.00 0.00 C ATOM 467 O GLU A 33 -7.031 0.588 -0.134 1.00 0.00 O ATOM 468 CB GLU A 33 -7.176 2.305 -2.910 1.00 0.00 C ATOM 469 CG GLU A 33 -8.633 2.571 -2.567 1.00 0.00 C ATOM 470 CD GLU A 33 -9.522 2.616 -3.794 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.017 2.970 -4.879 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.723 2.298 -3.668 1.00 0.00 O ATOM 0 H GLU A 33 -5.370 0.445 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.876 3.250 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.822 3.085 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.105 1.361 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.991 1.794 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.710 3.518 -2.032 1.00 0.00 H new ATOM 479 N ILE A 34 -7.726 2.703 0.189 1.00 0.00 N ATOM 480 CA ILE A 34 -8.518 2.378 1.369 1.00 0.00 C ATOM 481 C ILE A 34 -9.948 2.013 0.988 1.00 0.00 C ATOM 482 O ILE A 34 -10.692 2.840 0.458 1.00 0.00 O ATOM 483 CB ILE A 34 -8.548 3.551 2.367 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.125 3.929 2.786 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.385 3.189 3.585 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.520 2.979 3.795 1.00 0.00 C ATOM 0 H ILE A 34 -7.746 3.688 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.041 1.520 1.843 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.005 4.412 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.490 3.959 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.134 4.935 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.397 4.028 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.404 2.963 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.955 2.316 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.512 3.308 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.133 2.967 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.479 1.976 3.371 1.00 0.00 H new ATOM 498 N LEU A 35 -10.329 0.771 1.263 1.00 0.00 N ATOM 499 CA LEU A 35 -11.673 0.295 0.952 1.00 0.00 C ATOM 500 C LEU A 35 -12.617 0.521 2.128 1.00 0.00 C ATOM 501 O LEU A 35 -13.676 1.131 1.979 1.00 0.00 O ATOM 502 CB LEU A 35 -11.638 -1.190 0.589 1.00 0.00 C ATOM 503 CG LEU A 35 -10.554 -1.614 -0.404 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.591 -3.118 -0.625 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.721 -0.874 -1.723 1.00 0.00 C ATOM 0 H LEU A 35 -9.726 0.074 1.701 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.044 0.863 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.507 -1.765 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.608 -1.465 0.176 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.582 -1.354 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.813 -3.401 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.422 -3.629 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.565 -3.404 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.942 -1.188 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.699 -1.103 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.643 0.199 -1.550 1.00 0.00 H new ATOM 517 N SER A 36 -12.225 0.027 3.298 1.00 0.00 N ATOM 518 CA SER A 36 -13.038 0.173 4.500 1.00 0.00 C ATOM 519 C SER A 36 -12.204 -0.077 5.753 1.00 0.00 C ATOM 520 O SER A 36 -11.001 -0.329 5.672 1.00 0.00 O ATOM 521 CB SER A 36 -14.223 -0.793 4.461 1.00 0.00 C ATOM 522 OG SER A 36 -15.191 -0.375 3.514 1.00 0.00 O ATOM 0 H SER A 36 -11.350 -0.478 3.439 1.00 0.00 H new ATOM 0 HA SER A 36 -13.414 1.196 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.872 -1.794 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.679 -0.854 5.449 1.00 0.00 H new ATOM 0 HG SER A 36 -14.898 0.461 3.094 1.00 0.00 H new ATOM 528 N HIS A 37 -12.852 -0.006 6.911 1.00 0.00 N ATOM 529 CA HIS A 37 -12.171 -0.226 8.183 1.00 0.00 C ATOM 530 C HIS A 37 -13.110 -0.874 9.196 1.00 0.00 C ATOM 531 O HIS A 37 -14.331 -0.801 9.061 1.00 0.00 O ATOM 532 CB HIS A 37 -11.639 1.097 8.736 1.00 0.00 C ATOM 533 CG HIS A 37 -11.518 1.117 10.228 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.544 0.421 10.913 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.254 1.755 11.168 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.688 0.629 12.210 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.718 1.435 12.391 1.00 0.00 N ATOM 0 H HIS A 37 -13.847 0.202 6.996 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.333 -0.901 8.007 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.661 1.298 8.298 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.301 1.905 8.423 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.825 -0.163 10.485 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.104 2.396 10.989 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.068 0.211 12.990 1.00 0.00 H new ATOM 546 N ASP A 38 -12.531 -1.508 10.210 1.00 0.00 N ATOM 547 CA ASP A 38 -13.315 -2.168 11.247 1.00 0.00 C ATOM 548 C ASP A 38 -12.815 -1.783 12.635 1.00 0.00 C ATOM 549 O ASP A 38 -11.610 -1.730 12.880 1.00 0.00 O ATOM 550 CB ASP A 38 -13.254 -3.687 11.073 1.00 0.00 C ATOM 551 CG ASP A 38 -14.499 -4.379 11.591 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.720 -4.361 12.820 1.00 0.00 O ATOM 553 OD2 ASP A 38 -15.252 -4.939 10.768 1.00 0.00 O ATOM 0 H ASP A 38 -11.521 -1.579 10.336 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.350 -1.839 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.123 -3.924 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.381 -4.075 11.598 1.00 0.00 H new ATOM 558 N SER A 39 -13.750 -1.512 13.541 1.00 0.00 N ATOM 559 CA SER A 39 -13.404 -1.126 14.904 1.00 0.00 C ATOM 560 C SER A 39 -13.461 -2.329 15.841 1.00 0.00 C ATOM 561 O SER A 39 -13.250 -2.203 17.047 1.00 0.00 O ATOM 562 CB SER A 39 -14.350 -0.032 15.403 1.00 0.00 C ATOM 563 OG SER A 39 -15.703 -0.443 15.301 1.00 0.00 O ATOM 0 H SER A 39 -14.752 -1.553 13.356 1.00 0.00 H new ATOM 0 HA SER A 39 -12.385 -0.740 14.898 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.117 0.210 16.440 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.198 0.878 14.822 1.00 0.00 H new ATOM 0 HG SER A 39 -16.288 0.272 15.628 1.00 0.00 H new ATOM 569 N THR A 40 -13.748 -3.498 15.276 1.00 0.00 N ATOM 570 CA THR A 40 -13.834 -4.725 16.058 1.00 0.00 C ATOM 571 C THR A 40 -12.613 -5.609 15.831 1.00 0.00 C ATOM 572 O THR A 40 -12.230 -6.390 16.702 1.00 0.00 O ATOM 573 CB THR A 40 -15.104 -5.524 15.711 1.00 0.00 C ATOM 574 OG1 THR A 40 -16.264 -4.706 15.897 1.00 0.00 O ATOM 575 CG2 THR A 40 -15.212 -6.770 16.577 1.00 0.00 C ATOM 0 H THR A 40 -13.925 -3.620 14.279 1.00 0.00 H new ATOM 0 HA THR A 40 -13.875 -4.429 17.106 1.00 0.00 H new ATOM 0 HB THR A 40 -15.040 -5.830 14.667 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.067 -5.221 15.673 1.00 0.00 H new ATOM 0 HG21 THR A 40 -16.117 -7.318 16.314 1.00 0.00 H new ATOM 0 HG22 THR A 40 -14.342 -7.405 16.411 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.255 -6.481 17.627 1.00 0.00 H new ATOM 583 N SER A 41 -12.005 -5.479 14.657 1.00 0.00 N ATOM 584 CA SER A 41 -10.828 -6.269 14.314 1.00 0.00 C ATOM 585 C SER A 41 -9.599 -5.377 14.166 1.00 0.00 C ATOM 586 O SER A 41 -8.481 -5.866 14.007 1.00 0.00 O ATOM 587 CB SER A 41 -11.068 -7.045 13.018 1.00 0.00 C ATOM 588 OG SER A 41 -11.575 -6.197 12.002 1.00 0.00 O ATOM 0 H SER A 41 -12.308 -4.834 13.927 1.00 0.00 H new ATOM 0 HA SER A 41 -10.647 -6.976 15.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.135 -7.500 12.685 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.771 -7.858 13.202 1.00 0.00 H new ATOM 0 HG SER A 41 -11.718 -6.717 11.184 1.00 0.00 H new ATOM 594 N GLN A 42 -9.816 -4.067 14.221 1.00 0.00 N ATOM 595 CA GLN A 42 -8.727 -3.107 14.092 1.00 0.00 C ATOM 596 C GLN A 42 -7.909 -3.377 12.834 1.00 0.00 C ATOM 597 O GLN A 42 -6.690 -3.201 12.824 1.00 0.00 O ATOM 598 CB GLN A 42 -7.823 -3.161 15.324 1.00 0.00 C ATOM 599 CG GLN A 42 -8.550 -2.868 16.627 1.00 0.00 C ATOM 600 CD GLN A 42 -8.706 -1.383 16.886 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.993 -0.562 16.309 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.642 -1.029 17.760 1.00 0.00 N ATOM 0 H GLN A 42 -10.736 -3.647 14.354 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.162 -2.111 14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.367 -4.149 15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.012 -2.443 15.201 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.535 -3.334 16.602 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.003 -3.322 17.454 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.211 -1.743 18.215 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.792 -0.043 17.976 1.00 0.00 H new ATOM 611 N LEU A 43 -8.586 -3.805 11.774 1.00 0.00 N ATOM 612 CA LEU A 43 -7.922 -4.100 10.509 1.00 0.00 C ATOM 613 C LEU A 43 -8.498 -3.250 9.381 1.00 0.00 C ATOM 614 O LEU A 43 -9.697 -2.973 9.348 1.00 0.00 O ATOM 615 CB LEU A 43 -8.065 -5.584 10.169 1.00 0.00 C ATOM 616 CG LEU A 43 -7.231 -6.549 11.013 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.663 -7.986 10.764 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.750 -6.376 10.713 1.00 0.00 C ATOM 0 H LEU A 43 -9.595 -3.956 11.765 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.864 -3.859 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.115 -5.860 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.797 -5.724 9.122 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.397 -6.318 12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.059 -8.658 11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.714 -8.101 11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.527 -8.230 9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.172 -7.070 11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.566 -6.579 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.449 -5.354 10.943 1.00 0.00 H new ATOM 630 N TYR A 44 -7.636 -2.842 8.456 1.00 0.00 N ATOM 631 CA TYR A 44 -8.059 -2.024 7.326 1.00 0.00 C ATOM 632 C TYR A 44 -7.995 -2.818 6.025 1.00 0.00 C ATOM 633 O TYR A 44 -7.004 -3.493 5.742 1.00 0.00 O ATOM 634 CB TYR A 44 -7.182 -0.774 7.217 1.00 0.00 C ATOM 635 CG TYR A 44 -7.531 0.299 8.223 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.315 0.102 9.582 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.077 1.510 7.816 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.633 1.079 10.505 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.396 2.494 8.732 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.173 2.274 10.075 1.00 0.00 C ATOM 641 OH TYR A 44 -8.491 3.251 10.990 1.00 0.00 O ATOM 0 H TYR A 44 -6.641 -3.064 8.467 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.092 -1.721 7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.139 -1.060 7.350 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.274 -0.362 6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.891 -0.831 9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.255 1.685 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.460 0.909 11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.818 3.430 8.398 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.798 3.289 11.682 1.00 0.00 H new ATOM 651 N THR A 45 -9.060 -2.732 5.234 1.00 0.00 N ATOM 652 CA THR A 45 -9.127 -3.441 3.963 1.00 0.00 C ATOM 653 C THR A 45 -8.639 -2.563 2.816 1.00 0.00 C ATOM 654 O THR A 45 -9.356 -1.680 2.348 1.00 0.00 O ATOM 655 CB THR A 45 -10.562 -3.913 3.658 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.069 -4.680 4.755 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.598 -4.749 2.387 1.00 0.00 C ATOM 0 H THR A 45 -9.888 -2.178 5.452 1.00 0.00 H new ATOM 0 HA THR A 45 -8.477 -4.311 4.053 1.00 0.00 H new ATOM 0 HB THR A 45 -11.188 -3.032 3.512 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.982 -4.975 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.621 -5.071 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.239 -4.152 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.959 -5.624 2.509 1.00 0.00 H new ATOM 665 N VAL A 46 -7.413 -2.813 2.367 1.00 0.00 N ATOM 666 CA VAL A 46 -6.828 -2.046 1.273 1.00 0.00 C ATOM 667 C VAL A 46 -6.755 -2.877 -0.003 1.00 0.00 C ATOM 668 O VAL A 46 -6.783 -4.107 0.041 1.00 0.00 O ATOM 669 CB VAL A 46 -5.415 -1.547 1.629 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.469 -0.586 2.807 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.497 -2.721 1.931 1.00 0.00 C ATOM 0 H VAL A 46 -6.806 -3.541 2.744 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.477 -1.186 1.107 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.011 -1.010 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.462 -0.244 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.092 0.271 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.892 -1.095 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.503 -2.351 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.895 -3.287 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.434 -3.368 1.056 1.00 0.00 H new ATOM 681 N LYS A 47 -6.662 -2.196 -1.141 1.00 0.00 N ATOM 682 CA LYS A 47 -6.583 -2.870 -2.431 1.00 0.00 C ATOM 683 C LYS A 47 -5.272 -2.540 -3.138 1.00 0.00 C ATOM 684 O LYS A 47 -4.839 -1.388 -3.157 1.00 0.00 O ATOM 685 CB LYS A 47 -7.766 -2.466 -3.314 1.00 0.00 C ATOM 686 CG LYS A 47 -7.945 -3.353 -4.534 1.00 0.00 C ATOM 687 CD LYS A 47 -9.081 -2.863 -5.417 1.00 0.00 C ATOM 688 CE LYS A 47 -9.729 -4.009 -6.178 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.584 -3.520 -7.295 1.00 0.00 N ATOM 0 H LYS A 47 -6.640 -1.178 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.620 -3.945 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.679 -2.493 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.629 -1.435 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.019 -3.374 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.146 -4.376 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.830 -2.362 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.702 -2.124 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.954 -4.666 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.332 -4.605 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.008 -4.331 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.339 -2.914 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.004 -2.973 -7.963 1.00 0.00 H new ATOM 703 N TYR A 48 -4.646 -3.558 -3.719 1.00 0.00 N ATOM 704 CA TYR A 48 -3.384 -3.375 -4.426 1.00 0.00 C ATOM 705 C TYR A 48 -3.603 -3.359 -5.936 1.00 0.00 C ATOM 706 O TYR A 48 -4.578 -3.916 -6.440 1.00 0.00 O ATOM 707 CB TYR A 48 -2.402 -4.487 -4.054 1.00 0.00 C ATOM 708 CG TYR A 48 -1.966 -4.451 -2.606 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.776 -4.970 -1.604 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.746 -3.897 -2.241 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.383 -4.938 -0.280 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.343 -3.862 -0.920 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.165 -4.384 0.057 1.00 0.00 C ATOM 714 OH TYR A 48 -0.769 -4.350 1.374 1.00 0.00 O ATOM 0 H TYR A 48 -4.992 -4.518 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.965 -2.414 -4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.864 -5.452 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.521 -4.411 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.729 -5.406 -1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.101 -3.486 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.026 -5.344 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.610 -3.429 -0.654 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.029 -3.715 1.477 1.00 0.00 H new ATOM 724 N LYS A 49 -2.688 -2.716 -6.653 1.00 0.00 N ATOM 725 CA LYS A 49 -2.777 -2.628 -8.105 1.00 0.00 C ATOM 726 C LYS A 49 -3.178 -3.970 -8.709 1.00 0.00 C ATOM 727 O LYS A 49 -4.274 -4.114 -9.251 1.00 0.00 O ATOM 728 CB LYS A 49 -1.439 -2.172 -8.692 1.00 0.00 C ATOM 729 CG LYS A 49 -1.441 -2.074 -10.208 1.00 0.00 C ATOM 730 CD LYS A 49 -1.859 -0.689 -10.676 1.00 0.00 C ATOM 731 CE LYS A 49 -0.671 0.259 -10.738 1.00 0.00 C ATOM 732 NZ LYS A 49 -0.438 0.942 -9.436 1.00 0.00 N ATOM 0 H LYS A 49 -1.876 -2.248 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.545 -1.895 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.181 -1.199 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.660 -2.869 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.446 -2.303 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.121 -2.819 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.321 -0.760 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.612 -0.287 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.223 -0.297 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.842 1.005 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.041 1.850 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.350 1.112 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.157 0.341 -8.831 1.00 0.00 H new ATOM 746 N ASP A 50 -2.286 -4.948 -8.610 1.00 0.00 N ATOM 747 CA ASP A 50 -2.548 -6.280 -9.144 1.00 0.00 C ATOM 748 C ASP A 50 -4.014 -6.661 -8.957 1.00 0.00 C ATOM 749 O ASP A 50 -4.587 -7.382 -9.773 1.00 0.00 O ATOM 750 CB ASP A 50 -1.649 -7.312 -8.463 1.00 0.00 C ATOM 751 CG ASP A 50 -1.928 -7.434 -6.978 1.00 0.00 C ATOM 752 OD1 ASP A 50 -2.194 -6.395 -6.338 1.00 0.00 O ATOM 753 OD2 ASP A 50 -1.881 -8.567 -6.456 1.00 0.00 O ATOM 0 H ASP A 50 -1.374 -4.844 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.328 -6.267 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.792 -8.283 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.605 -7.035 -8.612 1.00 0.00 H new ATOM 758 N GLY A 51 -4.614 -6.172 -7.876 1.00 0.00 N ATOM 759 CA GLY A 51 -6.007 -6.473 -7.601 1.00 0.00 C ATOM 760 C GLY A 51 -6.172 -7.464 -6.466 1.00 0.00 C ATOM 761 O GLY A 51 -6.886 -8.458 -6.598 1.00 0.00 O ATOM 0 H GLY A 51 -4.161 -5.573 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.533 -5.551 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.473 -6.874 -8.501 1.00 0.00 H new ATOM 765 N THR A 52 -5.509 -7.194 -5.346 1.00 0.00 N ATOM 766 CA THR A 52 -5.583 -8.071 -4.184 1.00 0.00 C ATOM 767 C THR A 52 -6.035 -7.305 -2.945 1.00 0.00 C ATOM 768 O THR A 52 -5.608 -6.174 -2.715 1.00 0.00 O ATOM 769 CB THR A 52 -4.225 -8.737 -3.895 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.855 -9.588 -4.986 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.283 -9.549 -2.609 1.00 0.00 C ATOM 0 H THR A 52 -4.915 -6.375 -5.219 1.00 0.00 H new ATOM 0 HA THR A 52 -6.315 -8.844 -4.418 1.00 0.00 H new ATOM 0 HB THR A 52 -3.478 -7.952 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.312 -9.082 -5.626 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.312 -10.010 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.537 -8.893 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.042 -10.326 -2.703 1.00 0.00 H new ATOM 779 N GLU A 53 -6.899 -7.929 -2.151 1.00 0.00 N ATOM 780 CA GLU A 53 -7.407 -7.305 -0.936 1.00 0.00 C ATOM 781 C GLU A 53 -6.819 -7.971 0.305 1.00 0.00 C ATOM 782 O GLU A 53 -6.884 -9.191 0.459 1.00 0.00 O ATOM 783 CB GLU A 53 -8.935 -7.385 -0.895 1.00 0.00 C ATOM 784 CG GLU A 53 -9.615 -6.587 -1.995 1.00 0.00 C ATOM 785 CD GLU A 53 -11.126 -6.715 -1.959 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.687 -6.826 -0.849 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.747 -6.705 -3.043 1.00 0.00 O ATOM 0 H GLU A 53 -7.262 -8.866 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.105 -6.258 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.238 -8.429 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.284 -7.024 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.341 -5.536 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.248 -6.925 -2.964 1.00 0.00 H new ATOM 794 N LEU A 54 -6.244 -7.161 1.188 1.00 0.00 N ATOM 795 CA LEU A 54 -5.644 -7.670 2.416 1.00 0.00 C ATOM 796 C LEU A 54 -6.109 -6.864 3.624 1.00 0.00 C ATOM 797 O LEU A 54 -6.783 -5.845 3.480 1.00 0.00 O ATOM 798 CB LEU A 54 -4.118 -7.627 2.316 1.00 0.00 C ATOM 799 CG LEU A 54 -3.499 -8.396 1.148 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.021 -8.066 1.015 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.699 -9.893 1.331 1.00 0.00 C ATOM 0 H LEU A 54 -6.181 -6.149 1.076 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.965 -8.703 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.808 -6.585 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.702 -8.019 3.244 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.002 -8.092 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.598 -8.623 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.901 -6.997 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.503 -8.341 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.253 -10.425 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.223 -10.213 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.765 -10.115 1.376 1.00 0.00 H new ATOM 813 N GLU A 55 -5.741 -7.327 4.815 1.00 0.00 N ATOM 814 CA GLU A 55 -6.120 -6.648 6.048 1.00 0.00 C ATOM 815 C GLU A 55 -4.886 -6.169 6.807 1.00 0.00 C ATOM 816 O GLU A 55 -4.145 -6.969 7.379 1.00 0.00 O ATOM 817 CB GLU A 55 -6.948 -7.579 6.936 1.00 0.00 C ATOM 818 CG GLU A 55 -8.440 -7.521 6.655 1.00 0.00 C ATOM 819 CD GLU A 55 -9.218 -8.585 7.405 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.901 -9.781 7.236 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.143 -8.221 8.161 1.00 0.00 O ATOM 0 H GLU A 55 -5.181 -8.169 4.951 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.723 -5.779 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.600 -8.603 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.773 -7.321 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.820 -6.537 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.609 -7.640 5.585 1.00 0.00 H new ATOM 828 N LEU A 56 -4.671 -4.858 6.806 1.00 0.00 N ATOM 829 CA LEU A 56 -3.526 -4.270 7.494 1.00 0.00 C ATOM 830 C LEU A 56 -3.982 -3.336 8.610 1.00 0.00 C ATOM 831 O LEU A 56 -4.883 -2.518 8.421 1.00 0.00 O ATOM 832 CB LEU A 56 -2.647 -3.507 6.501 1.00 0.00 C ATOM 833 CG LEU A 56 -2.325 -4.232 5.195 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.501 -3.341 4.278 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.590 -5.535 5.475 1.00 0.00 C ATOM 0 H LEU A 56 -5.274 -4.182 6.337 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.945 -5.078 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.140 -2.566 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.708 -3.257 6.995 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.263 -4.467 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.282 -3.875 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.063 -2.435 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.567 -3.074 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.369 -6.038 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.659 -5.322 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.215 -6.180 6.092 1.00 0.00 H new ATOM 847 N LYS A 57 -3.353 -3.461 9.773 1.00 0.00 N ATOM 848 CA LYS A 57 -3.691 -2.626 10.920 1.00 0.00 C ATOM 849 C LYS A 57 -3.512 -1.148 10.588 1.00 0.00 C ATOM 850 O LYS A 57 -2.873 -0.799 9.597 1.00 0.00 O ATOM 851 CB LYS A 57 -2.820 -2.999 12.122 1.00 0.00 C ATOM 852 CG LYS A 57 -3.393 -4.128 12.961 1.00 0.00 C ATOM 853 CD LYS A 57 -2.506 -4.442 14.154 1.00 0.00 C ATOM 854 CE LYS A 57 -2.788 -5.830 14.709 1.00 0.00 C ATOM 855 NZ LYS A 57 -2.315 -5.972 16.114 1.00 0.00 N ATOM 0 H LYS A 57 -2.606 -4.133 9.947 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.738 -2.800 11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.830 -3.287 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.689 -2.119 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.389 -3.854 13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.505 -5.020 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.459 -4.373 13.858 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.667 -3.698 14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.859 -6.028 14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.299 -6.577 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.525 -6.931 16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.289 -5.808 16.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.800 -5.276 16.716 1.00 0.00 H new ATOM 869 N GLU A 58 -4.080 -0.286 11.426 1.00 0.00 N ATOM 870 CA GLU A 58 -3.981 1.155 11.220 1.00 0.00 C ATOM 871 C GLU A 58 -2.523 1.604 11.203 1.00 0.00 C ATOM 872 O GLU A 58 -2.191 2.651 10.649 1.00 0.00 O ATOM 873 CB GLU A 58 -4.744 1.902 12.316 1.00 0.00 C ATOM 874 CG GLU A 58 -4.876 3.393 12.057 1.00 0.00 C ATOM 875 CD GLU A 58 -5.478 4.138 13.233 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.655 3.878 13.559 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.773 4.981 13.826 1.00 0.00 O ATOM 0 H GLU A 58 -4.612 -0.559 12.252 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.426 1.389 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.740 1.469 12.414 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.236 1.751 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.893 3.808 11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.497 3.551 11.175 1.00 0.00 H new ATOM 884 N ASN A 59 -1.656 0.803 11.815 1.00 0.00 N ATOM 885 CA ASN A 59 -0.233 1.117 11.871 1.00 0.00 C ATOM 886 C ASN A 59 0.485 0.615 10.623 1.00 0.00 C ATOM 887 O ASN A 59 1.385 1.276 10.104 1.00 0.00 O ATOM 888 CB ASN A 59 0.398 0.498 13.120 1.00 0.00 C ATOM 889 CG ASN A 59 1.654 1.228 13.555 1.00 0.00 C ATOM 890 OD1 ASN A 59 1.646 2.445 13.740 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.743 0.485 13.720 1.00 0.00 N ATOM 0 H ASN A 59 -1.914 -0.068 12.279 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.127 2.201 11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.327 0.510 13.934 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.638 -0.547 12.923 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.618 0.920 14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.704 -0.521 13.555 1.00 0.00 H new ATOM 898 N ASP A 60 0.081 -0.557 10.146 1.00 0.00 N ATOM 899 CA ASP A 60 0.684 -1.148 8.956 1.00 0.00 C ATOM 900 C ASP A 60 0.451 -0.266 7.734 1.00 0.00 C ATOM 901 O ASP A 60 1.103 -0.433 6.703 1.00 0.00 O ATOM 902 CB ASP A 60 0.113 -2.545 8.710 1.00 0.00 C ATOM 903 CG ASP A 60 0.500 -3.529 9.797 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.836 -3.078 10.911 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.466 -4.749 9.532 1.00 0.00 O ATOM 0 H ASP A 60 -0.662 -1.117 10.565 1.00 0.00 H new ATOM 0 HA ASP A 60 1.758 -1.228 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.974 -2.485 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.466 -2.914 7.747 1.00 0.00 H new ATOM 910 N ILE A 61 -0.484 0.670 7.855 1.00 0.00 N ATOM 911 CA ILE A 61 -0.803 1.577 6.760 1.00 0.00 C ATOM 912 C ILE A 61 -0.277 2.981 7.038 1.00 0.00 C ATOM 913 O ILE A 61 -0.313 3.456 8.174 1.00 0.00 O ATOM 914 CB ILE A 61 -2.322 1.650 6.513 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.875 0.259 6.196 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.628 2.618 5.380 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.383 0.173 6.290 1.00 0.00 C ATOM 0 H ILE A 61 -1.034 0.820 8.701 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.317 1.179 5.869 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.806 2.016 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.565 -0.026 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.434 -0.464 6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.705 2.659 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.263 3.611 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.136 2.279 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.705 -0.841 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.700 0.427 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.832 0.871 5.583 1.00 0.00 H new ATOM 929 N LYS A 62 0.209 3.643 5.994 1.00 0.00 N ATOM 930 CA LYS A 62 0.740 4.995 6.123 1.00 0.00 C ATOM 931 C LYS A 62 0.416 5.827 4.887 1.00 0.00 C ATOM 932 O LYS A 62 0.573 5.365 3.757 1.00 0.00 O ATOM 933 CB LYS A 62 2.254 4.952 6.339 1.00 0.00 C ATOM 934 CG LYS A 62 2.996 4.145 5.287 1.00 0.00 C ATOM 935 CD LYS A 62 4.476 4.489 5.263 1.00 0.00 C ATOM 936 CE LYS A 62 5.172 3.872 4.059 1.00 0.00 C ATOM 937 NZ LYS A 62 5.059 4.735 2.851 1.00 0.00 N ATOM 0 H LYS A 62 0.246 3.265 5.047 1.00 0.00 H new ATOM 0 HA LYS A 62 0.269 5.462 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.641 5.971 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.460 4.529 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.872 3.081 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.561 4.336 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.599 5.572 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.948 4.134 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.224 3.709 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.737 2.895 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.313 4.184 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.082 5.078 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.704 5.546 2.942 1.00 0.00 H new ATOM 951 N SER A 63 -0.036 7.057 5.109 1.00 0.00 N ATOM 952 CA SER A 63 -0.384 7.953 4.012 1.00 0.00 C ATOM 953 C SER A 63 0.774 8.082 3.027 1.00 0.00 C ATOM 954 O SER A 63 0.588 8.496 1.884 1.00 0.00 O ATOM 955 CB SER A 63 -0.763 9.333 4.554 1.00 0.00 C ATOM 956 OG SER A 63 0.288 9.883 5.329 1.00 0.00 O ATOM 0 H SER A 63 -0.170 7.456 6.038 1.00 0.00 H new ATOM 0 HA SER A 63 -1.239 7.529 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.996 10.001 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.664 9.253 5.162 1.00 0.00 H new ATOM 0 HG SER A 63 0.022 10.765 5.662 1.00 0.00 H new ATOM 962 N GLY A 64 1.971 7.723 3.480 1.00 0.00 N ATOM 963 CA GLY A 64 3.143 7.805 2.628 1.00 0.00 C ATOM 964 C GLY A 64 3.890 9.113 2.794 1.00 0.00 C ATOM 965 O GLY A 64 3.425 10.039 3.459 1.00 0.00 O ATOM 0 H GLY A 64 2.150 7.377 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.813 6.976 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.840 7.693 1.587 1.00 0.00 H new ATOM 969 N PRO A 65 5.079 9.202 2.180 1.00 0.00 N ATOM 970 CA PRO A 65 5.919 10.401 2.250 1.00 0.00 C ATOM 971 C PRO A 65 5.322 11.572 1.476 1.00 0.00 C ATOM 972 O PRO A 65 5.267 12.696 1.976 1.00 0.00 O ATOM 973 CB PRO A 65 7.234 9.952 1.609 1.00 0.00 C ATOM 974 CG PRO A 65 6.851 8.832 0.704 1.00 0.00 C ATOM 975 CD PRO A 65 5.696 8.138 1.370 1.00 0.00 C ATOM 0 HA PRO A 65 6.029 10.762 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.703 10.766 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.950 9.625 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.567 9.205 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.686 8.147 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.996 7.732 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.030 7.305 1.988 1.00 0.00 H new ATOM 983 N SER A 66 4.876 11.302 0.254 1.00 0.00 N ATOM 984 CA SER A 66 4.286 12.334 -0.591 1.00 0.00 C ATOM 985 C SER A 66 2.788 12.459 -0.329 1.00 0.00 C ATOM 986 O SER A 66 2.104 11.465 -0.087 1.00 0.00 O ATOM 987 CB SER A 66 4.533 12.018 -2.067 1.00 0.00 C ATOM 988 OG SER A 66 3.680 12.782 -2.902 1.00 0.00 O ATOM 0 H SER A 66 4.912 10.377 -0.174 1.00 0.00 H new ATOM 0 HA SER A 66 4.761 13.284 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.573 12.226 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.368 10.956 -2.247 1.00 0.00 H new ATOM 0 HG SER A 66 3.859 12.563 -3.840 1.00 0.00 H new ATOM 994 N SER A 67 2.286 13.689 -0.380 1.00 0.00 N ATOM 995 CA SER A 67 0.870 13.947 -0.145 1.00 0.00 C ATOM 996 C SER A 67 0.105 14.019 -1.463 1.00 0.00 C ATOM 997 O SER A 67 0.005 15.079 -2.079 1.00 0.00 O ATOM 998 CB SER A 67 0.690 15.251 0.634 1.00 0.00 C ATOM 999 OG SER A 67 -0.675 15.628 0.688 1.00 0.00 O ATOM 0 H SER A 67 2.839 14.522 -0.582 1.00 0.00 H new ATOM 0 HA SER A 67 0.468 13.122 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.078 15.131 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.271 16.043 0.162 1.00 0.00 H new ATOM 0 HG SER A 67 -0.764 16.464 1.192 1.00 0.00 H new ATOM 1005 N GLY A 68 -0.434 12.881 -1.890 1.00 0.00 N ATOM 1006 CA GLY A 68 -1.184 12.835 -3.132 1.00 0.00 C ATOM 1007 C GLY A 68 -1.983 14.100 -3.374 1.00 0.00 C ATOM 1008 O GLY A 68 -2.014 14.619 -4.490 1.00 0.00 O ATOM 0 H GLY A 68 -0.365 11.990 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.496 12.679 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.860 11.980 -3.113 1.00 0.00 H new TER 1012 GLY A 68