USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.3 (180deg=-0.00786) USER MOD Single : A 5 MET CE :methyl 172:sc= 0 (180deg=-0.0941) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 30:sc= 0.755 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.064 X(o=-0.064,f=-0.046) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0995 X(o=-0.1,f=-0.21) USER MOD Single : A 35 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -59:sc= 1.06 USER MOD Single : A 54 THR OG1 : rot -6:sc= 0.43! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.041) USER MOD Single : A 63 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.01) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 66 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.85) USER MOD Single : A 67 THR OG1 : rot -15:sc= 0.316 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.386 -12.845 15.426 1.00 0.00 N ATOM 2 CA MET A 1 -33.495 -11.906 15.434 1.00 0.00 C ATOM 3 C MET A 1 -33.245 -10.771 16.429 1.00 0.00 C ATOM 4 O MET A 1 -32.502 -10.939 17.394 1.00 0.00 O ATOM 5 CB MET A 1 -34.783 -12.641 15.810 1.00 0.00 C ATOM 6 CG MET A 1 -35.236 -13.568 14.680 1.00 0.00 C ATOM 7 SD MET A 1 -34.820 -15.258 15.074 1.00 0.00 S ATOM 8 CE MET A 1 -36.413 -15.851 15.620 1.00 0.00 C ATOM 0 H1 MET A 1 -32.753 -13.817 15.476 1.00 0.00 H new ATOM 0 H2 MET A 1 -31.837 -12.727 14.551 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.772 -12.665 16.246 1.00 0.00 H new ATOM 0 HA MET A 1 -33.590 -11.475 14.437 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.623 -13.221 16.719 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.568 -11.917 16.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.312 -13.475 14.531 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.758 -13.276 13.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 -36.332 -16.900 15.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.745 -15.265 16.477 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.136 -15.750 14.810 1.00 0.00 H new ATOM 18 N GLU A 2 -33.880 -9.640 16.158 1.00 0.00 N ATOM 19 CA GLU A 2 -33.736 -8.477 17.017 1.00 0.00 C ATOM 20 C GLU A 2 -34.393 -8.735 18.375 1.00 0.00 C ATOM 21 O GLU A 2 -35.383 -8.092 18.721 1.00 0.00 O ATOM 22 CB GLU A 2 -34.321 -7.229 16.353 1.00 0.00 C ATOM 23 CG GLU A 2 -35.686 -7.527 15.731 1.00 0.00 C ATOM 24 CD GLU A 2 -36.667 -6.381 15.986 1.00 0.00 C ATOM 25 OE1 GLU A 2 -36.515 -5.642 16.970 1.00 0.00 O ATOM 26 OE2 GLU A 2 -37.615 -6.271 15.117 1.00 0.00 O ATOM 0 H GLU A 2 -34.495 -9.504 15.356 1.00 0.00 H new ATOM 0 HA GLU A 2 -32.673 -8.298 17.178 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -34.420 -6.433 17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -33.638 -6.868 15.584 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -35.574 -7.683 14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -36.085 -8.452 16.148 1.00 0.00 H new ATOM 34 N VAL A 3 -33.816 -9.677 19.106 1.00 0.00 N ATOM 35 CA VAL A 3 -34.333 -10.028 20.418 1.00 0.00 C ATOM 36 C VAL A 3 -35.838 -10.287 20.315 1.00 0.00 C ATOM 37 O VAL A 3 -36.418 -10.175 19.237 1.00 0.00 O ATOM 38 CB VAL A 3 -33.982 -8.934 21.429 1.00 0.00 C ATOM 39 CG1 VAL A 3 -34.863 -7.699 21.229 1.00 0.00 C ATOM 40 CG2 VAL A 3 -34.089 -9.458 22.862 1.00 0.00 C ATOM 0 H VAL A 3 -32.995 -10.208 18.815 1.00 0.00 H new ATOM 0 HA VAL A 3 -33.869 -10.946 20.779 1.00 0.00 H new ATOM 0 HB VAL A 3 -32.947 -8.638 21.257 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -34.593 -6.937 21.960 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -34.715 -7.306 20.223 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -35.910 -7.973 21.361 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -33.834 -8.661 23.561 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -35.108 -9.795 23.051 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -33.401 -10.292 22.997 1.00 0.00 H new ATOM 50 N ALA A 4 -36.426 -10.627 21.453 1.00 0.00 N ATOM 51 CA ALA A 4 -37.852 -10.902 21.505 1.00 0.00 C ATOM 52 C ALA A 4 -38.625 -9.636 21.132 1.00 0.00 C ATOM 53 O ALA A 4 -38.088 -8.532 21.205 1.00 0.00 O ATOM 54 CB ALA A 4 -38.221 -11.423 22.895 1.00 0.00 C ATOM 0 H ALA A 4 -35.941 -10.718 22.346 1.00 0.00 H new ATOM 0 HA ALA A 4 -38.120 -11.676 20.785 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -39.291 -11.629 22.934 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -37.667 -12.339 23.099 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -37.969 -10.672 23.644 1.00 0.00 H new ATOM 60 N MET A 5 -39.875 -9.838 20.741 1.00 0.00 N ATOM 61 CA MET A 5 -40.728 -8.726 20.357 1.00 0.00 C ATOM 62 C MET A 5 -40.861 -7.717 21.499 1.00 0.00 C ATOM 63 O MET A 5 -40.549 -8.029 22.647 1.00 0.00 O ATOM 64 CB MET A 5 -42.113 -9.253 19.976 1.00 0.00 C ATOM 65 CG MET A 5 -42.739 -8.400 18.871 1.00 0.00 C ATOM 66 SD MET A 5 -43.382 -9.450 17.579 1.00 0.00 S ATOM 67 CE MET A 5 -44.712 -10.248 18.461 1.00 0.00 C ATOM 0 H MET A 5 -40.317 -10.755 20.682 1.00 0.00 H new ATOM 0 HA MET A 5 -40.274 -8.222 19.504 1.00 0.00 H new ATOM 0 HB2 MET A 5 -42.033 -10.287 19.641 1.00 0.00 H new ATOM 0 HB3 MET A 5 -42.761 -9.251 20.853 1.00 0.00 H new ATOM 0 HG2 MET A 5 -43.539 -7.786 19.284 1.00 0.00 H new ATOM 0 HG3 MET A 5 -41.994 -7.719 18.460 1.00 0.00 H new ATOM 0 HE1 MET A 5 -45.311 -10.834 17.764 1.00 0.00 H new ATOM 0 HE2 MET A 5 -44.298 -10.905 19.226 1.00 0.00 H new ATOM 0 HE3 MET A 5 -45.340 -9.493 18.933 1.00 0.00 H new ATOM 77 N VAL A 6 -41.326 -6.528 21.145 1.00 0.00 N ATOM 78 CA VAL A 6 -41.505 -5.472 22.126 1.00 0.00 C ATOM 79 C VAL A 6 -42.882 -5.615 22.779 1.00 0.00 C ATOM 80 O VAL A 6 -43.779 -6.236 22.212 1.00 0.00 O ATOM 81 CB VAL A 6 -41.294 -4.106 21.470 1.00 0.00 C ATOM 82 CG1 VAL A 6 -40.956 -3.041 22.515 1.00 0.00 C ATOM 83 CG2 VAL A 6 -40.212 -4.178 20.391 1.00 0.00 C ATOM 0 H VAL A 6 -41.584 -6.273 20.192 1.00 0.00 H new ATOM 0 HA VAL A 6 -40.760 -5.556 22.917 1.00 0.00 H new ATOM 0 HB VAL A 6 -42.229 -3.818 20.989 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -40.811 -2.080 22.021 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -41.774 -2.961 23.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -40.042 -3.322 23.038 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -40.082 -3.194 19.940 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -39.272 -4.499 20.839 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -40.511 -4.892 19.623 1.00 0.00 H new ATOM 93 N SER A 7 -43.005 -5.030 23.961 1.00 0.00 N ATOM 94 CA SER A 7 -44.257 -5.085 24.697 1.00 0.00 C ATOM 95 C SER A 7 -45.368 -4.412 23.889 1.00 0.00 C ATOM 96 O SER A 7 -45.161 -3.348 23.308 1.00 0.00 O ATOM 97 CB SER A 7 -44.120 -4.420 26.067 1.00 0.00 C ATOM 98 OG SER A 7 -43.456 -5.262 27.006 1.00 0.00 O ATOM 0 H SER A 7 -42.258 -4.515 24.428 1.00 0.00 H new ATOM 0 HA SER A 7 -44.515 -6.132 24.856 1.00 0.00 H new ATOM 0 HB2 SER A 7 -43.567 -3.486 25.963 1.00 0.00 H new ATOM 0 HB3 SER A 7 -45.109 -4.164 26.446 1.00 0.00 H new ATOM 0 HG SER A 7 -43.387 -4.800 27.868 1.00 0.00 H new ATOM 104 N ALA A 8 -46.523 -5.061 23.877 1.00 0.00 N ATOM 105 CA ALA A 8 -47.667 -4.538 23.150 1.00 0.00 C ATOM 106 C ALA A 8 -48.361 -3.470 23.998 1.00 0.00 C ATOM 107 O ALA A 8 -49.162 -3.791 24.875 1.00 0.00 O ATOM 108 CB ALA A 8 -48.606 -5.688 22.779 1.00 0.00 C ATOM 0 H ALA A 8 -46.691 -5.944 24.359 1.00 0.00 H new ATOM 0 HA ALA A 8 -47.347 -4.065 22.221 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -49.464 -5.295 22.234 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -48.074 -6.404 22.152 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -48.949 -6.185 23.687 1.00 0.00 H new ATOM 114 N GLU A 9 -48.028 -2.221 23.707 1.00 0.00 N ATOM 115 CA GLU A 9 -48.608 -1.103 24.433 1.00 0.00 C ATOM 116 C GLU A 9 -50.131 -1.104 24.279 1.00 0.00 C ATOM 117 O GLU A 9 -50.668 -1.766 23.392 1.00 0.00 O ATOM 118 CB GLU A 9 -48.011 0.225 23.963 1.00 0.00 C ATOM 119 CG GLU A 9 -47.394 0.992 25.134 1.00 0.00 C ATOM 120 CD GLU A 9 -47.789 2.469 25.091 1.00 0.00 C ATOM 121 OE1 GLU A 9 -48.148 2.984 24.021 1.00 0.00 O ATOM 122 OE2 GLU A 9 -47.716 3.087 26.221 1.00 0.00 O ATOM 0 H GLU A 9 -47.364 -1.958 22.979 1.00 0.00 H new ATOM 0 HA GLU A 9 -48.368 -1.218 25.490 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -47.251 0.038 23.205 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -48.786 0.831 23.494 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -47.722 0.551 26.075 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -46.308 0.901 25.101 1.00 0.00 H new ATOM 130 N SER A 10 -50.782 -0.356 25.156 1.00 0.00 N ATOM 131 CA SER A 10 -52.232 -0.262 25.129 1.00 0.00 C ATOM 132 C SER A 10 -52.661 0.995 24.370 1.00 0.00 C ATOM 133 O SER A 10 -52.408 2.112 24.819 1.00 0.00 O ATOM 134 CB SER A 10 -52.810 -0.250 26.546 1.00 0.00 C ATOM 135 OG SER A 10 -52.429 0.919 27.267 1.00 0.00 O ATOM 0 H SER A 10 -50.333 0.191 25.890 1.00 0.00 H new ATOM 0 HA SER A 10 -52.622 -1.140 24.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 -53.897 -0.306 26.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 -52.470 -1.135 27.084 1.00 0.00 H new ATOM 0 HG SER A 10 -52.310 1.664 26.642 1.00 0.00 H new ATOM 141 N SER A 11 -53.303 0.771 23.233 1.00 0.00 N ATOM 142 CA SER A 11 -53.770 1.872 22.407 1.00 0.00 C ATOM 143 C SER A 11 -52.576 2.634 21.829 1.00 0.00 C ATOM 144 O SER A 11 -51.495 2.638 22.415 1.00 0.00 O ATOM 145 CB SER A 11 -54.668 2.818 23.207 1.00 0.00 C ATOM 146 OG SER A 11 -55.738 3.331 22.419 1.00 0.00 O ATOM 0 H SER A 11 -53.511 -0.157 22.864 1.00 0.00 H new ATOM 0 HA SER A 11 -54.361 1.460 21.589 1.00 0.00 H new ATOM 0 HB2 SER A 11 -55.074 2.290 24.070 1.00 0.00 H new ATOM 0 HB3 SER A 11 -54.072 3.645 23.592 1.00 0.00 H new ATOM 0 HG SER A 11 -56.289 3.929 22.966 1.00 0.00 H new ATOM 152 N GLY A 12 -52.813 3.263 20.687 1.00 0.00 N ATOM 153 CA GLY A 12 -51.771 4.027 20.023 1.00 0.00 C ATOM 154 C GLY A 12 -51.289 3.313 18.759 1.00 0.00 C ATOM 155 O GLY A 12 -50.689 2.242 18.837 1.00 0.00 O ATOM 0 H GLY A 12 -53.712 3.259 20.205 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -52.149 5.016 19.765 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -50.933 4.174 20.704 1.00 0.00 H new ATOM 159 N CYS A 13 -51.568 3.936 17.623 1.00 0.00 N ATOM 160 CA CYS A 13 -51.170 3.374 16.344 1.00 0.00 C ATOM 161 C CYS A 13 -51.545 1.890 16.333 1.00 0.00 C ATOM 162 O CYS A 13 -50.699 1.035 16.077 1.00 0.00 O ATOM 163 CB CYS A 13 -49.680 3.588 16.071 1.00 0.00 C ATOM 164 SG CYS A 13 -49.446 5.033 14.973 1.00 0.00 S ATOM 0 H CYS A 13 -52.065 4.825 17.562 1.00 0.00 H new ATOM 0 HA CYS A 13 -51.697 3.887 15.539 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -49.149 3.744 17.010 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -49.255 2.697 15.609 1.00 0.00 H new ATOM 0 HG CYS A 13 -48.177 5.207 14.749 1.00 0.00 H new ATOM 170 N ASN A 14 -52.813 1.631 16.615 1.00 0.00 N ATOM 171 CA ASN A 14 -53.310 0.266 16.641 1.00 0.00 C ATOM 172 C ASN A 14 -54.135 0.004 15.380 1.00 0.00 C ATOM 173 O ASN A 14 -54.998 -0.872 15.369 1.00 0.00 O ATOM 174 CB ASN A 14 -54.214 0.032 17.854 1.00 0.00 C ATOM 175 CG ASN A 14 -53.550 -0.912 18.858 1.00 0.00 C ATOM 176 OD1 ASN A 14 -52.757 -0.512 19.695 1.00 0.00 O ATOM 177 ND2 ASN A 14 -53.918 -2.183 18.730 1.00 0.00 N ATOM 0 H ASN A 14 -53.511 2.343 16.828 1.00 0.00 H new ATOM 0 HA ASN A 14 -52.452 -0.404 16.695 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -54.435 0.984 18.336 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -55.165 -0.389 17.528 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -53.532 -2.891 19.354 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -54.587 -2.450 18.007 1.00 0.00 H new ATOM 184 N SER A 15 -53.838 0.778 14.346 1.00 0.00 N ATOM 185 CA SER A 15 -54.541 0.640 13.082 1.00 0.00 C ATOM 186 C SER A 15 -53.538 0.436 11.945 1.00 0.00 C ATOM 187 O SER A 15 -53.398 1.294 11.075 1.00 0.00 O ATOM 188 CB SER A 15 -55.418 1.862 12.803 1.00 0.00 C ATOM 189 OG SER A 15 -56.600 1.865 13.599 1.00 0.00 O ATOM 0 H SER A 15 -53.120 1.503 14.358 1.00 0.00 H new ATOM 0 HA SER A 15 -55.191 -0.233 13.146 1.00 0.00 H new ATOM 0 HB2 SER A 15 -54.847 2.770 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 15 -55.692 1.878 11.748 1.00 0.00 H new ATOM 0 HG SER A 15 -57.132 2.662 13.392 1.00 0.00 H new ATOM 195 N HIS A 16 -52.866 -0.705 11.989 1.00 0.00 N ATOM 196 CA HIS A 16 -51.880 -1.033 10.973 1.00 0.00 C ATOM 197 C HIS A 16 -50.893 0.127 10.823 1.00 0.00 C ATOM 198 O HIS A 16 -51.025 0.945 9.914 1.00 0.00 O ATOM 199 CB HIS A 16 -52.561 -1.406 9.655 1.00 0.00 C ATOM 200 CG HIS A 16 -51.605 -1.601 8.503 1.00 0.00 C ATOM 201 ND1 HIS A 16 -51.903 -1.217 7.208 1.00 0.00 N ATOM 202 CD2 HIS A 16 -50.353 -2.143 8.466 1.00 0.00 C ATOM 203 CE1 HIS A 16 -50.871 -1.520 6.434 1.00 0.00 C ATOM 204 NE2 HIS A 16 -49.912 -2.094 7.215 1.00 0.00 N ATOM 0 H HIS A 16 -52.985 -1.414 12.712 1.00 0.00 H new ATOM 0 HA HIS A 16 -51.312 -1.911 11.282 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -53.131 -2.324 9.800 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -53.275 -0.625 9.393 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -49.813 -2.544 9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -50.802 -1.343 5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -49.005 -2.430 6.891 1.00 0.00 H new ATOM 212 N MET A 17 -49.927 0.160 11.729 1.00 0.00 N ATOM 213 CA MET A 17 -48.918 1.206 11.709 1.00 0.00 C ATOM 214 C MET A 17 -47.721 0.797 10.848 1.00 0.00 C ATOM 215 O MET A 17 -47.448 -0.391 10.683 1.00 0.00 O ATOM 216 CB MET A 17 -48.447 1.488 13.137 1.00 0.00 C ATOM 217 CG MET A 17 -47.764 0.260 13.742 1.00 0.00 C ATOM 218 SD MET A 17 -46.851 0.727 15.203 1.00 0.00 S ATOM 219 CE MET A 17 -47.361 -0.572 16.316 1.00 0.00 C ATOM 0 H MET A 17 -49.821 -0.520 12.482 1.00 0.00 H new ATOM 0 HA MET A 17 -49.361 2.104 11.279 1.00 0.00 H new ATOM 0 HB2 MET A 17 -47.755 2.330 13.136 1.00 0.00 H new ATOM 0 HB3 MET A 17 -49.298 1.776 13.754 1.00 0.00 H new ATOM 0 HG2 MET A 17 -48.510 -0.494 13.995 1.00 0.00 H new ATOM 0 HG3 MET A 17 -47.092 -0.189 13.011 1.00 0.00 H new ATOM 0 HE1 MET A 17 -46.879 -0.432 17.284 1.00 0.00 H new ATOM 0 HE2 MET A 17 -48.443 -0.540 16.441 1.00 0.00 H new ATOM 0 HE3 MET A 17 -47.072 -1.539 15.904 1.00 0.00 H new ATOM 229 N PRO A 18 -47.023 1.831 10.307 1.00 0.00 N ATOM 230 CA PRO A 18 -45.862 1.591 9.467 1.00 0.00 C ATOM 231 C PRO A 18 -44.654 1.169 10.307 1.00 0.00 C ATOM 232 O PRO A 18 -43.769 1.978 10.578 1.00 0.00 O ATOM 233 CB PRO A 18 -45.639 2.896 8.721 1.00 0.00 C ATOM 234 CG PRO A 18 -46.389 3.959 9.508 1.00 0.00 C ATOM 235 CD PRO A 18 -47.318 3.250 10.480 1.00 0.00 C ATOM 0 HA PRO A 18 -46.012 0.768 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.577 3.133 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.012 2.830 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -45.690 4.600 10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.958 4.601 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -47.136 3.570 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -48.363 3.467 10.259 1.00 0.00 H new ATOM 243 N TYR A 19 -44.658 -0.098 10.695 1.00 0.00 N ATOM 244 CA TYR A 19 -43.574 -0.637 11.498 1.00 0.00 C ATOM 245 C TYR A 19 -42.456 -1.189 10.612 1.00 0.00 C ATOM 246 O TYR A 19 -42.458 -2.370 10.266 1.00 0.00 O ATOM 247 CB TYR A 19 -44.180 -1.785 12.308 1.00 0.00 C ATOM 248 CG TYR A 19 -43.469 -2.054 13.636 1.00 0.00 C ATOM 249 CD1 TYR A 19 -43.430 -1.075 14.608 1.00 0.00 C ATOM 250 CD2 TYR A 19 -42.866 -3.275 13.862 1.00 0.00 C ATOM 251 CE1 TYR A 19 -42.761 -1.327 15.858 1.00 0.00 C ATOM 252 CE2 TYR A 19 -42.197 -3.527 15.111 1.00 0.00 C ATOM 253 CZ TYR A 19 -42.177 -2.541 16.048 1.00 0.00 C ATOM 254 OH TYR A 19 -41.545 -2.780 17.228 1.00 0.00 O ATOM 0 H TYR A 19 -45.394 -0.766 10.468 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.143 0.139 12.130 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -45.228 -1.561 12.508 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -44.157 -2.693 11.705 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.901 -0.120 14.431 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.896 -4.041 13.101 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -42.724 -0.570 16.627 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.721 -4.478 15.300 1.00 0.00 H new ATOM 0 HH TYR A 19 -41.176 -3.688 17.223 1.00 0.00 H new ATOM 264 N GLY A 20 -41.527 -0.309 10.269 1.00 0.00 N ATOM 265 CA GLY A 20 -40.405 -0.693 9.429 1.00 0.00 C ATOM 266 C GLY A 20 -39.238 0.282 9.594 1.00 0.00 C ATOM 267 O GLY A 20 -38.550 0.265 10.613 1.00 0.00 O ATOM 0 H GLY A 20 -41.528 0.669 10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.081 -1.701 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.719 -0.717 8.385 1.00 0.00 H new ATOM 271 N TYR A 21 -39.050 1.108 8.575 1.00 0.00 N ATOM 272 CA TYR A 21 -37.977 2.088 8.595 1.00 0.00 C ATOM 273 C TYR A 21 -38.100 3.012 9.808 1.00 0.00 C ATOM 274 O TYR A 21 -37.148 3.704 10.164 1.00 0.00 O ATOM 275 CB TYR A 21 -38.140 2.917 7.319 1.00 0.00 C ATOM 276 CG TYR A 21 -39.472 3.665 7.229 1.00 0.00 C ATOM 277 CD1 TYR A 21 -39.638 4.860 7.900 1.00 0.00 C ATOM 278 CD2 TYR A 21 -40.506 3.146 6.478 1.00 0.00 C ATOM 279 CE1 TYR A 21 -40.891 5.564 7.815 1.00 0.00 C ATOM 280 CE2 TYR A 21 -41.759 3.850 6.393 1.00 0.00 C ATOM 281 CZ TYR A 21 -41.890 5.025 7.066 1.00 0.00 C ATOM 282 OH TYR A 21 -43.073 5.690 6.986 1.00 0.00 O ATOM 0 H TYR A 21 -39.622 1.119 7.731 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.007 1.594 8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.325 3.639 7.260 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.046 2.258 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -38.829 5.266 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -40.376 2.211 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -41.034 6.500 8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -42.576 3.454 5.808 1.00 0.00 H new ATOM 0 HH TYR A 21 -43.693 5.188 6.416 1.00 0.00 H new ATOM 292 N ALA A 22 -39.281 2.992 10.409 1.00 0.00 N ATOM 293 CA ALA A 22 -39.541 3.819 11.575 1.00 0.00 C ATOM 294 C ALA A 22 -38.760 3.269 12.770 1.00 0.00 C ATOM 295 O ALA A 22 -38.203 4.032 13.557 1.00 0.00 O ATOM 296 CB ALA A 22 -41.047 3.872 11.838 1.00 0.00 C ATOM 0 H ALA A 22 -40.068 2.416 10.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.204 4.841 11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -41.242 4.492 12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.553 4.297 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.421 2.864 12.018 1.00 0.00 H new ATOM 302 N ALA A 23 -38.743 1.947 12.868 1.00 0.00 N ATOM 303 CA ALA A 23 -38.040 1.286 13.954 1.00 0.00 C ATOM 304 C ALA A 23 -36.596 1.012 13.528 1.00 0.00 C ATOM 305 O ALA A 23 -35.867 0.299 14.215 1.00 0.00 O ATOM 306 CB ALA A 23 -38.786 0.008 14.342 1.00 0.00 C ATOM 0 H ALA A 23 -39.205 1.316 12.213 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.008 1.925 14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.259 -0.488 15.157 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.796 0.260 14.664 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.835 -0.660 13.482 1.00 0.00 H new ATOM 312 N GLN A 24 -36.226 1.593 12.396 1.00 0.00 N ATOM 313 CA GLN A 24 -34.883 1.420 11.870 1.00 0.00 C ATOM 314 C GLN A 24 -33.957 2.511 12.411 1.00 0.00 C ATOM 315 O GLN A 24 -32.764 2.521 12.113 1.00 0.00 O ATOM 316 CB GLN A 24 -34.889 1.415 10.340 1.00 0.00 C ATOM 317 CG GLN A 24 -35.297 0.044 9.797 1.00 0.00 C ATOM 318 CD GLN A 24 -34.136 -0.948 9.888 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.033 -0.697 9.430 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.445 -2.087 10.502 1.00 0.00 N ATOM 0 H GLN A 24 -36.833 2.184 11.828 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.506 0.453 12.202 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.579 2.175 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.898 1.677 9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -36.150 -0.335 10.360 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.618 0.140 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.388 -2.233 10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -33.739 -2.815 10.613 1.00 0.00 H new ATOM 329 N ALA A 25 -34.542 3.402 13.197 1.00 0.00 N ATOM 330 CA ALA A 25 -33.784 4.495 13.783 1.00 0.00 C ATOM 331 C ALA A 25 -32.677 3.924 14.671 1.00 0.00 C ATOM 332 O ALA A 25 -31.698 4.607 14.967 1.00 0.00 O ATOM 333 CB ALA A 25 -34.730 5.419 14.552 1.00 0.00 C ATOM 0 H ALA A 25 -35.532 3.390 13.442 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.308 5.091 13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.161 6.238 14.991 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.479 5.822 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.225 4.856 15.343 1.00 0.00 H new ATOM 339 N ARG A 26 -32.870 2.675 15.072 1.00 0.00 N ATOM 340 CA ARG A 26 -31.900 2.004 15.921 1.00 0.00 C ATOM 341 C ARG A 26 -30.641 1.662 15.122 1.00 0.00 C ATOM 342 O ARG A 26 -29.541 1.638 15.670 1.00 0.00 O ATOM 343 CB ARG A 26 -32.483 0.721 16.515 1.00 0.00 C ATOM 344 CG ARG A 26 -32.216 0.642 18.020 1.00 0.00 C ATOM 345 CD ARG A 26 -33.494 0.909 18.818 1.00 0.00 C ATOM 346 NE ARG A 26 -33.562 0.000 19.984 1.00 0.00 N ATOM 347 CZ ARG A 26 -34.707 -0.339 20.613 1.00 0.00 C ATOM 348 NH1 ARG A 26 -35.892 0.156 20.194 1.00 0.00 N ATOM 349 NH2 ARG A 26 -34.652 -1.160 21.645 1.00 0.00 N ATOM 0 H ARG A 26 -33.683 2.111 14.825 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.645 2.684 16.734 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.557 0.686 16.330 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.046 -0.145 16.019 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.825 -0.344 18.272 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.452 1.369 18.296 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.513 1.946 19.153 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -34.367 0.764 18.182 1.00 0.00 H new ATOM 0 HE ARG A 26 -32.689 -0.395 20.334 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -35.926 0.791 19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -36.753 -0.105 20.675 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -33.753 -1.528 21.956 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -35.508 -1.426 22.131 1.00 0.00 H new ATOM 362 N ALA A 27 -30.846 1.405 13.838 1.00 0.00 N ATOM 363 CA ALA A 27 -29.741 1.065 12.957 1.00 0.00 C ATOM 364 C ALA A 27 -28.869 2.303 12.740 1.00 0.00 C ATOM 365 O ALA A 27 -27.659 2.188 12.547 1.00 0.00 O ATOM 366 CB ALA A 27 -30.289 0.500 11.645 1.00 0.00 C ATOM 0 H ALA A 27 -31.761 1.425 13.387 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.114 0.295 13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.460 0.245 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.877 -0.394 11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.921 1.246 11.163 1.00 0.00 H new ATOM 372 N ARG A 28 -29.516 3.458 12.779 1.00 0.00 N ATOM 373 CA ARG A 28 -28.814 4.716 12.588 1.00 0.00 C ATOM 374 C ARG A 28 -27.769 4.913 13.689 1.00 0.00 C ATOM 375 O ARG A 28 -26.733 5.535 13.461 1.00 0.00 O ATOM 376 CB ARG A 28 -29.787 5.897 12.602 1.00 0.00 C ATOM 377 CG ARG A 28 -29.265 7.046 11.736 1.00 0.00 C ATOM 378 CD ARG A 28 -30.128 7.225 10.485 1.00 0.00 C ATOM 379 NE ARG A 28 -29.358 7.931 9.436 1.00 0.00 N ATOM 380 CZ ARG A 28 -28.357 7.369 8.725 1.00 0.00 C ATOM 381 NH1 ARG A 28 -27.996 6.087 8.944 1.00 0.00 N ATOM 382 NH2 ARG A 28 -27.737 8.093 7.812 1.00 0.00 N ATOM 0 H ARG A 28 -30.519 3.549 12.940 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.321 4.677 11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.762 5.574 12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.930 6.244 13.626 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.261 7.970 12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.233 6.848 11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.454 6.253 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.027 7.791 10.731 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.599 8.902 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -28.481 5.534 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -27.239 5.671 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -28.016 9.061 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -26.979 7.684 7.266 1.00 0.00 H new ATOM 395 N GLU A 29 -28.078 4.371 14.858 1.00 0.00 N ATOM 396 CA GLU A 29 -27.179 4.479 15.994 1.00 0.00 C ATOM 397 C GLU A 29 -26.068 3.432 15.892 1.00 0.00 C ATOM 398 O GLU A 29 -24.984 3.616 16.444 1.00 0.00 O ATOM 399 CB GLU A 29 -27.942 4.343 17.312 1.00 0.00 C ATOM 400 CG GLU A 29 -27.422 5.337 18.353 1.00 0.00 C ATOM 401 CD GLU A 29 -28.577 6.071 19.036 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.799 5.891 20.242 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.256 6.854 18.267 1.00 0.00 O ATOM 0 H GLU A 29 -28.939 3.856 15.043 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.722 5.468 15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.005 4.514 17.140 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.840 3.327 17.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.829 4.809 19.100 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -26.761 6.059 17.873 1.00 0.00 H new ATOM 411 N ARG A 30 -26.375 2.356 15.184 1.00 0.00 N ATOM 412 CA ARG A 30 -25.416 1.279 15.003 1.00 0.00 C ATOM 413 C ARG A 30 -24.575 1.523 13.749 1.00 0.00 C ATOM 414 O ARG A 30 -23.425 1.092 13.675 1.00 0.00 O ATOM 415 CB ARG A 30 -26.123 -0.072 14.880 1.00 0.00 C ATOM 416 CG ARG A 30 -26.180 -0.786 16.232 1.00 0.00 C ATOM 417 CD ARG A 30 -27.435 -0.386 17.010 1.00 0.00 C ATOM 418 NE ARG A 30 -27.533 -1.181 18.255 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.714 -1.029 19.317 1.00 0.00 C ATOM 420 NH1 ARG A 30 -25.727 -0.108 19.295 1.00 0.00 N ATOM 421 NH2 ARG A 30 -26.893 -1.794 20.378 1.00 0.00 N ATOM 0 H ARG A 30 -27.275 2.206 14.728 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.769 1.259 15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.134 0.076 14.500 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.599 -0.696 14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.172 -1.865 16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -25.292 -0.540 16.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.401 0.677 17.249 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.321 -0.547 16.395 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.266 -1.888 18.314 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.596 0.479 18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.113 0.000 20.102 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -27.641 -2.487 20.387 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.283 -1.692 21.189 1.00 0.00 H new ATOM 434 N GLU A 31 -25.180 2.214 12.794 1.00 0.00 N ATOM 435 CA GLU A 31 -24.500 2.521 11.547 1.00 0.00 C ATOM 436 C GLU A 31 -23.312 3.451 11.804 1.00 0.00 C ATOM 437 O GLU A 31 -22.362 3.481 11.024 1.00 0.00 O ATOM 438 CB GLU A 31 -25.466 3.134 10.532 1.00 0.00 C ATOM 439 CG GLU A 31 -24.973 2.910 9.101 1.00 0.00 C ATOM 440 CD GLU A 31 -24.141 4.099 8.616 1.00 0.00 C ATOM 441 OE1 GLU A 31 -24.647 5.230 8.565 1.00 0.00 O ATOM 442 OE2 GLU A 31 -22.927 3.816 8.286 1.00 0.00 O ATOM 0 H GLU A 31 -26.134 2.570 12.859 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.122 1.590 11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.455 2.692 10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.569 4.202 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.374 2.000 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -25.825 2.763 8.438 1.00 0.00 H new ATOM 450 N ARG A 32 -23.406 4.187 12.902 1.00 0.00 N ATOM 451 CA ARG A 32 -22.351 5.116 13.272 1.00 0.00 C ATOM 452 C ARG A 32 -21.029 4.369 13.463 1.00 0.00 C ATOM 453 O ARG A 32 -19.958 4.929 13.239 1.00 0.00 O ATOM 454 CB ARG A 32 -22.700 5.859 14.562 1.00 0.00 C ATOM 455 CG ARG A 32 -22.122 7.276 14.552 1.00 0.00 C ATOM 456 CD ARG A 32 -20.632 7.263 14.901 1.00 0.00 C ATOM 457 NE ARG A 32 -20.230 8.575 15.454 1.00 0.00 N ATOM 458 CZ ARG A 32 -18.949 8.951 15.655 1.00 0.00 C ATOM 459 NH1 ARG A 32 -17.933 8.117 15.347 1.00 0.00 N ATOM 460 NH2 ARG A 32 -18.704 10.148 16.155 1.00 0.00 N ATOM 0 H ARG A 32 -24.196 4.159 13.547 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.249 5.841 12.465 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.783 5.905 14.678 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.311 5.310 15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.265 7.724 13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.661 7.898 15.267 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.427 6.475 15.626 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.044 7.038 14.011 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.967 9.237 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.130 7.194 14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.968 8.409 15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.477 10.773 16.383 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.742 10.448 16.313 1.00 0.00 H new ATOM 473 N LEU A 33 -21.149 3.115 13.875 1.00 0.00 N ATOM 474 CA LEU A 33 -19.977 2.286 14.098 1.00 0.00 C ATOM 475 C LEU A 33 -19.622 1.553 12.803 1.00 0.00 C ATOM 476 O LEU A 33 -18.531 0.997 12.680 1.00 0.00 O ATOM 477 CB LEU A 33 -20.200 1.354 15.291 1.00 0.00 C ATOM 478 CG LEU A 33 -19.138 1.407 16.392 1.00 0.00 C ATOM 479 CD1 LEU A 33 -17.775 0.961 15.860 1.00 0.00 C ATOM 480 CD2 LEU A 33 -19.078 2.797 17.029 1.00 0.00 C ATOM 0 H LEU A 33 -22.040 2.654 14.060 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.118 2.903 14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.167 1.590 15.735 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.260 0.331 14.921 1.00 0.00 H new ATOM 0 HG LEU A 33 -19.423 0.706 17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.038 1.008 16.662 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.845 -0.062 15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.469 1.619 15.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.316 2.808 17.808 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.829 3.536 16.267 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -20.047 3.039 17.466 1.00 0.00 H new ATOM 492 N ALA A 34 -20.563 1.575 11.871 1.00 0.00 N ATOM 493 CA ALA A 34 -20.362 0.920 10.590 1.00 0.00 C ATOM 494 C ALA A 34 -19.560 1.842 9.670 1.00 0.00 C ATOM 495 O ALA A 34 -19.347 1.526 8.500 1.00 0.00 O ATOM 496 CB ALA A 34 -21.719 0.538 9.994 1.00 0.00 C ATOM 0 H ALA A 34 -21.467 2.036 11.977 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.790 0.001 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.569 0.046 9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.236 -0.141 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.320 1.436 9.852 1.00 0.00 H new ATOM 502 N HIS A 35 -19.136 2.964 10.233 1.00 0.00 N ATOM 503 CA HIS A 35 -18.362 3.934 9.478 1.00 0.00 C ATOM 504 C HIS A 35 -16.871 3.625 9.622 1.00 0.00 C ATOM 505 O HIS A 35 -16.046 4.175 8.894 1.00 0.00 O ATOM 506 CB HIS A 35 -18.715 5.361 9.903 1.00 0.00 C ATOM 507 CG HIS A 35 -17.853 6.423 9.265 1.00 0.00 C ATOM 508 ND1 HIS A 35 -17.905 6.720 7.914 1.00 0.00 N ATOM 509 CD2 HIS A 35 -16.919 7.257 9.806 1.00 0.00 C ATOM 510 CE1 HIS A 35 -17.036 7.688 7.664 1.00 0.00 C ATOM 511 NE2 HIS A 35 -16.425 8.019 8.838 1.00 0.00 N ATOM 0 H HIS A 35 -19.314 3.223 11.203 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.613 3.860 8.420 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.758 5.556 9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.627 5.439 10.987 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.630 7.291 10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.845 8.136 6.700 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.707 8.734 8.953 1.00 0.00 H new ATOM 519 N SER A 36 -16.570 2.746 10.566 1.00 0.00 N ATOM 520 CA SER A 36 -15.193 2.356 10.815 1.00 0.00 C ATOM 521 C SER A 36 -14.826 1.147 9.952 1.00 0.00 C ATOM 522 O SER A 36 -13.648 0.879 9.722 1.00 0.00 O ATOM 523 CB SER A 36 -14.969 2.039 12.295 1.00 0.00 C ATOM 524 OG SER A 36 -13.739 2.575 12.776 1.00 0.00 O ATOM 0 H SER A 36 -17.257 2.292 11.168 1.00 0.00 H new ATOM 0 HA SER A 36 -14.548 3.193 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.794 2.443 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.975 0.959 12.439 1.00 0.00 H new ATOM 0 HG SER A 36 -13.634 2.353 13.725 1.00 0.00 H new ATOM 530 N ARG A 37 -15.857 0.450 9.498 1.00 0.00 N ATOM 531 CA ARG A 37 -15.659 -0.724 8.665 1.00 0.00 C ATOM 532 C ARG A 37 -15.626 -0.327 7.188 1.00 0.00 C ATOM 533 O ARG A 37 -15.686 -1.186 6.309 1.00 0.00 O ATOM 534 CB ARG A 37 -16.771 -1.750 8.886 1.00 0.00 C ATOM 535 CG ARG A 37 -16.203 -3.169 8.953 1.00 0.00 C ATOM 536 CD ARG A 37 -16.043 -3.627 10.405 1.00 0.00 C ATOM 537 NE ARG A 37 -15.720 -5.071 10.447 1.00 0.00 N ATOM 538 CZ ARG A 37 -15.185 -5.696 11.517 1.00 0.00 C ATOM 539 NH1 ARG A 37 -14.908 -5.007 12.645 1.00 0.00 N ATOM 540 NH2 ARG A 37 -14.937 -6.990 11.445 1.00 0.00 N ATOM 0 H ARG A 37 -16.833 0.676 9.691 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.706 -1.173 8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.302 -1.523 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.498 -1.683 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.864 -3.855 8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.237 -3.202 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.253 -3.055 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.962 -3.435 10.959 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.914 -5.629 9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.103 -4.007 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.504 -5.487 13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.149 -7.503 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.533 -7.477 12.245 1.00 0.00 H new ATOM 553 N ALA A 38 -15.529 0.975 6.960 1.00 0.00 N ATOM 554 CA ALA A 38 -15.487 1.496 5.604 1.00 0.00 C ATOM 555 C ALA A 38 -14.145 1.134 4.965 1.00 0.00 C ATOM 556 O ALA A 38 -14.102 0.428 3.958 1.00 0.00 O ATOM 557 CB ALA A 38 -15.733 3.005 5.629 1.00 0.00 C ATOM 0 H ALA A 38 -15.478 1.684 7.691 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.273 1.048 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.701 3.396 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.711 3.207 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.962 3.489 6.228 1.00 0.00 H new ATOM 563 N ALA A 39 -13.081 1.635 5.576 1.00 0.00 N ATOM 564 CA ALA A 39 -11.741 1.374 5.079 1.00 0.00 C ATOM 565 C ALA A 39 -11.540 -0.136 4.934 1.00 0.00 C ATOM 566 O ALA A 39 -11.248 -0.625 3.844 1.00 0.00 O ATOM 567 CB ALA A 39 -10.715 2.011 6.018 1.00 0.00 C ATOM 0 H ALA A 39 -13.120 2.220 6.411 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.603 1.821 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.710 1.815 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.882 3.087 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.821 1.585 7.016 1.00 0.00 H new ATOM 573 N ALA A 40 -11.706 -0.832 6.049 1.00 0.00 N ATOM 574 CA ALA A 40 -11.546 -2.276 6.060 1.00 0.00 C ATOM 575 C ALA A 40 -12.247 -2.871 4.836 1.00 0.00 C ATOM 576 O ALA A 40 -11.598 -3.445 3.963 1.00 0.00 O ATOM 577 CB ALA A 40 -12.089 -2.840 7.374 1.00 0.00 C ATOM 0 H ALA A 40 -11.950 -0.423 6.951 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.492 -2.546 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.969 -3.923 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.539 -2.408 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.146 -2.591 7.467 1.00 0.00 H new ATOM 583 N ALA A 41 -13.562 -2.714 4.813 1.00 0.00 N ATOM 584 CA ALA A 41 -14.357 -3.229 3.711 1.00 0.00 C ATOM 585 C ALA A 41 -14.241 -4.754 3.672 1.00 0.00 C ATOM 586 O ALA A 41 -13.959 -5.332 2.624 1.00 0.00 O ATOM 587 CB ALA A 41 -13.903 -2.576 2.404 1.00 0.00 C ATOM 0 H ALA A 41 -14.097 -2.238 5.539 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.410 -2.982 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.500 -2.963 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.034 -1.496 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.851 -2.803 2.230 1.00 0.00 H new ATOM 593 N ALA A 42 -14.464 -5.362 4.828 1.00 0.00 N ATOM 594 CA ALA A 42 -14.388 -6.809 4.940 1.00 0.00 C ATOM 595 C ALA A 42 -15.658 -7.429 4.355 1.00 0.00 C ATOM 596 O ALA A 42 -15.597 -8.175 3.379 1.00 0.00 O ATOM 597 CB ALA A 42 -14.169 -7.197 6.403 1.00 0.00 C ATOM 0 H ALA A 42 -14.697 -4.879 5.695 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.542 -7.194 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.112 -8.282 6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.239 -6.756 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.000 -6.830 7.005 1.00 0.00 H new ATOM 603 N ALA A 43 -16.780 -7.097 4.976 1.00 0.00 N ATOM 604 CA ALA A 43 -18.064 -7.612 4.529 1.00 0.00 C ATOM 605 C ALA A 43 -18.178 -7.439 3.014 1.00 0.00 C ATOM 606 O ALA A 43 -18.928 -8.160 2.358 1.00 0.00 O ATOM 607 CB ALA A 43 -19.189 -6.902 5.284 1.00 0.00 C ATOM 0 H ALA A 43 -16.827 -6.478 5.785 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.148 -8.677 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.152 -7.288 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.079 -7.081 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.139 -5.831 5.088 1.00 0.00 H new ATOM 613 N VAL A 44 -17.424 -6.477 2.501 1.00 0.00 N ATOM 614 CA VAL A 44 -17.431 -6.200 1.075 1.00 0.00 C ATOM 615 C VAL A 44 -16.256 -6.924 0.413 1.00 0.00 C ATOM 616 O VAL A 44 -16.343 -7.324 -0.747 1.00 0.00 O ATOM 617 CB VAL A 44 -17.414 -4.689 0.836 1.00 0.00 C ATOM 618 CG1 VAL A 44 -16.431 -4.321 -0.278 1.00 0.00 C ATOM 619 CG2 VAL A 44 -18.818 -4.168 0.522 1.00 0.00 C ATOM 0 H VAL A 44 -16.804 -5.880 3.048 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.345 -6.578 0.617 1.00 0.00 H new ATOM 0 HB VAL A 44 -17.076 -4.208 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.438 -3.241 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.427 -4.642 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -16.726 -4.818 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.778 -3.091 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -19.196 -4.659 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.481 -4.382 1.360 1.00 0.00 H new ATOM 629 N ALA A 45 -15.185 -7.069 1.179 1.00 0.00 N ATOM 630 CA ALA A 45 -13.995 -7.737 0.682 1.00 0.00 C ATOM 631 C ALA A 45 -14.389 -9.083 0.070 1.00 0.00 C ATOM 632 O ALA A 45 -13.875 -9.466 -0.980 1.00 0.00 O ATOM 633 CB ALA A 45 -12.981 -7.888 1.818 1.00 0.00 C ATOM 0 H ALA A 45 -15.117 -6.735 2.140 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.521 -7.144 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.088 -8.389 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.712 -6.903 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.420 -8.480 2.621 1.00 0.00 H new ATOM 639 N ALA A 46 -15.297 -9.764 0.753 1.00 0.00 N ATOM 640 CA ALA A 46 -15.765 -11.060 0.290 1.00 0.00 C ATOM 641 C ALA A 46 -16.689 -10.863 -0.913 1.00 0.00 C ATOM 642 O ALA A 46 -16.669 -11.658 -1.852 1.00 0.00 O ATOM 643 CB ALA A 46 -16.456 -11.794 1.441 1.00 0.00 C ATOM 0 H ALA A 46 -15.721 -9.443 1.623 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.927 -11.677 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.807 -12.766 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.750 -11.934 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.304 -11.206 1.791 1.00 0.00 H new ATOM 649 N ALA A 47 -17.475 -9.798 -0.847 1.00 0.00 N ATOM 650 CA ALA A 47 -18.404 -9.487 -1.920 1.00 0.00 C ATOM 651 C ALA A 47 -17.622 -8.997 -3.140 1.00 0.00 C ATOM 652 O ALA A 47 -16.403 -9.151 -3.204 1.00 0.00 O ATOM 653 CB ALA A 47 -19.424 -8.457 -1.430 1.00 0.00 C ATOM 0 H ALA A 47 -17.487 -9.140 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 47 -18.957 -10.378 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -20.121 -8.224 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -19.973 -8.864 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.905 -7.548 -1.124 1.00 0.00 H new ATOM 659 N THR A 48 -18.355 -8.416 -4.079 1.00 0.00 N ATOM 660 CA THR A 48 -17.744 -7.902 -5.294 1.00 0.00 C ATOM 661 C THR A 48 -16.661 -8.860 -5.793 1.00 0.00 C ATOM 662 O THR A 48 -15.567 -8.431 -6.157 1.00 0.00 O ATOM 663 CB THR A 48 -17.223 -6.494 -5.002 1.00 0.00 C ATOM 664 OG1 THR A 48 -16.619 -6.087 -6.226 1.00 0.00 O ATOM 665 CG2 THR A 48 -16.068 -6.494 -3.998 1.00 0.00 C ATOM 0 H THR A 48 -19.366 -8.290 -4.023 1.00 0.00 H new ATOM 0 HA THR A 48 -18.470 -7.834 -6.104 1.00 0.00 H new ATOM 0 HB THR A 48 -18.037 -5.878 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.904 -6.714 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.735 -5.470 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.404 -6.929 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.241 -7.082 -4.395 1.00 0.00 H new ATOM 673 N ALA A 49 -17.002 -10.140 -5.793 1.00 0.00 N ATOM 674 CA ALA A 49 -16.072 -11.163 -6.241 1.00 0.00 C ATOM 675 C ALA A 49 -15.394 -10.699 -7.532 1.00 0.00 C ATOM 676 O ALA A 49 -15.922 -9.845 -8.242 1.00 0.00 O ATOM 677 CB ALA A 49 -16.816 -12.488 -6.418 1.00 0.00 C ATOM 0 H ALA A 49 -17.910 -10.492 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.292 -11.324 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -16.118 -13.255 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.255 -12.789 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.605 -12.366 -7.160 1.00 0.00 H new ATOM 683 N ALA A 50 -14.233 -11.282 -7.795 1.00 0.00 N ATOM 684 CA ALA A 50 -13.477 -10.938 -8.987 1.00 0.00 C ATOM 685 C ALA A 50 -13.990 -11.766 -10.167 1.00 0.00 C ATOM 686 O ALA A 50 -13.206 -12.387 -10.883 1.00 0.00 O ATOM 687 CB ALA A 50 -11.985 -11.158 -8.726 1.00 0.00 C ATOM 0 H ALA A 50 -13.798 -11.990 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.613 -9.886 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.417 -10.900 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.664 -10.527 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.810 -12.204 -8.474 1.00 0.00 H new ATOM 693 N VAL A 51 -15.305 -11.748 -10.334 1.00 0.00 N ATOM 694 CA VAL A 51 -15.932 -12.489 -11.415 1.00 0.00 C ATOM 695 C VAL A 51 -15.344 -13.900 -11.468 1.00 0.00 C ATOM 696 O VAL A 51 -14.896 -14.351 -12.522 1.00 0.00 O ATOM 697 CB VAL A 51 -15.776 -11.726 -12.732 1.00 0.00 C ATOM 698 CG1 VAL A 51 -14.299 -11.554 -13.094 1.00 0.00 C ATOM 699 CG2 VAL A 51 -16.540 -12.420 -13.861 1.00 0.00 C ATOM 0 H VAL A 51 -15.953 -11.232 -9.739 1.00 0.00 H new ATOM 0 HA VAL A 51 -17.003 -12.590 -11.238 1.00 0.00 H new ATOM 0 HB VAL A 51 -16.206 -10.733 -12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.216 -11.009 -14.034 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.794 -10.997 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.834 -12.534 -13.201 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.413 -11.857 -14.786 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.153 -13.430 -13.995 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.599 -12.467 -13.608 1.00 0.00 H new ATOM 709 N GLU A 52 -15.364 -14.559 -10.319 1.00 0.00 N ATOM 710 CA GLU A 52 -14.839 -15.911 -10.222 1.00 0.00 C ATOM 711 C GLU A 52 -15.834 -16.911 -10.813 1.00 0.00 C ATOM 712 O GLU A 52 -16.998 -16.579 -11.033 1.00 0.00 O ATOM 713 CB GLU A 52 -14.502 -16.265 -8.772 1.00 0.00 C ATOM 714 CG GLU A 52 -13.431 -17.355 -8.709 1.00 0.00 C ATOM 715 CD GLU A 52 -12.591 -17.226 -7.436 1.00 0.00 C ATOM 716 OE1 GLU A 52 -13.130 -16.901 -6.368 1.00 0.00 O ATOM 717 OE2 GLU A 52 -11.335 -17.478 -7.584 1.00 0.00 O ATOM 0 H GLU A 52 -15.735 -14.182 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.916 -15.963 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.152 -15.375 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.402 -16.604 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.904 -18.337 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.785 -17.286 -9.584 1.00 0.00 H new ATOM 725 N GLY A 53 -15.340 -18.116 -11.055 1.00 0.00 N ATOM 726 CA GLY A 53 -16.171 -19.167 -11.616 1.00 0.00 C ATOM 727 C GLY A 53 -15.806 -20.530 -11.024 1.00 0.00 C ATOM 728 O GLY A 53 -15.269 -21.390 -11.721 1.00 0.00 O ATOM 0 H GLY A 53 -14.374 -18.388 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.221 -18.950 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.049 -19.193 -12.699 1.00 0.00 H new ATOM 732 N THR A 54 -16.113 -20.685 -9.745 1.00 0.00 N ATOM 733 CA THR A 54 -15.824 -21.929 -9.051 1.00 0.00 C ATOM 734 C THR A 54 -16.820 -22.147 -7.910 1.00 0.00 C ATOM 735 O THR A 54 -16.666 -21.578 -6.830 1.00 0.00 O ATOM 736 CB THR A 54 -14.367 -21.883 -8.585 1.00 0.00 C ATOM 737 OG1 THR A 54 -13.614 -21.954 -9.793 1.00 0.00 O ATOM 738 CG2 THR A 54 -13.958 -23.141 -7.817 1.00 0.00 C ATOM 0 H THR A 54 -16.559 -19.970 -9.171 1.00 0.00 H new ATOM 0 HA THR A 54 -15.942 -22.787 -9.712 1.00 0.00 H new ATOM 0 HB THR A 54 -14.215 -21.007 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.221 -22.101 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.916 -23.057 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.589 -23.250 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.077 -24.014 -8.459 1.00 0.00 H new ATOM 746 N GLY A 55 -17.819 -22.971 -8.189 1.00 0.00 N ATOM 747 CA GLY A 55 -18.839 -23.272 -7.200 1.00 0.00 C ATOM 748 C GLY A 55 -19.212 -24.755 -7.230 1.00 0.00 C ATOM 749 O GLY A 55 -19.077 -25.453 -6.226 1.00 0.00 O ATOM 0 H GLY A 55 -17.944 -23.440 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.478 -23.004 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.725 -22.667 -7.391 1.00 0.00 H new ATOM 753 N GLY A 56 -19.674 -25.193 -8.392 1.00 0.00 N ATOM 754 CA GLY A 56 -20.068 -26.581 -8.565 1.00 0.00 C ATOM 755 C GLY A 56 -18.917 -27.525 -8.213 1.00 0.00 C ATOM 756 O GLY A 56 -18.680 -27.811 -7.040 1.00 0.00 O ATOM 0 H GLY A 56 -19.784 -24.611 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -20.929 -26.800 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -20.378 -26.749 -9.596 1.00 0.00 H new ATOM 760 N SER A 57 -18.232 -27.984 -9.250 1.00 0.00 N ATOM 761 CA SER A 57 -17.111 -28.890 -9.065 1.00 0.00 C ATOM 762 C SER A 57 -15.853 -28.305 -9.709 1.00 0.00 C ATOM 763 O SER A 57 -15.942 -27.452 -10.591 1.00 0.00 O ATOM 764 CB SER A 57 -17.416 -30.270 -9.652 1.00 0.00 C ATOM 765 OG SER A 57 -16.781 -31.314 -8.919 1.00 0.00 O ATOM 0 H SER A 57 -18.432 -27.745 -10.221 1.00 0.00 H new ATOM 0 HA SER A 57 -16.941 -29.010 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.494 -30.433 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.086 -30.303 -10.690 1.00 0.00 H new ATOM 0 HG SER A 57 -17.001 -32.179 -9.324 1.00 0.00 H new ATOM 771 N GLY A 58 -14.710 -28.787 -9.244 1.00 0.00 N ATOM 772 CA GLY A 58 -13.435 -28.323 -9.764 1.00 0.00 C ATOM 773 C GLY A 58 -12.375 -28.282 -8.661 1.00 0.00 C ATOM 774 O GLY A 58 -12.065 -27.215 -8.133 1.00 0.00 O ATOM 0 H GLY A 58 -14.640 -29.494 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.104 -28.982 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.554 -27.329 -10.196 1.00 0.00 H new ATOM 778 N GLY A 59 -11.849 -29.456 -8.346 1.00 0.00 N ATOM 779 CA GLY A 59 -10.830 -29.567 -7.316 1.00 0.00 C ATOM 780 C GLY A 59 -9.530 -30.134 -7.889 1.00 0.00 C ATOM 781 O GLY A 59 -8.756 -29.411 -8.514 1.00 0.00 O ATOM 0 H GLY A 59 -12.109 -30.339 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.642 -28.586 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.189 -30.211 -6.513 1.00 0.00 H new ATOM 785 N GLY A 60 -9.330 -31.423 -7.656 1.00 0.00 N ATOM 786 CA GLY A 60 -8.137 -32.095 -8.142 1.00 0.00 C ATOM 787 C GLY A 60 -7.934 -33.434 -7.431 1.00 0.00 C ATOM 788 O GLY A 60 -8.827 -33.912 -6.733 1.00 0.00 O ATOM 0 H GLY A 60 -9.974 -32.020 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.220 -32.259 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.266 -31.459 -7.982 1.00 0.00 H new ATOM 792 N PRO A 61 -6.723 -34.018 -7.637 1.00 0.00 N ATOM 793 CA PRO A 61 -6.391 -35.292 -7.024 1.00 0.00 C ATOM 794 C PRO A 61 -6.094 -35.123 -5.533 1.00 0.00 C ATOM 795 O PRO A 61 -6.115 -34.007 -5.015 1.00 0.00 O ATOM 796 CB PRO A 61 -5.199 -35.810 -7.812 1.00 0.00 C ATOM 797 CG PRO A 61 -4.618 -34.603 -8.530 1.00 0.00 C ATOM 798 CD PRO A 61 -5.641 -33.481 -8.457 1.00 0.00 C ATOM 0 HA PRO A 61 -7.216 -36.004 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.461 -36.264 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.505 -36.578 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.681 -34.296 -8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.393 -34.848 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.213 -32.584 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.996 -33.204 -9.450 1.00 0.00 H new ATOM 806 N HIS A 62 -5.824 -36.246 -4.884 1.00 0.00 N ATOM 807 CA HIS A 62 -5.522 -36.236 -3.463 1.00 0.00 C ATOM 808 C HIS A 62 -4.061 -36.635 -3.245 1.00 0.00 C ATOM 809 O HIS A 62 -3.257 -35.831 -2.777 1.00 0.00 O ATOM 810 CB HIS A 62 -6.501 -37.124 -2.693 1.00 0.00 C ATOM 811 CG HIS A 62 -6.674 -36.736 -1.244 1.00 0.00 C ATOM 812 ND1 HIS A 62 -7.009 -37.648 -0.259 1.00 0.00 N ATOM 813 CD2 HIS A 62 -6.555 -35.526 -0.625 1.00 0.00 C ATOM 814 CE1 HIS A 62 -7.086 -37.005 0.897 1.00 0.00 C ATOM 815 NE2 HIS A 62 -6.805 -35.690 0.668 1.00 0.00 N ATOM 0 H HIS A 62 -5.808 -37.170 -5.317 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.649 -35.228 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.472 -37.089 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.155 -38.157 -2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.301 -34.593 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.329 -37.445 1.853 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.790 -34.954 1.374 1.00 0.00 H new ATOM 823 N HIS A 63 -3.763 -37.878 -3.595 1.00 0.00 N ATOM 824 CA HIS A 63 -2.413 -38.395 -3.444 1.00 0.00 C ATOM 825 C HIS A 63 -2.295 -39.740 -4.163 1.00 0.00 C ATOM 826 O HIS A 63 -3.288 -40.445 -4.336 1.00 0.00 O ATOM 827 CB HIS A 63 -2.026 -38.476 -1.966 1.00 0.00 C ATOM 828 CG HIS A 63 -0.540 -38.368 -1.714 1.00 0.00 C ATOM 829 ND1 HIS A 63 0.034 -37.285 -1.073 1.00 0.00 N ATOM 830 CD2 HIS A 63 0.480 -39.219 -2.022 1.00 0.00 C ATOM 831 CE1 HIS A 63 1.342 -37.485 -1.005 1.00 0.00 C ATOM 832 NE2 HIS A 63 1.617 -38.684 -1.595 1.00 0.00 N ATOM 0 H HIS A 63 -4.433 -38.542 -3.983 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.703 -37.711 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.535 -37.680 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -2.386 -39.420 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.380 -40.168 -2.528 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.064 -36.816 -0.560 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.543 -39.100 -1.692 1.00 0.00 H new ATOM 840 N HIS A 64 -1.072 -40.055 -4.563 1.00 0.00 N ATOM 841 CA HIS A 64 -0.811 -41.303 -5.260 1.00 0.00 C ATOM 842 C HIS A 64 -0.383 -42.373 -4.253 1.00 0.00 C ATOM 843 O HIS A 64 -1.097 -43.351 -4.041 1.00 0.00 O ATOM 844 CB HIS A 64 0.213 -41.097 -6.378 1.00 0.00 C ATOM 845 CG HIS A 64 -0.393 -41.012 -7.758 1.00 0.00 C ATOM 846 ND1 HIS A 64 -0.533 -42.113 -8.585 1.00 0.00 N ATOM 847 CD2 HIS A 64 -0.894 -39.947 -8.448 1.00 0.00 C ATOM 848 CE1 HIS A 64 -1.093 -41.717 -9.718 1.00 0.00 C ATOM 849 NE2 HIS A 64 -1.316 -40.374 -9.631 1.00 0.00 N ATOM 0 H HIS A 64 -0.251 -39.468 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.724 -41.652 -5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.772 -40.182 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.929 -41.919 -6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.939 -38.929 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.331 -42.347 -10.562 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.738 -39.794 -10.356 1.00 0.00 H new ATOM 857 N HIS A 65 0.781 -42.150 -3.661 1.00 0.00 N ATOM 858 CA HIS A 65 1.312 -43.083 -2.682 1.00 0.00 C ATOM 859 C HIS A 65 1.762 -44.364 -3.385 1.00 0.00 C ATOM 860 O HIS A 65 1.137 -44.799 -4.351 1.00 0.00 O ATOM 861 CB HIS A 65 0.294 -43.343 -1.570 1.00 0.00 C ATOM 862 CG HIS A 65 0.910 -43.541 -0.206 1.00 0.00 C ATOM 863 ND1 HIS A 65 0.575 -42.763 0.888 1.00 0.00 N ATOM 864 CD2 HIS A 65 1.843 -44.437 0.229 1.00 0.00 C ATOM 865 CE1 HIS A 65 1.281 -43.180 1.929 1.00 0.00 C ATOM 866 NE2 HIS A 65 2.066 -44.217 1.519 1.00 0.00 N ATOM 0 H HIS A 65 1.371 -41.337 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 65 2.187 -42.649 -2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.401 -42.505 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.289 -44.228 -1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.319 -45.196 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.242 -42.770 2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.717 -44.738 2.107 1.00 0.00 H new ATOM 874 N GLN A 66 2.844 -44.934 -2.874 1.00 0.00 N ATOM 875 CA GLN A 66 3.385 -46.157 -3.441 1.00 0.00 C ATOM 876 C GLN A 66 3.125 -47.338 -2.503 1.00 0.00 C ATOM 877 O GLN A 66 2.268 -47.260 -1.624 1.00 0.00 O ATOM 878 CB GLN A 66 4.879 -46.011 -3.737 1.00 0.00 C ATOM 879 CG GLN A 66 5.269 -46.793 -4.993 1.00 0.00 C ATOM 880 CD GLN A 66 5.887 -45.869 -6.045 1.00 0.00 C ATOM 881 OE1 GLN A 66 6.543 -44.888 -5.737 1.00 0.00 O ATOM 882 NE2 GLN A 66 5.641 -46.237 -7.299 1.00 0.00 N ATOM 0 H GLN A 66 3.360 -44.571 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 66 2.878 -46.350 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.126 -44.958 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.459 -46.370 -2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.979 -47.578 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.389 -47.284 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.084 -47.071 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.010 -45.686 -8.074 1.00 0.00 H new ATOM 891 N THR A 67 3.881 -48.404 -2.722 1.00 0.00 N ATOM 892 CA THR A 67 3.744 -49.599 -1.907 1.00 0.00 C ATOM 893 C THR A 67 5.007 -50.456 -2.000 1.00 0.00 C ATOM 894 O THR A 67 5.890 -50.182 -2.812 1.00 0.00 O ATOM 895 CB THR A 67 2.477 -50.332 -2.353 1.00 0.00 C ATOM 896 OG1 THR A 67 1.416 -49.476 -1.938 1.00 0.00 O ATOM 897 CG2 THR A 67 2.242 -51.625 -1.569 1.00 0.00 C ATOM 0 H THR A 67 4.591 -48.465 -3.452 1.00 0.00 H new ATOM 0 HA THR A 67 3.637 -49.348 -0.852 1.00 0.00 H new ATOM 0 HB THR A 67 2.545 -50.560 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.757 -48.820 -1.295 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.331 -52.106 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.087 -52.297 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.140 -51.394 -0.509 1.00 0.00 H new ATOM 905 N ARG A 68 5.054 -51.478 -1.158 1.00 0.00 N ATOM 906 CA ARG A 68 6.194 -52.378 -1.136 1.00 0.00 C ATOM 907 C ARG A 68 6.545 -52.826 -2.556 1.00 0.00 C ATOM 908 O ARG A 68 5.699 -52.792 -3.448 1.00 0.00 O ATOM 909 CB ARG A 68 5.907 -53.610 -0.276 1.00 0.00 C ATOM 910 CG ARG A 68 6.332 -53.377 1.176 1.00 0.00 C ATOM 911 CD ARG A 68 7.798 -53.758 1.386 1.00 0.00 C ATOM 912 NE ARG A 68 8.052 -54.025 2.819 1.00 0.00 N ATOM 913 CZ ARG A 68 9.248 -54.399 3.320 1.00 0.00 C ATOM 914 NH1 ARG A 68 10.314 -54.553 2.505 1.00 0.00 N ATOM 915 NH2 ARG A 68 9.361 -54.611 4.618 1.00 0.00 N ATOM 0 H ARG A 68 4.320 -51.703 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 68 7.035 -51.836 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.843 -53.845 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.438 -54.472 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.184 -52.330 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.701 -53.965 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.041 -54.641 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.445 -52.953 1.038 1.00 0.00 H new ATOM 0 HE ARG A 68 7.274 -53.920 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.218 -54.386 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.215 -54.836 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.551 -54.492 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.258 -54.894 5.012 1.00 0.00 H new ATOM 928 N GLY A 69 7.794 -53.237 -2.721 1.00 0.00 N ATOM 929 CA GLY A 69 8.267 -53.691 -4.018 1.00 0.00 C ATOM 930 C GLY A 69 9.771 -53.969 -3.986 1.00 0.00 C ATOM 931 O GLY A 69 10.577 -53.040 -3.966 1.00 0.00 O ATOM 0 H GLY A 69 8.493 -53.265 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.732 -54.596 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.049 -52.936 -4.773 1.00 0.00 H new ATOM 935 N ALA A 70 10.104 -55.252 -3.984 1.00 0.00 N ATOM 936 CA ALA A 70 11.497 -55.663 -3.955 1.00 0.00 C ATOM 937 C ALA A 70 11.594 -57.147 -4.317 1.00 0.00 C ATOM 938 O ALA A 70 11.354 -58.011 -3.476 1.00 0.00 O ATOM 939 CB ALA A 70 12.091 -55.359 -2.579 1.00 0.00 C ATOM 0 H ALA A 70 9.433 -56.020 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 70 12.077 -55.105 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.136 -55.668 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.024 -54.289 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.536 -55.904 -1.815 1.00 0.00 H new ATOM 945 N TYR A 71 11.945 -57.395 -5.571 1.00 0.00 N ATOM 946 CA TYR A 71 12.076 -58.759 -6.054 1.00 0.00 C ATOM 947 C TYR A 71 13.330 -59.425 -5.483 1.00 0.00 C ATOM 948 O TYR A 71 14.393 -58.809 -5.424 1.00 0.00 O ATOM 949 CB TYR A 71 12.216 -58.656 -7.574 1.00 0.00 C ATOM 950 CG TYR A 71 10.881 -58.568 -8.317 1.00 0.00 C ATOM 951 CD1 TYR A 71 9.939 -57.634 -7.935 1.00 0.00 C ATOM 952 CD2 TYR A 71 10.619 -59.421 -9.369 1.00 0.00 C ATOM 953 CE1 TYR A 71 8.682 -57.551 -8.634 1.00 0.00 C ATOM 954 CE2 TYR A 71 9.363 -59.338 -10.068 1.00 0.00 C ATOM 955 CZ TYR A 71 8.457 -58.407 -9.666 1.00 0.00 C ATOM 956 OH TYR A 71 7.270 -58.329 -10.326 1.00 0.00 O ATOM 0 H TYR A 71 12.142 -56.675 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 71 11.216 -59.357 -5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.813 -57.776 -7.815 1.00 0.00 H new ATOM 0 HB3 TYR A 71 12.766 -59.524 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.144 -56.965 -7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.356 -60.151 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 71 7.936 -56.826 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.145 -60.000 -10.893 1.00 0.00 H new ATOM 0 HH TYR A 71 7.248 -59.000 -11.040 1.00 0.00 H new ATOM 966 N SER A 72 13.164 -60.675 -5.077 1.00 0.00 N ATOM 967 CA SER A 72 14.269 -61.432 -4.513 1.00 0.00 C ATOM 968 C SER A 72 14.227 -62.875 -5.019 1.00 0.00 C ATOM 969 O SER A 72 13.163 -63.491 -5.062 1.00 0.00 O ATOM 970 CB SER A 72 14.232 -61.404 -2.984 1.00 0.00 C ATOM 971 OG SER A 72 13.036 -61.982 -2.468 1.00 0.00 O ATOM 0 H SER A 72 12.281 -61.183 -5.127 1.00 0.00 H new ATOM 0 HA SER A 72 15.201 -60.968 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.094 -61.943 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.315 -60.374 -2.638 1.00 0.00 H new ATOM 0 HG SER A 72 13.052 -61.947 -1.489 1.00 0.00 H new ATOM 977 N SER A 73 15.398 -63.373 -5.388 1.00 0.00 N ATOM 978 CA SER A 73 15.508 -64.733 -5.889 1.00 0.00 C ATOM 979 C SER A 73 16.982 -65.119 -6.035 1.00 0.00 C ATOM 980 O SER A 73 17.806 -64.295 -6.429 1.00 0.00 O ATOM 981 CB SER A 73 14.784 -64.888 -7.228 1.00 0.00 C ATOM 982 OG SER A 73 14.377 -66.233 -7.462 1.00 0.00 O ATOM 0 H SER A 73 16.279 -62.860 -5.350 1.00 0.00 H new ATOM 0 HA SER A 73 15.033 -65.401 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.910 -64.237 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.440 -64.562 -8.035 1.00 0.00 H new ATOM 0 HG SER A 73 13.917 -66.290 -8.326 1.00 0.00 H new ATOM 988 N HIS A 74 17.267 -66.371 -5.711 1.00 0.00 N ATOM 989 CA HIS A 74 18.627 -66.876 -5.801 1.00 0.00 C ATOM 990 C HIS A 74 19.504 -66.177 -4.761 1.00 0.00 C ATOM 991 O HIS A 74 19.797 -64.989 -4.889 1.00 0.00 O ATOM 992 CB HIS A 74 19.166 -66.731 -7.226 1.00 0.00 C ATOM 993 CG HIS A 74 19.893 -67.954 -7.734 1.00 0.00 C ATOM 994 ND1 HIS A 74 20.921 -68.560 -7.035 1.00 0.00 N ATOM 995 CD2 HIS A 74 19.728 -68.676 -8.880 1.00 0.00 C ATOM 996 CE1 HIS A 74 21.349 -69.599 -7.736 1.00 0.00 C ATOM 997 NE2 HIS A 74 20.609 -69.669 -8.880 1.00 0.00 N ATOM 0 H HIS A 74 16.580 -67.051 -5.386 1.00 0.00 H new ATOM 0 HA HIS A 74 18.639 -67.943 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.336 -66.509 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 74 19.842 -65.877 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.004 -68.474 -9.655 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.144 -70.272 -7.452 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.715 -70.369 -9.614 1.00 0.00 H new ATOM 1005 N ASP A 75 19.899 -66.943 -3.756 1.00 0.00 N ATOM 1006 CA ASP A 75 20.738 -66.412 -2.694 1.00 0.00 C ATOM 1007 C ASP A 75 21.466 -67.565 -2.001 1.00 0.00 C ATOM 1008 O ASP A 75 20.832 -68.495 -1.504 1.00 0.00 O ATOM 1009 CB ASP A 75 19.899 -65.682 -1.643 1.00 0.00 C ATOM 1010 CG ASP A 75 20.584 -64.479 -0.991 1.00 0.00 C ATOM 1011 OD1 ASP A 75 20.341 -63.324 -1.370 1.00 0.00 O ATOM 1012 OD2 ASP A 75 21.409 -64.769 -0.043 1.00 0.00 O ATOM 0 H ASP A 75 19.654 -67.928 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 75 21.445 -65.713 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.973 -65.345 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.624 -66.391 -0.863 1.00 0.00 H new TER 1018 ASP A 75