USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 MET CE :methyl -156:sc= -8.05! (180deg=-8.93!) USER MOD Set 1.2: A 47 MET CE :methyl -147:sc= -2.06 (180deg=-1.45) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0762 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= -1.14 (180deg=-1.16) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.183 USER MOD Single : A 14 LYS NZ :NH3+ -120:sc= -0.441 (180deg=-2.07!) USER MOD Single : A 15 GLN : amide:sc= -0.0124 K(o=-0.012,f=-2.2!) USER MOD Single : A 22 SER OG : rot -88:sc= -0.13 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.7) USER MOD Single : A 29 THR OG1 : rot -30:sc= 0.256 USER MOD Single : A 31 MET CE :methyl -147:sc= -0.877 (180deg=-1.17) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -1.44 (180deg=-1.67) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 48 ASN : amide:sc= -2.48 K(o=-2.5,f=-7.7!) USER MOD Single : A 51 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.3) USER MOD Single : A 53 MET CE :methyl 178:sc= 0 (180deg=-0.00409) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -1.01 (180deg=-1.52) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 42:sc= 0.402 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.534 -1.590 -27.086 1.00 0.00 N ATOM 2 CA GLY A 1 2.465 -2.167 -26.134 1.00 0.00 C ATOM 3 C GLY A 1 3.769 -1.397 -26.060 1.00 0.00 C ATOM 4 O GLY A 1 4.058 -0.568 -26.923 1.00 0.00 O ATOM 0 H1 GLY A 1 0.704 -1.220 -26.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.999 -0.815 -27.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.230 -2.321 -27.761 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.003 -2.190 -25.147 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.672 -3.200 -26.413 1.00 0.00 H new ATOM 8 N SER A 2 4.558 -1.671 -25.026 1.00 0.00 N ATOM 9 CA SER A 2 5.836 -0.993 -24.840 1.00 0.00 C ATOM 10 C SER A 2 6.822 -1.383 -25.936 1.00 0.00 C ATOM 11 O SER A 2 7.447 -2.442 -25.877 1.00 0.00 O ATOM 12 CB SER A 2 6.421 -1.332 -23.468 1.00 0.00 C ATOM 13 OG SER A 2 7.658 -0.671 -23.263 1.00 0.00 O ATOM 0 H SER A 2 4.335 -2.357 -24.305 1.00 0.00 H new ATOM 0 HA SER A 2 5.662 0.081 -24.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.717 -1.043 -22.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.563 -2.410 -23.386 1.00 0.00 H new ATOM 0 HG SER A 2 8.010 -0.903 -22.378 1.00 0.00 H new ATOM 19 N SER A 3 6.957 -0.518 -26.937 1.00 0.00 N ATOM 20 CA SER A 3 7.864 -0.773 -28.050 1.00 0.00 C ATOM 21 C SER A 3 9.233 -0.153 -27.787 1.00 0.00 C ATOM 22 O SER A 3 9.343 1.036 -27.493 1.00 0.00 O ATOM 23 CB SER A 3 7.280 -0.214 -29.349 1.00 0.00 C ATOM 24 OG SER A 3 7.992 -0.695 -30.476 1.00 0.00 O ATOM 0 H SER A 3 6.450 0.365 -27.000 1.00 0.00 H new ATOM 0 HA SER A 3 7.985 -1.852 -28.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.230 -0.496 -29.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.317 0.875 -29.329 1.00 0.00 H new ATOM 0 HG SER A 3 7.599 -0.325 -31.294 1.00 0.00 H new ATOM 30 N GLY A 4 10.276 -0.971 -27.896 1.00 0.00 N ATOM 31 CA GLY A 4 11.625 -0.487 -27.667 1.00 0.00 C ATOM 32 C GLY A 4 11.809 0.078 -26.273 1.00 0.00 C ATOM 33 O GLY A 4 11.741 -0.653 -25.285 1.00 0.00 O ATOM 0 H GLY A 4 10.211 -1.960 -28.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.331 -1.303 -27.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.861 0.283 -28.402 1.00 0.00 H new ATOM 37 N SER A 5 12.045 1.384 -26.191 1.00 0.00 N ATOM 38 CA SER A 5 12.246 2.046 -24.908 1.00 0.00 C ATOM 39 C SER A 5 11.541 3.399 -24.878 1.00 0.00 C ATOM 40 O SER A 5 11.506 4.114 -25.879 1.00 0.00 O ATOM 41 CB SER A 5 13.740 2.230 -24.632 1.00 0.00 C ATOM 42 OG SER A 5 14.286 1.085 -24.001 1.00 0.00 O ATOM 0 H SER A 5 12.102 2.004 -26.999 1.00 0.00 H new ATOM 0 HA SER A 5 11.816 1.414 -24.131 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.266 2.419 -25.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.891 3.105 -24.000 1.00 0.00 H new ATOM 0 HG SER A 5 15.242 1.226 -23.837 1.00 0.00 H new ATOM 48 N SER A 6 10.982 3.742 -23.723 1.00 0.00 N ATOM 49 CA SER A 6 10.274 5.007 -23.562 1.00 0.00 C ATOM 50 C SER A 6 11.251 6.180 -23.564 1.00 0.00 C ATOM 51 O SER A 6 11.101 7.126 -24.336 1.00 0.00 O ATOM 52 CB SER A 6 9.467 5.003 -22.263 1.00 0.00 C ATOM 53 OG SER A 6 8.206 4.383 -22.448 1.00 0.00 O ATOM 0 H SER A 6 11.005 3.162 -22.884 1.00 0.00 H new ATOM 0 HA SER A 6 9.592 5.123 -24.404 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.024 4.478 -21.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.325 6.027 -21.916 1.00 0.00 H new ATOM 0 HG SER A 6 7.710 4.392 -21.603 1.00 0.00 H new ATOM 59 N GLY A 7 12.252 6.109 -22.691 1.00 0.00 N ATOM 60 CA GLY A 7 13.238 7.170 -22.607 1.00 0.00 C ATOM 61 C GLY A 7 13.449 7.655 -21.186 1.00 0.00 C ATOM 62 O GLY A 7 12.564 7.525 -20.341 1.00 0.00 O ATOM 0 H GLY A 7 12.397 5.336 -22.041 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.186 6.814 -23.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.921 8.007 -23.230 1.00 0.00 H new ATOM 66 N GLY A 8 14.626 8.214 -20.922 1.00 0.00 N ATOM 67 CA GLY A 8 14.930 8.709 -19.592 1.00 0.00 C ATOM 68 C GLY A 8 15.516 7.637 -18.694 1.00 0.00 C ATOM 69 O GLY A 8 16.326 6.823 -19.136 1.00 0.00 O ATOM 0 H GLY A 8 15.374 8.333 -21.605 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.633 9.539 -19.668 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.021 9.102 -19.137 1.00 0.00 H new ATOM 73 N MET A 9 15.108 7.638 -17.429 1.00 0.00 N ATOM 74 CA MET A 9 15.599 6.659 -16.467 1.00 0.00 C ATOM 75 C MET A 9 17.081 6.878 -16.177 1.00 0.00 C ATOM 76 O MET A 9 17.854 5.924 -16.087 1.00 0.00 O ATOM 77 CB MET A 9 15.375 5.240 -16.992 1.00 0.00 C ATOM 78 CG MET A 9 15.526 4.166 -15.927 1.00 0.00 C ATOM 79 SD MET A 9 15.664 2.509 -16.624 1.00 0.00 S ATOM 80 CE MET A 9 13.939 2.111 -16.895 1.00 0.00 C ATOM 0 H MET A 9 14.439 8.306 -17.047 1.00 0.00 H new ATOM 0 HA MET A 9 15.042 6.788 -15.539 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.376 5.175 -17.423 1.00 0.00 H new ATOM 0 HB3 MET A 9 16.083 5.044 -17.797 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.410 4.378 -15.326 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.668 4.203 -15.255 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.859 1.112 -17.325 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.405 2.141 -15.945 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.501 2.837 -17.580 1.00 0.00 H new ATOM 90 N LYS A 10 17.470 8.140 -16.031 1.00 0.00 N ATOM 91 CA LYS A 10 18.859 8.485 -15.750 1.00 0.00 C ATOM 92 C LYS A 10 19.157 8.369 -14.259 1.00 0.00 C ATOM 93 O LYS A 10 18.836 9.267 -13.479 1.00 0.00 O ATOM 94 CB LYS A 10 19.160 9.905 -16.232 1.00 0.00 C ATOM 95 CG LYS A 10 19.268 10.025 -17.743 1.00 0.00 C ATOM 96 CD LYS A 10 17.901 10.169 -18.390 1.00 0.00 C ATOM 97 CE LYS A 10 17.449 11.621 -18.421 1.00 0.00 C ATOM 98 NZ LYS A 10 16.094 11.767 -19.021 1.00 0.00 N ATOM 0 H LYS A 10 16.843 8.941 -16.103 1.00 0.00 H new ATOM 0 HA LYS A 10 19.498 7.783 -16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.375 10.574 -15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 10 20.093 10.242 -15.782 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.885 10.887 -17.997 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.770 9.145 -18.144 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.935 9.776 -19.406 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.173 9.572 -17.841 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.442 12.021 -17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.165 12.212 -18.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.808 12.766 -18.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.114 11.440 -20.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.412 11.197 -18.481 1.00 0.00 H new ATOM 112 N THR A 11 19.773 7.258 -13.867 1.00 0.00 N ATOM 113 CA THR A 11 20.115 7.025 -12.470 1.00 0.00 C ATOM 114 C THR A 11 20.789 8.248 -11.858 1.00 0.00 C ATOM 115 O THR A 11 21.547 8.950 -12.526 1.00 0.00 O ATOM 116 CB THR A 11 21.046 5.808 -12.314 1.00 0.00 C ATOM 117 OG1 THR A 11 20.446 4.653 -12.911 1.00 0.00 O ATOM 118 CG2 THR A 11 21.337 5.533 -10.847 1.00 0.00 C ATOM 0 H THR A 11 20.045 6.505 -14.499 1.00 0.00 H new ATOM 0 HA THR A 11 19.181 6.827 -11.945 1.00 0.00 H new ATOM 0 HB THR A 11 21.986 6.031 -12.818 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.045 3.884 -12.809 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.996 4.669 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.820 6.403 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.403 5.329 -10.323 1.00 0.00 H new ATOM 126 N SER A 12 20.509 8.495 -10.582 1.00 0.00 N ATOM 127 CA SER A 12 21.087 9.636 -9.880 1.00 0.00 C ATOM 128 C SER A 12 22.156 9.180 -8.891 1.00 0.00 C ATOM 129 O SER A 12 23.285 9.668 -8.912 1.00 0.00 O ATOM 130 CB SER A 12 19.995 10.415 -9.145 1.00 0.00 C ATOM 131 OG SER A 12 19.336 9.597 -8.194 1.00 0.00 O ATOM 0 H SER A 12 19.886 7.921 -10.014 1.00 0.00 H new ATOM 0 HA SER A 12 21.554 10.288 -10.618 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.434 11.278 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.271 10.798 -9.864 1.00 0.00 H new ATOM 0 HG SER A 12 18.644 10.119 -7.737 1.00 0.00 H new ATOM 137 N GLY A 13 21.790 8.241 -8.025 1.00 0.00 N ATOM 138 CA GLY A 13 22.728 7.734 -7.040 1.00 0.00 C ATOM 139 C GLY A 13 22.034 7.067 -5.868 1.00 0.00 C ATOM 140 O GLY A 13 20.818 6.875 -5.884 1.00 0.00 O ATOM 0 H GLY A 13 20.861 7.822 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 13 23.399 7.019 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 13 23.345 8.555 -6.674 1.00 0.00 H new ATOM 144 N LYS A 14 22.809 6.711 -4.849 1.00 0.00 N ATOM 145 CA LYS A 14 22.263 6.061 -3.664 1.00 0.00 C ATOM 146 C LYS A 14 23.117 6.362 -2.436 1.00 0.00 C ATOM 147 O LYS A 14 24.343 6.430 -2.524 1.00 0.00 O ATOM 148 CB LYS A 14 22.178 4.548 -3.880 1.00 0.00 C ATOM 149 CG LYS A 14 23.532 3.863 -3.926 1.00 0.00 C ATOM 150 CD LYS A 14 23.398 2.381 -4.234 1.00 0.00 C ATOM 151 CE LYS A 14 23.059 2.145 -5.697 1.00 0.00 C ATOM 152 NZ LYS A 14 21.588 2.119 -5.930 1.00 0.00 N ATOM 0 H LYS A 14 23.817 6.862 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 14 21.261 6.455 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.585 4.108 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.649 4.352 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 14 24.155 4.338 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 14 24.039 3.992 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 14 24.330 1.871 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.622 1.946 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.509 2.930 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 14 23.495 1.200 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.315 1.196 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.091 2.270 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 21.329 2.872 -6.599 1.00 0.00 H new ATOM 166 N GLN A 15 22.461 6.540 -1.294 1.00 0.00 N ATOM 167 CA GLN A 15 23.162 6.833 -0.049 1.00 0.00 C ATOM 168 C GLN A 15 22.664 5.936 1.080 1.00 0.00 C ATOM 169 O GLN A 15 23.429 5.555 1.966 1.00 0.00 O ATOM 170 CB GLN A 15 22.976 8.302 0.332 1.00 0.00 C ATOM 171 CG GLN A 15 23.973 8.793 1.369 1.00 0.00 C ATOM 172 CD GLN A 15 25.278 9.255 0.752 1.00 0.00 C ATOM 173 OE1 GLN A 15 25.868 8.558 -0.074 1.00 0.00 O ATOM 174 NE2 GLN A 15 25.737 10.435 1.151 1.00 0.00 N ATOM 0 H GLN A 15 21.446 6.487 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 15 24.223 6.637 -0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.065 8.915 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.966 8.444 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.531 9.615 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 15 24.175 7.992 2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 15 25.215 10.979 1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 15 26.611 10.797 0.771 1.00 0.00 H new ATOM 183 N ASP A 16 21.379 5.602 1.040 1.00 0.00 N ATOM 184 CA ASP A 16 20.780 4.749 2.060 1.00 0.00 C ATOM 185 C ASP A 16 19.598 3.970 1.490 1.00 0.00 C ATOM 186 O ASP A 16 19.176 4.205 0.358 1.00 0.00 O ATOM 187 CB ASP A 16 20.324 5.588 3.254 1.00 0.00 C ATOM 188 CG ASP A 16 21.474 6.318 3.921 1.00 0.00 C ATOM 189 OD1 ASP A 16 21.860 7.396 3.422 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.988 5.812 4.940 1.00 0.00 O ATOM 0 H ASP A 16 20.732 5.909 0.313 1.00 0.00 H new ATOM 0 HA ASP A 16 21.536 4.038 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.581 6.313 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.836 4.942 3.983 1.00 0.00 H new ATOM 195 N GLU A 17 19.071 3.041 2.282 1.00 0.00 N ATOM 196 CA GLU A 17 17.939 2.227 1.854 1.00 0.00 C ATOM 197 C GLU A 17 16.621 2.844 2.311 1.00 0.00 C ATOM 198 O GLU A 17 15.601 2.727 1.633 1.00 0.00 O ATOM 199 CB GLU A 17 18.068 0.805 2.407 1.00 0.00 C ATOM 200 CG GLU A 17 18.034 0.737 3.925 1.00 0.00 C ATOM 201 CD GLU A 17 16.624 0.642 4.473 1.00 0.00 C ATOM 202 OE1 GLU A 17 15.824 -0.143 3.922 1.00 0.00 O ATOM 203 OE2 GLU A 17 16.320 1.353 5.454 1.00 0.00 O ATOM 0 H GLU A 17 19.409 2.834 3.222 1.00 0.00 H new ATOM 0 HA GLU A 17 17.943 2.188 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.260 0.194 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.003 0.370 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.609 -0.127 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.521 1.622 4.336 1.00 0.00 H new ATOM 210 N ALA A 18 16.651 3.502 3.466 1.00 0.00 N ATOM 211 CA ALA A 18 15.460 4.139 4.013 1.00 0.00 C ATOM 212 C ALA A 18 14.793 5.039 2.978 1.00 0.00 C ATOM 213 O ALA A 18 13.579 4.982 2.782 1.00 0.00 O ATOM 214 CB ALA A 18 15.813 4.937 5.259 1.00 0.00 C ATOM 0 H ALA A 18 17.487 3.607 4.040 1.00 0.00 H new ATOM 0 HA ALA A 18 14.752 3.356 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.914 5.407 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.236 4.270 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.542 5.706 5.004 1.00 0.00 H new ATOM 220 N TRP A 19 15.595 5.867 2.318 1.00 0.00 N ATOM 221 CA TRP A 19 15.081 6.780 1.303 1.00 0.00 C ATOM 222 C TRP A 19 14.458 6.010 0.144 1.00 0.00 C ATOM 223 O TRP A 19 13.462 6.443 -0.436 1.00 0.00 O ATOM 224 CB TRP A 19 16.202 7.684 0.787 1.00 0.00 C ATOM 225 CG TRP A 19 17.052 7.035 -0.264 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.327 6.570 -0.114 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.688 6.782 -1.625 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.778 6.043 -1.300 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.791 6.160 -2.243 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.537 7.018 -2.382 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.774 5.774 -3.580 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.522 6.635 -3.709 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.634 6.018 -4.297 1.00 0.00 C ATOM 0 H TRP A 19 16.602 5.925 2.467 1.00 0.00 H new ATOM 0 HA TRP A 19 14.308 7.397 1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.765 8.596 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.834 7.980 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.897 6.611 0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.699 5.631 -1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.674 7.492 -1.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.630 5.299 -4.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.638 6.814 -4.303 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.591 5.729 -5.337 1.00 0.00 H new ATOM 244 N ILE A 20 15.050 4.867 -0.188 1.00 0.00 N ATOM 245 CA ILE A 20 14.550 4.037 -1.277 1.00 0.00 C ATOM 246 C ILE A 20 13.139 3.540 -0.986 1.00 0.00 C ATOM 247 O ILE A 20 12.285 3.511 -1.872 1.00 0.00 O ATOM 248 CB ILE A 20 15.468 2.826 -1.528 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.840 3.292 -2.020 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.832 1.879 -2.534 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.847 2.171 -2.153 1.00 0.00 C ATOM 0 H ILE A 20 15.876 4.495 0.281 1.00 0.00 H new ATOM 0 HA ILE A 20 14.535 4.662 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 20 15.603 2.290 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.723 3.781 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.230 4.040 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.493 1.028 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.876 1.526 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.671 2.403 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.796 2.574 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.993 1.696 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.479 1.434 -2.866 1.00 0.00 H new ATOM 263 N MET A 21 12.900 3.149 0.262 1.00 0.00 N ATOM 264 CA MET A 21 11.590 2.656 0.670 1.00 0.00 C ATOM 265 C MET A 21 10.477 3.512 0.077 1.00 0.00 C ATOM 266 O MET A 21 9.442 2.996 -0.346 1.00 0.00 O ATOM 267 CB MET A 21 11.480 2.641 2.196 1.00 0.00 C ATOM 268 CG MET A 21 10.050 2.541 2.701 1.00 0.00 C ATOM 269 SD MET A 21 9.112 1.239 1.879 1.00 0.00 S ATOM 270 CE MET A 21 8.806 0.126 3.249 1.00 0.00 C ATOM 0 H MET A 21 13.596 3.164 1.007 1.00 0.00 H new ATOM 0 HA MET A 21 11.480 1.639 0.295 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.054 1.800 2.585 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.935 3.548 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.060 2.353 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.548 3.496 2.549 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.633 -0.881 2.868 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.671 0.119 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.928 0.461 3.801 1.00 0.00 H new ATOM 280 N SER A 22 10.696 4.823 0.048 1.00 0.00 N ATOM 281 CA SER A 22 9.709 5.752 -0.490 1.00 0.00 C ATOM 282 C SER A 22 9.379 5.413 -1.941 1.00 0.00 C ATOM 283 O SER A 22 8.211 5.278 -2.308 1.00 0.00 O ATOM 284 CB SER A 22 10.224 7.189 -0.395 1.00 0.00 C ATOM 285 OG SER A 22 10.936 7.554 -1.564 1.00 0.00 O ATOM 0 H SER A 22 11.549 5.266 0.391 1.00 0.00 H new ATOM 0 HA SER A 22 8.799 5.660 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.386 7.870 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.872 7.289 0.476 1.00 0.00 H new ATOM 0 HG SER A 22 11.879 7.305 -1.464 1.00 0.00 H new ATOM 291 N ARG A 23 10.416 5.278 -2.761 1.00 0.00 N ATOM 292 CA ARG A 23 10.237 4.956 -4.171 1.00 0.00 C ATOM 293 C ARG A 23 9.088 3.970 -4.363 1.00 0.00 C ATOM 294 O ARG A 23 8.178 4.209 -5.158 1.00 0.00 O ATOM 295 CB ARG A 23 11.527 4.372 -4.750 1.00 0.00 C ATOM 296 CG ARG A 23 12.635 5.397 -4.926 1.00 0.00 C ATOM 297 CD ARG A 23 13.664 4.936 -5.947 1.00 0.00 C ATOM 298 NE ARG A 23 13.299 5.328 -7.306 1.00 0.00 N ATOM 299 CZ ARG A 23 13.296 6.586 -7.733 1.00 0.00 C ATOM 300 NH1 ARG A 23 13.636 7.569 -6.910 1.00 0.00 N ATOM 301 NH2 ARG A 23 12.952 6.862 -8.984 1.00 0.00 N ATOM 0 H ARG A 23 11.388 5.387 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 23 9.994 5.877 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.881 3.576 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.308 3.917 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.206 6.347 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.125 5.573 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.637 5.358 -5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.764 3.852 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 23 13.032 4.595 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.900 7.360 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.633 8.534 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.689 6.108 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.950 7.828 -9.311 1.00 0.00 H new ATOM 315 N LEU A 24 9.137 2.863 -3.631 1.00 0.00 N ATOM 316 CA LEU A 24 8.101 1.840 -3.721 1.00 0.00 C ATOM 317 C LEU A 24 6.751 2.393 -3.276 1.00 0.00 C ATOM 318 O LEU A 24 5.719 2.097 -3.880 1.00 0.00 O ATOM 319 CB LEU A 24 8.477 0.630 -2.864 1.00 0.00 C ATOM 320 CG LEU A 24 9.863 0.034 -3.114 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.254 -0.902 -1.981 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.896 -0.697 -4.448 1.00 0.00 C ATOM 0 H LEU A 24 9.883 2.651 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 24 8.020 1.529 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.412 0.919 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.733 -0.150 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 24 10.587 0.848 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.243 -1.316 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.271 -0.349 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.528 -1.712 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.890 -1.115 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.161 -1.502 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.661 0.001 -5.251 1.00 0.00 H new ATOM 334 N ILE A 25 6.765 3.197 -2.219 1.00 0.00 N ATOM 335 CA ILE A 25 5.542 3.794 -1.697 1.00 0.00 C ATOM 336 C ILE A 25 4.859 4.658 -2.750 1.00 0.00 C ATOM 337 O ILE A 25 3.663 4.516 -3.005 1.00 0.00 O ATOM 338 CB ILE A 25 5.823 4.652 -0.449 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.604 3.842 0.589 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.520 5.166 0.145 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.724 2.991 1.478 1.00 0.00 C ATOM 0 H ILE A 25 7.610 3.450 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 25 4.882 2.971 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 25 6.428 5.509 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.317 3.198 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.182 4.525 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.735 5.770 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.998 5.774 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.892 4.322 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.344 2.445 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.028 3.631 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.165 2.283 0.866 1.00 0.00 H new ATOM 353 N LYS A 26 5.626 5.554 -3.362 1.00 0.00 N ATOM 354 CA LYS A 26 5.097 6.440 -4.391 1.00 0.00 C ATOM 355 C LYS A 26 4.180 5.681 -5.345 1.00 0.00 C ATOM 356 O LYS A 26 3.005 6.016 -5.489 1.00 0.00 O ATOM 357 CB LYS A 26 6.242 7.087 -5.174 1.00 0.00 C ATOM 358 CG LYS A 26 5.780 8.137 -6.170 1.00 0.00 C ATOM 359 CD LYS A 26 6.954 8.759 -6.909 1.00 0.00 C ATOM 360 CE LYS A 26 7.531 7.804 -7.943 1.00 0.00 C ATOM 361 NZ LYS A 26 8.216 8.530 -9.047 1.00 0.00 N ATOM 0 H LYS A 26 6.618 5.685 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 26 4.515 7.219 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.938 7.546 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.792 6.310 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.096 7.683 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.224 8.915 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.631 9.677 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.730 9.036 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.237 7.129 -7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.731 7.188 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.595 7.844 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.537 9.156 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.995 9.098 -8.658 1.00 0.00 H new ATOM 375 N GLN A 27 4.726 4.656 -5.992 1.00 0.00 N ATOM 376 CA GLN A 27 3.956 3.849 -6.931 1.00 0.00 C ATOM 377 C GLN A 27 2.554 3.578 -6.395 1.00 0.00 C ATOM 378 O GLN A 27 1.580 3.572 -7.148 1.00 0.00 O ATOM 379 CB GLN A 27 4.673 2.526 -7.208 1.00 0.00 C ATOM 380 CG GLN A 27 5.992 2.692 -7.946 1.00 0.00 C ATOM 381 CD GLN A 27 5.816 3.293 -9.326 1.00 0.00 C ATOM 382 OE1 GLN A 27 5.543 4.486 -9.466 1.00 0.00 O ATOM 383 NE2 GLN A 27 5.972 2.469 -10.356 1.00 0.00 N ATOM 0 H GLN A 27 5.698 4.365 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 27 3.867 4.408 -7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.857 2.017 -6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.017 1.882 -7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.655 3.327 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.478 1.721 -8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.198 1.488 -10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.866 2.818 -11.309 1.00 0.00 H new ATOM 392 N LEU A 28 2.459 3.355 -5.089 1.00 0.00 N ATOM 393 CA LEU A 28 1.176 3.083 -4.450 1.00 0.00 C ATOM 394 C LEU A 28 0.403 4.376 -4.210 1.00 0.00 C ATOM 395 O LEU A 28 -0.755 4.504 -4.610 1.00 0.00 O ATOM 396 CB LEU A 28 1.389 2.348 -3.126 1.00 0.00 C ATOM 397 CG LEU A 28 1.450 0.822 -3.206 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.646 0.380 -4.036 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.513 0.217 -1.812 1.00 0.00 C ATOM 0 H LEU A 28 3.255 3.357 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 28 0.591 2.451 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.317 2.706 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.582 2.624 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 28 0.543 0.465 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.674 -0.709 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.558 0.784 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.564 0.747 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.556 -0.869 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.403 0.580 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.625 0.506 -1.249 1.00 0.00 H new ATOM 411 N THR A 29 1.051 5.334 -3.555 1.00 0.00 N ATOM 412 CA THR A 29 0.426 6.617 -3.262 1.00 0.00 C ATOM 413 C THR A 29 -0.348 7.140 -4.467 1.00 0.00 C ATOM 414 O THR A 29 -1.418 7.730 -4.321 1.00 0.00 O ATOM 415 CB THR A 29 1.470 7.668 -2.841 1.00 0.00 C ATOM 416 OG1 THR A 29 2.358 7.940 -3.932 1.00 0.00 O ATOM 417 CG2 THR A 29 2.269 7.187 -1.639 1.00 0.00 C ATOM 0 H THR A 29 2.009 5.245 -3.217 1.00 0.00 H new ATOM 0 HA THR A 29 -0.264 6.450 -2.435 1.00 0.00 H new ATOM 0 HB THR A 29 0.943 8.581 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.441 7.141 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.000 7.946 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.594 7.008 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.786 6.262 -1.893 1.00 0.00 H new ATOM 425 N ASP A 30 0.200 6.918 -5.656 1.00 0.00 N ATOM 426 CA ASP A 30 -0.440 7.366 -6.888 1.00 0.00 C ATOM 427 C ASP A 30 -1.680 6.530 -7.191 1.00 0.00 C ATOM 428 O ASP A 30 -2.669 7.037 -7.719 1.00 0.00 O ATOM 429 CB ASP A 30 0.542 7.285 -8.057 1.00 0.00 C ATOM 430 CG ASP A 30 0.197 8.253 -9.172 1.00 0.00 C ATOM 431 OD1 ASP A 30 -1.001 8.371 -9.504 1.00 0.00 O ATOM 432 OD2 ASP A 30 1.124 8.892 -9.712 1.00 0.00 O ATOM 0 H ASP A 30 1.086 6.431 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.747 8.403 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.549 7.495 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.550 6.269 -8.451 1.00 0.00 H new ATOM 437 N MET A 31 -1.619 5.246 -6.853 1.00 0.00 N ATOM 438 CA MET A 31 -2.737 4.339 -7.089 1.00 0.00 C ATOM 439 C MET A 31 -3.967 4.777 -6.300 1.00 0.00 C ATOM 440 O MET A 31 -4.984 5.158 -6.878 1.00 0.00 O ATOM 441 CB MET A 31 -2.352 2.910 -6.704 1.00 0.00 C ATOM 442 CG MET A 31 -1.367 2.266 -7.667 1.00 0.00 C ATOM 443 SD MET A 31 -1.084 0.521 -7.308 1.00 0.00 S ATOM 444 CE MET A 31 0.698 0.429 -7.460 1.00 0.00 C ATOM 0 H MET A 31 -0.808 4.810 -6.415 1.00 0.00 H new ATOM 0 HA MET A 31 -2.979 4.368 -8.151 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.919 2.916 -5.704 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.254 2.299 -6.657 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.742 2.367 -8.686 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.418 2.801 -7.622 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.980 -0.550 -7.846 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.045 1.203 -8.145 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.155 0.579 -6.482 1.00 0.00 H new ATOM 454 N GLY A 32 -3.866 4.719 -4.975 1.00 0.00 N ATOM 455 CA GLY A 32 -4.978 5.112 -4.129 1.00 0.00 C ATOM 456 C GLY A 32 -4.859 4.561 -2.722 1.00 0.00 C ATOM 457 O GLY A 32 -5.843 4.103 -2.142 1.00 0.00 O ATOM 0 H GLY A 32 -3.035 4.407 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.031 6.200 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.910 4.764 -4.574 1.00 0.00 H new ATOM 461 N PHE A 33 -3.650 4.604 -2.172 1.00 0.00 N ATOM 462 CA PHE A 33 -3.405 4.102 -0.825 1.00 0.00 C ATOM 463 C PHE A 33 -2.411 4.993 -0.086 1.00 0.00 C ATOM 464 O PHE A 33 -1.463 5.524 -0.666 1.00 0.00 O ATOM 465 CB PHE A 33 -2.877 2.667 -0.880 1.00 0.00 C ATOM 466 CG PHE A 33 -3.547 1.823 -1.927 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.912 1.594 -1.882 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.810 1.258 -2.955 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.530 0.817 -2.844 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.422 0.480 -3.920 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.785 0.260 -3.864 1.00 0.00 C ATOM 0 H PHE A 33 -2.825 4.981 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.350 4.113 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.805 2.690 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.015 2.200 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.500 2.027 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.744 1.427 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.595 0.646 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.836 0.045 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.267 -0.347 -4.617 1.00 0.00 H new ATOM 481 N PRO A 34 -2.631 5.162 1.227 1.00 0.00 N ATOM 482 CA PRO A 34 -1.766 5.988 2.074 1.00 0.00 C ATOM 483 C PRO A 34 -0.392 5.361 2.286 1.00 0.00 C ATOM 484 O PRO A 34 -0.218 4.154 2.119 1.00 0.00 O ATOM 485 CB PRO A 34 -2.531 6.059 3.398 1.00 0.00 C ATOM 486 CG PRO A 34 -3.372 4.830 3.416 1.00 0.00 C ATOM 487 CD PRO A 34 -3.741 4.559 1.984 1.00 0.00 C ATOM 0 HA PRO A 34 -1.568 6.962 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.849 6.085 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.144 6.959 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.825 3.990 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.262 4.976 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.829 3.491 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.698 5.011 1.723 1.00 0.00 H new ATOM 495 N ARG A 35 0.580 6.189 2.654 1.00 0.00 N ATOM 496 CA ARG A 35 1.939 5.715 2.888 1.00 0.00 C ATOM 497 C ARG A 35 2.010 4.868 4.156 1.00 0.00 C ATOM 498 O ARG A 35 2.851 3.978 4.273 1.00 0.00 O ATOM 499 CB ARG A 35 2.903 6.898 2.998 1.00 0.00 C ATOM 500 CG ARG A 35 2.624 7.802 4.187 1.00 0.00 C ATOM 501 CD ARG A 35 3.241 9.179 3.997 1.00 0.00 C ATOM 502 NE ARG A 35 3.348 9.910 5.256 1.00 0.00 N ATOM 503 CZ ARG A 35 2.302 10.392 5.918 1.00 0.00 C ATOM 504 NH1 ARG A 35 1.076 10.221 5.441 1.00 0.00 N ATOM 505 NH2 ARG A 35 2.480 11.046 7.058 1.00 0.00 N ATOM 0 H ARG A 35 0.452 7.191 2.797 1.00 0.00 H new ATOM 0 HA ARG A 35 2.231 5.094 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.922 6.519 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.847 7.488 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.547 7.901 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.022 7.346 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.231 9.074 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.636 9.753 3.295 1.00 0.00 H new ATOM 0 HE ARG A 35 4.277 10.059 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.935 9.719 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.274 10.592 5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.421 11.180 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.676 11.415 7.565 1.00 0.00 H new ATOM 519 N GLU A 36 1.120 5.154 5.102 1.00 0.00 N ATOM 520 CA GLU A 36 1.083 4.419 6.361 1.00 0.00 C ATOM 521 C GLU A 36 1.254 2.922 6.123 1.00 0.00 C ATOM 522 O GLU A 36 2.231 2.307 6.549 1.00 0.00 O ATOM 523 CB GLU A 36 -0.234 4.684 7.093 1.00 0.00 C ATOM 524 CG GLU A 36 -0.142 5.787 8.134 1.00 0.00 C ATOM 525 CD GLU A 36 0.822 5.451 9.255 1.00 0.00 C ATOM 526 OE1 GLU A 36 2.040 5.650 9.069 1.00 0.00 O ATOM 527 OE2 GLU A 36 0.357 4.988 10.318 1.00 0.00 O ATOM 0 H GLU A 36 0.416 5.888 5.020 1.00 0.00 H new ATOM 0 HA GLU A 36 1.910 4.767 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.999 4.948 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.561 3.765 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.175 6.711 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.132 5.970 8.553 1.00 0.00 H new ATOM 534 N PRO A 37 0.279 2.319 5.425 1.00 0.00 N ATOM 535 CA PRO A 37 0.298 0.887 5.114 1.00 0.00 C ATOM 536 C PRO A 37 1.379 0.528 4.101 1.00 0.00 C ATOM 537 O PRO A 37 2.173 -0.386 4.323 1.00 0.00 O ATOM 538 CB PRO A 37 -1.092 0.634 4.524 1.00 0.00 C ATOM 539 CG PRO A 37 -1.518 1.953 3.979 1.00 0.00 C ATOM 540 CD PRO A 37 -0.916 2.990 4.886 1.00 0.00 C ATOM 0 HA PRO A 37 0.520 0.282 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.058 -0.125 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.786 0.277 5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.171 2.082 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.605 2.035 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.656 3.898 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.606 3.280 5.678 1.00 0.00 H new ATOM 548 N ALA A 38 1.405 1.253 2.987 1.00 0.00 N ATOM 549 CA ALA A 38 2.391 1.012 1.941 1.00 0.00 C ATOM 550 C ALA A 38 3.794 0.893 2.526 1.00 0.00 C ATOM 551 O ALA A 38 4.691 0.329 1.900 1.00 0.00 O ATOM 552 CB ALA A 38 2.342 2.124 0.904 1.00 0.00 C ATOM 0 H ALA A 38 0.754 2.012 2.786 1.00 0.00 H new ATOM 0 HA ALA A 38 2.147 0.067 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.084 1.931 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.349 2.160 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.558 3.079 1.384 1.00 0.00 H new ATOM 558 N GLU A 39 3.976 1.428 3.729 1.00 0.00 N ATOM 559 CA GLU A 39 5.272 1.382 4.397 1.00 0.00 C ATOM 560 C GLU A 39 5.421 0.098 5.207 1.00 0.00 C ATOM 561 O GLU A 39 6.363 -0.668 5.007 1.00 0.00 O ATOM 562 CB GLU A 39 5.443 2.598 5.311 1.00 0.00 C ATOM 563 CG GLU A 39 6.865 2.790 5.808 1.00 0.00 C ATOM 564 CD GLU A 39 7.746 3.499 4.798 1.00 0.00 C ATOM 565 OE1 GLU A 39 7.337 3.599 3.622 1.00 0.00 O ATOM 566 OE2 GLU A 39 8.844 3.954 5.183 1.00 0.00 O ATOM 0 H GLU A 39 3.243 1.898 4.261 1.00 0.00 H new ATOM 0 HA GLU A 39 6.048 1.400 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.131 3.493 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.778 2.494 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.847 3.363 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.298 1.818 6.043 1.00 0.00 H new ATOM 573 N GLU A 40 4.484 -0.129 6.123 1.00 0.00 N ATOM 574 CA GLU A 40 4.512 -1.320 6.965 1.00 0.00 C ATOM 575 C GLU A 40 4.455 -2.587 6.117 1.00 0.00 C ATOM 576 O GLU A 40 5.235 -3.517 6.319 1.00 0.00 O ATOM 577 CB GLU A 40 3.344 -1.301 7.953 1.00 0.00 C ATOM 578 CG GLU A 40 2.074 -1.931 7.406 1.00 0.00 C ATOM 579 CD GLU A 40 0.983 -2.045 8.452 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.679 -1.027 9.107 1.00 0.00 O ATOM 581 OE2 GLU A 40 0.432 -3.154 8.615 1.00 0.00 O ATOM 0 H GLU A 40 3.697 0.495 6.301 1.00 0.00 H new ATOM 0 HA GLU A 40 5.449 -1.318 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.639 -1.827 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.135 -0.269 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.709 -1.336 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.303 -2.923 7.016 1.00 0.00 H new ATOM 588 N ALA A 41 3.525 -2.615 5.167 1.00 0.00 N ATOM 589 CA ALA A 41 3.367 -3.766 4.288 1.00 0.00 C ATOM 590 C ALA A 41 4.699 -4.172 3.668 1.00 0.00 C ATOM 591 O ALA A 41 5.209 -5.264 3.925 1.00 0.00 O ATOM 592 CB ALA A 41 2.347 -3.462 3.200 1.00 0.00 C ATOM 0 H ALA A 41 2.870 -1.854 4.987 1.00 0.00 H new ATOM 0 HA ALA A 41 3.006 -4.602 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.238 -4.330 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.386 -3.229 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.685 -2.609 2.612 1.00 0.00 H new ATOM 598 N LEU A 42 5.260 -3.287 2.851 1.00 0.00 N ATOM 599 CA LEU A 42 6.535 -3.553 2.194 1.00 0.00 C ATOM 600 C LEU A 42 7.528 -4.184 3.165 1.00 0.00 C ATOM 601 O LEU A 42 7.924 -5.338 3.003 1.00 0.00 O ATOM 602 CB LEU A 42 7.116 -2.259 1.621 1.00 0.00 C ATOM 603 CG LEU A 42 6.398 -1.683 0.400 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.659 -0.190 0.282 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.836 -2.405 -0.866 1.00 0.00 C ATOM 0 H LEU A 42 4.852 -2.379 2.628 1.00 0.00 H new ATOM 0 HA LEU A 42 6.356 -4.255 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.115 -1.504 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.157 -2.439 1.354 1.00 0.00 H new ATOM 0 HG LEU A 42 5.326 -1.834 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.140 0.202 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.295 0.315 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.730 -0.015 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.315 -1.982 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.911 -2.286 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.596 -3.465 -0.782 1.00 0.00 H new ATOM 617 N LYS A 43 7.924 -3.419 4.177 1.00 0.00 N ATOM 618 CA LYS A 43 8.868 -3.902 5.178 1.00 0.00 C ATOM 619 C LYS A 43 8.546 -5.338 5.581 1.00 0.00 C ATOM 620 O LYS A 43 9.423 -6.081 6.020 1.00 0.00 O ATOM 621 CB LYS A 43 8.842 -2.997 6.412 1.00 0.00 C ATOM 622 CG LYS A 43 9.303 -1.577 6.134 1.00 0.00 C ATOM 623 CD LYS A 43 10.809 -1.506 5.949 1.00 0.00 C ATOM 624 CE LYS A 43 11.522 -1.260 7.270 1.00 0.00 C ATOM 625 NZ LYS A 43 11.191 -2.302 8.281 1.00 0.00 N ATOM 0 H LYS A 43 7.606 -2.461 4.326 1.00 0.00 H new ATOM 0 HA LYS A 43 9.866 -3.881 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.828 -2.969 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.477 -3.432 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.807 -1.201 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.006 -0.929 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.167 -2.437 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.053 -0.708 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.599 -1.244 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.245 -0.279 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.852 -2.232 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.219 -2.159 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.271 -3.244 7.848 1.00 0.00 H new ATOM 639 N SER A 44 7.283 -5.722 5.426 1.00 0.00 N ATOM 640 CA SER A 44 6.845 -7.068 5.776 1.00 0.00 C ATOM 641 C SER A 44 6.858 -7.979 4.552 1.00 0.00 C ATOM 642 O SER A 44 7.064 -9.187 4.666 1.00 0.00 O ATOM 643 CB SER A 44 5.441 -7.030 6.382 1.00 0.00 C ATOM 644 OG SER A 44 5.246 -8.103 7.286 1.00 0.00 O ATOM 0 H SER A 44 6.545 -5.120 5.060 1.00 0.00 H new ATOM 0 HA SER A 44 7.540 -7.469 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.291 -6.083 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.697 -7.081 5.587 1.00 0.00 H new ATOM 0 HG SER A 44 4.342 -8.055 7.661 1.00 0.00 H new ATOM 650 N ASN A 45 6.638 -7.390 3.381 1.00 0.00 N ATOM 651 CA ASN A 45 6.623 -8.147 2.135 1.00 0.00 C ATOM 652 C ASN A 45 8.007 -8.165 1.493 1.00 0.00 C ATOM 653 O ASN A 45 8.137 -8.313 0.279 1.00 0.00 O ATOM 654 CB ASN A 45 5.605 -7.549 1.162 1.00 0.00 C ATOM 655 CG ASN A 45 4.174 -7.853 1.564 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.628 -8.898 1.212 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.561 -6.937 2.304 1.00 0.00 N ATOM 0 H ASN A 45 6.468 -6.391 3.269 1.00 0.00 H new ATOM 0 HA ASN A 45 6.335 -9.173 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.744 -6.469 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.789 -7.940 0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.598 -7.085 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.053 -6.085 2.572 1.00 0.00 H new ATOM 664 N ASN A 46 9.038 -8.012 2.318 1.00 0.00 N ATOM 665 CA ASN A 46 10.413 -8.010 1.831 1.00 0.00 C ATOM 666 C ASN A 46 10.617 -6.920 0.783 1.00 0.00 C ATOM 667 O ASN A 46 11.291 -7.133 -0.225 1.00 0.00 O ATOM 668 CB ASN A 46 10.768 -9.375 1.239 1.00 0.00 C ATOM 669 CG ASN A 46 10.415 -10.519 2.171 1.00 0.00 C ATOM 670 OD1 ASN A 46 9.296 -11.031 2.146 1.00 0.00 O ATOM 671 ND2 ASN A 46 11.371 -10.924 2.999 1.00 0.00 N ATOM 0 H ASN A 46 8.947 -7.888 3.326 1.00 0.00 H new ATOM 0 HA ASN A 46 11.071 -7.805 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.243 -9.505 0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.835 -9.406 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.192 -11.689 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.284 -10.470 2.985 1.00 0.00 H new ATOM 678 N MET A 47 10.032 -5.753 1.029 1.00 0.00 N ATOM 679 CA MET A 47 10.151 -4.629 0.108 1.00 0.00 C ATOM 680 C MET A 47 9.586 -4.987 -1.263 1.00 0.00 C ATOM 681 O MET A 47 10.191 -4.688 -2.291 1.00 0.00 O ATOM 682 CB MET A 47 11.615 -4.205 -0.026 1.00 0.00 C ATOM 683 CG MET A 47 12.421 -4.391 1.249 1.00 0.00 C ATOM 684 SD MET A 47 11.516 -3.878 2.723 1.00 0.00 S ATOM 685 CE MET A 47 11.036 -2.215 2.264 1.00 0.00 C ATOM 0 H MET A 47 9.471 -5.561 1.859 1.00 0.00 H new ATOM 0 HA MET A 47 9.575 -3.797 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.079 -4.780 -0.827 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.655 -3.157 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.703 -5.439 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.345 -3.818 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.017 -1.584 3.152 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.754 -1.813 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.045 -2.234 1.811 1.00 0.00 H new ATOM 695 N ASN A 48 8.422 -5.630 -1.269 1.00 0.00 N ATOM 696 CA ASN A 48 7.776 -6.030 -2.513 1.00 0.00 C ATOM 697 C ASN A 48 6.560 -5.155 -2.800 1.00 0.00 C ATOM 698 O ASN A 48 5.892 -4.680 -1.881 1.00 0.00 O ATOM 699 CB ASN A 48 7.357 -7.500 -2.445 1.00 0.00 C ATOM 700 CG ASN A 48 8.546 -8.440 -2.410 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.593 -8.113 -1.852 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.389 -9.615 -3.009 1.00 0.00 N ATOM 0 H ASN A 48 7.908 -5.885 -0.426 1.00 0.00 H new ATOM 0 HA ASN A 48 8.493 -5.901 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.745 -7.660 -1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.735 -7.738 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.155 -10.289 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.503 -9.844 -3.459 1.00 0.00 H new ATOM 709 N LEU A 49 6.278 -4.946 -4.081 1.00 0.00 N ATOM 710 CA LEU A 49 5.141 -4.128 -4.491 1.00 0.00 C ATOM 711 C LEU A 49 3.904 -4.990 -4.718 1.00 0.00 C ATOM 712 O LEU A 49 2.875 -4.801 -4.068 1.00 0.00 O ATOM 713 CB LEU A 49 5.478 -3.354 -5.767 1.00 0.00 C ATOM 714 CG LEU A 49 4.759 -2.017 -5.949 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.178 -1.033 -4.867 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.042 -1.444 -7.331 1.00 0.00 C ATOM 0 H LEU A 49 6.821 -5.331 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 49 4.926 -3.421 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.552 -3.172 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.248 -3.987 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 49 3.686 -2.188 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.656 -0.087 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.925 -1.440 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.254 -0.866 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.523 -0.492 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.114 -1.288 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.692 -2.141 -8.092 1.00 0.00 H new ATOM 728 N ASP A 50 4.011 -5.939 -5.641 1.00 0.00 N ATOM 729 CA ASP A 50 2.902 -6.834 -5.951 1.00 0.00 C ATOM 730 C ASP A 50 2.413 -7.548 -4.696 1.00 0.00 C ATOM 731 O ASP A 50 1.209 -7.661 -4.464 1.00 0.00 O ATOM 732 CB ASP A 50 3.325 -7.859 -7.005 1.00 0.00 C ATOM 733 CG ASP A 50 4.668 -8.489 -6.693 1.00 0.00 C ATOM 734 OD1 ASP A 50 4.698 -9.472 -5.924 1.00 0.00 O ATOM 735 OD2 ASP A 50 5.689 -7.999 -7.220 1.00 0.00 O ATOM 0 H ASP A 50 4.855 -6.109 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 50 2.083 -6.234 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.568 -8.640 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.372 -7.375 -7.980 1.00 0.00 H new ATOM 740 N GLN A 51 3.354 -8.030 -3.890 1.00 0.00 N ATOM 741 CA GLN A 51 3.018 -8.735 -2.659 1.00 0.00 C ATOM 742 C GLN A 51 2.320 -7.805 -1.672 1.00 0.00 C ATOM 743 O GLN A 51 1.286 -8.152 -1.103 1.00 0.00 O ATOM 744 CB GLN A 51 4.279 -9.322 -2.022 1.00 0.00 C ATOM 745 CG GLN A 51 4.759 -10.601 -2.689 1.00 0.00 C ATOM 746 CD GLN A 51 3.825 -11.771 -2.446 1.00 0.00 C ATOM 747 OE1 GLN A 51 2.784 -11.893 -3.092 1.00 0.00 O ATOM 748 NE2 GLN A 51 4.194 -12.639 -1.512 1.00 0.00 N ATOM 0 H GLN A 51 4.355 -7.945 -4.068 1.00 0.00 H new ATOM 0 HA GLN A 51 2.335 -9.547 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.076 -8.580 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.084 -9.523 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.854 -10.433 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.752 -10.850 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.065 -12.498 -1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.606 -13.447 -1.305 1.00 0.00 H new ATOM 757 N ALA A 52 2.894 -6.623 -1.474 1.00 0.00 N ATOM 758 CA ALA A 52 2.326 -5.643 -0.557 1.00 0.00 C ATOM 759 C ALA A 52 0.935 -5.210 -1.008 1.00 0.00 C ATOM 760 O ALA A 52 -0.043 -5.377 -0.279 1.00 0.00 O ATOM 761 CB ALA A 52 3.245 -4.435 -0.441 1.00 0.00 C ATOM 0 H ALA A 52 3.752 -6.321 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 52 2.232 -6.111 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.809 -3.711 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.218 -4.753 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.368 -3.976 -1.422 1.00 0.00 H new ATOM 767 N MET A 53 0.855 -4.654 -2.212 1.00 0.00 N ATOM 768 CA MET A 53 -0.418 -4.198 -2.759 1.00 0.00 C ATOM 769 C MET A 53 -1.556 -5.115 -2.324 1.00 0.00 C ATOM 770 O MET A 53 -2.512 -4.674 -1.686 1.00 0.00 O ATOM 771 CB MET A 53 -0.349 -4.140 -4.286 1.00 0.00 C ATOM 772 CG MET A 53 0.340 -2.893 -4.817 1.00 0.00 C ATOM 773 SD MET A 53 1.071 -3.144 -6.446 1.00 0.00 S ATOM 774 CE MET A 53 -0.400 -3.331 -7.452 1.00 0.00 C ATOM 0 H MET A 53 1.655 -4.508 -2.827 1.00 0.00 H new ATOM 0 HA MET A 53 -0.614 -3.198 -2.373 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.180 -5.020 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.361 -4.186 -4.689 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.382 -2.078 -4.869 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.118 -2.586 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.113 -3.459 -8.496 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.959 -4.206 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.024 -2.443 -7.353 1.00 0.00 H new ATOM 784 N SER A 54 -1.448 -6.393 -2.674 1.00 0.00 N ATOM 785 CA SER A 54 -2.471 -7.371 -2.323 1.00 0.00 C ATOM 786 C SER A 54 -2.799 -7.304 -0.834 1.00 0.00 C ATOM 787 O SER A 54 -3.960 -7.174 -0.449 1.00 0.00 O ATOM 788 CB SER A 54 -2.006 -8.781 -2.691 1.00 0.00 C ATOM 789 OG SER A 54 -2.972 -9.749 -2.321 1.00 0.00 O ATOM 0 H SER A 54 -0.662 -6.775 -3.200 1.00 0.00 H new ATOM 0 HA SER A 54 -3.373 -7.135 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.822 -8.838 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.061 -8.997 -2.193 1.00 0.00 H new ATOM 0 HG SER A 54 -2.652 -10.642 -2.568 1.00 0.00 H new ATOM 795 N ALA A 55 -1.766 -7.393 -0.003 1.00 0.00 N ATOM 796 CA ALA A 55 -1.942 -7.340 1.443 1.00 0.00 C ATOM 797 C ALA A 55 -2.766 -6.124 1.852 1.00 0.00 C ATOM 798 O ALA A 55 -3.282 -6.057 2.968 1.00 0.00 O ATOM 799 CB ALA A 55 -0.590 -7.323 2.140 1.00 0.00 C ATOM 0 H ALA A 55 -0.798 -7.502 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.485 -8.234 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.738 -7.283 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.036 -8.226 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.026 -6.447 1.819 1.00 0.00 H new ATOM 805 N LEU A 56 -2.885 -5.163 0.942 1.00 0.00 N ATOM 806 CA LEU A 56 -3.646 -3.947 1.208 1.00 0.00 C ATOM 807 C LEU A 56 -5.091 -4.098 0.746 1.00 0.00 C ATOM 808 O LEU A 56 -6.026 -3.768 1.478 1.00 0.00 O ATOM 809 CB LEU A 56 -2.996 -2.752 0.508 1.00 0.00 C ATOM 810 CG LEU A 56 -1.501 -2.557 0.762 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.916 -1.563 -0.230 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.258 -2.094 2.191 1.00 0.00 C ATOM 0 H LEU A 56 -2.464 -5.202 0.014 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.644 -3.774 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.151 -2.857 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.518 -1.847 0.818 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.001 -3.515 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.149 -1.437 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.056 -1.936 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.421 -0.603 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.188 -1.961 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.771 -1.147 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.640 -2.842 2.886 1.00 0.00 H new ATOM 824 N LEU A 57 -5.269 -4.599 -0.471 1.00 0.00 N ATOM 825 CA LEU A 57 -6.601 -4.795 -1.031 1.00 0.00 C ATOM 826 C LEU A 57 -7.366 -5.863 -0.255 1.00 0.00 C ATOM 827 O LEU A 57 -8.569 -5.737 -0.029 1.00 0.00 O ATOM 828 CB LEU A 57 -6.503 -5.192 -2.505 1.00 0.00 C ATOM 829 CG LEU A 57 -6.088 -4.084 -3.473 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.576 -4.053 -3.632 1.00 0.00 C ATOM 831 CD2 LEU A 57 -6.764 -4.272 -4.823 1.00 0.00 C ATOM 0 H LEU A 57 -4.507 -4.877 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.144 -3.854 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.788 -6.010 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.472 -5.579 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.409 -3.128 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.299 -3.258 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.112 -3.868 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.231 -5.011 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.456 -3.474 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.475 -5.235 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.846 -4.242 -4.695 1.00 0.00 H new ATOM 843 N GLU A 58 -6.658 -6.912 0.152 1.00 0.00 N ATOM 844 CA GLU A 58 -7.271 -8.000 0.905 1.00 0.00 C ATOM 845 C GLU A 58 -8.309 -7.466 1.887 1.00 0.00 C ATOM 846 O GLU A 58 -9.421 -7.988 1.979 1.00 0.00 O ATOM 847 CB GLU A 58 -6.202 -8.794 1.658 1.00 0.00 C ATOM 848 CG GLU A 58 -5.495 -9.830 0.800 1.00 0.00 C ATOM 849 CD GLU A 58 -5.027 -11.030 1.601 1.00 0.00 C ATOM 850 OE1 GLU A 58 -4.220 -10.841 2.535 1.00 0.00 O ATOM 851 OE2 GLU A 58 -5.467 -12.157 1.293 1.00 0.00 O ATOM 0 H GLU A 58 -5.661 -7.031 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.772 -8.660 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.462 -8.101 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.665 -9.294 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.169 -10.165 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.638 -9.367 0.311 1.00 0.00 H new ATOM 858 N LYS A 59 -7.939 -6.421 2.620 1.00 0.00 N ATOM 859 CA LYS A 59 -8.837 -5.814 3.595 1.00 0.00 C ATOM 860 C LYS A 59 -10.262 -5.749 3.056 1.00 0.00 C ATOM 861 O LYS A 59 -11.186 -6.309 3.646 1.00 0.00 O ATOM 862 CB LYS A 59 -8.353 -4.408 3.958 1.00 0.00 C ATOM 863 CG LYS A 59 -7.357 -4.385 5.105 1.00 0.00 C ATOM 864 CD LYS A 59 -6.498 -3.132 5.072 1.00 0.00 C ATOM 865 CE LYS A 59 -7.236 -1.935 5.653 1.00 0.00 C ATOM 866 NZ LYS A 59 -6.485 -0.666 5.445 1.00 0.00 N ATOM 0 H LYS A 59 -7.023 -5.977 2.557 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.834 -6.435 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.894 -3.953 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.214 -3.794 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.892 -4.436 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.718 -5.267 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.581 -3.304 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.206 -2.917 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.220 -1.855 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.398 -2.091 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.021 0.126 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.556 -0.732 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.353 -0.504 4.426 1.00 0.00 H new ATOM 880 N LYS A 60 -10.434 -5.063 1.931 1.00 0.00 N ATOM 881 CA LYS A 60 -11.746 -4.926 1.310 1.00 0.00 C ATOM 882 C LYS A 60 -11.644 -5.036 -0.208 1.00 0.00 C ATOM 883 O LYS A 60 -10.631 -4.665 -0.800 1.00 0.00 O ATOM 884 CB LYS A 60 -12.378 -3.586 1.694 1.00 0.00 C ATOM 885 CG LYS A 60 -12.812 -3.512 3.147 1.00 0.00 C ATOM 886 CD LYS A 60 -14.223 -4.045 3.336 1.00 0.00 C ATOM 887 CE LYS A 60 -15.260 -2.944 3.173 1.00 0.00 C ATOM 888 NZ LYS A 60 -15.306 -2.426 1.778 1.00 0.00 N ATOM 0 H LYS A 60 -9.680 -4.593 1.430 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.378 -5.736 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.664 -2.787 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.243 -3.406 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.120 -4.085 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.764 -2.478 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.414 -4.837 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.316 -4.490 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.242 -3.327 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.032 -2.126 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.214 -1.945 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.527 -1.753 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.210 -3.218 1.110 1.00 0.00 H new ATOM 902 N VAL A 61 -12.700 -5.547 -0.832 1.00 0.00 N ATOM 903 CA VAL A 61 -12.730 -5.704 -2.281 1.00 0.00 C ATOM 904 C VAL A 61 -13.366 -4.491 -2.952 1.00 0.00 C ATOM 905 O VAL A 61 -14.588 -4.348 -2.970 1.00 0.00 O ATOM 906 CB VAL A 61 -13.505 -6.969 -2.694 1.00 0.00 C ATOM 907 CG1 VAL A 61 -13.551 -7.097 -4.209 1.00 0.00 C ATOM 908 CG2 VAL A 61 -12.879 -8.205 -2.065 1.00 0.00 C ATOM 0 H VAL A 61 -13.547 -5.860 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.695 -5.798 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.529 -6.882 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.103 -7.997 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.048 -6.224 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.535 -7.162 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.439 -9.090 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.845 -8.299 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.904 -8.113 -0.979 1.00 0.00 H new ATOM 918 N ASP A 62 -12.528 -3.620 -3.503 1.00 0.00 N ATOM 919 CA ASP A 62 -13.007 -2.419 -4.177 1.00 0.00 C ATOM 920 C ASP A 62 -12.311 -2.236 -5.522 1.00 0.00 C ATOM 921 O ASP A 62 -11.341 -2.928 -5.830 1.00 0.00 O ATOM 922 CB ASP A 62 -12.777 -1.188 -3.298 1.00 0.00 C ATOM 923 CG ASP A 62 -11.455 -1.245 -2.557 1.00 0.00 C ATOM 924 OD1 ASP A 62 -11.269 -2.176 -1.746 1.00 0.00 O ATOM 925 OD2 ASP A 62 -10.607 -0.359 -2.790 1.00 0.00 O ATOM 0 H ASP A 62 -11.513 -3.723 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.076 -2.534 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.804 -0.292 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.591 -1.102 -2.578 1.00 0.00 H new ATOM 930 N VAL A 63 -12.815 -1.300 -6.320 1.00 0.00 N ATOM 931 CA VAL A 63 -12.242 -1.026 -7.633 1.00 0.00 C ATOM 932 C VAL A 63 -11.434 0.267 -7.620 1.00 0.00 C ATOM 933 O VAL A 63 -11.993 1.360 -7.537 1.00 0.00 O ATOM 934 CB VAL A 63 -13.335 -0.924 -8.712 1.00 0.00 C ATOM 935 CG1 VAL A 63 -14.534 -0.149 -8.188 1.00 0.00 C ATOM 936 CG2 VAL A 63 -12.781 -0.276 -9.972 1.00 0.00 C ATOM 0 H VAL A 63 -13.618 -0.719 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.583 -1.861 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.666 -1.931 -8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.296 -0.088 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.945 -0.659 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.222 0.857 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -13.567 -0.212 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.421 0.726 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.958 -0.877 -10.358 1.00 0.00 H new ATOM 946 N ASP A 64 -10.114 0.135 -7.704 1.00 0.00 N ATOM 947 CA ASP A 64 -9.228 1.292 -7.704 1.00 0.00 C ATOM 948 C ASP A 64 -8.607 1.501 -9.082 1.00 0.00 C ATOM 949 O ASP A 64 -8.134 0.555 -9.711 1.00 0.00 O ATOM 950 CB ASP A 64 -8.128 1.119 -6.656 1.00 0.00 C ATOM 951 CG ASP A 64 -7.582 -0.294 -6.618 1.00 0.00 C ATOM 952 OD1 ASP A 64 -8.150 -1.130 -5.884 1.00 0.00 O ATOM 953 OD2 ASP A 64 -6.586 -0.565 -7.321 1.00 0.00 O ATOM 0 H ASP A 64 -9.635 -0.763 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.821 2.172 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.315 1.814 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.522 1.380 -5.674 1.00 0.00 H new ATOM 958 N LYS A 65 -8.613 2.746 -9.545 1.00 0.00 N ATOM 959 CA LYS A 65 -8.050 3.081 -10.848 1.00 0.00 C ATOM 960 C LYS A 65 -6.701 2.398 -11.050 1.00 0.00 C ATOM 961 O LYS A 65 -5.943 2.208 -10.099 1.00 0.00 O ATOM 962 CB LYS A 65 -7.891 4.597 -10.984 1.00 0.00 C ATOM 963 CG LYS A 65 -6.780 5.172 -10.123 1.00 0.00 C ATOM 964 CD LYS A 65 -5.455 5.196 -10.865 1.00 0.00 C ATOM 965 CE LYS A 65 -5.368 6.383 -11.812 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.100 6.379 -12.592 1.00 0.00 N ATOM 0 H LYS A 65 -9.002 3.541 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.737 2.724 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.693 4.841 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.832 5.078 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.044 6.184 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.678 4.578 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.636 5.241 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.335 4.270 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.216 6.364 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.440 7.309 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.079 7.204 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.291 6.423 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.042 5.507 -13.157 1.00 0.00 H new ATOM 980 N ARG A 66 -6.409 2.032 -12.294 1.00 0.00 N ATOM 981 CA ARG A 66 -5.151 1.370 -12.620 1.00 0.00 C ATOM 982 C ARG A 66 -4.602 1.872 -13.952 1.00 0.00 C ATOM 983 O ARG A 66 -5.359 2.268 -14.837 1.00 0.00 O ATOM 984 CB ARG A 66 -5.348 -0.146 -12.676 1.00 0.00 C ATOM 985 CG ARG A 66 -4.068 -0.916 -12.958 1.00 0.00 C ATOM 986 CD ARG A 66 -4.256 -2.409 -12.738 1.00 0.00 C ATOM 987 NE ARG A 66 -5.341 -2.950 -13.553 1.00 0.00 N ATOM 988 CZ ARG A 66 -5.490 -4.244 -13.812 1.00 0.00 C ATOM 989 NH1 ARG A 66 -4.630 -5.125 -13.321 1.00 0.00 N ATOM 990 NH2 ARG A 66 -6.503 -4.659 -14.562 1.00 0.00 N ATOM 0 H ARG A 66 -7.026 2.183 -13.092 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.431 1.607 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.765 -0.485 -11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.081 -0.380 -13.448 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.752 -0.735 -13.986 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.271 -0.549 -12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.329 -2.930 -12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.465 -2.597 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.021 -2.298 -13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.851 -4.810 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.747 -6.118 -13.522 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.168 -3.984 -14.940 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.617 -5.653 -14.761 1.00 0.00 H new ATOM 1004 N GLY A 67 -3.279 1.853 -14.086 1.00 0.00 N ATOM 1005 CA GLY A 67 -2.651 2.309 -15.312 1.00 0.00 C ATOM 1006 C GLY A 67 -1.539 3.307 -15.057 1.00 0.00 C ATOM 1007 O GLY A 67 -1.696 4.502 -15.312 1.00 0.00 O ATOM 0 H GLY A 67 -2.631 1.530 -13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.249 1.451 -15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.404 2.765 -15.955 1.00 0.00 H new ATOM 1011 N LEU A 68 -0.412 2.818 -14.553 1.00 0.00 N ATOM 1012 CA LEU A 68 0.732 3.675 -14.261 1.00 0.00 C ATOM 1013 C LEU A 68 1.258 4.332 -15.533 1.00 0.00 C ATOM 1014 O LEU A 68 1.253 5.556 -15.661 1.00 0.00 O ATOM 1015 CB LEU A 68 1.844 2.866 -13.593 1.00 0.00 C ATOM 1016 CG LEU A 68 1.627 2.513 -12.122 1.00 0.00 C ATOM 1017 CD1 LEU A 68 2.527 1.358 -11.711 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.880 3.727 -11.239 1.00 0.00 C ATOM 0 H LEU A 68 -0.265 1.832 -14.338 1.00 0.00 H new ATOM 0 HA LEU A 68 0.403 4.459 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.978 1.940 -14.152 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.775 3.427 -13.678 1.00 0.00 H new ATOM 0 HG LEU A 68 0.590 2.203 -11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.358 1.121 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.299 0.484 -12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.570 1.640 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.721 3.457 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.907 4.067 -11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.194 4.527 -11.516 1.00 0.00 H new ATOM 1030 N GLY A 69 1.710 3.509 -16.475 1.00 0.00 N ATOM 1031 CA GLY A 69 2.232 4.028 -17.726 1.00 0.00 C ATOM 1032 C GLY A 69 1.357 5.119 -18.310 1.00 0.00 C ATOM 1033 O GLY A 69 0.132 4.999 -18.331 1.00 0.00 O ATOM 0 H GLY A 69 1.724 2.492 -16.394 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.236 4.420 -17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.321 3.214 -18.445 1.00 0.00 H new ATOM 1037 N VAL A 70 1.987 6.189 -18.785 1.00 0.00 N ATOM 1038 CA VAL A 70 1.258 7.308 -19.372 1.00 0.00 C ATOM 1039 C VAL A 70 0.969 7.061 -20.848 1.00 0.00 C ATOM 1040 O VAL A 70 1.883 6.832 -21.642 1.00 0.00 O ATOM 1041 CB VAL A 70 2.042 8.626 -19.226 1.00 0.00 C ATOM 1042 CG1 VAL A 70 2.261 8.958 -17.758 1.00 0.00 C ATOM 1043 CG2 VAL A 70 3.368 8.542 -19.966 1.00 0.00 C ATOM 0 H VAL A 70 3.000 6.305 -18.775 1.00 0.00 H new ATOM 0 HA VAL A 70 0.316 7.393 -18.830 1.00 0.00 H new ATOM 0 HB VAL A 70 1.454 9.429 -19.671 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.816 9.892 -17.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.297 9.064 -17.261 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.827 8.156 -17.284 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.908 9.482 -19.852 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.964 7.728 -19.553 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.183 8.356 -21.024 1.00 0.00 H new ATOM 1053 N THR A 71 -0.308 7.110 -21.212 1.00 0.00 N ATOM 1054 CA THR A 71 -0.719 6.892 -22.593 1.00 0.00 C ATOM 1055 C THR A 71 -0.444 8.122 -23.449 1.00 0.00 C ATOM 1056 O THR A 71 -0.901 9.222 -23.138 1.00 0.00 O ATOM 1057 CB THR A 71 -2.216 6.540 -22.685 1.00 0.00 C ATOM 1058 OG1 THR A 71 -2.513 5.431 -21.829 1.00 0.00 O ATOM 1059 CG2 THR A 71 -2.605 6.201 -24.116 1.00 0.00 C ATOM 0 H THR A 71 -1.077 7.299 -20.569 1.00 0.00 H new ATOM 0 HA THR A 71 -0.133 6.053 -22.968 1.00 0.00 H new ATOM 0 HB THR A 71 -2.791 7.409 -22.365 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.467 5.215 -21.892 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.666 5.956 -24.156 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.406 7.058 -24.760 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.022 5.346 -24.459 1.00 0.00 H new ATOM 1067 N ASP A 72 0.305 7.929 -24.530 1.00 0.00 N ATOM 1068 CA ASP A 72 0.640 9.024 -25.433 1.00 0.00 C ATOM 1069 C ASP A 72 0.700 8.538 -26.877 1.00 0.00 C ATOM 1070 O ASP A 72 0.702 7.334 -27.139 1.00 0.00 O ATOM 1071 CB ASP A 72 1.978 9.650 -25.036 1.00 0.00 C ATOM 1072 CG ASP A 72 1.889 10.436 -23.744 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.172 11.458 -23.719 1.00 0.00 O ATOM 1074 OD2 ASP A 72 2.538 10.031 -22.756 1.00 0.00 O ATOM 0 H ASP A 72 0.691 7.025 -24.802 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.142 9.779 -25.355 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.726 8.864 -24.929 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.319 10.308 -25.835 1.00 0.00 H new ATOM 1079 N HIS A 73 0.748 9.481 -27.813 1.00 0.00 N ATOM 1080 CA HIS A 73 0.807 9.148 -29.232 1.00 0.00 C ATOM 1081 C HIS A 73 2.139 9.582 -29.836 1.00 0.00 C ATOM 1082 O HIS A 73 2.792 10.495 -29.333 1.00 0.00 O ATOM 1083 CB HIS A 73 -0.347 9.814 -29.982 1.00 0.00 C ATOM 1084 CG HIS A 73 -1.700 9.397 -29.491 1.00 0.00 C ATOM 1085 ND1 HIS A 73 -2.284 9.923 -28.358 1.00 0.00 N ATOM 1086 CD2 HIS A 73 -2.585 8.502 -29.988 1.00 0.00 C ATOM 1087 CE1 HIS A 73 -3.468 9.367 -28.178 1.00 0.00 C ATOM 1088 NE2 HIS A 73 -3.675 8.501 -29.153 1.00 0.00 N ATOM 0 H HIS A 73 0.747 10.481 -27.614 1.00 0.00 H new ATOM 0 HA HIS A 73 0.718 8.066 -29.330 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.253 10.896 -29.889 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.265 9.577 -31.043 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.458 7.901 -30.876 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.151 9.584 -27.370 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.509 7.925 -29.267 1.00 0.00 H new ATOM 1097 N ASN A 74 2.536 8.919 -30.918 1.00 0.00 N ATOM 1098 CA ASN A 74 3.792 9.235 -31.590 1.00 0.00 C ATOM 1099 C ASN A 74 3.584 9.368 -33.095 1.00 0.00 C ATOM 1100 O ASN A 74 3.915 10.392 -33.690 1.00 0.00 O ATOM 1101 CB ASN A 74 4.835 8.154 -31.300 1.00 0.00 C ATOM 1102 CG ASN A 74 5.640 8.448 -30.049 1.00 0.00 C ATOM 1103 OD1 ASN A 74 6.472 9.356 -30.032 1.00 0.00 O ATOM 1104 ND2 ASN A 74 5.397 7.678 -28.995 1.00 0.00 N ATOM 0 H ASN A 74 2.007 8.160 -31.348 1.00 0.00 H new ATOM 0 HA ASN A 74 4.152 10.189 -31.206 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.336 7.191 -31.189 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.510 8.067 -32.151 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.909 7.827 -28.125 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.698 6.937 -29.055 1.00 0.00 H new ATOM 1111 N GLY A 75 3.033 8.323 -33.706 1.00 0.00 N ATOM 1112 CA GLY A 75 2.790 8.343 -35.136 1.00 0.00 C ATOM 1113 C GLY A 75 3.896 7.666 -35.921 1.00 0.00 C ATOM 1114 O GLY A 75 4.900 8.293 -36.259 1.00 0.00 O ATOM 0 H GLY A 75 2.751 7.463 -33.235 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.843 7.847 -35.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.691 9.376 -35.470 1.00 0.00 H new ATOM 1118 N MET A 76 3.713 6.382 -36.211 1.00 0.00 N ATOM 1119 CA MET A 76 4.704 5.619 -36.961 1.00 0.00 C ATOM 1120 C MET A 76 4.116 4.302 -37.457 1.00 0.00 C ATOM 1121 O MET A 76 3.250 3.715 -36.808 1.00 0.00 O ATOM 1122 CB MET A 76 5.934 5.347 -36.093 1.00 0.00 C ATOM 1123 CG MET A 76 5.684 4.337 -34.984 1.00 0.00 C ATOM 1124 SD MET A 76 7.047 4.245 -33.808 1.00 0.00 S ATOM 1125 CE MET A 76 6.172 4.448 -32.258 1.00 0.00 C ATOM 0 H MET A 76 2.888 5.848 -35.938 1.00 0.00 H new ATOM 0 HA MET A 76 5.002 6.211 -37.826 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.743 4.985 -36.727 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.271 6.284 -35.650 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.770 4.604 -34.454 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.522 3.353 -35.424 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.882 4.413 -31.432 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.657 5.409 -32.254 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.443 3.645 -32.144 1.00 0.00 H new ATOM 1135 N ALA A 77 4.592 3.843 -38.609 1.00 0.00 N ATOM 1136 CA ALA A 77 4.114 2.594 -39.190 1.00 0.00 C ATOM 1137 C ALA A 77 5.278 1.714 -39.634 1.00 0.00 C ATOM 1138 O ALA A 77 5.396 0.565 -39.209 1.00 0.00 O ATOM 1139 CB ALA A 77 3.188 2.878 -40.363 1.00 0.00 C ATOM 0 H ALA A 77 5.308 4.317 -39.159 1.00 0.00 H new ATOM 0 HA ALA A 77 3.557 2.055 -38.423 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.839 1.937 -40.787 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.333 3.460 -40.019 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.728 3.441 -41.125 1.00 0.00 H new ATOM 1145 N ALA A 78 6.134 2.261 -40.491 1.00 0.00 N ATOM 1146 CA ALA A 78 7.289 1.526 -40.991 1.00 0.00 C ATOM 1147 C ALA A 78 6.919 0.085 -41.326 1.00 0.00 C ATOM 1148 O ALA A 78 7.697 -0.839 -41.086 1.00 0.00 O ATOM 1149 CB ALA A 78 8.418 1.559 -39.971 1.00 0.00 C ATOM 0 H ALA A 78 6.049 3.211 -40.853 1.00 0.00 H new ATOM 0 HA ALA A 78 7.628 2.010 -41.907 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.274 1.006 -40.358 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.708 2.593 -39.783 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.081 1.102 -39.041 1.00 0.00 H new ATOM 1155 N LYS A 79 5.727 -0.101 -41.883 1.00 0.00 N ATOM 1156 CA LYS A 79 5.253 -1.429 -42.252 1.00 0.00 C ATOM 1157 C LYS A 79 5.995 -1.950 -43.479 1.00 0.00 C ATOM 1158 O LYS A 79 5.483 -1.892 -44.597 1.00 0.00 O ATOM 1159 CB LYS A 79 3.748 -1.398 -42.529 1.00 0.00 C ATOM 1160 CG LYS A 79 3.318 -0.249 -43.424 1.00 0.00 C ATOM 1161 CD LYS A 79 1.874 -0.402 -43.873 1.00 0.00 C ATOM 1162 CE LYS A 79 1.564 0.491 -45.064 1.00 0.00 C ATOM 1163 NZ LYS A 79 1.470 1.925 -44.674 1.00 0.00 N ATOM 0 H LYS A 79 5.071 0.653 -42.089 1.00 0.00 H new ATOM 0 HA LYS A 79 5.449 -2.102 -41.417 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.453 -2.339 -42.993 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.214 -1.329 -41.581 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.436 0.694 -42.889 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.969 -0.204 -44.297 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.682 -1.442 -44.137 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.207 -0.154 -43.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.340 0.371 -45.820 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.625 0.176 -45.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.258 2.500 -45.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.712 2.045 -43.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.374 2.233 -44.263 1.00 0.00 H new ATOM 1177 N SER A 80 7.203 -2.460 -43.262 1.00 0.00 N ATOM 1178 CA SER A 80 8.017 -2.988 -44.351 1.00 0.00 C ATOM 1179 C SER A 80 8.268 -4.482 -44.166 1.00 0.00 C ATOM 1180 O SER A 80 8.457 -4.957 -43.046 1.00 0.00 O ATOM 1181 CB SER A 80 9.350 -2.242 -44.429 1.00 0.00 C ATOM 1182 OG SER A 80 10.035 -2.546 -45.631 1.00 0.00 O ATOM 0 H SER A 80 7.640 -2.519 -42.342 1.00 0.00 H new ATOM 0 HA SER A 80 7.472 -2.841 -45.283 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.173 -1.168 -44.369 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.971 -2.511 -43.575 1.00 0.00 H new ATOM 0 HG SER A 80 10.883 -2.055 -45.657 1.00 0.00 H new ATOM 1188 N GLY A 81 8.268 -5.218 -45.273 1.00 0.00 N ATOM 1189 CA GLY A 81 8.496 -6.649 -45.213 1.00 0.00 C ATOM 1190 C GLY A 81 8.074 -7.358 -46.484 1.00 0.00 C ATOM 1191 O GLY A 81 7.035 -8.016 -46.539 1.00 0.00 O ATOM 0 H GLY A 81 8.114 -4.848 -46.211 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.554 -6.838 -45.030 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.947 -7.066 -44.369 1.00 0.00 H new ATOM 1195 N PRO A 82 8.892 -7.225 -47.539 1.00 0.00 N ATOM 1196 CA PRO A 82 8.619 -7.850 -48.837 1.00 0.00 C ATOM 1197 C PRO A 82 8.763 -9.367 -48.791 1.00 0.00 C ATOM 1198 O PRO A 82 9.837 -9.889 -48.491 1.00 0.00 O ATOM 1199 CB PRO A 82 9.679 -7.239 -49.756 1.00 0.00 C ATOM 1200 CG PRO A 82 10.793 -6.854 -48.844 1.00 0.00 C ATOM 1201 CD PRO A 82 10.147 -6.455 -47.546 1.00 0.00 C ATOM 0 HA PRO A 82 7.596 -7.672 -49.168 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.012 -7.955 -50.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.288 -6.374 -50.291 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.482 -7.686 -48.697 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.372 -6.030 -49.261 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.776 -6.704 -46.691 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.960 -5.382 -47.503 1.00 0.00 H new ATOM 1209 N SER A 83 7.676 -10.070 -49.092 1.00 0.00 N ATOM 1210 CA SER A 83 7.681 -11.528 -49.083 1.00 0.00 C ATOM 1211 C SER A 83 7.564 -12.082 -50.499 1.00 0.00 C ATOM 1212 O SER A 83 6.466 -12.197 -51.044 1.00 0.00 O ATOM 1213 CB SER A 83 6.535 -12.058 -48.219 1.00 0.00 C ATOM 1214 OG SER A 83 5.298 -11.482 -48.605 1.00 0.00 O ATOM 0 H SER A 83 6.780 -9.653 -49.345 1.00 0.00 H new ATOM 0 HA SER A 83 8.629 -11.860 -48.660 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.479 -13.143 -48.309 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.732 -11.835 -47.170 1.00 0.00 H new ATOM 0 HG SER A 83 5.246 -11.443 -49.583 1.00 0.00 H new ATOM 1220 N SER A 84 8.704 -12.422 -51.091 1.00 0.00 N ATOM 1221 CA SER A 84 8.731 -12.960 -52.447 1.00 0.00 C ATOM 1222 C SER A 84 9.125 -14.434 -52.439 1.00 0.00 C ATOM 1223 O SER A 84 9.748 -14.916 -51.494 1.00 0.00 O ATOM 1224 CB SER A 84 9.708 -12.164 -53.314 1.00 0.00 C ATOM 1225 OG SER A 84 9.385 -10.784 -53.312 1.00 0.00 O ATOM 0 H SER A 84 9.621 -12.335 -50.654 1.00 0.00 H new ATOM 0 HA SER A 84 7.729 -12.872 -52.867 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.724 -12.303 -52.944 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.686 -12.544 -54.335 1.00 0.00 H new ATOM 0 HG SER A 84 10.025 -10.297 -53.872 1.00 0.00 H new ATOM 1231 N GLY A 85 8.756 -15.144 -53.500 1.00 0.00 N ATOM 1232 CA GLY A 85 9.078 -16.556 -53.596 1.00 0.00 C ATOM 1233 C GLY A 85 9.798 -16.900 -54.885 1.00 0.00 C ATOM 1234 O GLY A 85 9.472 -16.369 -55.947 1.00 0.00 O ATOM 0 H GLY A 85 8.240 -14.767 -54.295 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.701 -16.842 -52.748 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.160 -17.140 -53.529 1.00 0.00 H new TER 1238 GLY A 85