USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 426 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 57 LYS NZ :NH3+ 171:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 60 THR OG1 : rot -120:sc= 1.02 USER MOD Set 2.1: A 24 ASN : amide:sc= 1 K(o=2.3,f=-8.9!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 14 SER OG : rot -154:sc= 1.16 USER MOD Set 3.2: A 21 TYR OH : rot 30:sc= 0.987 USER MOD Set 4.1: A 9 SER OG : rot -56:sc= 0.168 USER MOD Set 4.2: A 12 LYS NZ :NH3+ 159:sc= 1.28 (180deg=0.11) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= -0.118 (180deg=-0.271) USER MOD Single : A 3 ASN : amide:sc= 1.07 K(o=1.1,f=-8.1!) USER MOD Single : A 5 TYR OH : rot -21:sc= 1.41 USER MOD Single : A 10 SER OG : rot 180:sc=-0.00983 USER MOD Single : A 19 ASN : amide:sc= 0.215 K(o=0.21,f=-6.1!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 23 ASN : amide:sc= 1 K(o=1,f=-2.7!) USER MOD Single : A 27 THR OG1 : rot -14:sc= 0.234 USER MOD Single : A 30 TYR OH : rot 111:sc= 1.23 USER MOD Single : A 31 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -35:sc= 0.89 USER MOD Single : A 41 SER OG : rot -29:sc= 0.542 USER MOD Single : A 43 TYR OH : rot 135:sc= 1.07 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 3.18 (180deg=0.0661!) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= -0.0715 (180deg=-0.102) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.00723) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.17 K(o=1.2,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 6.497 2.793 -8.196 1.00 0.00 N ATOM 20 CA LYS A 2 7.015 3.487 -7.029 1.00 0.00 C ATOM 21 C LYS A 2 6.250 2.900 -5.842 1.00 0.00 C ATOM 22 O LYS A 2 5.812 1.755 -5.876 1.00 0.00 O ATOM 23 CB LYS A 2 6.851 5.010 -7.217 1.00 0.00 C ATOM 24 CG LYS A 2 5.424 5.444 -7.596 1.00 0.00 C ATOM 25 CD LYS A 2 4.634 6.167 -6.497 1.00 0.00 C ATOM 26 CE LYS A 2 4.969 7.626 -6.150 1.00 0.00 C ATOM 27 NZ LYS A 2 4.072 8.121 -5.073 1.00 0.00 N ATOM 0 HA LYS A 2 8.083 3.348 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.140 5.513 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.540 5.346 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.482 6.098 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.863 4.560 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.581 6.133 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.740 5.583 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.008 7.701 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.863 8.251 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.375 9.071 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.095 8.163 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.118 7.475 -4.259 1.00 0.00 H new ATOM 37 N ASN A 3 6.029 3.680 -4.793 1.00 0.00 N ATOM 38 CA ASN A 3 4.958 3.408 -3.839 1.00 0.00 C ATOM 39 C ASN A 3 3.638 3.151 -4.587 1.00 0.00 C ATOM 40 O ASN A 3 3.420 3.690 -5.673 1.00 0.00 O ATOM 41 CB ASN A 3 4.767 4.619 -2.919 1.00 0.00 C ATOM 42 CG ASN A 3 6.039 5.315 -2.451 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.137 4.769 -2.467 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.884 6.567 -2.071 1.00 0.00 N ATOM 0 H ASN A 3 6.580 4.511 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 3 5.228 2.529 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.148 5.350 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.209 4.297 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.693 7.115 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.955 6.989 -2.070 1.00 0.00 H new ATOM 50 N GLY A 4 2.721 2.382 -4.016 1.00 0.00 N ATOM 51 CA GLY A 4 1.378 2.286 -4.560 1.00 0.00 C ATOM 52 C GLY A 4 0.511 1.563 -3.553 1.00 0.00 C ATOM 53 O GLY A 4 0.873 1.466 -2.382 1.00 0.00 O ATOM 0 H GLY A 4 2.883 1.819 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.978 3.280 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.389 1.748 -5.508 1.00 0.00 H new ATOM 57 N TYR A 5 -0.616 1.031 -4.020 1.00 0.00 N ATOM 58 CA TYR A 5 -1.390 0.073 -3.261 1.00 0.00 C ATOM 59 C TYR A 5 -1.186 -1.289 -3.872 1.00 0.00 C ATOM 60 O TYR A 5 -1.431 -1.437 -5.064 1.00 0.00 O ATOM 61 CB TYR A 5 -2.893 0.386 -3.354 1.00 0.00 C ATOM 62 CG TYR A 5 -3.622 1.341 -2.428 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.028 2.509 -1.922 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.018 1.197 -2.344 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.813 3.447 -1.210 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.814 2.207 -1.788 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.207 3.294 -1.151 1.00 0.00 C ATOM 68 OH TYR A 5 -5.984 4.149 -0.431 1.00 0.00 O ATOM 0 H TYR A 5 -1.011 1.256 -4.933 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.068 0.113 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.065 0.753 -4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.408 -0.571 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.975 2.691 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.483 0.295 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.340 4.280 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.890 2.146 -1.851 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.434 4.605 0.240 1.00 0.00 H new ATOM 77 N ALA A 6 -0.788 -2.270 -3.064 1.00 0.00 N ATOM 78 CA ALA A 6 -0.601 -3.618 -3.580 1.00 0.00 C ATOM 79 C ALA A 6 -1.842 -4.436 -3.244 1.00 0.00 C ATOM 80 O ALA A 6 -2.389 -4.264 -2.155 1.00 0.00 O ATOM 81 CB ALA A 6 0.668 -4.214 -2.990 1.00 0.00 C ATOM 0 H ALA A 6 -0.593 -2.158 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.479 -3.615 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.809 -5.224 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.523 -3.597 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.583 -4.249 -1.904 1.00 0.00 H new ATOM 87 N VAL A 7 -2.317 -5.261 -4.186 1.00 0.00 N ATOM 88 CA VAL A 7 -3.576 -5.986 -4.045 1.00 0.00 C ATOM 89 C VAL A 7 -3.365 -7.494 -4.214 1.00 0.00 C ATOM 90 O VAL A 7 -2.508 -7.908 -4.995 1.00 0.00 O ATOM 91 CB VAL A 7 -4.622 -5.390 -5.002 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.735 -3.881 -4.736 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.292 -5.611 -6.487 1.00 0.00 C ATOM 0 H VAL A 7 -1.835 -5.441 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.966 -5.864 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.562 -5.906 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.474 -3.447 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.043 -3.716 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.768 -3.408 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.072 -5.165 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.334 -5.145 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.235 -6.680 -6.692 1.00 0.00 H new ATOM 103 N ASP A 8 -4.123 -8.296 -3.458 1.00 0.00 N ATOM 104 CA ASP A 8 -3.945 -9.711 -3.221 1.00 0.00 C ATOM 105 C ASP A 8 -4.437 -10.526 -4.423 1.00 0.00 C ATOM 106 O ASP A 8 -3.977 -10.343 -5.547 1.00 0.00 O ATOM 107 CB ASP A 8 -4.819 -10.002 -1.998 1.00 0.00 C ATOM 108 CG ASP A 8 -4.435 -9.281 -0.716 1.00 0.00 C ATOM 109 OD1 ASP A 8 -3.236 -9.346 -0.370 1.00 0.00 O ATOM 110 OD2 ASP A 8 -5.349 -8.694 -0.102 1.00 0.00 O ATOM 0 H ASP A 8 -4.937 -7.932 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.899 -9.976 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.849 -9.742 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.797 -11.075 -1.808 1.00 0.00 H new ATOM 114 N SER A 9 -5.460 -11.371 -4.222 1.00 0.00 N ATOM 115 CA SER A 9 -6.248 -11.996 -5.267 1.00 0.00 C ATOM 116 C SER A 9 -7.152 -10.933 -5.902 1.00 0.00 C ATOM 117 O SER A 9 -8.381 -11.007 -5.825 1.00 0.00 O ATOM 118 CB SER A 9 -7.026 -13.180 -4.665 1.00 0.00 C ATOM 119 OG SER A 9 -7.898 -13.792 -5.598 1.00 0.00 O ATOM 0 H SER A 9 -5.764 -11.641 -3.286 1.00 0.00 H new ATOM 0 HA SER A 9 -5.620 -12.400 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.320 -13.922 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.603 -12.832 -3.808 1.00 0.00 H new ATOM 0 HG SER A 9 -8.509 -13.119 -5.965 1.00 0.00 H new ATOM 124 N SER A 10 -6.532 -9.935 -6.525 1.00 0.00 N ATOM 125 CA SER A 10 -7.101 -9.145 -7.602 1.00 0.00 C ATOM 126 C SER A 10 -7.918 -8.011 -7.012 1.00 0.00 C ATOM 127 O SER A 10 -9.142 -7.982 -7.102 1.00 0.00 O ATOM 128 CB SER A 10 -7.884 -10.012 -8.601 1.00 0.00 C ATOM 129 OG SER A 10 -7.130 -11.160 -8.944 1.00 0.00 O ATOM 0 H SER A 10 -5.584 -9.647 -6.281 1.00 0.00 H new ATOM 0 HA SER A 10 -6.297 -8.703 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.838 -10.310 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.109 -9.434 -9.497 1.00 0.00 H new ATOM 0 HG SER A 10 -7.638 -11.707 -9.579 1.00 0.00 H new ATOM 134 N GLY A 11 -7.199 -7.086 -6.382 1.00 0.00 N ATOM 135 CA GLY A 11 -7.755 -5.838 -5.885 1.00 0.00 C ATOM 136 C GLY A 11 -8.373 -5.956 -4.494 1.00 0.00 C ATOM 137 O GLY A 11 -8.763 -4.950 -3.908 1.00 0.00 O ATOM 0 H GLY A 11 -6.200 -7.187 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.969 -5.083 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.515 -5.485 -6.582 1.00 0.00 H new ATOM 141 N LYS A 12 -8.425 -7.172 -3.946 1.00 0.00 N ATOM 142 CA LYS A 12 -8.652 -7.363 -2.524 1.00 0.00 C ATOM 143 C LYS A 12 -7.408 -6.839 -1.795 1.00 0.00 C ATOM 144 O LYS A 12 -6.308 -6.913 -2.347 1.00 0.00 O ATOM 145 CB LYS A 12 -8.899 -8.848 -2.233 1.00 0.00 C ATOM 146 CG LYS A 12 -10.059 -9.427 -3.060 1.00 0.00 C ATOM 147 CD LYS A 12 -10.178 -10.930 -2.775 1.00 0.00 C ATOM 148 CE LYS A 12 -11.176 -11.660 -3.690 1.00 0.00 C ATOM 149 NZ LYS A 12 -10.821 -11.557 -5.121 1.00 0.00 N ATOM 0 H LYS A 12 -8.312 -8.038 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.533 -6.821 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.990 -9.412 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.115 -8.976 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.991 -8.921 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.884 -9.259 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.196 -11.390 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.481 -11.070 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.220 -12.711 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.173 -11.246 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.283 -12.324 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.140 -10.640 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.790 -11.634 -5.229 1.00 0.00 H new ATOM 159 N VAL A 13 -7.599 -6.258 -0.610 1.00 0.00 N ATOM 160 CA VAL A 13 -6.553 -5.645 0.193 1.00 0.00 C ATOM 161 C VAL A 13 -6.835 -5.901 1.666 1.00 0.00 C ATOM 162 O VAL A 13 -7.995 -6.031 2.062 1.00 0.00 O ATOM 163 CB VAL A 13 -6.517 -4.125 -0.057 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.074 -3.839 -1.488 1.00 0.00 C ATOM 165 CG2 VAL A 13 -7.868 -3.438 0.199 1.00 0.00 C ATOM 0 H VAL A 13 -8.519 -6.202 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.592 -6.078 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.802 -3.714 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.052 -2.762 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.078 -4.251 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.775 -4.299 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.775 -2.369 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.623 -3.863 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.165 -3.594 1.236 1.00 0.00 H new ATOM 175 N SER A 14 -5.789 -5.868 2.492 1.00 0.00 N ATOM 176 CA SER A 14 -5.947 -5.682 3.921 1.00 0.00 C ATOM 177 C SER A 14 -6.370 -4.232 4.166 1.00 0.00 C ATOM 178 O SER A 14 -5.555 -3.327 3.994 1.00 0.00 O ATOM 179 CB SER A 14 -4.634 -5.997 4.641 1.00 0.00 C ATOM 180 OG SER A 14 -4.190 -7.292 4.292 1.00 0.00 O ATOM 0 H SER A 14 -4.821 -5.969 2.187 1.00 0.00 H new ATOM 0 HA SER A 14 -6.708 -6.358 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.877 -5.260 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.776 -5.931 5.720 1.00 0.00 H new ATOM 0 HG SER A 14 -3.628 -7.650 5.011 1.00 0.00 H new ATOM 185 N GLU A 15 -7.630 -4.015 4.551 1.00 0.00 N ATOM 186 CA GLU A 15 -8.145 -2.717 4.951 1.00 0.00 C ATOM 187 C GLU A 15 -7.351 -2.217 6.163 1.00 0.00 C ATOM 188 O GLU A 15 -6.591 -1.257 6.057 1.00 0.00 O ATOM 189 CB GLU A 15 -9.648 -2.877 5.230 1.00 0.00 C ATOM 190 CG GLU A 15 -10.322 -1.525 5.433 1.00 0.00 C ATOM 191 CD GLU A 15 -11.819 -1.668 5.673 1.00 0.00 C ATOM 192 OE1 GLU A 15 -12.177 -2.548 6.485 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.572 -0.901 5.035 1.00 0.00 O ATOM 0 H GLU A 15 -8.329 -4.756 4.592 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.027 -1.965 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.121 -3.400 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.791 -3.494 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.865 -1.015 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.153 -0.900 4.556 1.00 0.00 H new ATOM 198 N CYS A 16 -7.498 -2.952 7.272 1.00 0.00 N ATOM 199 CA CYS A 16 -6.623 -2.989 8.444 1.00 0.00 C ATOM 200 C CYS A 16 -6.376 -1.648 9.149 1.00 0.00 C ATOM 201 O CYS A 16 -6.943 -0.618 8.799 1.00 0.00 O ATOM 202 CB CYS A 16 -5.334 -3.758 8.117 1.00 0.00 C ATOM 203 SG CYS A 16 -4.117 -2.991 7.013 1.00 0.00 S ATOM 0 H CYS A 16 -8.292 -3.583 7.379 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.176 -3.537 9.207 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.833 -3.978 9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.622 -4.714 7.678 1.00 0.00 H new ATOM 207 N LEU A 17 -5.566 -1.694 10.213 1.00 0.00 N ATOM 208 CA LEU A 17 -5.161 -0.559 11.021 1.00 0.00 C ATOM 209 C LEU A 17 -3.636 -0.527 11.216 1.00 0.00 C ATOM 210 O LEU A 17 -3.016 0.527 11.088 1.00 0.00 O ATOM 211 CB LEU A 17 -5.894 -0.593 12.369 1.00 0.00 C ATOM 212 CG LEU A 17 -6.046 -1.974 13.040 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.969 -1.818 14.564 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.387 -2.631 12.687 1.00 0.00 C ATOM 0 H LEU A 17 -5.161 -2.570 10.542 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.436 0.357 10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.367 0.065 13.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.889 -0.173 12.226 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.238 -2.607 12.674 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.077 -2.795 15.036 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.006 -1.387 14.837 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.770 -1.161 14.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.457 -3.602 13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.204 -1.994 13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.453 -2.765 11.607 1.00 0.00 H new ATOM 225 N LEU A 18 -3.014 -1.662 11.559 1.00 0.00 N ATOM 226 CA LEU A 18 -1.613 -1.699 11.952 1.00 0.00 C ATOM 227 C LEU A 18 -0.667 -1.394 10.785 1.00 0.00 C ATOM 228 O LEU A 18 -0.572 -2.143 9.812 1.00 0.00 O ATOM 229 CB LEU A 18 -1.282 -3.053 12.580 1.00 0.00 C ATOM 230 CG LEU A 18 -2.002 -3.315 13.912 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.579 -4.706 14.381 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.642 -2.294 14.998 1.00 0.00 C ATOM 0 H LEU A 18 -3.472 -2.573 11.570 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.460 -0.912 12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.543 -3.843 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.206 -3.114 12.742 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.077 -3.234 13.749 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.068 -4.935 15.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.869 -5.445 13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.498 -4.731 14.516 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.182 -2.532 15.915 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.569 -2.329 15.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.919 -1.294 14.663 1.00 0.00 H new ATOM 243 N ASN A 19 0.086 -0.303 10.925 1.00 0.00 N ATOM 244 CA ASN A 19 1.037 0.170 9.929 1.00 0.00 C ATOM 245 C ASN A 19 2.138 -0.863 9.680 1.00 0.00 C ATOM 246 O ASN A 19 2.340 -1.296 8.546 1.00 0.00 O ATOM 247 CB ASN A 19 1.605 1.552 10.308 1.00 0.00 C ATOM 248 CG ASN A 19 2.265 1.641 11.680 1.00 0.00 C ATOM 249 OD1 ASN A 19 2.176 0.727 12.495 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.918 2.762 11.956 1.00 0.00 N ATOM 0 H ASN A 19 0.048 0.288 11.755 1.00 0.00 H new ATOM 0 HA ASN A 19 0.503 0.297 8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.336 1.843 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.796 2.281 10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.363 2.882 12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.975 3.504 11.258 1.00 0.00 H new ATOM 256 N ASN A 20 2.840 -1.272 10.742 1.00 0.00 N ATOM 257 CA ASN A 20 3.962 -2.199 10.657 1.00 0.00 C ATOM 258 C ASN A 20 3.559 -3.478 9.928 1.00 0.00 C ATOM 259 O ASN A 20 4.273 -3.925 9.034 1.00 0.00 O ATOM 260 CB ASN A 20 4.499 -2.524 12.052 1.00 0.00 C ATOM 261 CG ASN A 20 5.612 -3.564 11.962 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.381 -4.746 12.188 1.00 0.00 O ATOM 263 ND2 ASN A 20 6.822 -3.142 11.608 1.00 0.00 N ATOM 0 H ASN A 20 2.639 -0.963 11.693 1.00 0.00 H new ATOM 0 HA ASN A 20 4.755 -1.717 10.085 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.877 -1.617 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.692 -2.899 12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.589 -3.809 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.984 -2.151 11.426 1.00 0.00 H new ATOM 269 N TYR A 21 2.408 -4.044 10.300 1.00 0.00 N ATOM 270 CA TYR A 21 1.819 -5.198 9.636 1.00 0.00 C ATOM 271 C TYR A 21 1.760 -4.973 8.124 1.00 0.00 C ATOM 272 O TYR A 21 2.285 -5.774 7.352 1.00 0.00 O ATOM 273 CB TYR A 21 0.425 -5.463 10.225 1.00 0.00 C ATOM 274 CG TYR A 21 -0.507 -6.251 9.325 1.00 0.00 C ATOM 275 CD1 TYR A 21 -0.345 -7.641 9.178 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.432 -5.565 8.516 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.097 -8.339 8.215 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.140 -6.253 7.520 1.00 0.00 C ATOM 279 CZ TYR A 21 -1.979 -7.640 7.372 1.00 0.00 C ATOM 280 OH TYR A 21 -2.644 -8.290 6.374 1.00 0.00 O ATOM 0 H TYR A 21 1.854 -3.703 11.085 1.00 0.00 H new ATOM 0 HA TYR A 21 2.440 -6.078 9.807 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.540 -6.001 11.166 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.042 -4.507 10.460 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.356 -8.172 9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.597 -4.508 8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.997 -9.410 8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.810 -5.715 6.866 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.798 -9.222 6.636 1.00 0.00 H new ATOM 289 N CYS A 22 1.118 -3.886 7.692 1.00 0.00 N ATOM 290 CA CYS A 22 0.942 -3.666 6.265 1.00 0.00 C ATOM 291 C CYS A 22 2.294 -3.491 5.585 1.00 0.00 C ATOM 292 O CYS A 22 2.524 -4.087 4.541 1.00 0.00 O ATOM 293 CB CYS A 22 -0.001 -2.500 5.973 1.00 0.00 C ATOM 294 SG CYS A 22 -1.442 -2.985 5.003 1.00 0.00 S ATOM 0 H CYS A 22 0.723 -3.165 8.295 1.00 0.00 H new ATOM 0 HA CYS A 22 0.465 -4.552 5.846 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.334 -2.064 6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.545 -1.723 5.438 1.00 0.00 H new ATOM 298 N ASN A 23 3.208 -2.731 6.196 1.00 0.00 N ATOM 299 CA ASN A 23 4.594 -2.623 5.742 1.00 0.00 C ATOM 300 C ASN A 23 5.231 -4.013 5.590 1.00 0.00 C ATOM 301 O ASN A 23 5.910 -4.281 4.597 1.00 0.00 O ATOM 302 CB ASN A 23 5.364 -1.686 6.694 1.00 0.00 C ATOM 303 CG ASN A 23 6.739 -2.191 7.116 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.755 -1.760 6.589 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.788 -3.075 8.105 1.00 0.00 N ATOM 0 H ASN A 23 3.004 -2.171 7.024 1.00 0.00 H new ATOM 0 HA ASN A 23 4.634 -2.178 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.482 -0.716 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.762 -1.525 7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.689 -3.412 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.924 -3.417 8.526 1.00 0.00 H new ATOM 311 N ASN A 24 4.999 -4.921 6.542 1.00 0.00 N ATOM 312 CA ASN A 24 5.505 -6.266 6.496 1.00 0.00 C ATOM 313 C ASN A 24 5.024 -6.984 5.242 1.00 0.00 C ATOM 314 O ASN A 24 5.836 -7.466 4.461 1.00 0.00 O ATOM 315 CB ASN A 24 5.058 -6.999 7.763 1.00 0.00 C ATOM 316 CG ASN A 24 6.042 -8.097 8.074 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.789 -9.281 7.861 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.195 -7.676 8.575 1.00 0.00 N ATOM 0 H ASN A 24 4.443 -4.723 7.374 1.00 0.00 H new ATOM 0 HA ASN A 24 6.594 -6.249 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.997 -6.302 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.061 -7.417 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.927 -8.348 8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.350 -6.680 8.731 1.00 0.00 H new ATOM 324 N ILE A 25 3.706 -7.056 5.037 1.00 0.00 N ATOM 325 CA ILE A 25 3.127 -7.753 3.900 1.00 0.00 C ATOM 326 C ILE A 25 3.639 -7.137 2.592 1.00 0.00 C ATOM 327 O ILE A 25 4.012 -7.847 1.658 1.00 0.00 O ATOM 328 CB ILE A 25 1.598 -7.673 4.012 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.076 -8.266 5.332 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.918 -8.342 2.816 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.084 -9.797 5.394 1.00 0.00 C ATOM 0 H ILE A 25 3.017 -6.631 5.657 1.00 0.00 H new ATOM 0 HA ILE A 25 3.424 -8.802 3.898 1.00 0.00 H new ATOM 0 HB ILE A 25 1.341 -6.614 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.681 -7.880 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.057 -7.915 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.164 -8.269 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.225 -7.843 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.208 -9.392 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.700 -10.124 6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.455 -10.197 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.104 -10.161 5.267 1.00 0.00 H new ATOM 342 N CYS A 26 3.677 -5.808 2.559 1.00 0.00 N ATOM 343 CA CYS A 26 4.246 -4.986 1.499 1.00 0.00 C ATOM 344 C CYS A 26 5.618 -5.520 1.089 1.00 0.00 C ATOM 345 O CYS A 26 5.783 -5.941 -0.053 1.00 0.00 O ATOM 346 CB CYS A 26 4.176 -3.507 1.903 1.00 0.00 C ATOM 347 SG CYS A 26 2.555 -2.772 1.666 1.00 0.00 S ATOM 0 H CYS A 26 3.289 -5.245 3.316 1.00 0.00 H new ATOM 0 HA CYS A 26 3.660 -5.050 0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.459 -3.412 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.908 -2.946 1.323 1.00 0.00 H new ATOM 351 N THR A 27 6.599 -5.581 1.990 1.00 0.00 N ATOM 352 CA THR A 27 7.900 -6.129 1.598 1.00 0.00 C ATOM 353 C THR A 27 7.892 -7.657 1.408 1.00 0.00 C ATOM 354 O THR A 27 8.773 -8.168 0.721 1.00 0.00 O ATOM 355 CB THR A 27 9.019 -5.668 2.544 1.00 0.00 C ATOM 356 OG1 THR A 27 10.279 -6.113 2.075 1.00 0.00 O ATOM 357 CG2 THR A 27 8.824 -6.176 3.969 1.00 0.00 C ATOM 0 H THR A 27 6.526 -5.272 2.959 1.00 0.00 H new ATOM 0 HA THR A 27 8.114 -5.716 0.612 1.00 0.00 H new ATOM 0 HB THR A 27 8.981 -4.579 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.148 -6.797 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.642 -5.822 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.878 -5.804 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.813 -7.266 3.968 1.00 0.00 H new ATOM 365 N LYS A 28 6.976 -8.395 2.041 1.00 0.00 N ATOM 366 CA LYS A 28 7.024 -9.852 2.118 1.00 0.00 C ATOM 367 C LYS A 28 6.514 -10.517 0.839 1.00 0.00 C ATOM 368 O LYS A 28 7.147 -11.428 0.309 1.00 0.00 O ATOM 369 CB LYS A 28 6.181 -10.291 3.321 1.00 0.00 C ATOM 370 CG LYS A 28 6.194 -11.801 3.583 1.00 0.00 C ATOM 371 CD LYS A 28 5.505 -12.063 4.929 1.00 0.00 C ATOM 372 CE LYS A 28 6.524 -12.018 6.079 1.00 0.00 C ATOM 373 NZ LYS A 28 5.876 -11.893 7.401 1.00 0.00 N ATOM 0 H LYS A 28 6.172 -7.989 2.519 1.00 0.00 H new ATOM 0 HA LYS A 28 8.061 -10.165 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.544 -9.777 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.151 -9.970 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.677 -12.330 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.218 -12.174 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.727 -11.318 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.015 -13.036 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.131 -12.923 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.201 -11.177 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.549 -12.168 8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.579 -10.908 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.043 -12.515 7.440 1.00 0.00 H new ATOM 383 N VAL A 29 5.316 -10.129 0.403 1.00 0.00 N ATOM 384 CA VAL A 29 4.564 -10.731 -0.664 1.00 0.00 C ATOM 385 C VAL A 29 4.729 -9.860 -1.907 1.00 0.00 C ATOM 386 O VAL A 29 5.018 -10.336 -3.007 1.00 0.00 O ATOM 387 CB VAL A 29 3.106 -10.765 -0.172 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.142 -11.011 -1.320 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.902 -11.823 0.918 1.00 0.00 C ATOM 0 H VAL A 29 4.827 -9.337 0.820 1.00 0.00 H new ATOM 0 HA VAL A 29 4.893 -11.738 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 29 2.894 -9.786 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.121 -11.029 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.241 -10.213 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.372 -11.968 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.861 -11.817 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.154 -12.807 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.546 -11.598 1.768 1.00 0.00 H new ATOM 399 N TYR A 30 4.467 -8.564 -1.738 1.00 0.00 N ATOM 400 CA TYR A 30 4.310 -7.656 -2.836 1.00 0.00 C ATOM 401 C TYR A 30 5.661 -7.212 -3.383 1.00 0.00 C ATOM 402 O TYR A 30 5.821 -7.199 -4.602 1.00 0.00 O ATOM 403 CB TYR A 30 3.398 -6.533 -2.363 1.00 0.00 C ATOM 404 CG TYR A 30 2.014 -7.011 -1.956 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.192 -7.668 -2.891 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.485 -6.681 -0.696 1.00 0.00 C ATOM 407 CE1 TYR A 30 -0.166 -7.873 -2.606 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.108 -6.780 -0.460 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.726 -7.347 -1.432 1.00 0.00 C ATOM 410 OH TYR A 30 -2.072 -7.220 -1.318 1.00 0.00 O ATOM 0 H TYR A 30 4.360 -8.128 -0.822 1.00 0.00 H new ATOM 0 HA TYR A 30 3.835 -8.130 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.864 -6.029 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.300 -5.795 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.606 -8.014 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.143 -6.350 0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.782 -8.437 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.310 -6.420 0.469 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.405 -7.854 -0.649 1.00 0.00 H new ATOM 419 N TYR A 31 6.616 -6.939 -2.493 1.00 0.00 N ATOM 420 CA TYR A 31 7.958 -6.425 -2.766 1.00 0.00 C ATOM 421 C TYR A 31 7.947 -4.909 -2.910 1.00 0.00 C ATOM 422 O TYR A 31 8.481 -4.334 -3.855 1.00 0.00 O ATOM 423 CB TYR A 31 8.743 -7.195 -3.815 1.00 0.00 C ATOM 424 CG TYR A 31 8.785 -8.690 -3.565 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.312 -9.162 -2.350 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.131 -9.584 -4.434 1.00 0.00 C ATOM 427 CE1 TYR A 31 8.999 -10.454 -1.908 1.00 0.00 C ATOM 428 CE2 TYR A 31 7.851 -10.894 -4.004 1.00 0.00 C ATOM 429 CZ TYR A 31 8.201 -11.292 -2.703 1.00 0.00 C ATOM 430 OH TYR A 31 7.679 -12.429 -2.171 1.00 0.00 O ATOM 0 H TYR A 31 6.461 -7.081 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 31 8.562 -6.628 -1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.302 -7.011 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.763 -6.812 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.957 -8.529 -1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.846 -9.266 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.371 -10.805 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.368 -11.592 -4.672 1.00 0.00 H new ATOM 0 HH TYR A 31 7.402 -12.260 -1.246 1.00 0.00 H new ATOM 439 N ALA A 32 7.341 -4.289 -1.899 1.00 0.00 N ATOM 440 CA ALA A 32 7.578 -2.927 -1.469 1.00 0.00 C ATOM 441 C ALA A 32 8.870 -2.869 -0.644 1.00 0.00 C ATOM 442 O ALA A 32 9.591 -3.862 -0.540 1.00 0.00 O ATOM 443 CB ALA A 32 6.400 -2.566 -0.569 1.00 0.00 C ATOM 0 H ALA A 32 6.634 -4.756 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 32 7.673 -2.248 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.518 -1.544 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.472 -2.647 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.368 -3.249 0.280 1.00 0.00 H new ATOM 449 N THR A 33 9.086 -1.743 0.040 1.00 0.00 N ATOM 450 CA THR A 33 9.961 -1.623 1.193 1.00 0.00 C ATOM 451 C THR A 33 9.120 -1.326 2.447 1.00 0.00 C ATOM 452 O THR A 33 9.136 -2.117 3.389 1.00 0.00 O ATOM 453 CB THR A 33 11.119 -0.648 0.905 1.00 0.00 C ATOM 454 OG1 THR A 33 12.008 -0.611 2.000 1.00 0.00 O ATOM 455 CG2 THR A 33 10.704 0.786 0.560 1.00 0.00 C ATOM 0 H THR A 33 8.637 -0.862 -0.208 1.00 0.00 H new ATOM 0 HA THR A 33 10.465 -2.566 1.403 1.00 0.00 H new ATOM 0 HB THR A 33 11.595 -1.048 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.741 0.010 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.594 1.388 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.079 0.779 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.143 1.213 1.392 1.00 0.00 H new ATOM 463 N SER A 34 8.332 -0.243 2.438 1.00 0.00 N ATOM 464 CA SER A 34 7.456 0.157 3.545 1.00 0.00 C ATOM 465 C SER A 34 5.987 0.068 3.110 1.00 0.00 C ATOM 466 O SER A 34 5.699 -0.566 2.099 1.00 0.00 O ATOM 467 CB SER A 34 7.845 1.554 4.059 1.00 0.00 C ATOM 468 OG SER A 34 9.242 1.755 3.955 1.00 0.00 O ATOM 0 H SER A 34 8.285 0.393 1.642 1.00 0.00 H new ATOM 0 HA SER A 34 7.584 -0.530 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.319 2.317 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.533 1.665 5.098 1.00 0.00 H new ATOM 0 HG SER A 34 9.469 2.649 4.285 1.00 0.00 H new ATOM 473 N GLY A 35 5.055 0.710 3.832 1.00 0.00 N ATOM 474 CA GLY A 35 3.613 0.595 3.614 1.00 0.00 C ATOM 475 C GLY A 35 2.907 0.792 4.940 1.00 0.00 C ATOM 476 O GLY A 35 3.566 0.999 5.959 1.00 0.00 O ATOM 0 H GLY A 35 5.294 1.337 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.279 1.341 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.370 -0.383 3.197 1.00 0.00 H new ATOM 480 N TYR A 36 1.576 0.748 4.906 1.00 0.00 N ATOM 481 CA TYR A 36 0.705 0.890 6.061 1.00 0.00 C ATOM 482 C TYR A 36 -0.742 0.748 5.603 1.00 0.00 C ATOM 483 O TYR A 36 -1.032 0.746 4.407 1.00 0.00 O ATOM 484 CB TYR A 36 0.942 2.211 6.815 1.00 0.00 C ATOM 485 CG TYR A 36 1.043 3.457 5.962 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.020 3.857 5.132 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.216 4.226 6.003 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.169 4.893 4.205 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.356 5.333 5.158 1.00 0.00 C ATOM 490 CZ TYR A 36 1.385 5.589 4.183 1.00 0.00 C ATOM 491 OH TYR A 36 1.695 6.424 3.159 1.00 0.00 O ATOM 0 H TYR A 36 1.060 0.607 4.038 1.00 0.00 H new ATOM 0 HA TYR A 36 0.937 0.101 6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.130 2.349 7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.861 2.116 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.980 3.368 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.010 3.964 6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.618 5.153 3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.210 5.987 5.258 1.00 0.00 H new ATOM 0 HH TYR A 36 1.338 6.061 2.321 1.00 0.00 H new ATOM 500 N CYS A 37 -1.644 0.652 6.575 1.00 0.00 N ATOM 501 CA CYS A 37 -3.077 0.612 6.354 1.00 0.00 C ATOM 502 C CYS A 37 -3.528 2.036 6.022 1.00 0.00 C ATOM 503 O CYS A 37 -3.893 2.806 6.907 1.00 0.00 O ATOM 504 CB CYS A 37 -3.753 0.064 7.616 1.00 0.00 C ATOM 505 SG CYS A 37 -3.140 -1.557 8.152 1.00 0.00 S ATOM 0 H CYS A 37 -1.387 0.599 7.561 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.352 -0.043 5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.613 0.778 8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.826 -0.008 7.436 1.00 0.00 H new ATOM 509 N CYS A 38 -3.446 2.412 4.743 1.00 0.00 N ATOM 510 CA CYS A 38 -4.032 3.648 4.238 1.00 0.00 C ATOM 511 C CYS A 38 -5.550 3.575 4.423 1.00 0.00 C ATOM 512 O CYS A 38 -6.075 2.486 4.636 1.00 0.00 O ATOM 513 CB CYS A 38 -3.673 3.823 2.757 1.00 0.00 C ATOM 514 SG CYS A 38 -4.346 5.281 1.930 1.00 0.00 S ATOM 0 H CYS A 38 -2.968 1.862 4.029 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.641 4.506 4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.587 3.853 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.011 2.938 2.217 1.00 0.00 H new ATOM 518 N LEU A 39 -6.230 4.722 4.318 1.00 0.00 N ATOM 519 CA LEU A 39 -7.666 4.976 4.429 1.00 0.00 C ATOM 520 C LEU A 39 -8.546 3.723 4.517 1.00 0.00 C ATOM 521 O LEU A 39 -9.299 3.577 5.475 1.00 0.00 O ATOM 522 CB LEU A 39 -8.101 5.927 3.290 1.00 0.00 C ATOM 523 CG LEU A 39 -8.971 7.085 3.812 1.00 0.00 C ATOM 524 CD1 LEU A 39 -9.181 8.136 2.716 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.339 6.593 4.301 1.00 0.00 C ATOM 0 H LEU A 39 -5.728 5.590 4.132 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.828 5.456 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.217 6.331 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.657 5.365 2.539 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.440 7.529 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.798 8.947 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.215 8.533 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.679 7.677 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.923 7.440 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.868 6.112 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.200 5.877 5.111 1.00 0.00 H new ATOM 536 N LEU A 40 -8.460 2.835 3.522 1.00 0.00 N ATOM 537 CA LEU A 40 -9.086 1.520 3.593 1.00 0.00 C ATOM 538 C LEU A 40 -8.348 0.479 2.736 1.00 0.00 C ATOM 539 O LEU A 40 -8.982 -0.337 2.067 1.00 0.00 O ATOM 540 CB LEU A 40 -10.592 1.645 3.277 1.00 0.00 C ATOM 541 CG LEU A 40 -10.990 2.519 2.091 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.348 2.115 0.759 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.516 2.531 1.946 1.00 0.00 C ATOM 0 H LEU A 40 -7.957 3.010 2.652 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.003 1.137 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.984 0.643 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.091 2.034 4.165 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.610 3.516 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.687 2.789 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.263 2.174 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.637 1.094 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.796 3.156 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.874 1.515 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.965 2.931 2.855 1.00 0.00 H new ATOM 554 N SER A 41 -7.007 0.495 2.711 1.00 0.00 N ATOM 555 CA SER A 41 -6.219 -0.441 1.906 1.00 0.00 C ATOM 556 C SER A 41 -4.750 -0.469 2.333 1.00 0.00 C ATOM 557 O SER A 41 -4.292 0.414 3.052 1.00 0.00 O ATOM 558 CB SER A 41 -6.240 -0.029 0.431 1.00 0.00 C ATOM 559 OG SER A 41 -7.523 0.322 -0.049 1.00 0.00 O ATOM 0 H SER A 41 -6.443 1.155 3.247 1.00 0.00 H new ATOM 0 HA SER A 41 -6.669 -1.422 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.567 0.817 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.850 -0.850 -0.171 1.00 0.00 H new ATOM 0 HG SER A 41 -8.206 -0.169 0.454 1.00 0.00 H new ATOM 564 N CYS A 42 -3.989 -1.428 1.794 1.00 0.00 N ATOM 565 CA CYS A 42 -2.565 -1.574 2.067 1.00 0.00 C ATOM 566 C CYS A 42 -1.709 -0.776 1.091 1.00 0.00 C ATOM 567 O CYS A 42 -1.400 -1.198 -0.035 1.00 0.00 O ATOM 568 CB CYS A 42 -2.182 -3.055 2.088 1.00 0.00 C ATOM 569 SG CYS A 42 -0.731 -3.421 3.096 1.00 0.00 S ATOM 0 H CYS A 42 -4.354 -2.130 1.150 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.365 -1.157 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.027 -3.633 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.996 -3.386 1.066 1.00 0.00 H new ATOM 573 N TYR A 43 -1.327 0.402 1.585 1.00 0.00 N ATOM 574 CA TYR A 43 -0.274 1.202 1.020 1.00 0.00 C ATOM 575 C TYR A 43 1.024 0.481 1.162 1.00 0.00 C ATOM 576 O TYR A 43 1.234 -0.205 2.159 1.00 0.00 O ATOM 577 CB TYR A 43 -0.052 2.470 1.837 1.00 0.00 C ATOM 578 CG TYR A 43 0.414 3.620 0.963 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.354 3.942 -0.163 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.764 4.019 0.997 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.258 4.464 -1.313 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.304 4.794 -0.046 1.00 0.00 C ATOM 583 CZ TYR A 43 1.547 5.004 -1.218 1.00 0.00 C ATOM 584 OH TYR A 43 2.016 5.720 -2.278 1.00 0.00 O ATOM 0 H TYR A 43 -1.759 0.823 2.407 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.560 1.411 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.978 2.746 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.688 2.279 2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.423 3.788 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.389 3.728 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.259 4.450 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.290 5.225 0.050 1.00 0.00 H new ATOM 0 HH TYR A 43 2.443 6.541 -1.955 1.00 0.00 H new ATOM 593 N CYS A 44 1.914 0.784 0.235 1.00 0.00 N ATOM 594 CA CYS A 44 3.192 0.183 0.108 1.00 0.00 C ATOM 595 C CYS A 44 4.125 1.252 -0.471 1.00 0.00 C ATOM 596 O CYS A 44 3.686 1.999 -1.342 1.00 0.00 O ATOM 597 CB CYS A 44 2.961 -0.917 -0.887 1.00 0.00 C ATOM 598 SG CYS A 44 2.374 -2.574 -0.399 1.00 0.00 S ATOM 0 H CYS A 44 1.738 1.494 -0.476 1.00 0.00 H new ATOM 0 HA CYS A 44 3.626 -0.195 1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.245 -0.534 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.904 -1.063 -1.415 1.00 0.00 H new ATOM 602 N PHE A 45 5.386 1.326 -0.036 1.00 0.00 N ATOM 603 CA PHE A 45 6.390 2.229 -0.591 1.00 0.00 C ATOM 604 C PHE A 45 7.341 1.449 -1.485 1.00 0.00 C ATOM 605 O PHE A 45 7.698 0.331 -1.138 1.00 0.00 O ATOM 606 CB PHE A 45 7.198 2.926 0.504 1.00 0.00 C ATOM 607 CG PHE A 45 6.468 4.065 1.182 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.421 3.777 2.066 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.752 5.403 0.848 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.675 4.816 2.630 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.934 6.438 1.336 1.00 0.00 C ATOM 612 CZ PHE A 45 4.888 6.141 2.226 1.00 0.00 C ATOM 0 H PHE A 45 5.741 0.748 0.726 1.00 0.00 H new ATOM 0 HA PHE A 45 5.864 2.992 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.479 2.190 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.122 3.308 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.190 2.751 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.598 5.635 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.931 4.597 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.109 7.458 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.251 6.930 2.597 1.00 0.00 H new ATOM 621 N GLY A 46 7.795 2.058 -2.582 1.00 0.00 N ATOM 622 CA GLY A 46 8.794 1.499 -3.476 1.00 0.00 C ATOM 623 C GLY A 46 8.459 0.067 -3.878 1.00 0.00 C ATOM 624 O GLY A 46 9.262 -0.836 -3.653 1.00 0.00 O ATOM 0 H GLY A 46 7.465 2.978 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.869 2.119 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.769 1.521 -2.990 1.00 0.00 H new ATOM 628 N LEU A 47 7.281 -0.141 -4.472 1.00 0.00 N ATOM 629 CA LEU A 47 6.957 -1.407 -5.098 1.00 0.00 C ATOM 630 C LEU A 47 7.952 -1.655 -6.224 1.00 0.00 C ATOM 631 O LEU A 47 8.134 -0.787 -7.077 1.00 0.00 O ATOM 632 CB LEU A 47 5.540 -1.400 -5.667 1.00 0.00 C ATOM 633 CG LEU A 47 4.411 -1.184 -4.650 1.00 0.00 C ATOM 634 CD1 LEU A 47 3.184 -1.905 -5.142 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.563 -1.853 -3.330 1.00 0.00 C ATOM 0 H LEU A 47 6.540 0.558 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 47 7.013 -2.196 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.477 -0.617 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.369 -2.349 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 47 4.388 -0.099 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.369 -1.763 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.892 -1.506 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.401 -2.969 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.701 -1.622 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.628 -2.931 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.471 -1.496 -2.844 1.00 0.00 H new ATOM 646 N ASP A 48 8.601 -2.817 -6.218 1.00 0.00 N ATOM 647 CA ASP A 48 9.532 -3.190 -7.272 1.00 0.00 C ATOM 648 C ASP A 48 8.796 -4.052 -8.286 1.00 0.00 C ATOM 649 O ASP A 48 8.478 -3.598 -9.388 1.00 0.00 O ATOM 650 CB ASP A 48 10.768 -3.905 -6.722 1.00 0.00 C ATOM 651 CG ASP A 48 11.765 -4.184 -7.843 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.719 -3.433 -8.849 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.541 -5.145 -7.690 1.00 0.00 O ATOM 0 H ASP A 48 8.495 -3.520 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 48 9.900 -2.286 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.238 -3.292 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.473 -4.841 -6.248 1.00 0.00 H new ATOM 657 N ASP A 49 8.484 -5.277 -7.872 1.00 0.00 N ATOM 658 CA ASP A 49 7.399 -6.029 -8.477 1.00 0.00 C ATOM 659 C ASP A 49 6.110 -5.247 -8.218 1.00 0.00 C ATOM 660 O ASP A 49 6.020 -4.482 -7.257 1.00 0.00 O ATOM 661 CB ASP A 49 7.359 -7.446 -7.895 1.00 0.00 C ATOM 662 CG ASP A 49 6.290 -8.346 -8.495 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.668 -7.950 -9.502 1.00 0.00 O ATOM 664 OD2 ASP A 49 6.082 -9.421 -7.892 1.00 0.00 O ATOM 0 H ASP A 49 8.969 -5.766 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 49 7.534 -6.145 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.333 -7.913 -8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.197 -7.379 -6.819 1.00 0.00 H new ATOM 668 N ASP A 50 5.134 -5.415 -9.100 1.00 0.00 N ATOM 669 CA ASP A 50 3.921 -4.629 -9.171 1.00 0.00 C ATOM 670 C ASP A 50 2.780 -5.593 -9.480 1.00 0.00 C ATOM 671 O ASP A 50 2.462 -5.948 -10.615 1.00 0.00 O ATOM 672 CB ASP A 50 4.023 -3.550 -10.232 1.00 0.00 C ATOM 673 CG ASP A 50 2.970 -2.464 -10.055 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.769 -2.814 -10.082 1.00 0.00 O ATOM 675 OD2 ASP A 50 3.382 -1.295 -9.874 1.00 0.00 O ATOM 0 H ASP A 50 5.174 -6.139 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 50 3.747 -4.115 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.015 -3.100 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.914 -4.002 -11.218 1.00 0.00 H new ATOM 679 N LYS A 51 2.160 -6.007 -8.399 1.00 0.00 N ATOM 680 CA LYS A 51 0.889 -6.715 -8.372 1.00 0.00 C ATOM 681 C LYS A 51 -0.227 -5.728 -8.738 1.00 0.00 C ATOM 682 O LYS A 51 -1.122 -5.474 -7.934 1.00 0.00 O ATOM 683 CB LYS A 51 0.653 -7.370 -7.000 1.00 0.00 C ATOM 684 CG LYS A 51 1.437 -8.672 -6.780 1.00 0.00 C ATOM 685 CD LYS A 51 2.946 -8.478 -6.580 1.00 0.00 C ATOM 686 CE LYS A 51 3.527 -9.720 -5.882 1.00 0.00 C ATOM 687 NZ LYS A 51 4.965 -9.580 -5.586 1.00 0.00 N ATOM 0 H LYS A 51 2.543 -5.854 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 51 0.897 -7.525 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.925 -6.659 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.411 -7.577 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.030 -9.184 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.278 -9.327 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.436 -8.324 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.134 -7.588 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.984 -9.899 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.373 -10.594 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.212 -10.181 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.520 -9.873 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.178 -8.588 -5.360 1.00 0.00 H new ATOM 697 N ALA A 52 -0.154 -5.195 -9.962 1.00 0.00 N ATOM 698 CA ALA A 52 -1.113 -4.297 -10.583 1.00 0.00 C ATOM 699 C ALA A 52 -1.614 -3.234 -9.606 1.00 0.00 C ATOM 700 O ALA A 52 -2.768 -3.305 -9.182 1.00 0.00 O ATOM 701 CB ALA A 52 -2.267 -5.127 -11.156 1.00 0.00 C ATOM 0 H ALA A 52 0.632 -5.398 -10.580 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.622 -3.756 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.994 -4.464 -11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.880 -5.825 -11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.749 -5.683 -10.352 1.00 0.00 H new ATOM 707 N VAL A 53 -0.759 -2.270 -9.235 1.00 0.00 N ATOM 708 CA VAL A 53 -1.109 -1.366 -8.151 1.00 0.00 C ATOM 709 C VAL A 53 -2.461 -0.703 -8.346 1.00 0.00 C ATOM 710 O VAL A 53 -2.876 -0.384 -9.463 1.00 0.00 O ATOM 711 CB VAL A 53 -0.064 -0.281 -7.839 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.155 -0.913 -7.204 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.360 0.590 -9.020 1.00 0.00 C ATOM 0 H VAL A 53 0.153 -2.105 -9.661 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.147 -2.034 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.563 0.402 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.893 -0.141 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.866 -1.412 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.586 -1.642 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.098 1.320 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.795 -0.038 -9.797 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.510 1.111 -9.419 1.00 0.00 H new ATOM 723 N LEU A 54 -3.144 -0.485 -7.224 1.00 0.00 N ATOM 724 CA LEU A 54 -4.429 0.166 -7.259 1.00 0.00 C ATOM 725 C LEU A 54 -4.309 1.591 -7.772 1.00 0.00 C ATOM 726 O LEU A 54 -3.236 2.179 -7.901 1.00 0.00 O ATOM 727 CB LEU A 54 -5.155 0.095 -5.906 1.00 0.00 C ATOM 728 CG LEU A 54 -6.578 -0.498 -6.025 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.647 -1.791 -6.856 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.178 -0.731 -4.635 1.00 0.00 C ATOM 0 H LEU A 54 -2.823 -0.751 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.051 -0.383 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.569 -0.511 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.217 1.096 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.167 0.243 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.677 -2.145 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.295 -1.592 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.018 -2.553 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.180 -1.149 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.549 -1.427 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.233 0.216 -4.099 1.00 0.00 H new ATOM 741 N LYS A 55 -5.488 2.105 -8.071 1.00 0.00 N ATOM 742 CA LYS A 55 -5.734 3.395 -8.672 1.00 0.00 C ATOM 743 C LYS A 55 -6.677 4.107 -7.715 1.00 0.00 C ATOM 744 O LYS A 55 -7.749 3.585 -7.414 1.00 0.00 O ATOM 745 CB LYS A 55 -6.311 3.243 -10.089 1.00 0.00 C ATOM 746 CG LYS A 55 -5.260 2.748 -11.103 1.00 0.00 C ATOM 747 CD LYS A 55 -5.088 1.221 -11.205 1.00 0.00 C ATOM 748 CE LYS A 55 -5.992 0.563 -12.256 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.428 0.735 -11.958 1.00 0.00 N ATOM 0 H LYS A 55 -6.353 1.596 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.821 3.975 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.146 2.543 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.708 4.202 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.526 3.130 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.297 3.186 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.048 0.997 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.295 0.776 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.774 0.989 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.762 -0.501 -12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.992 0.202 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.629 0.381 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.676 1.744 -12.013 1.00 0.00 H new ATOM 759 N ILE A 56 -6.205 5.210 -7.140 1.00 0.00 N ATOM 760 CA ILE A 56 -6.661 5.696 -5.853 1.00 0.00 C ATOM 761 C ILE A 56 -6.936 7.198 -5.952 1.00 0.00 C ATOM 762 O ILE A 56 -6.295 7.886 -6.743 1.00 0.00 O ATOM 763 CB ILE A 56 -5.583 5.335 -4.811 1.00 0.00 C ATOM 764 CG1 ILE A 56 -4.260 6.092 -5.043 1.00 0.00 C ATOM 765 CG2 ILE A 56 -5.335 3.819 -4.814 1.00 0.00 C ATOM 766 CD1 ILE A 56 -3.154 5.672 -4.070 1.00 0.00 C ATOM 0 H ILE A 56 -5.486 5.795 -7.565 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.598 5.233 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.960 5.643 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.923 5.919 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.438 7.163 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.572 3.574 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.260 3.298 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.996 3.508 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.248 6.239 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.475 5.870 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.952 4.607 -4.187 1.00 0.00 H new ATOM 777 N LYS A 57 -7.906 7.700 -5.177 1.00 0.00 N ATOM 778 CA LYS A 57 -8.268 9.113 -5.199 1.00 0.00 C ATOM 779 C LYS A 57 -7.029 9.968 -4.927 1.00 0.00 C ATOM 780 O LYS A 57 -6.209 9.610 -4.079 1.00 0.00 O ATOM 781 CB LYS A 57 -9.324 9.468 -4.142 1.00 0.00 C ATOM 782 CG LYS A 57 -10.488 8.480 -3.917 1.00 0.00 C ATOM 783 CD LYS A 57 -10.572 7.963 -2.464 1.00 0.00 C ATOM 784 CE LYS A 57 -9.701 6.717 -2.221 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.494 6.418 -0.786 1.00 0.00 N ATOM 0 H LYS A 57 -8.454 7.140 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.683 9.313 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.811 9.601 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.753 10.433 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.427 8.969 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.372 7.632 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.262 8.756 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.609 7.727 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.168 5.857 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.732 6.861 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.033 5.491 -0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.891 7.151 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.413 6.401 -0.299 1.00 0.00 H new ATOM 795 N ASP A 58 -6.930 11.128 -5.577 1.00 0.00 N ATOM 796 CA ASP A 58 -5.741 11.971 -5.483 1.00 0.00 C ATOM 797 C ASP A 58 -5.477 12.331 -4.030 1.00 0.00 C ATOM 798 O ASP A 58 -4.402 12.109 -3.485 1.00 0.00 O ATOM 799 CB ASP A 58 -5.882 13.249 -6.307 1.00 0.00 C ATOM 800 CG ASP A 58 -4.500 13.860 -6.493 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.975 14.475 -5.537 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.869 13.607 -7.542 1.00 0.00 O ATOM 0 H ASP A 58 -7.664 11.505 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.903 11.403 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.331 13.028 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.543 13.954 -5.802 1.00 0.00 H new ATOM 806 N ALA A 59 -6.524 12.826 -3.381 1.00 0.00 N ATOM 807 CA ALA A 59 -6.492 13.126 -1.961 1.00 0.00 C ATOM 808 C ALA A 59 -5.989 11.944 -1.127 1.00 0.00 C ATOM 809 O ALA A 59 -5.258 12.157 -0.163 1.00 0.00 O ATOM 810 CB ALA A 59 -7.876 13.583 -1.496 1.00 0.00 C ATOM 0 H ALA A 59 -7.418 13.030 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.779 13.936 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.846 13.807 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.168 14.477 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.602 12.791 -1.680 1.00 0.00 H new ATOM 816 N THR A 60 -6.345 10.702 -1.482 1.00 0.00 N ATOM 817 CA THR A 60 -5.876 9.542 -0.746 1.00 0.00 C ATOM 818 C THR A 60 -4.391 9.334 -1.054 1.00 0.00 C ATOM 819 O THR A 60 -3.629 9.020 -0.149 1.00 0.00 O ATOM 820 CB THR A 60 -6.760 8.317 -1.055 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.360 7.778 0.107 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.023 7.189 -1.766 1.00 0.00 C ATOM 0 H THR A 60 -6.953 10.485 -2.272 1.00 0.00 H new ATOM 0 HA THR A 60 -5.963 9.697 0.329 1.00 0.00 H new ATOM 0 HB THR A 60 -7.524 8.712 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.075 6.847 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.711 6.363 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.631 7.552 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.199 6.843 -1.142 1.00 0.00 H new ATOM 830 N LYS A 61 -3.977 9.505 -2.317 1.00 0.00 N ATOM 831 CA LYS A 61 -2.572 9.453 -2.707 1.00 0.00 C ATOM 832 C LYS A 61 -1.791 10.389 -1.811 1.00 0.00 C ATOM 833 O LYS A 61 -0.917 9.968 -1.073 1.00 0.00 O ATOM 834 CB LYS A 61 -2.436 9.787 -4.205 1.00 0.00 C ATOM 835 CG LYS A 61 -1.283 10.683 -4.720 1.00 0.00 C ATOM 836 CD LYS A 61 -1.849 12.032 -5.191 1.00 0.00 C ATOM 837 CE LYS A 61 -0.860 12.957 -5.905 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.580 14.118 -6.473 1.00 0.00 N ATOM 0 H LYS A 61 -4.613 9.683 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.160 8.452 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.367 8.839 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.369 10.259 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.550 10.841 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.764 10.189 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.686 11.839 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.250 12.559 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.097 13.298 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.346 12.413 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.897 14.859 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.103 13.821 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.248 14.491 -5.768 1.00 0.00 H new ATOM 848 N SER A 62 -2.150 11.661 -1.877 1.00 0.00 N ATOM 849 CA SER A 62 -1.528 12.716 -1.085 1.00 0.00 C ATOM 850 C SER A 62 -1.418 12.284 0.385 1.00 0.00 C ATOM 851 O SER A 62 -0.312 12.132 0.914 1.00 0.00 O ATOM 852 CB SER A 62 -2.314 14.023 -1.263 1.00 0.00 C ATOM 853 OG SER A 62 -1.598 15.101 -0.694 1.00 0.00 O ATOM 0 H SER A 62 -2.892 11.997 -2.491 1.00 0.00 H new ATOM 0 HA SER A 62 -0.511 12.896 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.488 14.211 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.292 13.936 -0.790 1.00 0.00 H new ATOM 0 HG SER A 62 -2.106 15.931 -0.814 1.00 0.00 H new ATOM 858 N TYR A 63 -2.572 12.015 1.009 1.00 0.00 N ATOM 859 CA TYR A 63 -2.696 11.532 2.379 1.00 0.00 C ATOM 860 C TYR A 63 -1.724 10.394 2.662 1.00 0.00 C ATOM 861 O TYR A 63 -1.113 10.350 3.726 1.00 0.00 O ATOM 862 CB TYR A 63 -4.135 11.039 2.606 1.00 0.00 C ATOM 863 CG TYR A 63 -4.440 10.416 3.960 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.915 10.973 5.142 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.244 9.259 4.037 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.118 10.332 6.375 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.440 8.615 5.272 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.868 9.148 6.439 1.00 0.00 C ATOM 869 OH TYR A 63 -5.042 8.526 7.638 1.00 0.00 O ATOM 0 H TYR A 63 -3.476 12.134 0.551 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.459 12.353 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.810 11.882 2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.369 10.306 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.355 11.895 5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.710 8.867 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.696 10.752 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.030 7.712 5.323 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.586 7.720 7.513 1.00 0.00 H new ATOM 878 N CYS A 64 -1.637 9.452 1.726 1.00 0.00 N ATOM 879 CA CYS A 64 -0.940 8.188 1.900 1.00 0.00 C ATOM 880 C CYS A 64 0.312 8.058 1.039 1.00 0.00 C ATOM 881 O CYS A 64 0.692 6.929 0.764 1.00 0.00 O ATOM 882 CB CYS A 64 -1.902 7.025 1.615 1.00 0.00 C ATOM 883 SG CYS A 64 -3.295 6.869 2.745 1.00 0.00 S ATOM 0 H CYS A 64 -2.061 9.553 0.804 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.601 8.156 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.290 7.138 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.334 6.095 1.636 1.00 0.00 H new ATOM 887 N ASP A 65 0.995 9.139 0.657 1.00 0.00 N ATOM 888 CA ASP A 65 2.277 9.052 -0.059 1.00 0.00 C ATOM 889 C ASP A 65 3.329 9.899 0.646 1.00 0.00 C ATOM 890 O ASP A 65 4.445 9.445 0.883 1.00 0.00 O ATOM 891 CB ASP A 65 2.101 9.464 -1.527 1.00 0.00 C ATOM 892 CG ASP A 65 3.244 9.019 -2.431 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.549 7.802 -2.478 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.734 9.848 -3.230 1.00 0.00 O ATOM 0 H ASP A 65 0.681 10.094 0.832 1.00 0.00 H new ATOM 0 HA ASP A 65 2.623 8.018 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.168 9.044 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.008 10.549 -1.582 1.00 0.00 H new ATOM 898 N VAL A 66 2.943 11.116 1.039 1.00 0.00 N ATOM 899 CA VAL A 66 3.793 12.067 1.756 1.00 0.00 C ATOM 900 C VAL A 66 4.348 11.492 3.071 1.00 0.00 C ATOM 901 O VAL A 66 5.399 11.917 3.540 1.00 0.00 O ATOM 902 CB VAL A 66 2.995 13.367 1.988 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.785 14.401 2.804 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.608 14.013 0.648 1.00 0.00 C ATOM 0 H VAL A 66 2.005 11.475 0.862 1.00 0.00 H new ATOM 0 HA VAL A 66 4.669 12.282 1.144 1.00 0.00 H new ATOM 0 HB VAL A 66 2.105 13.081 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.180 15.297 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.035 13.981 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.702 14.659 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.046 14.928 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.510 14.250 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.993 13.320 0.074 1.00 0.00 H new ATOM 914 N GLN A 67 3.618 10.545 3.662 1.00 0.00 N ATOM 915 CA GLN A 67 3.758 10.020 5.007 1.00 0.00 C ATOM 916 C GLN A 67 5.207 9.754 5.417 1.00 0.00 C ATOM 917 O GLN A 67 5.732 10.416 6.308 1.00 0.00 O ATOM 918 CB GLN A 67 2.918 8.739 5.045 1.00 0.00 C ATOM 919 CG GLN A 67 1.425 9.070 5.124 1.00 0.00 C ATOM 920 CD GLN A 67 0.937 9.514 6.456 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.560 9.362 7.501 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.286 9.987 6.374 1.00 0.00 N ATOM 0 H GLN A 67 2.851 10.092 3.164 1.00 0.00 H new ATOM 0 HA GLN A 67 3.413 10.759 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.116 8.142 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.207 8.135 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.205 9.852 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.859 8.188 4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.736 10.083 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.786 10.258 7.221 1.00 0.00 H new ATOM 929 N ILE A 68 5.821 8.733 4.820 1.00 0.00 N ATOM 930 CA ILE A 68 7.107 8.221 5.255 1.00 0.00 C ATOM 931 C ILE A 68 8.222 8.901 4.460 1.00 0.00 C ATOM 932 O ILE A 68 9.076 9.567 5.041 1.00 0.00 O ATOM 933 CB ILE A 68 7.087 6.685 5.146 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.174 6.138 6.259 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.500 6.110 5.256 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.983 4.618 6.229 1.00 0.00 C ATOM 0 H ILE A 68 5.432 8.239 4.017 1.00 0.00 H new ATOM 0 HA ILE A 68 7.307 8.456 6.301 1.00 0.00 H new ATOM 0 HB ILE A 68 6.700 6.385 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.590 6.421 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.198 6.617 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.458 5.024 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.119 6.509 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.931 6.387 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.327 4.318 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.536 4.326 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.950 4.128 6.341 1.00 0.00 H new ATOM 947 N ILE A 69 8.230 8.707 3.136 1.00 0.00 N ATOM 948 CA ILE A 69 9.274 9.178 2.230 1.00 0.00 C ATOM 949 C ILE A 69 10.657 9.115 2.887 1.00 0.00 C ATOM 950 O ILE A 69 11.478 8.273 2.525 1.00 0.00 O ATOM 951 CB ILE A 69 8.912 10.580 1.704 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.655 10.465 0.822 1.00 0.00 C ATOM 953 CG2 ILE A 69 10.077 11.213 0.924 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.235 11.776 0.154 1.00 0.00 C ATOM 0 H ILE A 69 7.486 8.202 2.655 1.00 0.00 H new ATOM 0 HA ILE A 69 9.332 8.513 1.368 1.00 0.00 H new ATOM 0 HB ILE A 69 8.710 11.237 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.834 9.718 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.829 10.100 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.783 12.201 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.945 11.305 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.330 10.582 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.342 11.608 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.021 12.522 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.042 12.133 -0.485 1.00 0.00 H new