USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=22 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 33 THR OG1 : rot 180:sc= 0.522 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot 162:sc= 0.97 USER MOD Set 2.2: A 21 TYR OH : rot -167:sc= 1.14 USER MOD Set 3.1: A 10 SER OG : rot -43:sc= 1.67 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -163:sc= 2.06 (180deg=0.917) USER MOD Set 4.1: A 5 TYR OH : rot -17:sc= 1.15 USER MOD Set 4.2: A 57 LYS NZ :NH3+ 173:sc= 0.728 (180deg=-0.428) USER MOD Set 4.3: A 60 THR OG1 : rot 11:sc= 1.01 USER MOD Set 5.1: A 2 LYS NZ :NH3+ -165:sc= 2.03 (180deg=0.126) USER MOD Set 5.2: A 3 ASN : amide:sc= 0.822 K(o=4.1,f=-9.7!) USER MOD Set 5.3: A 43 TYR OH : rot 154:sc= 1.21 USER MOD Single : A 9 SER OG : rot -29:sc= 0.112 USER MOD Single : A 19 ASN : amide:sc= -0.0993 K(o=-0.099,f=-6!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 23 ASN : amide:sc= 0.598 K(o=0.6,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 27 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.14) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 TYR OH : rot -98:sc= -0.762 USER MOD Single : A 41 SER OG : rot -24:sc= 0.767 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 2.84 (180deg=2.45) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 2.51 (180deg=1.91) 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= 1.19 K(o=1.2,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 5.491 2.504 -8.365 1.00 0.00 N ATOM 20 CA LYS A 2 5.801 3.483 -7.346 1.00 0.00 C ATOM 21 C LYS A 2 5.308 2.955 -6.003 1.00 0.00 C ATOM 22 O LYS A 2 4.835 1.827 -5.899 1.00 0.00 O ATOM 23 CB LYS A 2 5.172 4.826 -7.756 1.00 0.00 C ATOM 24 CG LYS A 2 3.753 4.734 -8.353 1.00 0.00 C ATOM 25 CD LYS A 2 2.608 5.152 -7.429 1.00 0.00 C ATOM 26 CE LYS A 2 2.609 6.627 -6.974 1.00 0.00 C ATOM 27 NZ LYS A 2 2.961 6.804 -5.543 1.00 0.00 N ATOM 0 HA LYS A 2 6.873 3.653 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.139 5.475 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.825 5.307 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.716 5.355 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.580 3.706 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.665 4.950 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.634 4.519 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.316 7.187 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.623 7.055 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.701 7.764 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.445 6.107 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.984 6.666 -5.418 1.00 0.00 H new ATOM 37 N ASN A 3 5.392 3.762 -4.950 1.00 0.00 N ATOM 38 CA ASN A 3 4.684 3.450 -3.727 1.00 0.00 C ATOM 39 C ASN A 3 3.189 3.507 -3.998 1.00 0.00 C ATOM 40 O ASN A 3 2.617 4.563 -4.255 1.00 0.00 O ATOM 41 CB ASN A 3 5.091 4.394 -2.613 1.00 0.00 C ATOM 42 CG ASN A 3 5.098 5.877 -2.918 1.00 0.00 C ATOM 43 OD1 ASN A 3 5.053 6.313 -4.070 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.190 6.639 -1.845 1.00 0.00 N ATOM 0 H ASN A 3 5.937 4.624 -4.924 1.00 0.00 H new ATOM 0 HA ASN A 3 4.943 2.444 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.420 4.228 -1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.092 4.114 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.228 7.654 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.223 6.213 -0.919 1.00 0.00 H new ATOM 50 N GLY A 4 2.596 2.328 -4.017 1.00 0.00 N ATOM 51 CA GLY A 4 1.258 2.050 -4.522 1.00 0.00 C ATOM 52 C GLY A 4 0.364 1.631 -3.364 1.00 0.00 C ATOM 53 O GLY A 4 0.799 1.715 -2.216 1.00 0.00 O ATOM 0 H GLY A 4 3.058 1.491 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.850 2.934 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.296 1.260 -5.272 1.00 0.00 H new ATOM 57 N TYR A 5 -0.829 1.092 -3.656 1.00 0.00 N ATOM 58 CA TYR A 5 -1.370 0.065 -2.775 1.00 0.00 C ATOM 59 C TYR A 5 -1.252 -1.271 -3.472 1.00 0.00 C ATOM 60 O TYR A 5 -1.379 -1.330 -4.699 1.00 0.00 O ATOM 61 CB TYR A 5 -2.856 0.238 -2.357 1.00 0.00 C ATOM 62 CG TYR A 5 -3.467 1.616 -2.141 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.018 2.406 -1.079 1.00 0.00 C ATOM 64 CD2 TYR A 5 -4.702 1.947 -2.735 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.671 3.598 -0.739 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.418 3.085 -2.329 1.00 0.00 C ATOM 67 CZ TYR A 5 -4.909 3.914 -1.325 1.00 0.00 C ATOM 68 OH TYR A 5 -5.612 5.028 -0.954 1.00 0.00 O ATOM 0 H TYR A 5 -1.409 1.339 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.786 0.143 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.459 -0.260 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.991 -0.317 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.154 2.093 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.104 1.316 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.223 4.274 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.364 3.320 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.273 5.358 -0.096 1.00 0.00 H new ATOM 77 N ALA A 6 -1.040 -2.317 -2.668 1.00 0.00 N ATOM 78 CA ALA A 6 -1.002 -3.679 -3.177 1.00 0.00 C ATOM 79 C ALA A 6 -2.321 -4.373 -2.871 1.00 0.00 C ATOM 80 O ALA A 6 -2.843 -4.258 -1.761 1.00 0.00 O ATOM 81 CB ALA A 6 0.147 -4.467 -2.554 1.00 0.00 C ATOM 0 H ALA A 6 -0.893 -2.240 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.845 -3.639 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.151 -5.481 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.093 -3.980 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.019 -4.503 -1.472 1.00 0.00 H new ATOM 87 N VAL A 7 -2.830 -5.116 -3.851 1.00 0.00 N ATOM 88 CA VAL A 7 -3.896 -6.083 -3.646 1.00 0.00 C ATOM 89 C VAL A 7 -3.321 -7.500 -3.618 1.00 0.00 C ATOM 90 O VAL A 7 -2.206 -7.737 -4.084 1.00 0.00 O ATOM 91 CB VAL A 7 -4.975 -5.934 -4.731 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.947 -4.824 -4.340 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.395 -5.702 -6.139 1.00 0.00 C ATOM 0 H VAL A 7 -2.508 -5.060 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.370 -5.892 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.511 -6.881 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.711 -4.721 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.421 -5.073 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.404 -3.884 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.210 -5.605 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.799 -4.789 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.765 -6.547 -6.417 1.00 0.00 H new ATOM 103 N ASP A 8 -4.107 -8.434 -3.075 1.00 0.00 N ATOM 104 CA ASP A 8 -3.902 -9.869 -3.205 1.00 0.00 C ATOM 105 C ASP A 8 -3.745 -10.269 -4.666 1.00 0.00 C ATOM 106 O ASP A 8 -4.099 -9.538 -5.592 1.00 0.00 O ATOM 107 CB ASP A 8 -5.099 -10.605 -2.577 1.00 0.00 C ATOM 108 CG ASP A 8 -5.238 -12.075 -2.913 1.00 0.00 C ATOM 109 OD1 ASP A 8 -4.253 -12.809 -2.707 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.291 -12.418 -3.497 1.00 0.00 O ATOM 0 H ASP A 8 -4.928 -8.199 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.984 -10.145 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.030 -10.507 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.013 -10.096 -2.885 1.00 0.00 H new ATOM 114 N SER A 9 -3.318 -11.513 -4.834 1.00 0.00 N ATOM 115 CA SER A 9 -3.280 -12.224 -6.098 1.00 0.00 C ATOM 116 C SER A 9 -4.629 -12.198 -6.828 1.00 0.00 C ATOM 117 O SER A 9 -4.640 -12.446 -8.032 1.00 0.00 O ATOM 118 CB SER A 9 -2.829 -13.669 -5.863 1.00 0.00 C ATOM 119 OG SER A 9 -2.580 -14.305 -7.103 1.00 0.00 O ATOM 0 H SER A 9 -2.974 -12.076 -4.056 1.00 0.00 H new ATOM 0 HA SER A 9 -2.564 -11.713 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.928 -13.682 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.596 -14.214 -5.313 1.00 0.00 H new ATOM 0 HG SER A 9 -3.147 -13.905 -7.795 1.00 0.00 H new ATOM 124 N SER A 10 -5.752 -11.948 -6.139 1.00 0.00 N ATOM 125 CA SER A 10 -7.046 -11.756 -6.788 1.00 0.00 C ATOM 126 C SER A 10 -7.699 -10.432 -6.371 1.00 0.00 C ATOM 127 O SER A 10 -8.920 -10.317 -6.348 1.00 0.00 O ATOM 128 CB SER A 10 -7.933 -12.989 -6.569 1.00 0.00 C ATOM 129 OG SER A 10 -8.030 -13.318 -5.197 1.00 0.00 O ATOM 0 H SER A 10 -5.784 -11.875 -5.122 1.00 0.00 H new ATOM 0 HA SER A 10 -6.899 -11.666 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.928 -12.799 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.524 -13.836 -7.120 1.00 0.00 H new ATOM 0 HG SER A 10 -7.147 -13.243 -4.779 1.00 0.00 H new ATOM 134 N GLY A 11 -6.885 -9.410 -6.094 1.00 0.00 N ATOM 135 CA GLY A 11 -7.308 -8.025 -6.151 1.00 0.00 C ATOM 136 C GLY A 11 -8.118 -7.564 -4.937 1.00 0.00 C ATOM 137 O GLY A 11 -9.107 -6.854 -5.095 1.00 0.00 O ATOM 0 H GLY A 11 -5.909 -9.530 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.426 -7.392 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.906 -7.877 -7.050 1.00 0.00 H new ATOM 141 N LYS A 12 -7.696 -7.951 -3.728 1.00 0.00 N ATOM 142 CA LYS A 12 -8.302 -7.497 -2.474 1.00 0.00 C ATOM 143 C LYS A 12 -7.232 -6.853 -1.593 1.00 0.00 C ATOM 144 O LYS A 12 -6.146 -7.412 -1.447 1.00 0.00 O ATOM 145 CB LYS A 12 -8.989 -8.659 -1.742 1.00 0.00 C ATOM 146 CG LYS A 12 -10.051 -9.349 -2.614 1.00 0.00 C ATOM 147 CD LYS A 12 -9.513 -10.637 -3.254 1.00 0.00 C ATOM 148 CE LYS A 12 -9.549 -11.807 -2.261 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.733 -12.942 -2.733 1.00 0.00 N ATOM 0 H LYS A 12 -6.916 -8.595 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.068 -6.755 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.239 -9.390 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.456 -8.286 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.925 -9.583 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.380 -8.665 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.107 -10.885 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.490 -10.477 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.183 -11.473 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.579 -12.133 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.997 -13.801 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.899 -13.091 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.726 -12.736 -2.574 1.00 0.00 H new ATOM 159 N VAL A 13 -7.507 -5.665 -1.047 1.00 0.00 N ATOM 160 CA VAL A 13 -6.546 -4.919 -0.243 1.00 0.00 C ATOM 161 C VAL A 13 -6.436 -5.535 1.153 1.00 0.00 C ATOM 162 O VAL A 13 -7.447 -5.857 1.776 1.00 0.00 O ATOM 163 CB VAL A 13 -6.912 -3.424 -0.180 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.796 -2.786 -1.566 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.313 -3.149 0.386 1.00 0.00 C ATOM 0 H VAL A 13 -8.406 -5.196 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.568 -4.986 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.197 -2.977 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.058 -1.730 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.773 -2.885 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.475 -3.288 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.496 -2.075 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.060 -3.637 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.378 -3.540 1.402 1.00 0.00 H new ATOM 175 N SER A 14 -5.210 -5.677 1.664 1.00 0.00 N ATOM 176 CA SER A 14 -4.995 -6.204 3.007 1.00 0.00 C ATOM 177 C SER A 14 -5.170 -5.058 4.007 1.00 0.00 C ATOM 178 O SER A 14 -4.196 -4.579 4.587 1.00 0.00 O ATOM 179 CB SER A 14 -3.628 -6.906 3.101 1.00 0.00 C ATOM 180 OG SER A 14 -3.657 -7.912 4.100 1.00 0.00 O ATOM 0 H SER A 14 -4.354 -5.434 1.165 1.00 0.00 H new ATOM 0 HA SER A 14 -5.730 -6.972 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.372 -7.348 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.852 -6.176 3.333 1.00 0.00 H new ATOM 0 HG SER A 14 -2.910 -8.532 3.962 1.00 0.00 H new ATOM 185 N GLU A 15 -6.410 -4.579 4.153 1.00 0.00 N ATOM 186 CA GLU A 15 -6.716 -3.500 5.081 1.00 0.00 C ATOM 187 C GLU A 15 -6.552 -3.964 6.526 1.00 0.00 C ATOM 188 O GLU A 15 -6.246 -5.129 6.788 1.00 0.00 O ATOM 189 CB GLU A 15 -8.124 -2.945 4.845 1.00 0.00 C ATOM 190 CG GLU A 15 -8.226 -1.420 5.013 1.00 0.00 C ATOM 191 CD GLU A 15 -9.220 -1.048 6.098 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.981 -1.523 7.227 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.190 -0.335 5.770 1.00 0.00 O ATOM 0 H GLU A 15 -7.217 -4.927 3.635 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.006 -2.694 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.446 -3.213 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.815 -3.425 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.246 -1.013 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.529 -0.968 4.069 1.00 0.00 H new ATOM 198 N CYS A 16 -6.761 -3.026 7.445 1.00 0.00 N ATOM 199 CA CYS A 16 -6.348 -3.065 8.849 1.00 0.00 C ATOM 200 C CYS A 16 -6.338 -1.663 9.461 1.00 0.00 C ATOM 201 O CYS A 16 -6.457 -0.662 8.763 1.00 0.00 O ATOM 202 CB CYS A 16 -4.921 -3.615 9.016 1.00 0.00 C ATOM 203 SG CYS A 16 -3.580 -2.442 8.683 1.00 0.00 S ATOM 0 H CYS A 16 -7.254 -2.163 7.217 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.069 -3.713 9.347 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.811 -3.984 10.036 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.802 -4.472 8.353 1.00 0.00 H new ATOM 207 N LEU A 17 -6.077 -1.597 10.771 1.00 0.00 N ATOM 208 CA LEU A 17 -5.662 -0.384 11.455 1.00 0.00 C ATOM 209 C LEU A 17 -4.127 -0.284 11.527 1.00 0.00 C ATOM 210 O LEU A 17 -3.570 0.799 11.363 1.00 0.00 O ATOM 211 CB LEU A 17 -6.308 -0.318 12.849 1.00 0.00 C ATOM 212 CG LEU A 17 -6.281 -1.619 13.677 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.092 -1.289 15.161 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.583 -2.415 13.516 1.00 0.00 C ATOM 0 H LEU A 17 -6.152 -2.404 11.390 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.007 0.477 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.807 0.462 13.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.347 -0.009 12.730 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.451 -2.223 13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.074 -2.213 15.740 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.151 -0.756 15.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.916 -0.663 15.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.529 -3.325 14.113 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.424 -1.809 13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.722 -2.677 12.467 1.00 0.00 H new ATOM 225 N LEU A 18 -3.430 -1.388 11.821 1.00 0.00 N ATOM 226 CA LEU A 18 -2.011 -1.355 12.146 1.00 0.00 C ATOM 227 C LEU A 18 -1.122 -1.057 10.934 1.00 0.00 C ATOM 228 O LEU A 18 -0.991 -1.865 10.017 1.00 0.00 O ATOM 229 CB LEU A 18 -1.580 -2.677 12.781 1.00 0.00 C ATOM 230 CG LEU A 18 -2.267 -2.986 14.118 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.725 -4.333 14.586 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.984 -1.930 15.192 1.00 0.00 C ATOM 0 H LEU A 18 -3.838 -2.323 11.839 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.878 -0.536 12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.788 -3.488 12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.501 -2.658 12.935 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.347 -2.994 13.969 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.185 -4.599 15.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.958 -5.097 13.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.644 -4.267 14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.496 -2.203 16.115 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.911 -1.876 15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.343 -0.959 14.851 1.00 0.00 H new ATOM 243 N ASN A 19 -0.415 0.069 10.997 1.00 0.00 N ATOM 244 CA ASN A 19 0.628 0.437 10.044 1.00 0.00 C ATOM 245 C ASN A 19 1.609 -0.721 9.829 1.00 0.00 C ATOM 246 O ASN A 19 1.884 -1.126 8.699 1.00 0.00 O ATOM 247 CB ASN A 19 1.360 1.715 10.496 1.00 0.00 C ATOM 248 CG ASN A 19 1.961 1.665 11.898 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.640 0.795 12.704 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.815 2.630 12.211 1.00 0.00 N ATOM 0 H ASN A 19 -0.555 0.766 11.728 1.00 0.00 H new ATOM 0 HA ASN A 19 0.152 0.648 9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.158 1.927 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.661 2.550 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.226 2.665 13.144 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.061 3.338 11.519 1.00 0.00 H new ATOM 256 N ASN A 20 2.121 -1.258 10.936 1.00 0.00 N ATOM 257 CA ASN A 20 3.147 -2.286 10.933 1.00 0.00 C ATOM 258 C ASN A 20 2.689 -3.495 10.125 1.00 0.00 C ATOM 259 O ASN A 20 3.436 -3.947 9.259 1.00 0.00 O ATOM 260 CB ASN A 20 3.517 -2.687 12.369 1.00 0.00 C ATOM 261 CG ASN A 20 4.234 -1.578 13.137 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.583 -0.540 12.584 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.464 -1.786 14.430 1.00 0.00 N ATOM 0 H ASN A 20 1.826 -0.983 11.873 1.00 0.00 H new ATOM 0 HA ASN A 20 4.041 -1.882 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.611 -2.965 12.907 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.154 -3.571 12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.940 -1.074 14.984 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.164 -2.657 14.868 1.00 0.00 H new ATOM 269 N TYR A 21 1.476 -3.995 10.400 1.00 0.00 N ATOM 270 CA TYR A 21 0.890 -5.141 9.713 1.00 0.00 C ATOM 271 C TYR A 21 0.989 -4.958 8.203 1.00 0.00 C ATOM 272 O TYR A 21 1.610 -5.767 7.519 1.00 0.00 O ATOM 273 CB TYR A 21 -0.573 -5.333 10.145 1.00 0.00 C ATOM 274 CG TYR A 21 -1.356 -6.313 9.287 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.254 -7.698 9.506 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.108 -5.838 8.192 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.885 -8.599 8.629 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.719 -6.739 7.306 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.598 -8.119 7.517 1.00 0.00 C ATOM 280 OH TYR A 21 -3.059 -8.991 6.577 1.00 0.00 O ATOM 0 H TYR A 21 0.869 -3.603 11.120 1.00 0.00 H new ATOM 0 HA TYR A 21 1.447 -6.037 9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.592 -5.678 11.179 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.076 -4.366 10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.691 -8.071 10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.214 -4.775 8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.821 -9.662 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.282 -6.369 6.462 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.344 -8.494 5.782 1.00 0.00 H new ATOM 289 N CYS A 22 0.377 -3.887 7.691 1.00 0.00 N ATOM 290 CA CYS A 22 0.369 -3.606 6.261 1.00 0.00 C ATOM 291 C CYS A 22 1.782 -3.647 5.704 1.00 0.00 C ATOM 292 O CYS A 22 2.034 -4.357 4.737 1.00 0.00 O ATOM 293 CB CYS A 22 -0.171 -2.204 6.009 1.00 0.00 C ATOM 294 SG CYS A 22 0.184 -1.559 4.361 1.00 0.00 S ATOM 0 H CYS A 22 -0.122 -3.198 8.254 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.255 -4.358 5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.251 -2.210 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.251 -1.526 6.751 1.00 0.00 H new ATOM 298 N ASN A 23 2.696 -2.878 6.304 1.00 0.00 N ATOM 299 CA ASN A 23 4.058 -2.791 5.797 1.00 0.00 C ATOM 300 C ASN A 23 4.683 -4.185 5.740 1.00 0.00 C ATOM 301 O ASN A 23 5.200 -4.595 4.700 1.00 0.00 O ATOM 302 CB ASN A 23 4.863 -1.767 6.625 1.00 0.00 C ATOM 303 CG ASN A 23 6.111 -2.312 7.315 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.220 -2.144 6.824 1.00 0.00 O ATOM 305 ND2 ASN A 23 5.957 -2.938 8.479 1.00 0.00 N ATOM 0 H ASN A 23 2.514 -2.313 7.134 1.00 0.00 H new ATOM 0 HA ASN A 23 4.064 -2.419 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.160 -0.949 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.206 -1.343 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.773 -3.289 8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.023 -3.067 8.869 1.00 0.00 H new ATOM 311 N ASN A 24 4.578 -4.934 6.845 1.00 0.00 N ATOM 312 CA ASN A 24 5.111 -6.258 6.984 1.00 0.00 C ATOM 313 C ASN A 24 4.645 -7.148 5.848 1.00 0.00 C ATOM 314 O ASN A 24 5.468 -7.743 5.170 1.00 0.00 O ATOM 315 CB ASN A 24 4.672 -6.821 8.335 1.00 0.00 C ATOM 316 CG ASN A 24 5.640 -7.904 8.742 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.365 -9.095 8.643 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.806 -7.461 9.189 1.00 0.00 N ATOM 0 H ASN A 24 4.100 -4.606 7.684 1.00 0.00 H new ATOM 0 HA ASN A 24 6.200 -6.222 6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.651 -6.031 9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.661 -7.223 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.529 -8.123 9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.981 -6.458 9.250 1.00 0.00 H new ATOM 324 N ILE A 25 3.336 -7.223 5.617 1.00 0.00 N ATOM 325 CA ILE A 25 2.759 -8.042 4.569 1.00 0.00 C ATOM 326 C ILE A 25 3.282 -7.590 3.210 1.00 0.00 C ATOM 327 O ILE A 25 3.683 -8.409 2.381 1.00 0.00 O ATOM 328 CB ILE A 25 1.227 -7.887 4.642 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.690 -8.432 5.971 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.509 -8.526 3.448 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.571 -9.959 6.043 1.00 0.00 C ATOM 0 H ILE A 25 2.644 -6.709 6.162 1.00 0.00 H new ATOM 0 HA ILE A 25 3.034 -9.088 4.701 1.00 0.00 H new ATOM 0 HB ILE A 25 1.013 -6.819 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.344 -8.095 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.292 -7.997 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.567 -8.386 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.848 -8.055 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.735 -9.592 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.183 -10.248 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.108 -10.308 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.553 -10.408 5.895 1.00 0.00 H new ATOM 342 N CYS A 26 3.235 -6.280 2.973 1.00 0.00 N ATOM 343 CA CYS A 26 3.460 -5.738 1.640 1.00 0.00 C ATOM 344 C CYS A 26 4.861 -6.027 1.141 1.00 0.00 C ATOM 345 O CYS A 26 5.047 -6.316 -0.041 1.00 0.00 O ATOM 346 CB CYS A 26 3.088 -4.259 1.485 1.00 0.00 C ATOM 347 SG CYS A 26 2.407 -4.049 -0.164 1.00 0.00 S ATOM 0 H CYS A 26 3.043 -5.578 3.687 1.00 0.00 H new ATOM 0 HA CYS A 26 2.760 -6.271 0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.361 -3.964 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.965 -3.626 1.622 1.00 0.00 H new ATOM 351 N THR A 27 5.839 -5.979 2.046 1.00 0.00 N ATOM 352 CA THR A 27 7.178 -6.459 1.733 1.00 0.00 C ATOM 353 C THR A 27 7.234 -7.996 1.741 1.00 0.00 C ATOM 354 O THR A 27 7.752 -8.600 0.806 1.00 0.00 O ATOM 355 CB THR A 27 8.232 -5.772 2.614 1.00 0.00 C ATOM 356 OG1 THR A 27 9.526 -6.005 2.105 1.00 0.00 O ATOM 357 CG2 THR A 27 8.196 -6.204 4.076 1.00 0.00 C ATOM 0 H THR A 27 5.728 -5.615 2.992 1.00 0.00 H new ATOM 0 HA THR A 27 7.431 -6.173 0.712 1.00 0.00 H new ATOM 0 HB THR A 27 7.986 -4.711 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.667 -5.456 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.970 -5.674 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.220 -5.969 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.372 -7.278 4.143 1.00 0.00 H new ATOM 365 N LYS A 28 6.686 -8.644 2.776 1.00 0.00 N ATOM 366 CA LYS A 28 6.840 -10.075 3.013 1.00 0.00 C ATOM 367 C LYS A 28 6.459 -10.871 1.775 1.00 0.00 C ATOM 368 O LYS A 28 7.208 -11.760 1.369 1.00 0.00 O ATOM 369 CB LYS A 28 5.989 -10.551 4.205 1.00 0.00 C ATOM 370 CG LYS A 28 6.188 -12.037 4.547 1.00 0.00 C ATOM 371 CD LYS A 28 7.585 -12.344 5.120 1.00 0.00 C ATOM 372 CE LYS A 28 8.320 -13.472 4.375 1.00 0.00 C ATOM 373 NZ LYS A 28 8.819 -13.065 3.042 1.00 0.00 N ATOM 0 H LYS A 28 6.115 -8.177 3.480 1.00 0.00 H new ATOM 0 HA LYS A 28 7.891 -10.247 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.235 -9.949 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.936 -10.375 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.431 -12.342 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.031 -12.634 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.191 -11.439 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.486 -12.618 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.160 -13.812 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.646 -14.321 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.376 -13.840 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.013 -12.848 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.419 -12.221 3.139 1.00 0.00 H new ATOM 383 N VAL A 29 5.267 -10.612 1.245 1.00 0.00 N ATOM 384 CA VAL A 29 4.698 -11.336 0.158 1.00 0.00 C ATOM 385 C VAL A 29 5.134 -10.675 -1.149 1.00 0.00 C ATOM 386 O VAL A 29 5.777 -11.318 -1.974 1.00 0.00 O ATOM 387 CB VAL A 29 3.181 -11.346 0.389 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.619 -12.401 -0.532 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.785 -11.737 1.824 1.00 0.00 C ATOM 0 H VAL A 29 4.665 -9.862 1.586 1.00 0.00 H new ATOM 0 HA VAL A 29 5.035 -12.371 0.093 1.00 0.00 H new ATOM 0 HB VAL A 29 2.800 -10.341 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.537 -12.452 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.855 -12.146 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.058 -13.368 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.699 -11.724 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.156 -12.738 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.219 -11.026 2.528 1.00 0.00 H new ATOM 399 N TYR A 30 4.781 -9.399 -1.337 1.00 0.00 N ATOM 400 CA TYR A 30 4.902 -8.712 -2.604 1.00 0.00 C ATOM 401 C TYR A 30 5.978 -7.648 -2.654 1.00 0.00 C ATOM 402 O TYR A 30 6.005 -6.854 -3.598 1.00 0.00 O ATOM 403 CB TYR A 30 3.551 -8.122 -2.996 1.00 0.00 C ATOM 404 CG TYR A 30 2.324 -8.666 -2.321 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.810 -9.900 -2.737 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.654 -7.907 -1.349 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.643 -10.398 -2.149 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.486 -8.407 -0.757 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.026 -9.655 -1.161 1.00 0.00 C ATOM 410 OH TYR A 30 -1.140 -10.168 -0.569 1.00 0.00 O ATOM 0 H TYR A 30 4.398 -8.815 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 30 5.220 -9.467 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.588 -7.049 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.428 -8.254 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.312 -10.465 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.037 -6.940 -1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.254 -11.358 -2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.020 -7.836 0.007 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.482 -9.531 0.092 1.00 0.00 H new ATOM 419 N TYR A 31 6.914 -7.690 -1.712 1.00 0.00 N ATOM 420 CA TYR A 31 8.190 -7.042 -1.880 1.00 0.00 C ATOM 421 C TYR A 31 8.085 -5.546 -2.225 1.00 0.00 C ATOM 422 O TYR A 31 8.934 -5.007 -2.932 1.00 0.00 O ATOM 423 CB TYR A 31 9.061 -7.921 -2.791 1.00 0.00 C ATOM 424 CG TYR A 31 8.553 -8.322 -4.162 1.00 0.00 C ATOM 425 CD1 TYR A 31 7.857 -9.534 -4.318 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.981 -7.613 -5.301 1.00 0.00 C ATOM 427 CE1 TYR A 31 7.485 -9.977 -5.598 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.726 -8.131 -6.581 1.00 0.00 C ATOM 429 CZ TYR A 31 7.942 -9.287 -6.732 1.00 0.00 C ATOM 430 OH TYR A 31 7.660 -9.754 -7.980 1.00 0.00 O ATOM 0 H TYR A 31 6.802 -8.173 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 31 8.716 -6.975 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.008 -7.401 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.280 -8.838 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.608 -10.127 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.503 -6.674 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.851 -10.844 -5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.134 -7.639 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 31 6.805 -10.234 -7.964 1.00 0.00 H new ATOM 439 N ALA A 32 7.092 -4.853 -1.642 1.00 0.00 N ATOM 440 CA ALA A 32 7.220 -3.442 -1.290 1.00 0.00 C ATOM 441 C ALA A 32 8.335 -3.256 -0.243 1.00 0.00 C ATOM 442 O ALA A 32 8.999 -4.222 0.133 1.00 0.00 O ATOM 443 CB ALA A 32 5.882 -2.996 -0.699 1.00 0.00 C ATOM 0 H ALA A 32 6.186 -5.259 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 32 7.475 -2.851 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.939 -1.943 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.093 -3.135 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.659 -3.592 0.186 1.00 0.00 H new ATOM 449 N THR A 33 8.505 -2.043 0.291 1.00 0.00 N ATOM 450 CA THR A 33 9.335 -1.765 1.448 1.00 0.00 C ATOM 451 C THR A 33 8.427 -1.448 2.643 1.00 0.00 C ATOM 452 O THR A 33 7.984 -2.351 3.347 1.00 0.00 O ATOM 453 CB THR A 33 10.332 -0.643 1.113 1.00 0.00 C ATOM 454 OG1 THR A 33 9.659 0.527 0.677 1.00 0.00 O ATOM 455 CG2 THR A 33 11.290 -1.089 0.002 1.00 0.00 C ATOM 0 H THR A 33 8.053 -1.210 -0.086 1.00 0.00 H new ATOM 0 HA THR A 33 9.936 -2.632 1.723 1.00 0.00 H new ATOM 0 HB THR A 33 10.889 -0.424 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.316 1.225 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.988 -0.282 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.844 -1.968 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.719 -1.334 -0.894 1.00 0.00 H new ATOM 463 N SER A 34 8.144 -0.165 2.856 1.00 0.00 N ATOM 464 CA SER A 34 7.298 0.336 3.927 1.00 0.00 C ATOM 465 C SER A 34 5.829 0.245 3.498 1.00 0.00 C ATOM 466 O SER A 34 5.508 -0.407 2.507 1.00 0.00 O ATOM 467 CB SER A 34 7.724 1.773 4.268 1.00 0.00 C ATOM 468 OG SER A 34 9.135 1.883 4.232 1.00 0.00 O ATOM 0 H SER A 34 8.513 0.579 2.263 1.00 0.00 H new ATOM 0 HA SER A 34 7.411 -0.266 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.279 2.471 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.355 2.045 5.257 1.00 0.00 H new ATOM 0 HG SER A 34 9.397 2.802 4.449 1.00 0.00 H new ATOM 473 N GLY A 35 4.930 0.933 4.207 1.00 0.00 N ATOM 474 CA GLY A 35 3.494 0.845 3.968 1.00 0.00 C ATOM 475 C GLY A 35 2.735 1.061 5.261 1.00 0.00 C ATOM 476 O GLY A 35 3.339 1.122 6.331 1.00 0.00 O ATOM 0 H GLY A 35 5.182 1.568 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.194 1.591 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.246 -0.131 3.551 1.00 0.00 H new ATOM 480 N TYR A 36 1.416 1.199 5.133 1.00 0.00 N ATOM 481 CA TYR A 36 0.461 1.321 6.219 1.00 0.00 C ATOM 482 C TYR A 36 -0.939 1.335 5.638 1.00 0.00 C ATOM 483 O TYR A 36 -1.128 1.593 4.449 1.00 0.00 O ATOM 484 CB TYR A 36 0.728 2.558 7.086 1.00 0.00 C ATOM 485 CG TYR A 36 0.891 3.844 6.314 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.243 4.526 5.839 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.176 4.332 6.027 1.00 0.00 C ATOM 488 CE1 TYR A 36 -0.085 5.635 4.995 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.331 5.437 5.181 1.00 0.00 C ATOM 490 CZ TYR A 36 1.202 6.046 4.617 1.00 0.00 C ATOM 491 OH TYR A 36 1.356 7.016 3.682 1.00 0.00 O ATOM 0 H TYR A 36 0.967 1.230 4.218 1.00 0.00 H new ATOM 0 HA TYR A 36 0.568 0.463 6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.095 2.675 7.792 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.630 2.386 7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.232 4.197 6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.044 3.856 6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.952 6.171 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.318 5.819 4.964 1.00 0.00 H new ATOM 0 HH TYR A 36 1.529 6.605 2.809 1.00 0.00 H new ATOM 500 N CYS A 37 -1.913 1.036 6.491 1.00 0.00 N ATOM 501 CA CYS A 37 -3.312 1.001 6.101 1.00 0.00 C ATOM 502 C CYS A 37 -3.799 2.441 5.964 1.00 0.00 C ATOM 503 O CYS A 37 -4.270 3.055 6.918 1.00 0.00 O ATOM 504 CB CYS A 37 -4.134 0.138 7.062 1.00 0.00 C ATOM 505 SG CYS A 37 -3.875 -1.638 6.782 1.00 0.00 S ATOM 0 H CYS A 37 -1.751 0.811 7.473 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.440 0.516 5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.866 0.385 8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.192 0.372 6.944 1.00 0.00 H new ATOM 509 N CYS A 38 -3.625 2.980 4.758 1.00 0.00 N ATOM 510 CA CYS A 38 -4.201 4.239 4.319 1.00 0.00 C ATOM 511 C CYS A 38 -5.728 4.101 4.312 1.00 0.00 C ATOM 512 O CYS A 38 -6.225 2.983 4.408 1.00 0.00 O ATOM 513 CB CYS A 38 -3.677 4.524 2.906 1.00 0.00 C ATOM 514 SG CYS A 38 -4.233 6.067 2.157 1.00 0.00 S ATOM 0 H CYS A 38 -3.058 2.532 4.038 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.927 5.059 4.982 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.587 4.530 2.938 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.973 3.700 2.257 1.00 0.00 H new ATOM 518 N LEU A 39 -6.444 5.223 4.156 1.00 0.00 N ATOM 519 CA LEU A 39 -7.888 5.423 4.070 1.00 0.00 C ATOM 520 C LEU A 39 -8.733 4.153 4.184 1.00 0.00 C ATOM 521 O LEU A 39 -9.540 4.019 5.098 1.00 0.00 O ATOM 522 CB LEU A 39 -8.218 6.181 2.765 1.00 0.00 C ATOM 523 CG LEU A 39 -9.560 6.929 2.899 1.00 0.00 C ATOM 524 CD1 LEU A 39 -9.385 8.269 3.629 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.216 7.182 1.536 1.00 0.00 C ATOM 0 H LEU A 39 -5.960 6.118 4.078 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.163 6.010 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.421 6.889 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.268 5.479 1.933 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.212 6.282 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.350 8.770 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.988 8.090 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.692 8.899 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.158 7.711 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.551 7.785 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.406 6.230 1.041 1.00 0.00 H new ATOM 536 N LEU A 40 -8.567 3.262 3.207 1.00 0.00 N ATOM 537 CA LEU A 40 -9.171 1.940 3.181 1.00 0.00 C ATOM 538 C LEU A 40 -8.353 1.000 2.286 1.00 0.00 C ATOM 539 O LEU A 40 -8.913 0.211 1.525 1.00 0.00 O ATOM 540 CB LEU A 40 -10.654 2.052 2.781 1.00 0.00 C ATOM 541 CG LEU A 40 -10.991 2.996 1.629 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.233 2.725 0.323 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.499 2.976 1.362 1.00 0.00 C ATOM 0 H LEU A 40 -7.989 3.451 2.388 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.154 1.495 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.010 1.056 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.218 2.372 3.657 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.662 3.981 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.541 3.447 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.161 2.818 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.457 1.717 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.732 3.652 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.809 1.964 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.031 3.298 2.257 1.00 0.00 H new ATOM 554 N SER A 41 -7.017 1.092 2.330 1.00 0.00 N ATOM 555 CA SER A 41 -6.129 0.226 1.561 1.00 0.00 C ATOM 556 C SER A 41 -4.712 0.254 2.140 1.00 0.00 C ATOM 557 O SER A 41 -4.290 1.255 2.712 1.00 0.00 O ATOM 558 CB SER A 41 -6.047 0.671 0.095 1.00 0.00 C ATOM 559 OG SER A 41 -7.307 0.943 -0.493 1.00 0.00 O ATOM 0 H SER A 41 -6.524 1.775 2.905 1.00 0.00 H new ATOM 0 HA SER A 41 -6.543 -0.781 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.426 1.565 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.547 -0.106 -0.483 1.00 0.00 H new ATOM 0 HG SER A 41 -8.006 0.454 -0.010 1.00 0.00 H new ATOM 564 N CYS A 42 -3.958 -0.825 1.933 1.00 0.00 N ATOM 565 CA CYS A 42 -2.575 -0.945 2.378 1.00 0.00 C ATOM 566 C CYS A 42 -1.616 -0.362 1.341 1.00 0.00 C ATOM 567 O CYS A 42 -1.358 -0.952 0.281 1.00 0.00 O ATOM 568 CB CYS A 42 -2.301 -2.408 2.742 1.00 0.00 C ATOM 569 SG CYS A 42 -0.578 -2.890 2.963 1.00 0.00 S ATOM 0 H CYS A 42 -4.299 -1.652 1.443 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.404 -0.353 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.836 -2.633 3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.731 -3.037 1.962 1.00 0.00 H new ATOM 573 N TYR A 43 -1.137 0.841 1.684 1.00 0.00 N ATOM 574 CA TYR A 43 -0.055 1.553 1.035 1.00 0.00 C ATOM 575 C TYR A 43 1.213 0.788 1.239 1.00 0.00 C ATOM 576 O TYR A 43 1.373 0.115 2.250 1.00 0.00 O ATOM 577 CB TYR A 43 0.152 2.939 1.657 1.00 0.00 C ATOM 578 CG TYR A 43 0.623 4.037 0.691 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.131 4.108 -0.626 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.717 4.855 1.032 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.780 4.888 -1.594 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.338 5.679 0.068 1.00 0.00 C ATOM 583 CZ TYR A 43 1.804 5.770 -1.227 1.00 0.00 C ATOM 584 OH TYR A 43 2.273 6.654 -2.159 1.00 0.00 O ATOM 0 H TYR A 43 -1.525 1.364 2.469 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.307 1.659 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.786 3.258 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.882 2.851 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.757 3.555 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.087 4.852 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.488 4.808 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.224 6.239 0.327 1.00 0.00 H new ATOM 0 HH TYR A 43 2.648 7.438 -1.706 1.00 0.00 H new ATOM 593 N CYS A 44 2.104 0.921 0.276 1.00 0.00 N ATOM 594 CA CYS A 44 3.114 -0.051 0.064 1.00 0.00 C ATOM 595 C CYS A 44 4.200 0.668 -0.699 1.00 0.00 C ATOM 596 O CYS A 44 3.964 1.061 -1.842 1.00 0.00 O ATOM 597 CB CYS A 44 2.461 -1.065 -0.820 1.00 0.00 C ATOM 598 SG CYS A 44 1.356 -2.276 -0.076 1.00 0.00 S ATOM 0 H CYS A 44 2.133 1.710 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 44 3.522 -0.511 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.897 -0.526 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.251 -1.611 -1.336 1.00 0.00 H new ATOM 602 N PHE A 45 5.344 0.906 -0.071 1.00 0.00 N ATOM 603 CA PHE A 45 6.338 1.791 -0.633 1.00 0.00 C ATOM 604 C PHE A 45 7.208 1.051 -1.638 1.00 0.00 C ATOM 605 O PHE A 45 7.520 -0.119 -1.441 1.00 0.00 O ATOM 606 CB PHE A 45 7.114 2.558 0.438 1.00 0.00 C ATOM 607 CG PHE A 45 6.310 3.668 1.097 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.233 3.338 1.934 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.598 5.026 0.854 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.546 4.332 2.643 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.825 6.031 1.472 1.00 0.00 C ATOM 612 CZ PHE A 45 4.820 5.686 2.393 1.00 0.00 C ATOM 0 H PHE A 45 5.600 0.496 0.827 1.00 0.00 H new ATOM 0 HA PHE A 45 5.826 2.573 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.447 1.858 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.009 2.987 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.930 2.306 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.410 5.297 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.807 4.057 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.006 7.070 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.263 6.457 2.904 1.00 0.00 H new ATOM 621 N GLY A 46 7.551 1.734 -2.733 1.00 0.00 N ATOM 622 CA GLY A 46 8.303 1.177 -3.839 1.00 0.00 C ATOM 623 C GLY A 46 7.735 -0.161 -4.296 1.00 0.00 C ATOM 624 O GLY A 46 8.448 -1.163 -4.259 1.00 0.00 O ATOM 0 H GLY A 46 7.303 2.714 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.295 1.879 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.344 1.047 -3.542 1.00 0.00 H new ATOM 628 N LEU A 47 6.477 -0.198 -4.758 1.00 0.00 N ATOM 629 CA LEU A 47 6.053 -1.355 -5.520 1.00 0.00 C ATOM 630 C LEU A 47 6.898 -1.402 -6.791 1.00 0.00 C ATOM 631 O LEU A 47 6.865 -0.472 -7.589 1.00 0.00 O ATOM 632 CB LEU A 47 4.553 -1.318 -5.839 1.00 0.00 C ATOM 633 CG LEU A 47 3.609 -1.308 -4.620 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.372 -2.129 -4.935 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.122 -2.018 -3.412 1.00 0.00 C ATOM 0 H LEU A 47 5.773 0.528 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 47 6.204 -2.260 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.350 -0.431 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.310 -2.183 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 47 3.463 -0.246 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.703 -2.124 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.860 -1.699 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.664 -3.155 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.385 -1.953 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.303 -3.065 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.053 -1.555 -3.086 1.00 0.00 H new ATOM 646 N ASP A 48 7.701 -2.459 -6.925 1.00 0.00 N ATOM 647 CA ASP A 48 8.633 -2.619 -8.037 1.00 0.00 C ATOM 648 C ASP A 48 7.934 -3.395 -9.134 1.00 0.00 C ATOM 649 O ASP A 48 7.482 -2.825 -10.121 1.00 0.00 O ATOM 650 CB ASP A 48 9.913 -3.332 -7.596 1.00 0.00 C ATOM 651 CG ASP A 48 10.819 -3.636 -8.792 1.00 0.00 C ATOM 652 OD1 ASP A 48 10.654 -2.968 -9.841 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.636 -4.567 -8.654 1.00 0.00 O ATOM 0 H ASP A 48 7.721 -3.232 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 48 8.931 -1.637 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.450 -2.711 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.657 -4.260 -7.085 1.00 0.00 H new ATOM 657 N ASP A 49 7.809 -4.705 -8.938 1.00 0.00 N ATOM 658 CA ASP A 49 6.735 -5.455 -9.552 1.00 0.00 C ATOM 659 C ASP A 49 5.416 -4.738 -9.274 1.00 0.00 C ATOM 660 O ASP A 49 5.244 -4.110 -8.223 1.00 0.00 O ATOM 661 CB ASP A 49 6.724 -6.854 -8.959 1.00 0.00 C ATOM 662 CG ASP A 49 5.365 -7.522 -9.024 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.799 -7.574 -10.134 1.00 0.00 O ATOM 664 OD2 ASP A 49 4.879 -7.825 -7.910 1.00 0.00 O ATOM 0 H ASP A 49 8.439 -5.261 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 49 6.874 -5.528 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.450 -7.471 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.047 -6.803 -7.919 1.00 0.00 H new ATOM 668 N ASP A 50 4.502 -4.901 -10.218 1.00 0.00 N ATOM 669 CA ASP A 50 3.309 -4.144 -10.467 1.00 0.00 C ATOM 670 C ASP A 50 2.146 -5.116 -10.348 1.00 0.00 C ATOM 671 O ASP A 50 1.625 -5.679 -11.310 1.00 0.00 O ATOM 672 CB ASP A 50 3.358 -3.542 -11.862 1.00 0.00 C ATOM 673 CG ASP A 50 4.001 -2.164 -11.920 1.00 0.00 C ATOM 674 OD1 ASP A 50 3.445 -1.250 -11.268 1.00 0.00 O ATOM 675 OD2 ASP A 50 5.020 -2.039 -12.633 1.00 0.00 O ATOM 0 H ASP A 50 4.600 -5.655 -10.898 1.00 0.00 H new ATOM 0 HA ASP A 50 3.204 -3.323 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.908 -4.216 -12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.343 -3.475 -12.253 1.00 0.00 H new ATOM 679 N LYS A 51 1.726 -5.270 -9.108 1.00 0.00 N ATOM 680 CA LYS A 51 0.701 -6.196 -8.649 1.00 0.00 C ATOM 681 C LYS A 51 -0.652 -5.530 -8.880 1.00 0.00 C ATOM 682 O LYS A 51 -1.416 -5.302 -7.945 1.00 0.00 O ATOM 683 CB LYS A 51 0.957 -6.623 -7.186 1.00 0.00 C ATOM 684 CG LYS A 51 1.542 -5.516 -6.291 1.00 0.00 C ATOM 685 CD LYS A 51 3.038 -5.304 -6.597 1.00 0.00 C ATOM 686 CE LYS A 51 3.965 -5.774 -5.492 1.00 0.00 C ATOM 687 NZ LYS A 51 5.318 -6.013 -6.016 1.00 0.00 N ATOM 0 H LYS A 51 2.114 -4.718 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 51 0.721 -7.129 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.018 -6.966 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.639 -7.473 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.997 -4.586 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.414 -5.784 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.289 -5.832 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.215 -4.244 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.003 -5.026 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.575 -6.690 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.978 -6.152 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.313 -6.863 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.622 -5.194 -6.580 1.00 0.00 H new ATOM 697 N ALA A 52 -0.886 -5.161 -10.146 1.00 0.00 N ATOM 698 CA ALA A 52 -1.951 -4.277 -10.592 1.00 0.00 C ATOM 699 C ALA A 52 -2.147 -3.148 -9.580 1.00 0.00 C ATOM 700 O ALA A 52 -3.238 -2.989 -9.037 1.00 0.00 O ATOM 701 CB ALA A 52 -3.230 -5.086 -10.837 1.00 0.00 C ATOM 0 H ALA A 52 -0.306 -5.491 -10.917 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.681 -3.812 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.024 -4.418 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.043 -5.839 -11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.533 -5.576 -9.912 1.00 0.00 H new ATOM 707 N VAL A 53 -1.063 -2.411 -9.298 1.00 0.00 N ATOM 708 CA VAL A 53 -1.031 -1.506 -8.156 1.00 0.00 C ATOM 709 C VAL A 53 -2.173 -0.508 -8.260 1.00 0.00 C ATOM 710 O VAL A 53 -2.571 -0.102 -9.353 1.00 0.00 O ATOM 711 CB VAL A 53 0.313 -0.763 -7.982 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.519 -1.606 -8.395 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.415 0.578 -8.724 1.00 0.00 C ATOM 0 H VAL A 53 -0.203 -2.428 -9.847 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.147 -2.127 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 53 0.330 -0.566 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.433 -1.030 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.558 -2.508 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.427 -1.882 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.393 1.022 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.287 0.413 -9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.363 1.252 -8.365 1.00 0.00 H new ATOM 723 N LEU A 54 -2.731 -0.137 -7.112 1.00 0.00 N ATOM 724 CA LEU A 54 -4.034 0.488 -7.148 1.00 0.00 C ATOM 725 C LEU A 54 -4.027 1.913 -7.667 1.00 0.00 C ATOM 726 O LEU A 54 -3.019 2.614 -7.748 1.00 0.00 O ATOM 727 CB LEU A 54 -4.716 0.380 -5.790 1.00 0.00 C ATOM 728 CG LEU A 54 -5.627 -0.858 -5.750 1.00 0.00 C ATOM 729 CD1 LEU A 54 -4.866 -2.151 -6.053 1.00 0.00 C ATOM 730 CD2 LEU A 54 -6.344 -0.982 -4.403 1.00 0.00 C ATOM 0 H LEU A 54 -2.318 -0.254 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.619 -0.069 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.965 0.314 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.302 1.278 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.370 -0.714 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.554 -2.996 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.425 -2.089 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.076 -2.290 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.979 -1.868 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.607 -1.070 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.957 -0.097 -4.234 1.00 0.00 H new ATOM 741 N LYS A 55 -5.246 2.327 -7.990 1.00 0.00 N ATOM 742 CA LYS A 55 -5.576 3.604 -8.583 1.00 0.00 C ATOM 743 C LYS A 55 -5.676 4.623 -7.455 1.00 0.00 C ATOM 744 O LYS A 55 -6.754 5.111 -7.123 1.00 0.00 O ATOM 745 CB LYS A 55 -6.861 3.476 -9.416 1.00 0.00 C ATOM 746 CG LYS A 55 -6.625 2.549 -10.620 1.00 0.00 C ATOM 747 CD LYS A 55 -7.905 2.415 -11.455 1.00 0.00 C ATOM 748 CE LYS A 55 -7.670 1.671 -12.781 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.186 0.287 -12.588 1.00 0.00 N ATOM 0 H LYS A 55 -6.070 1.746 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.807 3.943 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.666 3.081 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.178 4.460 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.820 2.945 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.306 1.566 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.660 1.885 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.303 3.408 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.600 1.649 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.945 2.224 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.046 -0.164 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.284 0.304 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.888 -0.253 -12.043 1.00 0.00 H new ATOM 759 N ILE A 56 -4.529 4.887 -6.827 1.00 0.00 N ATOM 760 CA ILE A 56 -4.466 5.784 -5.687 1.00 0.00 C ATOM 761 C ILE A 56 -4.988 7.168 -6.077 1.00 0.00 C ATOM 762 O ILE A 56 -4.652 7.715 -7.131 1.00 0.00 O ATOM 763 CB ILE A 56 -3.074 5.848 -5.024 1.00 0.00 C ATOM 764 CG1 ILE A 56 -1.927 5.308 -5.891 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.116 5.150 -3.664 1.00 0.00 C ATOM 766 CD1 ILE A 56 -0.584 5.427 -5.179 1.00 0.00 C ATOM 0 H ILE A 56 -3.630 4.487 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.118 5.370 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.846 6.906 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.117 4.264 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.891 5.857 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.131 5.198 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.844 5.647 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.403 4.107 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.204 5.035 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.383 6.474 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.612 4.856 -4.251 1.00 0.00 H new ATOM 777 N LYS A 57 -5.822 7.715 -5.199 1.00 0.00 N ATOM 778 CA LYS A 57 -6.572 8.932 -5.384 1.00 0.00 C ATOM 779 C LYS A 57 -5.695 10.043 -4.842 1.00 0.00 C ATOM 780 O LYS A 57 -4.958 9.808 -3.893 1.00 0.00 O ATOM 781 CB LYS A 57 -7.892 8.877 -4.598 1.00 0.00 C ATOM 782 CG LYS A 57 -8.674 7.549 -4.729 1.00 0.00 C ATOM 783 CD LYS A 57 -8.259 6.402 -3.778 1.00 0.00 C ATOM 784 CE LYS A 57 -8.890 6.460 -2.384 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.292 5.451 -1.472 1.00 0.00 N ATOM 0 H LYS A 57 -5.996 7.288 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.825 9.087 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.678 9.053 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.532 9.693 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.731 7.759 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.573 7.194 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.524 5.452 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.174 6.413 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.755 7.457 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.964 6.290 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.656 5.595 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.544 4.496 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.257 5.554 -1.471 1.00 0.00 H new ATOM 795 N ASP A 58 -5.763 11.226 -5.428 1.00 0.00 N ATOM 796 CA ASP A 58 -4.840 12.326 -5.217 1.00 0.00 C ATOM 797 C ASP A 58 -4.937 12.849 -3.788 1.00 0.00 C ATOM 798 O ASP A 58 -3.928 13.059 -3.109 1.00 0.00 O ATOM 799 CB ASP A 58 -5.154 13.342 -6.310 1.00 0.00 C ATOM 800 CG ASP A 58 -4.398 13.013 -7.600 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.148 11.805 -7.839 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.063 13.970 -8.323 1.00 0.00 O ATOM 0 H ASP A 58 -6.499 11.456 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.793 12.035 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.226 13.351 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.883 14.342 -5.971 1.00 0.00 H new ATOM 806 N ALA A 59 -6.167 12.959 -3.292 1.00 0.00 N ATOM 807 CA ALA A 59 -6.403 13.168 -1.875 1.00 0.00 C ATOM 808 C ALA A 59 -5.670 12.121 -1.035 1.00 0.00 C ATOM 809 O ALA A 59 -4.893 12.478 -0.149 1.00 0.00 O ATOM 810 CB ALA A 59 -7.906 13.179 -1.584 1.00 0.00 C ATOM 0 H ALA A 59 -7.015 12.906 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.000 14.141 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.069 13.337 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.380 13.984 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.341 12.225 -1.880 1.00 0.00 H new ATOM 816 N THR A 60 -5.884 10.827 -1.308 1.00 0.00 N ATOM 817 CA THR A 60 -5.226 9.813 -0.497 1.00 0.00 C ATOM 818 C THR A 60 -3.715 9.789 -0.704 1.00 0.00 C ATOM 819 O THR A 60 -2.989 9.454 0.214 1.00 0.00 O ATOM 820 CB THR A 60 -5.845 8.430 -0.676 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.014 8.087 -2.039 1.00 0.00 O ATOM 822 CG2 THR A 60 -7.192 8.406 0.041 1.00 0.00 C ATOM 0 H THR A 60 -6.483 10.474 -2.054 1.00 0.00 H new ATOM 0 HA THR A 60 -5.396 10.102 0.540 1.00 0.00 H new ATOM 0 HB THR A 60 -5.166 7.692 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.545 8.738 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.649 7.424 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.044 8.613 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.846 9.165 -0.388 1.00 0.00 H new ATOM 830 N LYS A 61 -3.241 10.138 -1.893 1.00 0.00 N ATOM 831 CA LYS A 61 -1.833 10.306 -2.213 1.00 0.00 C ATOM 832 C LYS A 61 -1.240 11.291 -1.211 1.00 0.00 C ATOM 833 O LYS A 61 -0.328 10.933 -0.477 1.00 0.00 O ATOM 834 CB LYS A 61 -1.710 10.794 -3.671 1.00 0.00 C ATOM 835 CG LYS A 61 -1.351 9.733 -4.725 1.00 0.00 C ATOM 836 CD LYS A 61 -2.125 10.102 -6.001 1.00 0.00 C ATOM 837 CE LYS A 61 -1.845 9.307 -7.275 1.00 0.00 C ATOM 838 NZ LYS A 61 -2.957 9.500 -8.233 1.00 0.00 N ATOM 0 H LYS A 61 -3.852 10.318 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.280 9.370 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.657 11.252 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.953 11.578 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.277 9.721 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.625 8.736 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.189 10.014 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.930 11.153 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.906 9.634 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.734 8.249 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.625 9.292 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.740 8.860 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.288 10.485 -8.186 1.00 0.00 H new ATOM 848 N SER A 62 -1.773 12.511 -1.122 1.00 0.00 N ATOM 849 CA SER A 62 -1.194 13.472 -0.188 1.00 0.00 C ATOM 850 C SER A 62 -1.331 12.983 1.258 1.00 0.00 C ATOM 851 O SER A 62 -0.346 12.960 1.997 1.00 0.00 O ATOM 852 CB SER A 62 -1.829 14.851 -0.411 1.00 0.00 C ATOM 853 OG SER A 62 -1.189 15.838 0.372 1.00 0.00 O ATOM 0 H SER A 62 -2.571 12.846 -1.661 1.00 0.00 H new ATOM 0 HA SER A 62 -0.124 13.566 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.763 15.119 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.889 14.812 -0.158 1.00 0.00 H new ATOM 0 HG SER A 62 -1.611 16.708 0.211 1.00 0.00 H new ATOM 858 N TYR A 63 -2.535 12.546 1.642 1.00 0.00 N ATOM 859 CA TYR A 63 -2.806 11.977 2.959 1.00 0.00 C ATOM 860 C TYR A 63 -1.785 10.898 3.313 1.00 0.00 C ATOM 861 O TYR A 63 -1.349 10.801 4.459 1.00 0.00 O ATOM 862 CB TYR A 63 -4.210 11.356 2.950 1.00 0.00 C ATOM 863 CG TYR A 63 -4.706 10.696 4.228 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.314 11.171 5.496 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.562 9.577 4.144 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.706 10.488 6.660 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.950 8.895 5.308 1.00 0.00 C ATOM 868 CZ TYR A 63 -5.516 9.345 6.565 1.00 0.00 C ATOM 869 OH TYR A 63 -5.891 8.669 7.687 1.00 0.00 O ATOM 0 H TYR A 63 -3.356 12.579 1.037 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.740 12.771 3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.920 12.138 2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.241 10.611 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.710 12.063 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.920 9.244 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.384 10.842 7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.583 8.023 5.236 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.451 7.905 7.437 1.00 0.00 H new ATOM 878 N CYS A 64 -1.465 10.056 2.331 1.00 0.00 N ATOM 879 CA CYS A 64 -0.734 8.817 2.506 1.00 0.00 C ATOM 880 C CYS A 64 0.493 8.771 1.604 1.00 0.00 C ATOM 881 O CYS A 64 0.685 7.784 0.903 1.00 0.00 O ATOM 882 CB CYS A 64 -1.636 7.607 2.219 1.00 0.00 C ATOM 883 SG CYS A 64 -3.162 7.522 3.171 1.00 0.00 S ATOM 0 H CYS A 64 -1.720 10.231 1.359 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.404 8.774 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.891 7.611 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.063 6.699 2.405 1.00 0.00 H new ATOM 887 N ASP A 65 1.354 9.793 1.643 1.00 0.00 N ATOM 888 CA ASP A 65 2.692 9.682 1.075 1.00 0.00 C ATOM 889 C ASP A 65 3.723 10.365 1.975 1.00 0.00 C ATOM 890 O ASP A 65 4.612 9.719 2.544 1.00 0.00 O ATOM 891 CB ASP A 65 2.666 10.257 -0.340 1.00 0.00 C ATOM 892 CG ASP A 65 3.894 9.815 -1.102 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.954 10.435 -0.893 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.758 8.815 -1.847 1.00 0.00 O ATOM 0 H ASP A 65 1.145 10.700 2.061 1.00 0.00 H new ATOM 0 HA ASP A 65 2.995 8.637 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.767 9.925 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.627 11.345 -0.298 1.00 0.00 H new ATOM 898 N VAL A 66 3.516 11.673 2.161 1.00 0.00 N ATOM 899 CA VAL A 66 4.319 12.564 2.993 1.00 0.00 C ATOM 900 C VAL A 66 4.620 11.937 4.356 1.00 0.00 C ATOM 901 O VAL A 66 5.726 12.081 4.868 1.00 0.00 O ATOM 902 CB VAL A 66 3.609 13.926 3.130 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.435 14.900 3.983 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.371 14.573 1.758 1.00 0.00 C ATOM 0 H VAL A 66 2.742 12.160 1.710 1.00 0.00 H new ATOM 0 HA VAL A 66 5.282 12.726 2.508 1.00 0.00 H new ATOM 0 HB VAL A 66 2.652 13.730 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.909 15.851 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.577 14.481 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.406 15.060 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.869 15.531 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.327 14.730 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.748 13.918 1.150 1.00 0.00 H new ATOM 914 N GLN A 67 3.629 11.218 4.892 1.00 0.00 N ATOM 915 CA GLN A 67 3.681 10.328 6.039 1.00 0.00 C ATOM 916 C GLN A 67 5.089 9.815 6.330 1.00 0.00 C ATOM 917 O GLN A 67 5.639 10.061 7.401 1.00 0.00 O ATOM 918 CB GLN A 67 2.770 9.142 5.700 1.00 0.00 C ATOM 919 CG GLN A 67 1.289 9.505 5.769 1.00 0.00 C ATOM 920 CD GLN A 67 0.742 9.747 7.127 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.332 9.469 8.164 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.490 10.198 7.061 1.00 0.00 N ATOM 0 H GLN A 67 2.691 11.252 4.494 1.00 0.00 H new ATOM 0 HA GLN A 67 3.363 10.868 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.006 8.781 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.973 8.323 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.126 10.400 5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.716 8.702 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.909 10.406 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.028 10.340 7.916 1.00 0.00 H new ATOM 929 N ILE A 68 5.639 9.065 5.375 1.00 0.00 N ATOM 930 CA ILE A 68 6.942 8.450 5.470 1.00 0.00 C ATOM 931 C ILE A 68 7.910 9.216 4.562 1.00 0.00 C ATOM 932 O ILE A 68 9.068 9.403 4.928 1.00 0.00 O ATOM 933 CB ILE A 68 6.773 6.953 5.160 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.968 6.318 6.316 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.127 6.281 4.955 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.788 4.798 6.248 1.00 0.00 C ATOM 0 H ILE A 68 5.168 8.869 4.492 1.00 0.00 H new ATOM 0 HA ILE A 68 7.383 8.505 6.465 1.00 0.00 H new ATOM 0 HB ILE A 68 6.227 6.814 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.462 6.565 7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.981 6.781 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.979 5.223 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.645 6.754 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.725 6.385 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.209 4.461 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.262 4.535 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.765 4.315 6.257 1.00 0.00 H new ATOM 947 N ILE A 69 7.446 9.711 3.406 1.00 0.00 N ATOM 948 CA ILE A 69 8.230 10.650 2.609 1.00 0.00 C ATOM 949 C ILE A 69 8.171 12.018 3.288 1.00 0.00 C ATOM 950 O ILE A 69 9.125 12.793 3.224 1.00 0.00 O ATOM 951 CB ILE A 69 7.701 10.680 1.161 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.950 9.337 0.447 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.284 11.839 0.342 1.00 0.00 C ATOM 954 CD1 ILE A 69 9.404 9.076 0.041 1.00 0.00 C ATOM 0 H ILE A 69 6.537 9.475 3.008 1.00 0.00 H new ATOM 0 HA ILE A 69 9.274 10.342 2.551 1.00 0.00 H new ATOM 0 HB ILE A 69 6.626 10.845 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.621 8.529 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.327 9.297 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.877 11.811 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.021 12.786 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.369 11.744 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.475 8.107 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.737 9.857 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.036 9.077 0.929 1.00 0.00 H new