USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 368 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 58 THR OG1 : rot 180:sc= 0.00023 USER MOD Set 1.2: A 61 SER OG : rot 87:sc= 0.00036 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 11 ASN : amide:sc= -2.97! C(o=-3!,f=-7.8!) USER MOD Single : A 7 SER OG : rot 150:sc= 0.0437 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.203) USER MOD Single : A 26 GLN :FLIP amide:sc= 0.447! C(o=-1.9!,f=0.45!) USER MOD Single : A 35 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -152:sc= -3.78! USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.0963 (180deg=-0.749) USER MOD Single : A 60 GLN : amide:sc= -0.0825 K(o=-0.083,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -1.405 35.489 -8.632 1.00 0.00 N ATOM 33 CA GLU A 3 -1.424 35.345 -10.116 1.00 0.00 C ATOM 34 C GLU A 3 -0.342 34.354 -10.545 1.00 0.00 C ATOM 35 O GLU A 3 0.396 34.595 -11.479 1.00 0.00 O ATOM 36 CB GLU A 3 -1.153 36.705 -10.764 1.00 0.00 C ATOM 37 CG GLU A 3 -2.163 37.729 -10.242 1.00 0.00 C ATOM 38 CD GLU A 3 -2.851 38.418 -11.422 1.00 0.00 C ATOM 39 OE1 GLU A 3 -3.062 37.757 -12.426 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.154 39.593 -11.302 1.00 0.00 O ATOM 0 HA GLU A 3 -2.400 34.979 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.138 37.032 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.228 36.625 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.904 37.236 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.658 38.468 -9.620 1.00 0.00 H new ATOM 47 N CYS A 4 -0.240 33.241 -9.872 1.00 0.00 N ATOM 48 CA CYS A 4 0.799 32.246 -10.255 1.00 0.00 C ATOM 49 C CYS A 4 0.129 30.959 -10.741 1.00 0.00 C ATOM 50 O CYS A 4 -0.753 30.425 -10.098 1.00 0.00 O ATOM 51 CB CYS A 4 1.690 31.933 -9.050 1.00 0.00 C ATOM 52 SG CYS A 4 3.031 30.830 -9.565 1.00 0.00 S ATOM 0 H CYS A 4 -0.827 32.979 -9.080 1.00 0.00 H new ATOM 0 HA CYS A 4 1.410 32.662 -11.056 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.100 32.855 -8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.102 31.465 -8.261 1.00 0.00 H new ATOM 57 N ASP A 5 0.547 30.452 -11.870 1.00 0.00 N ATOM 58 CA ASP A 5 -0.056 29.200 -12.392 1.00 0.00 C ATOM 59 C ASP A 5 1.030 28.121 -12.451 1.00 0.00 C ATOM 60 O ASP A 5 0.863 27.083 -13.059 1.00 0.00 O ATOM 61 CB ASP A 5 -0.616 29.467 -13.791 1.00 0.00 C ATOM 62 CG ASP A 5 -1.199 28.175 -14.370 1.00 0.00 C ATOM 63 OD1 ASP A 5 -1.394 27.242 -13.609 1.00 0.00 O ATOM 64 OD2 ASP A 5 -1.443 28.141 -15.565 1.00 0.00 O ATOM 0 H ASP A 5 1.282 30.855 -12.452 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.864 28.862 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.387 30.236 -13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.172 29.845 -14.442 1.00 0.00 H new ATOM 69 N CYS A 6 2.144 28.365 -11.810 1.00 0.00 N ATOM 70 CA CYS A 6 3.250 27.367 -11.808 1.00 0.00 C ATOM 71 C CYS A 6 4.007 27.476 -10.475 1.00 0.00 C ATOM 72 O CYS A 6 3.482 27.974 -9.499 1.00 0.00 O ATOM 73 CB CYS A 6 4.182 27.639 -13.008 1.00 0.00 C ATOM 74 SG CYS A 6 5.470 28.846 -12.577 1.00 0.00 S ATOM 0 H CYS A 6 2.334 29.219 -11.285 1.00 0.00 H new ATOM 0 HA CYS A 6 2.859 26.354 -11.906 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.646 26.707 -13.330 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.597 28.011 -13.849 1.00 0.00 H new ATOM 79 N SER A 7 5.230 27.023 -10.420 1.00 0.00 N ATOM 80 CA SER A 7 5.995 27.119 -9.147 1.00 0.00 C ATOM 81 C SER A 7 7.486 26.919 -9.429 1.00 0.00 C ATOM 82 O SER A 7 8.212 26.376 -8.619 1.00 0.00 O ATOM 83 CB SER A 7 5.510 26.038 -8.180 1.00 0.00 C ATOM 84 OG SER A 7 4.835 25.023 -8.911 1.00 0.00 O ATOM 0 H SER A 7 5.730 26.593 -11.198 1.00 0.00 H new ATOM 0 HA SER A 7 5.839 28.102 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.355 25.612 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.842 26.472 -7.436 1.00 0.00 H new ATOM 0 HG SER A 7 4.944 24.163 -8.453 1.00 0.00 H new ATOM 90 N SER A 8 7.951 27.352 -10.570 1.00 0.00 N ATOM 91 CA SER A 8 9.395 27.182 -10.897 1.00 0.00 C ATOM 92 C SER A 8 10.014 28.551 -11.211 1.00 0.00 C ATOM 93 O SER A 8 9.424 29.344 -11.918 1.00 0.00 O ATOM 94 CB SER A 8 9.536 26.268 -12.115 1.00 0.00 C ATOM 95 OG SER A 8 8.243 25.942 -12.610 1.00 0.00 O ATOM 0 H SER A 8 7.394 27.815 -11.288 1.00 0.00 H new ATOM 0 HA SER A 8 9.911 26.737 -10.046 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.121 26.764 -12.890 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.073 25.360 -11.842 1.00 0.00 H new ATOM 0 HG SER A 8 8.330 25.358 -13.392 1.00 0.00 H new ATOM 101 N PRO A 9 11.185 28.790 -10.672 1.00 0.00 N ATOM 102 CA PRO A 9 11.909 30.058 -10.876 1.00 0.00 C ATOM 103 C PRO A 9 12.609 30.062 -12.239 1.00 0.00 C ATOM 104 O PRO A 9 13.289 31.003 -12.596 1.00 0.00 O ATOM 105 CB PRO A 9 12.933 30.072 -9.739 1.00 0.00 C ATOM 106 CG PRO A 9 13.131 28.597 -9.312 1.00 0.00 C ATOM 107 CD PRO A 9 11.897 27.823 -9.812 1.00 0.00 C ATOM 0 HA PRO A 9 11.256 30.931 -10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.875 30.511 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.577 30.674 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.045 28.189 -9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.226 28.517 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.185 26.932 -10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.272 27.492 -8.983 1.00 0.00 H new ATOM 115 N GLU A 10 12.445 29.015 -13.002 1.00 0.00 N ATOM 116 CA GLU A 10 13.100 28.957 -14.340 1.00 0.00 C ATOM 117 C GLU A 10 12.178 28.235 -15.322 1.00 0.00 C ATOM 118 O GLU A 10 12.554 27.255 -15.935 1.00 0.00 O ATOM 119 CB GLU A 10 14.423 28.196 -14.230 1.00 0.00 C ATOM 120 CG GLU A 10 15.193 28.683 -13.003 1.00 0.00 C ATOM 121 CD GLU A 10 16.536 27.954 -12.921 1.00 0.00 C ATOM 122 OE1 GLU A 10 16.688 26.956 -13.605 1.00 0.00 O ATOM 123 OE2 GLU A 10 17.388 28.408 -12.176 1.00 0.00 O ATOM 0 H GLU A 10 11.886 28.198 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 10 13.294 29.969 -14.695 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.233 27.126 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.018 28.349 -15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.354 29.759 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.612 28.500 -12.099 1.00 0.00 H new ATOM 130 N ASN A 11 10.972 28.706 -15.475 1.00 0.00 N ATOM 131 CA ASN A 11 10.029 28.042 -16.413 1.00 0.00 C ATOM 132 C ASN A 11 9.615 29.031 -17.511 1.00 0.00 C ATOM 133 O ASN A 11 9.369 30.188 -17.234 1.00 0.00 O ATOM 134 CB ASN A 11 8.788 27.587 -15.643 1.00 0.00 C ATOM 135 CG ASN A 11 8.391 26.180 -16.090 1.00 0.00 C ATOM 136 OD1 ASN A 11 9.150 25.506 -16.758 1.00 0.00 O ATOM 137 ND2 ASN A 11 7.225 25.704 -15.747 1.00 0.00 N ATOM 0 H ASN A 11 10.600 29.523 -14.990 1.00 0.00 H new ATOM 0 HA ASN A 11 10.515 27.179 -16.868 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.990 27.595 -14.572 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.965 28.280 -15.818 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.951 24.766 -16.040 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.588 26.270 -15.186 1.00 0.00 H new ATOM 144 N PRO A 12 9.551 28.546 -18.726 1.00 0.00 N ATOM 145 CA PRO A 12 9.167 29.367 -19.888 1.00 0.00 C ATOM 146 C PRO A 12 7.646 29.537 -19.936 1.00 0.00 C ATOM 147 O PRO A 12 7.130 30.635 -19.900 1.00 0.00 O ATOM 148 CB PRO A 12 9.658 28.548 -21.084 1.00 0.00 C ATOM 149 CG PRO A 12 9.770 27.084 -20.594 1.00 0.00 C ATOM 150 CD PRO A 12 9.852 27.138 -19.056 1.00 0.00 C ATOM 0 HA PRO A 12 9.589 30.372 -19.863 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.963 28.626 -21.920 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.622 28.915 -21.436 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.907 26.501 -20.915 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.654 26.602 -21.012 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.135 26.459 -18.595 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.840 26.848 -18.699 1.00 0.00 H new ATOM 158 N CYS A 13 6.928 28.451 -20.016 1.00 0.00 N ATOM 159 CA CYS A 13 5.442 28.536 -20.066 1.00 0.00 C ATOM 160 C CYS A 13 4.940 29.421 -18.931 1.00 0.00 C ATOM 161 O CYS A 13 3.932 30.087 -19.059 1.00 0.00 O ATOM 162 CB CYS A 13 4.854 27.132 -19.933 1.00 0.00 C ATOM 163 SG CYS A 13 5.544 26.078 -21.234 1.00 0.00 S ATOM 0 H CYS A 13 7.308 27.505 -20.049 1.00 0.00 H new ATOM 0 HA CYS A 13 5.131 28.970 -21.016 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.085 26.718 -18.951 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.768 27.169 -20.015 1.00 0.00 H new ATOM 168 N CYS A 14 5.628 29.453 -17.821 1.00 0.00 N ATOM 169 CA CYS A 14 5.154 30.315 -16.709 1.00 0.00 C ATOM 170 C CYS A 14 6.184 31.411 -16.412 1.00 0.00 C ATOM 171 O CYS A 14 7.334 31.145 -16.122 1.00 0.00 O ATOM 172 CB CYS A 14 4.855 29.452 -15.467 1.00 0.00 C ATOM 173 SG CYS A 14 6.283 29.356 -14.355 1.00 0.00 S ATOM 0 H CYS A 14 6.483 28.928 -17.641 1.00 0.00 H new ATOM 0 HA CYS A 14 4.227 30.810 -17.000 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.004 29.870 -14.930 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.571 28.448 -15.782 1.00 0.00 H new ATOM 178 N ASP A 15 5.768 32.647 -16.494 1.00 0.00 N ATOM 179 CA ASP A 15 6.704 33.776 -16.229 1.00 0.00 C ATOM 180 C ASP A 15 6.844 33.975 -14.719 1.00 0.00 C ATOM 181 O ASP A 15 5.869 33.954 -13.988 1.00 0.00 O ATOM 182 CB ASP A 15 6.151 35.055 -16.860 1.00 0.00 C ATOM 183 CG ASP A 15 6.634 35.162 -18.308 1.00 0.00 C ATOM 184 OD1 ASP A 15 7.733 35.650 -18.510 1.00 0.00 O ATOM 185 OD2 ASP A 15 5.896 34.753 -19.189 1.00 0.00 O ATOM 0 H ASP A 15 4.816 32.923 -16.734 1.00 0.00 H new ATOM 0 HA ASP A 15 7.679 33.549 -16.660 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.061 35.046 -16.829 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.479 35.925 -16.291 1.00 0.00 H new ATOM 190 N ALA A 16 8.052 34.161 -14.251 1.00 0.00 N ATOM 191 CA ALA A 16 8.275 34.355 -12.788 1.00 0.00 C ATOM 192 C ALA A 16 7.884 35.778 -12.381 1.00 0.00 C ATOM 193 O ALA A 16 7.401 36.004 -11.289 1.00 0.00 O ATOM 194 CB ALA A 16 9.754 34.127 -12.467 1.00 0.00 C ATOM 0 H ALA A 16 8.896 34.187 -14.823 1.00 0.00 H new ATOM 0 HA ALA A 16 7.661 33.643 -12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.920 34.268 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.035 33.112 -12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.362 34.839 -13.026 1.00 0.00 H new ATOM 200 N ALA A 17 8.083 36.741 -13.240 1.00 0.00 N ATOM 201 CA ALA A 17 7.712 38.138 -12.874 1.00 0.00 C ATOM 202 C ALA A 17 6.288 38.130 -12.327 1.00 0.00 C ATOM 203 O ALA A 17 5.973 38.799 -11.363 1.00 0.00 O ATOM 204 CB ALA A 17 7.783 39.033 -14.112 1.00 0.00 C ATOM 0 H ALA A 17 8.483 36.623 -14.171 1.00 0.00 H new ATOM 0 HA ALA A 17 8.401 38.523 -12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.511 40.053 -13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.797 39.022 -14.511 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.091 38.663 -14.869 1.00 0.00 H new ATOM 210 N THR A 18 5.432 37.353 -12.927 1.00 0.00 N ATOM 211 CA THR A 18 4.030 37.263 -12.444 1.00 0.00 C ATOM 212 C THR A 18 3.783 35.844 -11.925 1.00 0.00 C ATOM 213 O THR A 18 2.754 35.551 -11.348 1.00 0.00 O ATOM 214 CB THR A 18 3.068 37.560 -13.599 1.00 0.00 C ATOM 215 OG1 THR A 18 3.008 36.434 -14.462 1.00 0.00 O ATOM 216 CG2 THR A 18 3.562 38.779 -14.380 1.00 0.00 C ATOM 0 H THR A 18 5.647 36.772 -13.738 1.00 0.00 H new ATOM 0 HA THR A 18 3.863 37.987 -11.647 1.00 0.00 H new ATOM 0 HB THR A 18 2.075 37.768 -13.201 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.392 36.621 -15.201 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.876 38.988 -15.201 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.607 39.642 -13.716 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.555 38.577 -14.780 1.00 0.00 H new ATOM 224 N CYS A 19 4.722 34.957 -12.136 1.00 0.00 N ATOM 225 CA CYS A 19 4.549 33.554 -11.669 1.00 0.00 C ATOM 226 C CYS A 19 3.383 32.912 -12.426 1.00 0.00 C ATOM 227 O CYS A 19 2.932 31.835 -12.098 1.00 0.00 O ATOM 228 CB CYS A 19 4.255 33.557 -10.166 1.00 0.00 C ATOM 229 SG CYS A 19 4.707 31.957 -9.445 1.00 0.00 S ATOM 0 H CYS A 19 5.603 35.148 -12.614 1.00 0.00 H new ATOM 0 HA CYS A 19 5.459 32.984 -11.857 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.814 34.356 -9.679 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.197 33.757 -9.994 1.00 0.00 H new ATOM 234 N LYS A 20 2.895 33.568 -13.446 1.00 0.00 N ATOM 235 CA LYS A 20 1.752 33.001 -14.222 1.00 0.00 C ATOM 236 C LYS A 20 2.258 32.454 -15.555 1.00 0.00 C ATOM 237 O LYS A 20 3.438 32.225 -15.729 1.00 0.00 O ATOM 238 CB LYS A 20 0.711 34.094 -14.472 1.00 0.00 C ATOM 239 CG LYS A 20 -0.613 33.703 -13.812 1.00 0.00 C ATOM 240 CD LYS A 20 -1.586 33.197 -14.878 1.00 0.00 C ATOM 241 CE LYS A 20 -3.024 33.404 -14.398 1.00 0.00 C ATOM 242 NZ LYS A 20 -3.232 32.663 -13.121 1.00 0.00 N ATOM 0 H LYS A 20 3.238 34.471 -13.775 1.00 0.00 H new ATOM 0 HA LYS A 20 1.294 32.191 -13.654 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.063 35.044 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.567 34.235 -15.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.443 32.929 -13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.040 34.561 -13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.424 33.730 -15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.407 32.140 -15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.221 34.466 -14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.726 33.052 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.152 32.179 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.475 31.960 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.214 33.332 -12.325 1.00 0.00 H new ATOM 256 N LEU A 21 1.381 32.226 -16.499 1.00 0.00 N ATOM 257 CA LEU A 21 1.846 31.676 -17.802 1.00 0.00 C ATOM 258 C LEU A 21 1.528 32.579 -18.950 1.00 0.00 C ATOM 259 O LEU A 21 0.789 33.540 -18.863 1.00 0.00 O ATOM 260 CB LEU A 21 1.127 30.381 -18.155 1.00 0.00 C ATOM 261 CG LEU A 21 1.852 29.176 -17.561 1.00 0.00 C ATOM 262 CD1 LEU A 21 1.188 28.785 -16.247 1.00 0.00 C ATOM 263 CD2 LEU A 21 1.763 28.000 -18.527 1.00 0.00 C ATOM 0 H LEU A 21 0.378 32.395 -16.424 1.00 0.00 H new ATOM 0 HA LEU A 21 2.920 31.544 -17.668 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.104 30.415 -17.781 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.068 30.277 -19.238 1.00 0.00 H new ATOM 0 HG LEU A 21 2.897 29.433 -17.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.704 27.925 -15.821 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.240 29.621 -15.550 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.144 28.529 -16.429 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.281 27.140 -18.102 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.716 27.746 -18.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.228 28.272 -19.475 1.00 0.00 H new ATOM 275 N ARG A 22 2.027 32.167 -20.062 1.00 0.00 N ATOM 276 CA ARG A 22 1.729 32.848 -21.315 1.00 0.00 C ATOM 277 C ARG A 22 0.690 31.958 -22.006 1.00 0.00 C ATOM 278 O ARG A 22 0.916 30.775 -22.154 1.00 0.00 O ATOM 279 CB ARG A 22 2.993 32.945 -22.172 1.00 0.00 C ATOM 280 CG ARG A 22 3.877 34.082 -21.657 1.00 0.00 C ATOM 281 CD ARG A 22 5.340 33.768 -21.972 1.00 0.00 C ATOM 282 NE ARG A 22 5.868 34.778 -22.934 1.00 0.00 N ATOM 283 CZ ARG A 22 7.059 34.630 -23.446 1.00 0.00 C ATOM 284 NH1 ARG A 22 7.330 33.586 -24.181 1.00 0.00 N ATOM 285 NH2 ARG A 22 7.980 35.527 -23.221 1.00 0.00 N ATOM 0 H ARG A 22 2.647 31.362 -20.151 1.00 0.00 H new ATOM 0 HA ARG A 22 1.365 33.864 -21.159 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.540 32.003 -22.139 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.725 33.122 -23.214 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.587 35.023 -22.123 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.743 34.204 -20.582 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.931 33.778 -21.056 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.426 32.767 -22.395 1.00 0.00 H new ATOM 0 HE ARG A 22 5.298 35.584 -23.192 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.610 32.885 -24.356 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.261 33.472 -24.581 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.768 36.342 -22.646 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.912 35.413 -23.620 1.00 0.00 H new ATOM 299 N PRO A 23 -0.409 32.538 -22.394 1.00 0.00 N ATOM 300 CA PRO A 23 -1.508 31.819 -23.067 1.00 0.00 C ATOM 301 C PRO A 23 -1.011 31.104 -24.324 1.00 0.00 C ATOM 302 O PRO A 23 -1.367 31.429 -25.440 1.00 0.00 O ATOM 303 CB PRO A 23 -2.533 32.928 -23.357 1.00 0.00 C ATOM 304 CG PRO A 23 -1.743 34.253 -23.268 1.00 0.00 C ATOM 305 CD PRO A 23 -0.642 33.967 -22.232 1.00 0.00 C ATOM 0 HA PRO A 23 -1.943 31.019 -22.468 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.979 32.802 -24.344 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.348 32.908 -22.634 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.319 34.530 -24.233 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.382 35.077 -22.952 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.259 34.548 -22.428 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.965 34.212 -21.220 1.00 0.00 H new ATOM 313 N GLY A 24 -0.194 30.109 -24.116 1.00 0.00 N ATOM 314 CA GLY A 24 0.356 29.301 -25.235 1.00 0.00 C ATOM 315 C GLY A 24 0.215 27.822 -24.862 1.00 0.00 C ATOM 316 O GLY A 24 -0.219 27.010 -25.655 1.00 0.00 O ATOM 0 H GLY A 24 0.122 29.817 -23.191 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.181 29.514 -26.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.402 29.553 -25.409 1.00 0.00 H new ATOM 320 N ALA A 25 0.559 27.468 -23.644 1.00 0.00 N ATOM 321 CA ALA A 25 0.423 26.050 -23.214 1.00 0.00 C ATOM 322 C ALA A 25 -0.851 25.921 -22.367 1.00 0.00 C ATOM 323 O ALA A 25 -1.913 26.348 -22.774 1.00 0.00 O ATOM 324 CB ALA A 25 1.650 25.651 -22.391 1.00 0.00 C ATOM 0 H ALA A 25 0.927 28.103 -22.935 1.00 0.00 H new ATOM 0 HA ALA A 25 0.354 25.392 -24.080 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.554 24.612 -22.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.548 25.763 -22.999 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.724 26.293 -21.513 1.00 0.00 H new ATOM 330 N GLN A 26 -0.765 25.353 -21.193 1.00 0.00 N ATOM 331 CA GLN A 26 -1.982 25.225 -20.344 1.00 0.00 C ATOM 332 C GLN A 26 -1.608 25.499 -18.887 1.00 0.00 C ATOM 333 O GLN A 26 -2.333 26.146 -18.159 1.00 0.00 O ATOM 334 CB GLN A 26 -2.550 23.811 -20.471 1.00 0.00 C ATOM 335 CG GLN A 26 -3.980 23.881 -21.006 1.00 0.00 C ATOM 336 CD GLN A 26 -4.189 22.785 -22.051 1.00 0.00 C ATOM 337 OE1 GLN A 26 -3.938 23.040 -23.306 1.00 0.00 O flip ATOM 338 NE2 GLN A 26 -4.585 21.683 -21.723 1.00 0.00 N flip ATOM 0 H GLN A 26 0.091 24.974 -20.788 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.734 25.943 -20.671 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.929 23.217 -21.141 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.537 23.314 -19.501 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.691 23.759 -20.189 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.166 24.860 -21.448 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.781 21.483 -20.742 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.721 20.959 -22.429 1.00 0.00 H new ATOM 347 N CYS A 27 -0.475 25.013 -18.462 1.00 0.00 N ATOM 348 CA CYS A 27 -0.041 25.243 -17.057 1.00 0.00 C ATOM 349 C CYS A 27 1.490 25.351 -17.022 1.00 0.00 C ATOM 350 O CYS A 27 2.164 25.052 -17.986 1.00 0.00 O ATOM 351 CB CYS A 27 -0.565 24.083 -16.173 1.00 0.00 C ATOM 352 SG CYS A 27 0.783 23.151 -15.383 1.00 0.00 S ATOM 0 H CYS A 27 0.171 24.465 -19.030 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.452 26.173 -16.665 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.225 24.485 -15.404 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.162 23.406 -16.783 1.00 0.00 H new ATOM 357 N GLY A 28 2.037 25.767 -15.915 1.00 0.00 N ATOM 358 CA GLY A 28 3.519 25.885 -15.816 1.00 0.00 C ATOM 359 C GLY A 28 4.054 24.733 -14.965 1.00 0.00 C ATOM 360 O GLY A 28 5.085 24.160 -15.253 1.00 0.00 O ATOM 0 H GLY A 28 1.523 26.030 -15.074 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.966 25.858 -16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.792 26.841 -15.369 1.00 0.00 H new ATOM 364 N GLU A 29 3.354 24.389 -13.920 1.00 0.00 N ATOM 365 CA GLU A 29 3.811 23.272 -13.048 1.00 0.00 C ATOM 366 C GLU A 29 2.594 22.471 -12.580 1.00 0.00 C ATOM 367 O GLU A 29 1.491 22.978 -12.526 1.00 0.00 O ATOM 368 CB GLU A 29 4.549 23.840 -11.834 1.00 0.00 C ATOM 369 CG GLU A 29 5.456 22.763 -11.237 1.00 0.00 C ATOM 370 CD GLU A 29 4.635 21.861 -10.314 1.00 0.00 C ATOM 371 OE1 GLU A 29 3.972 22.390 -9.437 1.00 0.00 O ATOM 372 OE2 GLU A 29 4.685 20.656 -10.498 1.00 0.00 O ATOM 0 H GLU A 29 2.483 24.835 -13.632 1.00 0.00 H new ATOM 0 HA GLU A 29 4.485 22.622 -13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.141 24.707 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.833 24.182 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.909 22.172 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.271 23.226 -10.680 1.00 0.00 H new ATOM 379 N GLY A 30 2.781 21.226 -12.241 1.00 0.00 N ATOM 380 CA GLY A 30 1.628 20.403 -11.778 1.00 0.00 C ATOM 381 C GLY A 30 1.955 18.919 -11.950 1.00 0.00 C ATOM 382 O GLY A 30 2.667 18.530 -12.854 1.00 0.00 O ATOM 0 H GLY A 30 3.679 20.743 -12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.411 20.619 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.734 20.657 -12.348 1.00 0.00 H new ATOM 386 N LEU A 31 1.437 18.087 -11.089 1.00 0.00 N ATOM 387 CA LEU A 31 1.718 16.628 -11.203 1.00 0.00 C ATOM 388 C LEU A 31 1.091 16.085 -12.488 1.00 0.00 C ATOM 389 O LEU A 31 1.330 14.959 -12.879 1.00 0.00 O ATOM 390 CB LEU A 31 1.121 15.899 -9.996 1.00 0.00 C ATOM 391 CG LEU A 31 1.711 16.474 -8.708 1.00 0.00 C ATOM 392 CD1 LEU A 31 0.711 16.300 -7.564 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.007 15.734 -8.369 1.00 0.00 C ATOM 0 H LEU A 31 0.832 18.354 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 31 2.796 16.467 -11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.037 16.008 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.334 14.832 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 31 1.921 17.535 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.133 16.710 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.213 16.826 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.499 15.240 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.430 16.142 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.795 14.674 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.721 15.858 -9.183 1.00 0.00 H new ATOM 405 N CYS A 32 0.290 16.875 -13.150 1.00 0.00 N ATOM 406 CA CYS A 32 -0.349 16.399 -14.409 1.00 0.00 C ATOM 407 C CYS A 32 -0.113 17.419 -15.524 1.00 0.00 C ATOM 408 O CYS A 32 -0.977 17.677 -16.337 1.00 0.00 O ATOM 409 CB CYS A 32 -1.853 16.228 -14.182 1.00 0.00 C ATOM 410 SG CYS A 32 -2.136 15.527 -12.538 1.00 0.00 S ATOM 0 H CYS A 32 0.051 17.827 -12.874 1.00 0.00 H new ATOM 0 HA CYS A 32 0.088 15.443 -14.698 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.357 17.190 -14.271 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.275 15.575 -14.946 1.00 0.00 H new ATOM 415 N CYS A 33 1.055 18.000 -15.570 1.00 0.00 N ATOM 416 CA CYS A 33 1.348 19.000 -16.635 1.00 0.00 C ATOM 417 C CYS A 33 2.521 18.507 -17.483 1.00 0.00 C ATOM 418 O CYS A 33 3.670 18.637 -17.107 1.00 0.00 O ATOM 419 CB CYS A 33 1.711 20.340 -15.992 1.00 0.00 C ATOM 420 SG CYS A 33 0.200 21.222 -15.534 1.00 0.00 S ATOM 0 H CYS A 33 1.818 17.825 -14.916 1.00 0.00 H new ATOM 0 HA CYS A 33 0.469 19.128 -17.267 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.330 20.176 -15.110 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.299 20.941 -16.686 1.00 0.00 H new ATOM 425 N GLU A 34 2.243 17.944 -18.626 1.00 0.00 N ATOM 426 CA GLU A 34 3.341 17.445 -19.500 1.00 0.00 C ATOM 427 C GLU A 34 3.569 18.443 -20.634 1.00 0.00 C ATOM 428 O GLU A 34 2.687 18.706 -21.428 1.00 0.00 O ATOM 429 CB GLU A 34 2.952 16.086 -20.084 1.00 0.00 C ATOM 430 CG GLU A 34 2.710 15.091 -18.947 1.00 0.00 C ATOM 431 CD GLU A 34 3.978 14.269 -18.711 1.00 0.00 C ATOM 432 OE1 GLU A 34 4.537 13.786 -19.681 1.00 0.00 O ATOM 433 OE2 GLU A 34 4.367 14.135 -17.562 1.00 0.00 O ATOM 0 H GLU A 34 1.301 17.808 -18.993 1.00 0.00 H new ATOM 0 HA GLU A 34 4.255 17.337 -18.917 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.053 16.184 -20.693 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.743 15.720 -20.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.434 15.623 -18.037 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.878 14.433 -19.196 1.00 0.00 H new ATOM 440 N GLN A 35 4.740 19.009 -20.712 1.00 0.00 N ATOM 441 CA GLN A 35 5.013 19.997 -21.791 1.00 0.00 C ATOM 442 C GLN A 35 4.107 21.212 -21.591 1.00 0.00 C ATOM 443 O GLN A 35 3.647 21.818 -22.537 1.00 0.00 O ATOM 444 CB GLN A 35 4.725 19.363 -23.154 1.00 0.00 C ATOM 445 CG GLN A 35 6.020 19.282 -23.964 1.00 0.00 C ATOM 446 CD GLN A 35 6.281 20.625 -24.649 1.00 0.00 C ATOM 447 OE1 GLN A 35 5.370 21.251 -25.153 1.00 0.00 O ATOM 448 NE2 GLN A 35 7.497 21.097 -24.688 1.00 0.00 N ATOM 0 H GLN A 35 5.518 18.831 -20.077 1.00 0.00 H new ATOM 0 HA GLN A 35 6.058 20.304 -21.753 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.304 18.366 -23.021 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.984 19.954 -23.692 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.854 19.027 -23.311 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.946 18.490 -24.709 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.262 20.571 -24.265 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.683 21.992 -25.142 1.00 0.00 H new ATOM 457 N CYS A 36 3.845 21.563 -20.358 1.00 0.00 N ATOM 458 CA CYS A 36 2.964 22.733 -20.077 1.00 0.00 C ATOM 459 C CYS A 36 1.520 22.396 -20.459 1.00 0.00 C ATOM 460 O CYS A 36 0.636 23.226 -20.379 1.00 0.00 O ATOM 461 CB CYS A 36 3.442 23.942 -20.880 1.00 0.00 C ATOM 462 SG CYS A 36 5.208 24.198 -20.583 1.00 0.00 S ATOM 0 H CYS A 36 4.206 21.087 -19.531 1.00 0.00 H new ATOM 0 HA CYS A 36 3.008 22.969 -19.014 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.260 23.782 -21.943 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.880 24.830 -20.590 1.00 0.00 H new ATOM 467 N LYS A 37 1.271 21.181 -20.866 1.00 0.00 N ATOM 468 CA LYS A 37 -0.114 20.786 -21.244 1.00 0.00 C ATOM 469 C LYS A 37 -0.667 19.829 -20.186 1.00 0.00 C ATOM 470 O LYS A 37 0.072 19.236 -19.427 1.00 0.00 O ATOM 471 CB LYS A 37 -0.093 20.090 -22.606 1.00 0.00 C ATOM 472 CG LYS A 37 -0.049 21.144 -23.716 1.00 0.00 C ATOM 473 CD LYS A 37 1.127 20.855 -24.650 1.00 0.00 C ATOM 474 CE LYS A 37 0.611 20.676 -26.079 1.00 0.00 C ATOM 475 NZ LYS A 37 1.605 21.233 -27.039 1.00 0.00 N ATOM 0 H LYS A 37 1.970 20.443 -20.953 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.747 21.672 -21.304 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.774 19.434 -22.678 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.977 19.463 -22.720 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.983 21.135 -24.277 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.053 22.139 -23.283 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.846 21.674 -24.611 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.650 19.956 -24.326 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.442 19.619 -26.286 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.347 21.182 -26.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.255 21.112 -28.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.745 22.245 -26.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.510 20.732 -26.932 1.00 0.00 H new ATOM 489 N PHE A 38 -1.961 19.674 -20.127 1.00 0.00 N ATOM 490 CA PHE A 38 -2.552 18.755 -19.111 1.00 0.00 C ATOM 491 C PHE A 38 -2.204 17.308 -19.461 1.00 0.00 C ATOM 492 O PHE A 38 -2.365 16.875 -20.585 1.00 0.00 O ATOM 493 CB PHE A 38 -4.073 18.911 -19.099 1.00 0.00 C ATOM 494 CG PHE A 38 -4.439 20.304 -18.649 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.709 20.926 -17.628 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.511 20.973 -19.251 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.053 22.217 -17.210 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.855 22.263 -18.832 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.125 22.886 -17.813 1.00 0.00 C ATOM 0 H PHE A 38 -2.633 20.141 -20.735 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.148 19.004 -18.130 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.475 18.723 -20.094 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.518 18.174 -18.431 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.882 20.410 -17.164 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.073 20.493 -20.039 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.491 22.697 -16.422 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.684 22.778 -19.295 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.389 23.883 -17.492 1.00 0.00 H new ATOM 509 N SER A 39 -1.742 16.552 -18.504 1.00 0.00 N ATOM 510 CA SER A 39 -1.402 15.131 -18.783 1.00 0.00 C ATOM 511 C SER A 39 -2.689 14.372 -19.104 1.00 0.00 C ATOM 512 O SER A 39 -3.714 14.588 -18.490 1.00 0.00 O ATOM 513 CB SER A 39 -0.733 14.513 -17.556 1.00 0.00 C ATOM 514 OG SER A 39 0.266 15.398 -17.069 1.00 0.00 O ATOM 0 H SER A 39 -1.586 16.857 -17.543 1.00 0.00 H new ATOM 0 HA SER A 39 -0.716 15.072 -19.628 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.475 14.322 -16.781 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.289 13.552 -17.815 1.00 0.00 H new ATOM 0 HG SER A 39 0.966 14.883 -16.615 1.00 0.00 H new ATOM 520 N ARG A 40 -2.649 13.490 -20.062 1.00 0.00 N ATOM 521 CA ARG A 40 -3.875 12.723 -20.423 1.00 0.00 C ATOM 522 C ARG A 40 -4.577 12.256 -19.148 1.00 0.00 C ATOM 523 O ARG A 40 -4.021 12.300 -18.068 1.00 0.00 O ATOM 524 CB ARG A 40 -3.486 11.509 -21.268 1.00 0.00 C ATOM 525 CG ARG A 40 -2.488 10.647 -20.494 1.00 0.00 C ATOM 526 CD ARG A 40 -1.143 10.645 -21.224 1.00 0.00 C ATOM 527 NE ARG A 40 -0.472 9.329 -21.025 1.00 0.00 N ATOM 528 CZ ARG A 40 0.803 9.207 -21.267 1.00 0.00 C ATOM 529 NH1 ARG A 40 1.278 9.515 -22.442 1.00 0.00 N ATOM 530 NH2 ARG A 40 1.604 8.775 -20.332 1.00 0.00 N ATOM 0 H ARG A 40 -1.820 13.266 -20.612 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.549 13.361 -20.995 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.373 10.925 -21.514 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.047 11.835 -22.211 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.364 11.034 -19.483 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.865 9.629 -20.402 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.294 10.831 -22.287 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.511 11.449 -20.846 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.010 8.525 -20.700 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.652 9.852 -23.173 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.276 9.419 -22.630 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.232 8.533 -19.413 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.602 8.679 -20.520 1.00 0.00 H new ATOM 544 N ALA A 41 -5.798 11.809 -19.263 1.00 0.00 N ATOM 545 CA ALA A 41 -6.534 11.341 -18.055 1.00 0.00 C ATOM 546 C ALA A 41 -5.964 9.999 -17.599 1.00 0.00 C ATOM 547 O ALA A 41 -5.465 9.223 -18.390 1.00 0.00 O ATOM 548 CB ALA A 41 -8.018 11.179 -18.393 1.00 0.00 C ATOM 0 H ALA A 41 -6.316 11.748 -20.139 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.422 12.073 -17.255 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.557 10.837 -17.510 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.424 12.137 -18.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.131 10.448 -19.193 1.00 0.00 H new ATOM 554 N GLY A 42 -6.031 9.719 -16.327 1.00 0.00 N ATOM 555 CA GLY A 42 -5.491 8.429 -15.819 1.00 0.00 C ATOM 556 C GLY A 42 -4.001 8.588 -15.516 1.00 0.00 C ATOM 557 O GLY A 42 -3.296 7.622 -15.299 1.00 0.00 O ATOM 0 H GLY A 42 -6.437 10.329 -15.617 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.026 8.127 -14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.641 7.642 -16.558 1.00 0.00 H new ATOM 561 N LYS A 43 -3.513 9.799 -15.498 1.00 0.00 N ATOM 562 CA LYS A 43 -2.064 10.007 -15.208 1.00 0.00 C ATOM 563 C LYS A 43 -1.811 9.803 -13.711 1.00 0.00 C ATOM 564 O LYS A 43 -2.300 10.545 -12.882 1.00 0.00 O ATOM 565 CB LYS A 43 -1.662 11.427 -15.611 1.00 0.00 C ATOM 566 CG LYS A 43 -0.293 11.763 -15.018 1.00 0.00 C ATOM 567 CD LYS A 43 0.719 10.690 -15.424 1.00 0.00 C ATOM 568 CE LYS A 43 2.024 10.906 -14.657 1.00 0.00 C ATOM 569 NZ LYS A 43 2.429 12.336 -14.758 1.00 0.00 N ATOM 0 H LYS A 43 -4.050 10.649 -15.670 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.470 9.290 -15.776 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.629 11.512 -16.697 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.407 12.140 -15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.037 12.740 -15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.360 11.821 -13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.319 9.698 -15.211 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.903 10.736 -16.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.894 10.627 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.807 10.266 -15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.453 12.419 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.197 12.696 -15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.920 12.892 -14.042 1.00 0.00 H new ATOM 583 N ILE A 44 -1.053 8.799 -13.360 1.00 0.00 N ATOM 584 CA ILE A 44 -0.771 8.540 -11.919 1.00 0.00 C ATOM 585 C ILE A 44 -0.065 9.754 -11.308 1.00 0.00 C ATOM 586 O ILE A 44 1.007 10.140 -11.732 1.00 0.00 O ATOM 587 CB ILE A 44 0.133 7.311 -11.795 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.673 6.046 -12.122 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.692 7.220 -10.371 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.521 5.634 -10.914 1.00 0.00 C ATOM 0 H ILE A 44 -0.616 8.146 -14.011 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.708 8.362 -11.391 1.00 0.00 H new ATOM 0 HB ILE A 44 0.962 7.400 -12.497 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.317 6.228 -12.983 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.003 5.235 -12.395 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.335 6.344 -10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.271 8.117 -10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.131 7.135 -9.662 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.088 4.736 -11.157 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.869 5.432 -10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.209 6.440 -10.661 1.00 0.00 H new ATOM 602 N CYS A 45 -0.656 10.357 -10.313 1.00 0.00 N ATOM 603 CA CYS A 45 -0.020 11.543 -9.673 1.00 0.00 C ATOM 604 C CYS A 45 0.397 11.192 -8.241 1.00 0.00 C ATOM 605 O CYS A 45 1.231 11.849 -7.651 1.00 0.00 O ATOM 606 CB CYS A 45 -1.014 12.706 -9.645 1.00 0.00 C ATOM 607 SG CYS A 45 -2.644 12.103 -9.138 1.00 0.00 S ATOM 0 H CYS A 45 -1.553 10.079 -9.915 1.00 0.00 H new ATOM 0 HA CYS A 45 0.861 11.833 -10.246 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.669 13.475 -8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.077 13.167 -10.631 1.00 0.00 H new ATOM 612 N ARG A 46 -0.176 10.163 -7.678 1.00 0.00 N ATOM 613 CA ARG A 46 0.190 9.775 -6.285 1.00 0.00 C ATOM 614 C ARG A 46 -0.198 8.317 -6.041 1.00 0.00 C ATOM 615 O ARG A 46 -1.306 7.902 -6.319 1.00 0.00 O ATOM 616 CB ARG A 46 -0.551 10.674 -5.293 1.00 0.00 C ATOM 617 CG ARG A 46 0.400 11.084 -4.167 1.00 0.00 C ATOM 618 CD ARG A 46 -0.411 11.497 -2.939 1.00 0.00 C ATOM 619 NE ARG A 46 0.107 12.792 -2.416 1.00 0.00 N ATOM 620 CZ ARG A 46 -0.434 13.333 -1.359 1.00 0.00 C ATOM 621 NH1 ARG A 46 -0.959 12.575 -0.435 1.00 0.00 N ATOM 622 NH2 ARG A 46 -0.454 14.631 -1.226 1.00 0.00 N ATOM 0 H ARG A 46 -0.881 9.574 -8.122 1.00 0.00 H new ATOM 0 HA ARG A 46 1.265 9.891 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.932 11.559 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.413 10.148 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.062 10.255 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.032 11.910 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.465 11.593 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.343 10.728 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 46 0.885 13.256 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.946 11.560 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.382 12.997 0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.046 15.224 -1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.877 15.052 -0.399 1.00 0.00 H new ATOM 636 N ILE A 47 0.709 7.536 -5.523 1.00 0.00 N ATOM 637 CA ILE A 47 0.399 6.104 -5.258 1.00 0.00 C ATOM 638 C ILE A 47 1.021 5.695 -3.914 1.00 0.00 C ATOM 639 O ILE A 47 2.228 5.634 -3.790 1.00 0.00 O ATOM 640 CB ILE A 47 0.985 5.250 -6.388 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.505 3.799 -6.248 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.512 5.295 -6.328 1.00 0.00 C ATOM 643 CD1 ILE A 47 1.151 3.144 -5.023 1.00 0.00 C ATOM 0 H ILE A 47 1.653 7.829 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.680 5.954 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 47 0.650 5.646 -7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.581 3.775 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.758 3.236 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.926 4.687 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.850 6.325 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.850 4.905 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.803 2.115 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.235 3.152 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.876 3.699 -4.126 1.00 0.00 H new ATOM 755 N ASP A 54 -4.828 4.035 -6.760 1.00 0.00 N ATOM 756 CA ASP A 54 -3.753 5.044 -6.985 1.00 0.00 C ATOM 757 C ASP A 54 -4.379 6.387 -7.360 1.00 0.00 C ATOM 758 O ASP A 54 -5.521 6.461 -7.768 1.00 0.00 O ATOM 759 CB ASP A 54 -2.847 4.571 -8.123 1.00 0.00 C ATOM 760 CG ASP A 54 -2.454 3.111 -7.891 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.374 2.716 -6.739 1.00 0.00 O ATOM 762 OD2 ASP A 54 -2.239 2.413 -8.868 1.00 0.00 O ATOM 0 HA ASP A 54 -3.168 5.161 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.362 4.672 -9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.955 5.195 -8.175 1.00 0.00 H new ATOM 767 N ASP A 55 -3.636 7.451 -7.227 1.00 0.00 N ATOM 768 CA ASP A 55 -4.180 8.791 -7.577 1.00 0.00 C ATOM 769 C ASP A 55 -3.819 9.116 -9.028 1.00 0.00 C ATOM 770 O ASP A 55 -2.672 9.341 -9.355 1.00 0.00 O ATOM 771 CB ASP A 55 -3.564 9.843 -6.651 1.00 0.00 C ATOM 772 CG ASP A 55 -4.675 10.660 -5.986 1.00 0.00 C ATOM 773 OD1 ASP A 55 -5.824 10.468 -6.348 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.358 11.464 -5.125 1.00 0.00 O ATOM 0 H ASP A 55 -2.673 7.449 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.264 8.792 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.951 9.358 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.906 10.501 -7.219 1.00 0.00 H new ATOM 779 N ARG A 56 -4.788 9.138 -9.903 1.00 0.00 N ATOM 780 CA ARG A 56 -4.489 9.443 -11.331 1.00 0.00 C ATOM 781 C ARG A 56 -5.107 10.790 -11.709 1.00 0.00 C ATOM 782 O ARG A 56 -6.091 11.215 -11.138 1.00 0.00 O ATOM 783 CB ARG A 56 -5.079 8.346 -12.219 1.00 0.00 C ATOM 784 CG ARG A 56 -4.676 6.974 -11.675 1.00 0.00 C ATOM 785 CD ARG A 56 -4.583 5.974 -12.830 1.00 0.00 C ATOM 786 NE ARG A 56 -5.930 5.391 -13.094 1.00 0.00 N ATOM 787 CZ ARG A 56 -6.661 5.854 -14.071 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.388 5.523 -15.304 1.00 0.00 N ATOM 789 NH2 ARG A 56 -7.665 6.649 -13.816 1.00 0.00 N ATOM 0 H ARG A 56 -5.770 8.959 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.409 9.488 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.165 8.432 -12.248 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.723 8.462 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.717 7.042 -11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.407 6.632 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.208 6.470 -13.725 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.875 5.183 -12.584 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.280 4.631 -12.511 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.603 4.903 -15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.959 5.885 -16.068 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.878 6.908 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.236 7.011 -14.580 1.00 0.00 H new ATOM 803 N CYS A 57 -4.539 11.464 -12.672 1.00 0.00 N ATOM 804 CA CYS A 57 -5.100 12.781 -13.087 1.00 0.00 C ATOM 805 C CYS A 57 -6.303 12.551 -14.001 1.00 0.00 C ATOM 806 O CYS A 57 -6.300 11.665 -14.836 1.00 0.00 O ATOM 807 CB CYS A 57 -4.036 13.579 -13.840 1.00 0.00 C ATOM 808 SG CYS A 57 -2.494 13.572 -12.894 1.00 0.00 S ATOM 0 H CYS A 57 -3.713 11.161 -13.188 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.411 13.338 -12.203 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.872 13.146 -14.827 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.376 14.603 -13.994 1.00 0.00 H new ATOM 813 N THR A 58 -7.330 13.345 -13.846 1.00 0.00 N ATOM 814 CA THR A 58 -8.546 13.183 -14.692 1.00 0.00 C ATOM 815 C THR A 58 -8.223 13.519 -16.151 1.00 0.00 C ATOM 816 O THR A 58 -9.041 13.340 -17.031 1.00 0.00 O ATOM 817 CB THR A 58 -9.646 14.121 -14.187 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.322 15.460 -14.535 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.763 14.002 -12.666 1.00 0.00 C ATOM 0 H THR A 58 -7.377 14.103 -13.165 1.00 0.00 H new ATOM 0 HA THR A 58 -8.885 12.149 -14.631 1.00 0.00 H new ATOM 0 HB THR A 58 -10.596 13.846 -14.645 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.026 16.061 -14.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.546 14.670 -12.308 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.012 12.975 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.814 14.276 -12.206 1.00 0.00 H new ATOM 827 N GLY A 59 -7.043 14.006 -16.416 1.00 0.00 N ATOM 828 CA GLY A 59 -6.686 14.350 -17.820 1.00 0.00 C ATOM 829 C GLY A 59 -6.839 15.857 -18.026 1.00 0.00 C ATOM 830 O GLY A 59 -6.017 16.497 -18.650 1.00 0.00 O ATOM 0 H GLY A 59 -6.314 14.180 -15.725 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.661 14.045 -18.032 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.330 13.809 -18.514 1.00 0.00 H new ATOM 834 N GLN A 60 -7.889 16.429 -17.502 1.00 0.00 N ATOM 835 CA GLN A 60 -8.097 17.893 -17.664 1.00 0.00 C ATOM 836 C GLN A 60 -7.476 18.629 -16.474 1.00 0.00 C ATOM 837 O GLN A 60 -7.224 19.815 -16.530 1.00 0.00 O ATOM 838 CB GLN A 60 -9.597 18.194 -17.722 1.00 0.00 C ATOM 839 CG GLN A 60 -10.261 17.287 -18.759 1.00 0.00 C ATOM 840 CD GLN A 60 -10.627 18.107 -19.998 1.00 0.00 C ATOM 841 OE1 GLN A 60 -9.958 19.069 -20.322 1.00 0.00 O ATOM 842 NE2 GLN A 60 -11.667 17.766 -20.707 1.00 0.00 N ATOM 0 H GLN A 60 -8.611 15.944 -16.969 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.624 18.227 -18.588 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.048 18.035 -16.743 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.759 19.240 -17.982 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.586 16.476 -19.033 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.155 16.828 -18.337 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.228 16.959 -20.434 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.920 18.307 -21.534 1.00 0.00 H new ATOM 851 N SER A 61 -7.231 17.934 -15.394 1.00 0.00 N ATOM 852 CA SER A 61 -6.629 18.603 -14.204 1.00 0.00 C ATOM 853 C SER A 61 -5.112 18.713 -14.387 1.00 0.00 C ATOM 854 O SER A 61 -4.455 17.772 -14.786 1.00 0.00 O ATOM 855 CB SER A 61 -6.934 17.781 -12.950 1.00 0.00 C ATOM 856 OG SER A 61 -8.300 17.952 -12.599 1.00 0.00 O ATOM 0 H SER A 61 -7.421 16.938 -15.285 1.00 0.00 H new ATOM 0 HA SER A 61 -7.052 19.602 -14.097 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.722 16.727 -13.131 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.293 18.098 -12.128 1.00 0.00 H new ATOM 0 HG SER A 61 -8.847 17.301 -13.086 1.00 0.00 H new ATOM 862 N ALA A 62 -4.549 19.857 -14.093 1.00 0.00 N ATOM 863 CA ALA A 62 -3.075 20.024 -14.247 1.00 0.00 C ATOM 864 C ALA A 62 -2.369 19.432 -13.026 1.00 0.00 C ATOM 865 O ALA A 62 -1.404 18.704 -13.147 1.00 0.00 O ATOM 866 CB ALA A 62 -2.733 21.512 -14.359 1.00 0.00 C ATOM 0 H ALA A 62 -5.046 20.680 -13.754 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.745 19.509 -15.149 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.655 21.630 -14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.237 21.937 -15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.063 22.030 -13.458 1.00 0.00 H new ATOM 872 N ASP A 63 -2.846 19.735 -11.849 1.00 0.00 N ATOM 873 CA ASP A 63 -2.206 19.185 -10.622 1.00 0.00 C ATOM 874 C ASP A 63 -3.017 17.987 -10.126 1.00 0.00 C ATOM 875 O ASP A 63 -4.012 17.614 -10.714 1.00 0.00 O ATOM 876 CB ASP A 63 -2.170 20.265 -9.538 1.00 0.00 C ATOM 877 CG ASP A 63 -1.902 21.626 -10.181 1.00 0.00 C ATOM 878 OD1 ASP A 63 -1.146 21.670 -11.138 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.459 22.603 -9.706 1.00 0.00 O ATOM 0 H ASP A 63 -3.651 20.340 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.188 18.868 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.117 20.286 -8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.393 20.037 -8.808 1.00 0.00 H new ATOM 884 N CYS A 64 -2.602 17.379 -9.048 1.00 0.00 N ATOM 885 CA CYS A 64 -3.354 16.205 -8.520 1.00 0.00 C ATOM 886 C CYS A 64 -3.970 16.558 -7.169 1.00 0.00 C ATOM 887 O CYS A 64 -3.271 16.917 -6.242 1.00 0.00 O ATOM 888 CB CYS A 64 -2.401 15.019 -8.360 1.00 0.00 C ATOM 889 SG CYS A 64 -3.344 13.542 -7.904 1.00 0.00 S ATOM 0 H CYS A 64 -1.776 17.644 -8.511 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.148 15.938 -9.217 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.861 14.845 -9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.656 15.238 -7.595 1.00 0.00 H new ATOM 894 N PRO A 65 -5.270 16.444 -7.102 1.00 0.00 N ATOM 895 CA PRO A 65 -6.025 16.742 -5.882 1.00 0.00 C ATOM 896 C PRO A 65 -5.915 15.581 -4.890 1.00 0.00 C ATOM 897 O PRO A 65 -5.125 14.675 -5.064 1.00 0.00 O ATOM 898 CB PRO A 65 -7.457 16.900 -6.386 1.00 0.00 C ATOM 899 CG PRO A 65 -7.547 16.151 -7.731 1.00 0.00 C ATOM 900 CD PRO A 65 -6.110 16.004 -8.239 1.00 0.00 C ATOM 0 HA PRO A 65 -5.664 17.624 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.166 16.489 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.707 17.953 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.015 15.175 -7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.157 16.705 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.891 14.974 -8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.936 16.618 -9.122 1.00 0.00 H new