USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=7 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= 0.0644 USER MOD Set 1.2: A 61 SER OG : rot 99:sc= 0.677 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.0158 K(o=0.031,f=-1.5!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 157:sc= 0.0151 (180deg=0) USER MOD Single : A 7 SER OG : rot -45:sc= 0.637 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -5.86! C(o=-5.9!,f=-12!) USER MOD Single : A 18 THR OG1 : rot 3:sc= 0.474 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -0.092 31.625 3.314 1.00 0.00 N ATOM 33 CA GLU A 3 0.469 32.756 2.521 1.00 0.00 C ATOM 34 C GLU A 3 1.689 32.278 1.734 1.00 0.00 C ATOM 35 O GLU A 3 2.396 33.064 1.136 1.00 0.00 O ATOM 36 CB GLU A 3 0.880 33.886 3.468 1.00 0.00 C ATOM 37 CG GLU A 3 -0.027 35.097 3.240 1.00 0.00 C ATOM 38 CD GLU A 3 0.636 36.350 3.814 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.818 36.289 4.109 1.00 0.00 O ATOM 40 OE2 GLU A 3 -0.049 37.351 3.949 1.00 0.00 O ATOM 0 HA GLU A 3 -0.287 33.121 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.806 33.553 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.921 34.160 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.214 35.228 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.994 34.935 3.716 1.00 0.00 H new ATOM 47 N CYS A 4 1.940 30.998 1.716 1.00 0.00 N ATOM 48 CA CYS A 4 3.111 30.492 0.951 1.00 0.00 C ATOM 49 C CYS A 4 2.641 29.469 -0.085 1.00 0.00 C ATOM 50 O CYS A 4 1.752 28.680 0.165 1.00 0.00 O ATOM 51 CB CYS A 4 4.118 29.836 1.900 1.00 0.00 C ATOM 52 SG CYS A 4 5.417 29.035 0.923 1.00 0.00 S ATOM 0 H CYS A 4 1.388 30.286 2.195 1.00 0.00 H new ATOM 0 HA CYS A 4 3.594 31.329 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.553 30.584 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.617 29.103 2.532 1.00 0.00 H new ATOM 57 N ASP A 5 3.229 29.484 -1.251 1.00 0.00 N ATOM 58 CA ASP A 5 2.813 28.521 -2.310 1.00 0.00 C ATOM 59 C ASP A 5 3.976 27.582 -2.645 1.00 0.00 C ATOM 60 O ASP A 5 3.816 26.619 -3.370 1.00 0.00 O ATOM 61 CB ASP A 5 2.407 29.300 -3.564 1.00 0.00 C ATOM 62 CG ASP A 5 1.420 28.469 -4.384 1.00 0.00 C ATOM 63 OD1 ASP A 5 1.858 27.528 -5.025 1.00 0.00 O ATOM 64 OD2 ASP A 5 0.242 28.788 -4.358 1.00 0.00 O ATOM 0 H ASP A 5 3.980 30.122 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 5 1.970 27.930 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.953 30.250 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.288 29.532 -4.162 1.00 0.00 H new ATOM 69 N CYS A 6 5.143 27.851 -2.128 1.00 0.00 N ATOM 70 CA CYS A 6 6.309 26.968 -2.425 1.00 0.00 C ATOM 71 C CYS A 6 7.145 26.763 -1.160 1.00 0.00 C ATOM 72 O CYS A 6 7.416 27.693 -0.427 1.00 0.00 O ATOM 73 CB CYS A 6 7.181 27.622 -3.493 1.00 0.00 C ATOM 74 SG CYS A 6 6.332 27.541 -5.082 1.00 0.00 S ATOM 0 H CYS A 6 5.341 28.641 -1.514 1.00 0.00 H new ATOM 0 HA CYS A 6 5.943 26.004 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.385 28.660 -3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.143 27.114 -3.555 1.00 0.00 H new ATOM 79 N SER A 7 7.570 25.556 -0.906 1.00 0.00 N ATOM 80 CA SER A 7 8.402 25.303 0.303 1.00 0.00 C ATOM 81 C SER A 7 9.878 25.308 -0.098 1.00 0.00 C ATOM 82 O SER A 7 10.731 24.830 0.622 1.00 0.00 O ATOM 83 CB SER A 7 8.038 23.944 0.904 1.00 0.00 C ATOM 84 OG SER A 7 8.711 23.785 2.146 1.00 0.00 O ATOM 0 H SER A 7 7.378 24.736 -1.482 1.00 0.00 H new ATOM 0 HA SER A 7 8.219 26.081 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.960 23.875 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.319 23.144 0.220 1.00 0.00 H new ATOM 0 HG SER A 7 9.647 24.057 2.048 1.00 0.00 H new ATOM 90 N SER A 8 10.186 25.848 -1.249 1.00 0.00 N ATOM 91 CA SER A 8 11.606 25.886 -1.698 1.00 0.00 C ATOM 92 C SER A 8 12.084 27.344 -1.754 1.00 0.00 C ATOM 93 O SER A 8 11.363 28.211 -2.209 1.00 0.00 O ATOM 94 CB SER A 8 11.718 25.259 -3.089 1.00 0.00 C ATOM 95 OG SER A 8 11.068 23.995 -3.086 1.00 0.00 O ATOM 0 H SER A 8 9.515 26.263 -1.895 1.00 0.00 H new ATOM 0 HA SER A 8 12.225 25.326 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.264 25.913 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.766 25.142 -3.365 1.00 0.00 H new ATOM 0 HG SER A 8 11.136 23.590 -3.976 1.00 0.00 H new ATOM 101 N PRO A 9 13.286 27.571 -1.288 1.00 0.00 N ATOM 102 CA PRO A 9 13.889 28.915 -1.267 1.00 0.00 C ATOM 103 C PRO A 9 14.441 29.279 -2.649 1.00 0.00 C ATOM 104 O PRO A 9 15.071 30.303 -2.825 1.00 0.00 O ATOM 105 CB PRO A 9 15.028 28.779 -0.254 1.00 0.00 C ATOM 106 CG PRO A 9 15.375 27.273 -0.185 1.00 0.00 C ATOM 107 CD PRO A 9 14.154 26.512 -0.733 1.00 0.00 C ATOM 0 HA PRO A 9 13.176 29.698 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.895 29.363 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.724 29.153 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.265 27.053 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.590 26.972 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.444 25.793 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.647 25.953 0.054 1.00 0.00 H new ATOM 115 N GLU A 10 14.217 28.449 -3.631 1.00 0.00 N ATOM 116 CA GLU A 10 14.740 28.755 -4.992 1.00 0.00 C ATOM 117 C GLU A 10 13.601 28.703 -6.011 1.00 0.00 C ATOM 118 O GLU A 10 13.829 28.683 -7.204 1.00 0.00 O ATOM 119 CB GLU A 10 15.808 27.727 -5.371 1.00 0.00 C ATOM 120 CG GLU A 10 15.310 26.320 -5.034 1.00 0.00 C ATOM 121 CD GLU A 10 15.830 25.330 -6.080 1.00 0.00 C ATOM 122 OE1 GLU A 10 16.917 24.813 -5.888 1.00 0.00 O ATOM 123 OE2 GLU A 10 15.131 25.108 -7.055 1.00 0.00 O ATOM 0 H GLU A 10 13.696 27.576 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 10 15.176 29.754 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.034 27.798 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.733 27.934 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.653 26.030 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.220 26.304 -5.013 1.00 0.00 H new ATOM 130 N ASN A 11 12.377 28.683 -5.560 1.00 0.00 N ATOM 131 CA ASN A 11 11.241 28.635 -6.520 1.00 0.00 C ATOM 132 C ASN A 11 11.299 29.869 -7.430 1.00 0.00 C ATOM 133 O ASN A 11 11.551 30.963 -6.966 1.00 0.00 O ATOM 134 CB ASN A 11 9.918 28.619 -5.752 1.00 0.00 C ATOM 135 CG ASN A 11 8.841 27.966 -6.619 1.00 0.00 C ATOM 136 OD1 ASN A 11 8.186 28.629 -7.398 1.00 0.00 O ATOM 137 ND2 ASN A 11 8.629 26.683 -6.514 1.00 0.00 N ATOM 0 H ASN A 11 12.116 28.698 -4.574 1.00 0.00 H new ATOM 0 HA ASN A 11 11.311 27.732 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.033 28.069 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.624 29.635 -5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.913 26.236 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.179 26.127 -5.860 1.00 0.00 H new ATOM 144 N PRO A 12 11.081 29.656 -8.704 1.00 0.00 N ATOM 145 CA PRO A 12 11.122 30.735 -9.709 1.00 0.00 C ATOM 146 C PRO A 12 9.827 31.557 -9.710 1.00 0.00 C ATOM 147 O PRO A 12 9.835 32.737 -10.000 1.00 0.00 O ATOM 148 CB PRO A 12 11.285 29.982 -11.032 1.00 0.00 C ATOM 149 CG PRO A 12 10.761 28.547 -10.788 1.00 0.00 C ATOM 150 CD PRO A 12 10.779 28.321 -9.266 1.00 0.00 C ATOM 0 HA PRO A 12 11.920 31.452 -9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.723 30.470 -11.828 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.330 29.966 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.752 28.431 -11.184 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.389 27.815 -11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.820 27.946 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.535 27.589 -8.981 1.00 0.00 H new ATOM 158 N CYS A 13 8.716 30.947 -9.404 1.00 0.00 N ATOM 159 CA CYS A 13 7.428 31.701 -9.408 1.00 0.00 C ATOM 160 C CYS A 13 7.092 32.178 -7.995 1.00 0.00 C ATOM 161 O CYS A 13 6.669 33.298 -7.795 1.00 0.00 O ATOM 162 CB CYS A 13 6.312 30.786 -9.915 1.00 0.00 C ATOM 163 SG CYS A 13 5.861 31.266 -11.602 1.00 0.00 S ATOM 0 H CYS A 13 8.642 29.961 -9.152 1.00 0.00 H new ATOM 0 HA CYS A 13 7.523 32.569 -10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.642 29.747 -9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.443 30.856 -9.260 1.00 0.00 H new ATOM 168 N CYS A 14 7.269 31.335 -7.017 1.00 0.00 N ATOM 169 CA CYS A 14 6.945 31.735 -5.617 1.00 0.00 C ATOM 170 C CYS A 14 8.002 32.695 -5.076 1.00 0.00 C ATOM 171 O CYS A 14 9.130 32.319 -4.828 1.00 0.00 O ATOM 172 CB CYS A 14 6.893 30.489 -4.737 1.00 0.00 C ATOM 173 SG CYS A 14 5.576 29.396 -5.326 1.00 0.00 S ATOM 0 H CYS A 14 7.624 30.385 -7.125 1.00 0.00 H new ATOM 0 HA CYS A 14 5.978 32.238 -5.608 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.851 29.970 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.712 30.770 -3.699 1.00 0.00 H new ATOM 178 N ASP A 15 7.638 33.933 -4.870 1.00 0.00 N ATOM 179 CA ASP A 15 8.614 34.909 -4.323 1.00 0.00 C ATOM 180 C ASP A 15 9.143 34.369 -2.996 1.00 0.00 C ATOM 181 O ASP A 15 8.395 34.177 -2.059 1.00 0.00 O ATOM 182 CB ASP A 15 7.920 36.253 -4.084 1.00 0.00 C ATOM 183 CG ASP A 15 8.594 37.334 -4.930 1.00 0.00 C ATOM 184 OD1 ASP A 15 9.011 37.022 -6.033 1.00 0.00 O ATOM 185 OD2 ASP A 15 8.681 38.457 -4.461 1.00 0.00 O ATOM 0 H ASP A 15 6.708 34.306 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 15 9.434 35.052 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.864 36.180 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.972 36.518 -3.028 1.00 0.00 H new ATOM 190 N ALA A 16 10.419 34.108 -2.915 1.00 0.00 N ATOM 191 CA ALA A 16 10.992 33.565 -1.651 1.00 0.00 C ATOM 192 C ALA A 16 10.732 34.541 -0.500 1.00 0.00 C ATOM 193 O ALA A 16 10.571 34.144 0.637 1.00 0.00 O ATOM 194 CB ALA A 16 12.500 33.370 -1.821 1.00 0.00 C ATOM 0 H ALA A 16 11.090 34.248 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 16 10.520 32.609 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.922 32.973 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.687 32.670 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.967 34.328 -2.051 1.00 0.00 H new ATOM 200 N ALA A 17 10.694 35.813 -0.783 1.00 0.00 N ATOM 201 CA ALA A 17 10.450 36.808 0.299 1.00 0.00 C ATOM 202 C ALA A 17 9.075 36.568 0.926 1.00 0.00 C ATOM 203 O ALA A 17 8.912 36.628 2.128 1.00 0.00 O ATOM 204 CB ALA A 17 10.502 38.221 -0.287 1.00 0.00 C ATOM 0 H ALA A 17 10.821 36.207 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 17 11.218 36.700 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.324 38.950 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.484 38.396 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.736 38.325 -1.055 1.00 0.00 H new ATOM 210 N THR A 18 8.081 36.303 0.123 1.00 0.00 N ATOM 211 CA THR A 18 6.718 36.068 0.680 1.00 0.00 C ATOM 212 C THR A 18 6.384 34.575 0.627 1.00 0.00 C ATOM 213 O THR A 18 5.403 34.130 1.187 1.00 0.00 O ATOM 214 CB THR A 18 5.693 36.847 -0.145 1.00 0.00 C ATOM 215 OG1 THR A 18 4.388 36.368 0.149 1.00 0.00 O ATOM 216 CG2 THR A 18 5.985 36.657 -1.634 1.00 0.00 C ATOM 0 H THR A 18 8.153 36.239 -0.892 1.00 0.00 H new ATOM 0 HA THR A 18 6.690 36.405 1.716 1.00 0.00 H new ATOM 0 HB THR A 18 5.755 37.907 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.441 35.682 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.254 37.212 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.986 37.025 -1.858 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.923 35.598 -1.885 1.00 0.00 H new ATOM 224 N CYS A 19 7.190 33.798 -0.043 1.00 0.00 N ATOM 225 CA CYS A 19 6.909 32.338 -0.129 1.00 0.00 C ATOM 226 C CYS A 19 5.671 32.111 -1.002 1.00 0.00 C ATOM 227 O CYS A 19 5.055 31.067 -0.959 1.00 0.00 O ATOM 228 CB CYS A 19 6.649 31.798 1.280 1.00 0.00 C ATOM 229 SG CYS A 19 7.111 30.048 1.368 1.00 0.00 S ATOM 0 H CYS A 19 8.028 34.110 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 19 7.761 31.820 -0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.222 32.371 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.596 31.918 1.536 1.00 0.00 H new ATOM 234 N LYS A 20 5.300 33.085 -1.793 1.00 0.00 N ATOM 235 CA LYS A 20 4.089 32.924 -2.657 1.00 0.00 C ATOM 236 C LYS A 20 4.398 33.376 -4.089 1.00 0.00 C ATOM 237 O LYS A 20 5.298 34.156 -4.323 1.00 0.00 O ATOM 238 CB LYS A 20 2.952 33.781 -2.092 1.00 0.00 C ATOM 239 CG LYS A 20 1.899 32.883 -1.439 1.00 0.00 C ATOM 240 CD LYS A 20 0.888 32.432 -2.496 1.00 0.00 C ATOM 241 CE LYS A 20 -0.422 33.201 -2.309 1.00 0.00 C ATOM 242 NZ LYS A 20 -0.877 33.737 -3.623 1.00 0.00 N ATOM 0 H LYS A 20 5.780 33.981 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 20 3.796 31.874 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.346 34.486 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.497 34.369 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.377 32.016 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.390 33.422 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.287 32.609 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.709 31.360 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.184 32.545 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.279 34.018 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.767 34.259 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.152 34.376 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.030 32.950 -4.285 1.00 0.00 H new ATOM 256 N LEU A 21 3.650 32.893 -5.050 1.00 0.00 N ATOM 257 CA LEU A 21 3.898 33.297 -6.467 1.00 0.00 C ATOM 258 C LEU A 21 3.648 34.797 -6.624 1.00 0.00 C ATOM 259 O LEU A 21 2.540 35.274 -6.487 1.00 0.00 O ATOM 260 CB LEU A 21 2.974 32.515 -7.402 1.00 0.00 C ATOM 261 CG LEU A 21 2.774 31.098 -6.860 1.00 0.00 C ATOM 262 CD1 LEU A 21 1.371 30.971 -6.262 1.00 0.00 C ATOM 263 CD2 LEU A 21 2.933 30.090 -8.000 1.00 0.00 C ATOM 0 H LEU A 21 2.880 32.238 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 21 4.933 33.076 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.013 33.022 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.403 32.475 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 21 3.517 30.897 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.230 29.961 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.255 31.689 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.627 31.172 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.791 29.080 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.190 30.293 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.932 30.178 -8.427 1.00 0.00 H new ATOM 275 N ARG A 22 4.681 35.542 -6.908 1.00 0.00 N ATOM 276 CA ARG A 22 4.523 37.015 -7.073 1.00 0.00 C ATOM 277 C ARG A 22 3.767 37.347 -8.371 1.00 0.00 C ATOM 278 O ARG A 22 2.904 38.204 -8.365 1.00 0.00 O ATOM 279 CB ARG A 22 5.903 37.681 -7.099 1.00 0.00 C ATOM 280 CG ARG A 22 5.742 39.175 -7.383 1.00 0.00 C ATOM 281 CD ARG A 22 6.389 39.516 -8.726 1.00 0.00 C ATOM 282 NE ARG A 22 5.928 40.862 -9.170 1.00 0.00 N ATOM 283 CZ ARG A 22 6.265 41.311 -10.347 1.00 0.00 C ATOM 284 NH1 ARG A 22 6.261 40.509 -11.376 1.00 0.00 N ATOM 285 NH2 ARG A 22 6.606 42.562 -10.494 1.00 0.00 N ATOM 0 H ARG A 22 5.631 35.193 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 22 3.945 37.394 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.408 37.534 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.527 37.220 -7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.685 39.440 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.204 39.758 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.475 39.504 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.125 38.765 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 22 5.349 41.432 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.994 39.531 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.524 40.860 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.609 43.188 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.870 42.914 -11.414 1.00 0.00 H new ATOM 299 N PRO A 23 4.104 36.678 -9.452 1.00 0.00 N ATOM 300 CA PRO A 23 3.455 36.921 -10.753 1.00 0.00 C ATOM 301 C PRO A 23 2.080 36.251 -10.803 1.00 0.00 C ATOM 302 O PRO A 23 1.730 35.466 -9.945 1.00 0.00 O ATOM 303 CB PRO A 23 4.412 36.283 -11.763 1.00 0.00 C ATOM 304 CG PRO A 23 5.241 35.240 -10.977 1.00 0.00 C ATOM 305 CD PRO A 23 5.146 35.628 -9.490 1.00 0.00 C ATOM 0 HA PRO A 23 3.282 37.979 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.861 35.809 -12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.060 37.035 -12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.853 34.235 -11.140 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.279 35.239 -11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.872 34.773 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.099 36.000 -9.114 1.00 0.00 H new ATOM 313 N GLY A 24 1.298 36.558 -11.802 1.00 0.00 N ATOM 314 CA GLY A 24 -0.055 35.945 -11.910 1.00 0.00 C ATOM 315 C GLY A 24 0.081 34.429 -12.061 1.00 0.00 C ATOM 316 O GLY A 24 -0.089 33.884 -13.135 1.00 0.00 O ATOM 0 H GLY A 24 1.539 37.209 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.644 36.181 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.586 36.360 -12.766 1.00 0.00 H new ATOM 320 N ALA A 25 0.382 33.743 -10.994 1.00 0.00 N ATOM 321 CA ALA A 25 0.526 32.263 -11.071 1.00 0.00 C ATOM 322 C ALA A 25 -0.509 31.612 -10.155 1.00 0.00 C ATOM 323 O ALA A 25 -1.066 32.249 -9.283 1.00 0.00 O ATOM 324 CB ALA A 25 1.930 31.866 -10.614 1.00 0.00 C ATOM 0 H ALA A 25 0.535 34.145 -10.069 1.00 0.00 H new ATOM 0 HA ALA A 25 0.370 31.930 -12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.038 30.783 -10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.670 32.338 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.084 32.194 -9.586 1.00 0.00 H new ATOM 330 N GLN A 26 -0.770 30.348 -10.339 1.00 0.00 N ATOM 331 CA GLN A 26 -1.765 29.662 -9.469 1.00 0.00 C ATOM 332 C GLN A 26 -1.030 28.966 -8.325 1.00 0.00 C ATOM 333 O GLN A 26 -1.288 29.215 -7.165 1.00 0.00 O ATOM 334 CB GLN A 26 -2.540 28.627 -10.289 1.00 0.00 C ATOM 335 CG GLN A 26 -4.027 28.701 -9.934 1.00 0.00 C ATOM 336 CD GLN A 26 -4.733 29.671 -10.885 1.00 0.00 C ATOM 337 OE1 GLN A 26 -4.435 30.848 -10.903 1.00 0.00 O ATOM 338 NE2 GLN A 26 -5.665 29.221 -11.682 1.00 0.00 N ATOM 0 H GLN A 26 -0.338 29.761 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.466 30.393 -9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.400 28.813 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.157 27.627 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.478 27.711 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.149 29.033 -8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.915 28.232 -11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.142 29.858 -12.319 1.00 0.00 H new ATOM 347 N CYS A 27 -0.110 28.099 -8.644 1.00 0.00 N ATOM 348 CA CYS A 27 0.649 27.392 -7.576 1.00 0.00 C ATOM 349 C CYS A 27 2.081 27.148 -8.054 1.00 0.00 C ATOM 350 O CYS A 27 2.341 27.041 -9.236 1.00 0.00 O ATOM 351 CB CYS A 27 -0.025 26.054 -7.268 1.00 0.00 C ATOM 352 SG CYS A 27 -0.556 25.275 -8.812 1.00 0.00 S ATOM 0 H CYS A 27 0.149 27.850 -9.599 1.00 0.00 H new ATOM 0 HA CYS A 27 0.664 28.002 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.667 25.400 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.882 26.209 -6.613 1.00 0.00 H new ATOM 357 N GLY A 28 3.016 27.062 -7.149 1.00 0.00 N ATOM 358 CA GLY A 28 4.427 26.827 -7.564 1.00 0.00 C ATOM 359 C GLY A 28 4.908 25.480 -7.015 1.00 0.00 C ATOM 360 O GLY A 28 5.898 24.935 -7.462 1.00 0.00 O ATOM 0 H GLY A 28 2.865 27.144 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.503 26.836 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.064 27.630 -7.194 1.00 0.00 H new ATOM 364 N GLU A 29 4.209 24.933 -6.058 1.00 0.00 N ATOM 365 CA GLU A 29 4.624 23.616 -5.493 1.00 0.00 C ATOM 366 C GLU A 29 3.384 22.759 -5.241 1.00 0.00 C ATOM 367 O GLU A 29 2.314 23.263 -4.964 1.00 0.00 O ATOM 368 CB GLU A 29 5.371 23.833 -4.175 1.00 0.00 C ATOM 369 CG GLU A 29 6.138 22.560 -3.811 1.00 0.00 C ATOM 370 CD GLU A 29 5.968 22.267 -2.320 1.00 0.00 C ATOM 371 OE1 GLU A 29 4.934 22.623 -1.780 1.00 0.00 O ATOM 372 OE2 GLU A 29 6.875 21.691 -1.742 1.00 0.00 O ATOM 0 H GLU A 29 3.370 25.339 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 29 5.281 23.109 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.060 24.672 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.667 24.086 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.770 21.721 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.195 22.679 -4.050 1.00 0.00 H new ATOM 379 N GLY A 30 3.517 21.464 -5.335 1.00 0.00 N ATOM 380 CA GLY A 30 2.343 20.576 -5.102 1.00 0.00 C ATOM 381 C GLY A 30 2.519 19.277 -5.889 1.00 0.00 C ATOM 382 O GLY A 30 3.547 19.039 -6.491 1.00 0.00 O ATOM 0 H GLY A 30 4.387 20.983 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.244 20.358 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.427 21.079 -5.411 1.00 0.00 H new ATOM 386 N LEU A 31 1.522 18.435 -5.892 1.00 0.00 N ATOM 387 CA LEU A 31 1.631 17.152 -6.640 1.00 0.00 C ATOM 388 C LEU A 31 1.012 17.315 -8.031 1.00 0.00 C ATOM 389 O LEU A 31 1.207 16.496 -8.907 1.00 0.00 O ATOM 390 CB LEU A 31 0.887 16.054 -5.877 1.00 0.00 C ATOM 391 CG LEU A 31 1.834 15.393 -4.873 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.920 14.621 -5.626 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.486 16.469 -4.003 1.00 0.00 C ATOM 0 H LEU A 31 0.636 18.581 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 31 2.681 16.879 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.028 16.477 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.503 15.309 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 31 1.271 14.706 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.594 14.150 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.457 13.854 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.483 15.308 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.161 15.999 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.049 17.156 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.714 17.020 -3.466 1.00 0.00 H new ATOM 405 N CYS A 32 0.264 18.365 -8.240 1.00 0.00 N ATOM 406 CA CYS A 32 -0.368 18.575 -9.574 1.00 0.00 C ATOM 407 C CYS A 32 -0.289 20.054 -9.953 1.00 0.00 C ATOM 408 O CYS A 32 -1.294 20.719 -10.112 1.00 0.00 O ATOM 409 CB CYS A 32 -1.835 18.142 -9.514 1.00 0.00 C ATOM 410 SG CYS A 32 -1.980 16.644 -8.511 1.00 0.00 S ATOM 0 H CYS A 32 0.064 19.085 -7.546 1.00 0.00 H new ATOM 0 HA CYS A 32 0.158 17.982 -10.322 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.443 18.939 -9.087 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.212 17.957 -10.520 1.00 0.00 H new ATOM 415 N CYS A 33 0.898 20.575 -10.102 1.00 0.00 N ATOM 416 CA CYS A 33 1.040 22.010 -10.474 1.00 0.00 C ATOM 417 C CYS A 33 2.266 22.186 -11.371 1.00 0.00 C ATOM 418 O CYS A 33 3.347 21.731 -11.057 1.00 0.00 O ATOM 419 CB CYS A 33 1.211 22.852 -9.208 1.00 0.00 C ATOM 420 SG CYS A 33 1.161 24.607 -9.640 1.00 0.00 S ATOM 0 H CYS A 33 1.775 20.069 -9.982 1.00 0.00 H new ATOM 0 HA CYS A 33 0.148 22.335 -11.009 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.421 22.620 -8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.158 22.612 -8.724 1.00 0.00 H new ATOM 425 N GLU A 34 2.106 22.844 -12.487 1.00 0.00 N ATOM 426 CA GLU A 34 3.261 23.050 -13.407 1.00 0.00 C ATOM 427 C GLU A 34 3.123 24.408 -14.099 1.00 0.00 C ATOM 428 O GLU A 34 2.036 24.929 -14.253 1.00 0.00 O ATOM 429 CB GLU A 34 3.282 21.940 -14.457 1.00 0.00 C ATOM 430 CG GLU A 34 3.996 20.715 -13.885 1.00 0.00 C ATOM 431 CD GLU A 34 4.590 19.888 -15.027 1.00 0.00 C ATOM 432 OE1 GLU A 34 5.452 20.403 -15.720 1.00 0.00 O ATOM 433 OE2 GLU A 34 4.172 18.753 -15.190 1.00 0.00 O ATOM 0 H GLU A 34 1.224 23.248 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 34 4.190 23.025 -12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.264 21.679 -14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.792 22.285 -15.357 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.785 21.028 -13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.296 20.109 -13.310 1.00 0.00 H new ATOM 440 N GLN A 35 4.216 24.991 -14.512 1.00 0.00 N ATOM 441 CA GLN A 35 4.138 26.317 -15.184 1.00 0.00 C ATOM 442 C GLN A 35 3.528 27.332 -14.219 1.00 0.00 C ATOM 443 O GLN A 35 2.935 28.312 -14.623 1.00 0.00 O ATOM 444 CB GLN A 35 3.259 26.211 -16.432 1.00 0.00 C ATOM 445 CG GLN A 35 3.875 25.206 -17.409 1.00 0.00 C ATOM 446 CD GLN A 35 2.986 25.086 -18.647 1.00 0.00 C ATOM 447 OE1 GLN A 35 1.892 25.615 -18.679 1.00 0.00 O ATOM 448 NE2 GLN A 35 3.413 24.409 -19.678 1.00 0.00 N ATOM 0 H GLN A 35 5.156 24.607 -14.413 1.00 0.00 H new ATOM 0 HA GLN A 35 5.138 26.638 -15.474 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.253 25.895 -16.155 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.167 27.187 -16.908 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.875 25.529 -17.697 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.980 24.233 -16.928 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.331 23.965 -19.652 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.829 24.324 -20.510 1.00 0.00 H new ATOM 457 N CYS A 36 3.665 27.098 -12.942 1.00 0.00 N ATOM 458 CA CYS A 36 3.090 28.039 -11.940 1.00 0.00 C ATOM 459 C CYS A 36 1.562 27.947 -11.969 1.00 0.00 C ATOM 460 O CYS A 36 0.868 28.898 -11.671 1.00 0.00 O ATOM 461 CB CYS A 36 3.523 29.472 -12.263 1.00 0.00 C ATOM 462 SG CYS A 36 5.318 29.531 -12.483 1.00 0.00 S ATOM 0 H CYS A 36 4.152 26.293 -12.549 1.00 0.00 H new ATOM 0 HA CYS A 36 3.452 27.771 -10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.024 29.818 -13.169 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.223 30.143 -11.458 1.00 0.00 H new ATOM 467 N LYS A 37 1.035 26.807 -12.319 1.00 0.00 N ATOM 468 CA LYS A 37 -0.447 26.653 -12.360 1.00 0.00 C ATOM 469 C LYS A 37 -0.812 25.174 -12.203 1.00 0.00 C ATOM 470 O LYS A 37 0.048 24.319 -12.127 1.00 0.00 O ATOM 471 CB LYS A 37 -0.984 27.181 -13.695 1.00 0.00 C ATOM 472 CG LYS A 37 -0.672 26.183 -14.812 1.00 0.00 C ATOM 473 CD LYS A 37 -1.269 26.691 -16.127 1.00 0.00 C ATOM 474 CE LYS A 37 -0.451 27.881 -16.634 1.00 0.00 C ATOM 475 NZ LYS A 37 -0.478 27.905 -18.124 1.00 0.00 N ATOM 0 H LYS A 37 1.566 25.975 -12.578 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.893 27.223 -11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.060 27.340 -13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.533 28.147 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.406 26.058 -14.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.084 25.204 -14.566 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.270 25.894 -16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.307 26.987 -15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.858 28.811 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.577 27.806 -16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.281 28.869 -18.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.244 27.255 -18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.417 27.607 -18.459 1.00 0.00 H new ATOM 489 N PHE A 38 -2.079 24.863 -12.153 1.00 0.00 N ATOM 490 CA PHE A 38 -2.488 23.438 -11.997 1.00 0.00 C ATOM 491 C PHE A 38 -2.138 22.664 -13.268 1.00 0.00 C ATOM 492 O PHE A 38 -2.033 23.225 -14.341 1.00 0.00 O ATOM 493 CB PHE A 38 -3.998 23.360 -11.755 1.00 0.00 C ATOM 494 CG PHE A 38 -4.364 24.216 -10.565 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.590 24.165 -9.400 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.480 25.060 -10.627 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.930 24.957 -8.297 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.820 25.853 -9.524 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.046 25.801 -8.359 1.00 0.00 C ATOM 0 H PHE A 38 -2.847 25.532 -12.213 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.961 23.003 -11.148 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.537 23.700 -12.640 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.295 22.326 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.730 23.514 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.078 25.099 -11.525 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.332 24.917 -7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.680 26.505 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.309 26.412 -7.508 1.00 0.00 H new ATOM 509 N SER A 39 -1.956 21.376 -13.157 1.00 0.00 N ATOM 510 CA SER A 39 -1.612 20.567 -14.358 1.00 0.00 C ATOM 511 C SER A 39 -2.886 20.269 -15.156 1.00 0.00 C ATOM 512 O SER A 39 -3.398 21.118 -15.857 1.00 0.00 O ATOM 513 CB SER A 39 -0.945 19.262 -13.920 1.00 0.00 C ATOM 514 OG SER A 39 0.359 19.544 -13.427 1.00 0.00 O ATOM 0 H SER A 39 -2.031 20.850 -12.286 1.00 0.00 H new ATOM 0 HA SER A 39 -0.920 21.124 -14.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.541 18.777 -13.147 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.887 18.570 -14.760 1.00 0.00 H new ATOM 0 HG SER A 39 0.789 18.710 -13.144 1.00 0.00 H new ATOM 520 N ARG A 40 -3.407 19.075 -15.058 1.00 0.00 N ATOM 521 CA ARG A 40 -4.646 18.743 -15.816 1.00 0.00 C ATOM 522 C ARG A 40 -5.561 17.872 -14.952 1.00 0.00 C ATOM 523 O ARG A 40 -5.204 17.469 -13.863 1.00 0.00 O ATOM 524 CB ARG A 40 -4.276 17.983 -17.091 1.00 0.00 C ATOM 525 CG ARG A 40 -3.889 18.980 -18.185 1.00 0.00 C ATOM 526 CD ARG A 40 -2.366 19.058 -18.291 1.00 0.00 C ATOM 527 NE ARG A 40 -1.865 17.907 -19.094 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.591 17.800 -19.356 1.00 0.00 C ATOM 529 NH1 ARG A 40 0.126 18.871 -19.557 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.035 16.622 -19.417 1.00 0.00 N ATOM 0 H ARG A 40 -3.029 18.318 -14.488 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.166 19.665 -16.078 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.447 17.303 -16.894 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.117 17.373 -17.421 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.315 18.671 -19.140 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.299 19.964 -17.956 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.071 19.997 -18.758 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.920 19.043 -17.296 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.518 17.203 -19.439 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.309 19.792 -19.509 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.122 18.787 -19.762 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.596 15.785 -19.260 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.961 16.538 -19.622 1.00 0.00 H new ATOM 544 N ALA A 41 -6.738 17.578 -15.433 1.00 0.00 N ATOM 545 CA ALA A 41 -7.677 16.732 -14.643 1.00 0.00 C ATOM 546 C ALA A 41 -7.318 15.257 -14.839 1.00 0.00 C ATOM 547 O ALA A 41 -6.857 14.856 -15.890 1.00 0.00 O ATOM 548 CB ALA A 41 -9.109 16.978 -15.123 1.00 0.00 C ATOM 0 H ALA A 41 -7.090 17.887 -16.339 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.599 16.988 -13.586 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.797 16.360 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.363 18.029 -14.986 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.188 16.720 -16.179 1.00 0.00 H new ATOM 554 N GLY A 42 -7.525 14.447 -13.838 1.00 0.00 N ATOM 555 CA GLY A 42 -7.193 13.000 -13.972 1.00 0.00 C ATOM 556 C GLY A 42 -5.673 12.833 -14.007 1.00 0.00 C ATOM 557 O GLY A 42 -5.147 11.978 -14.691 1.00 0.00 O ATOM 0 H GLY A 42 -7.909 14.723 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.613 12.440 -13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.636 12.596 -14.882 1.00 0.00 H new ATOM 561 N LYS A 43 -4.962 13.646 -13.273 1.00 0.00 N ATOM 562 CA LYS A 43 -3.475 13.537 -13.264 1.00 0.00 C ATOM 563 C LYS A 43 -3.042 12.626 -12.112 1.00 0.00 C ATOM 564 O LYS A 43 -3.328 12.885 -10.962 1.00 0.00 O ATOM 565 CB LYS A 43 -2.869 14.936 -13.084 1.00 0.00 C ATOM 566 CG LYS A 43 -1.429 14.826 -12.568 1.00 0.00 C ATOM 567 CD LYS A 43 -0.563 14.116 -13.610 1.00 0.00 C ATOM 568 CE LYS A 43 0.036 15.149 -14.565 1.00 0.00 C ATOM 569 NZ LYS A 43 1.395 15.539 -14.089 1.00 0.00 N ATOM 0 H LYS A 43 -5.347 14.381 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.126 13.112 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.883 15.471 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.471 15.514 -12.383 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.029 15.819 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.410 14.275 -11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.232 13.557 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.162 13.395 -14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.097 14.737 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.608 16.027 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.802 16.242 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.325 15.949 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.007 14.699 -14.060 1.00 0.00 H new ATOM 583 N ILE A 44 -2.346 11.563 -12.408 1.00 0.00 N ATOM 584 CA ILE A 44 -1.899 10.649 -11.321 1.00 0.00 C ATOM 585 C ILE A 44 -1.017 11.431 -10.346 1.00 0.00 C ATOM 586 O ILE A 44 -0.002 11.986 -10.718 1.00 0.00 O ATOM 587 CB ILE A 44 -1.098 9.494 -11.921 1.00 0.00 C ATOM 588 CG1 ILE A 44 -2.045 8.538 -12.650 1.00 0.00 C ATOM 589 CG2 ILE A 44 -0.377 8.738 -10.803 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.883 7.770 -11.627 1.00 0.00 C ATOM 0 H ILE A 44 -2.069 11.289 -13.351 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.766 10.249 -10.795 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.366 9.889 -12.626 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.696 9.097 -13.323 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.474 7.842 -13.264 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.194 7.914 -11.231 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.299 9.416 -10.282 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.110 8.344 -10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.557 7.089 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.225 7.199 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.465 8.474 -11.032 1.00 0.00 H new ATOM 602 N CYS A 45 -1.404 11.490 -9.104 1.00 0.00 N ATOM 603 CA CYS A 45 -0.596 12.249 -8.107 1.00 0.00 C ATOM 604 C CYS A 45 -0.139 11.321 -6.978 1.00 0.00 C ATOM 605 O CYS A 45 0.660 11.697 -6.144 1.00 0.00 O ATOM 606 CB CYS A 45 -1.435 13.386 -7.515 1.00 0.00 C ATOM 607 SG CYS A 45 -3.191 12.931 -7.503 1.00 0.00 S ATOM 0 H CYS A 45 -2.245 11.046 -8.734 1.00 0.00 H new ATOM 0 HA CYS A 45 0.279 12.661 -8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.101 13.603 -6.500 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.292 14.295 -8.099 1.00 0.00 H new ATOM 612 N ARG A 46 -0.635 10.113 -6.936 1.00 0.00 N ATOM 613 CA ARG A 46 -0.216 9.182 -5.851 1.00 0.00 C ATOM 614 C ARG A 46 -0.474 7.737 -6.274 1.00 0.00 C ATOM 615 O ARG A 46 -1.539 7.395 -6.750 1.00 0.00 O ATOM 616 CB ARG A 46 -1.009 9.492 -4.578 1.00 0.00 C ATOM 617 CG ARG A 46 -0.053 9.978 -3.488 1.00 0.00 C ATOM 618 CD ARG A 46 -0.828 10.807 -2.460 1.00 0.00 C ATOM 619 NE ARG A 46 -0.043 10.894 -1.197 1.00 0.00 N ATOM 620 CZ ARG A 46 0.240 12.060 -0.682 1.00 0.00 C ATOM 621 NH1 ARG A 46 1.210 12.776 -1.182 1.00 0.00 N ATOM 622 NH2 ARG A 46 -0.447 12.511 0.331 1.00 0.00 N ATOM 0 H ARG A 46 -1.308 9.733 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 46 0.849 9.313 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.762 10.253 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.539 8.601 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.422 9.127 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.743 10.578 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.018 11.806 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.799 10.351 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 46 0.274 10.042 -0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.747 12.425 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.431 13.687 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.206 11.953 0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.225 13.422 0.733 1.00 0.00 H new ATOM 636 N ILE A 47 0.500 6.888 -6.101 1.00 0.00 N ATOM 637 CA ILE A 47 0.331 5.463 -6.485 1.00 0.00 C ATOM 638 C ILE A 47 1.003 4.578 -5.422 1.00 0.00 C ATOM 639 O ILE A 47 2.065 4.029 -5.638 1.00 0.00 O ATOM 640 CB ILE A 47 0.958 5.240 -7.870 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.522 3.879 -8.425 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.484 5.303 -7.778 1.00 0.00 C ATOM 643 CD1 ILE A 47 1.204 2.753 -7.649 1.00 0.00 C ATOM 0 H ILE A 47 1.411 7.124 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.725 5.200 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 47 0.616 6.027 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.561 3.778 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.778 3.810 -9.482 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.915 5.143 -8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.786 6.281 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.840 4.529 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.888 1.791 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.286 2.848 -7.745 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.926 2.816 -6.597 1.00 0.00 H new ATOM 755 N ASP A 54 -4.503 4.347 -8.086 1.00 0.00 N ATOM 756 CA ASP A 54 -3.652 5.565 -8.183 1.00 0.00 C ATOM 757 C ASP A 54 -4.506 6.814 -7.957 1.00 0.00 C ATOM 758 O ASP A 54 -5.581 6.951 -8.506 1.00 0.00 O ATOM 759 CB ASP A 54 -3.016 5.631 -9.574 1.00 0.00 C ATOM 760 CG ASP A 54 -2.244 4.339 -9.845 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.738 3.287 -9.473 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.171 4.423 -10.418 1.00 0.00 O ATOM 0 HA ASP A 54 -2.872 5.520 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.787 5.772 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.345 6.488 -9.638 1.00 0.00 H new ATOM 767 N ASP A 55 -4.032 7.729 -7.158 1.00 0.00 N ATOM 768 CA ASP A 55 -4.811 8.973 -6.900 1.00 0.00 C ATOM 769 C ASP A 55 -4.599 9.950 -8.058 1.00 0.00 C ATOM 770 O ASP A 55 -3.483 10.280 -8.406 1.00 0.00 O ATOM 771 CB ASP A 55 -4.330 9.611 -5.595 1.00 0.00 C ATOM 772 CG ASP A 55 -5.146 9.059 -4.425 1.00 0.00 C ATOM 773 OD1 ASP A 55 -4.923 7.916 -4.061 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.981 9.787 -3.913 1.00 0.00 O ATOM 0 H ASP A 55 -3.137 7.669 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.871 8.733 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.271 9.401 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.436 10.695 -5.647 1.00 0.00 H new ATOM 779 N ARG A 56 -5.661 10.413 -8.661 1.00 0.00 N ATOM 780 CA ARG A 56 -5.512 11.366 -9.798 1.00 0.00 C ATOM 781 C ARG A 56 -5.862 12.780 -9.333 1.00 0.00 C ATOM 782 O ARG A 56 -6.594 12.968 -8.381 1.00 0.00 O ATOM 783 CB ARG A 56 -6.449 10.954 -10.936 1.00 0.00 C ATOM 784 CG ARG A 56 -6.206 9.485 -11.288 1.00 0.00 C ATOM 785 CD ARG A 56 -5.660 9.384 -12.714 1.00 0.00 C ATOM 786 NE ARG A 56 -5.707 7.966 -13.167 1.00 0.00 N ATOM 787 CZ ARG A 56 -5.523 7.677 -14.427 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.303 8.196 -15.336 1.00 0.00 N ATOM 789 NH2 ARG A 56 -4.559 6.871 -14.779 1.00 0.00 N ATOM 0 H ARG A 56 -6.622 10.173 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.481 11.348 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.487 11.101 -10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.276 11.582 -11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.499 9.044 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.135 8.921 -11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.248 10.010 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.635 9.754 -12.749 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.883 7.221 -12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.056 8.827 -15.062 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.159 7.970 -16.320 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.948 6.466 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.416 6.646 -15.764 1.00 0.00 H new ATOM 803 N CYS A 57 -5.344 13.778 -9.996 1.00 0.00 N ATOM 804 CA CYS A 57 -5.643 15.181 -9.593 1.00 0.00 C ATOM 805 C CYS A 57 -6.958 15.628 -10.232 1.00 0.00 C ATOM 806 O CYS A 57 -7.331 15.168 -11.295 1.00 0.00 O ATOM 807 CB CYS A 57 -4.514 16.101 -10.061 1.00 0.00 C ATOM 808 SG CYS A 57 -2.917 15.324 -9.721 1.00 0.00 S ATOM 0 H CYS A 57 -4.725 13.682 -10.801 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.729 15.233 -8.508 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.613 16.301 -11.128 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.579 17.062 -9.550 1.00 0.00 H new ATOM 813 N THR A 58 -7.660 16.524 -9.593 1.00 0.00 N ATOM 814 CA THR A 58 -8.952 17.007 -10.159 1.00 0.00 C ATOM 815 C THR A 58 -8.676 18.007 -11.282 1.00 0.00 C ATOM 816 O THR A 58 -9.569 18.413 -11.998 1.00 0.00 O ATOM 817 CB THR A 58 -9.769 17.688 -9.058 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.985 18.705 -8.451 1.00 0.00 O ATOM 819 CG2 THR A 58 -10.171 16.656 -8.004 1.00 0.00 C ATOM 0 H THR A 58 -7.394 16.943 -8.702 1.00 0.00 H new ATOM 0 HA THR A 58 -9.512 16.161 -10.557 1.00 0.00 H new ATOM 0 HB THR A 58 -10.667 18.129 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.507 19.144 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.752 17.143 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.772 15.875 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.275 16.213 -7.568 1.00 0.00 H new ATOM 827 N GLY A 59 -7.445 18.409 -11.441 1.00 0.00 N ATOM 828 CA GLY A 59 -7.113 19.383 -12.518 1.00 0.00 C ATOM 829 C GLY A 59 -7.186 20.804 -11.955 1.00 0.00 C ATOM 830 O GLY A 59 -6.523 21.704 -12.427 1.00 0.00 O ATOM 0 H GLY A 59 -6.655 18.105 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.115 19.185 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.808 19.273 -13.350 1.00 0.00 H new ATOM 834 N GLN A 60 -7.988 21.010 -10.947 1.00 0.00 N ATOM 835 CA GLN A 60 -8.103 22.371 -10.354 1.00 0.00 C ATOM 836 C GLN A 60 -7.324 22.419 -9.038 1.00 0.00 C ATOM 837 O GLN A 60 -6.879 23.465 -8.608 1.00 0.00 O ATOM 838 CB GLN A 60 -9.575 22.689 -10.087 1.00 0.00 C ATOM 839 CG GLN A 60 -10.342 22.718 -11.411 1.00 0.00 C ATOM 840 CD GLN A 60 -11.433 23.788 -11.344 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.812 24.221 -10.274 1.00 0.00 O ATOM 842 NE2 GLN A 60 -11.959 24.237 -12.452 1.00 0.00 N ATOM 0 H GLN A 60 -8.568 20.295 -10.509 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.693 23.106 -11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.005 21.939 -9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.664 23.651 -9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.660 22.930 -12.234 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.786 21.742 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.642 23.874 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.687 24.950 -12.418 1.00 0.00 H new ATOM 851 N SER A 61 -7.155 21.297 -8.395 1.00 0.00 N ATOM 852 CA SER A 61 -6.404 21.284 -7.107 1.00 0.00 C ATOM 853 C SER A 61 -4.912 21.082 -7.388 1.00 0.00 C ATOM 854 O SER A 61 -4.532 20.313 -8.249 1.00 0.00 O ATOM 855 CB SER A 61 -6.916 20.141 -6.229 1.00 0.00 C ATOM 856 OG SER A 61 -6.274 18.933 -6.612 1.00 0.00 O ATOM 0 H SER A 61 -7.503 20.390 -8.704 1.00 0.00 H new ATOM 0 HA SER A 61 -6.552 22.233 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.716 20.356 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.996 20.042 -6.334 1.00 0.00 H new ATOM 0 HG SER A 61 -5.529 18.751 -6.002 1.00 0.00 H new ATOM 862 N ALA A 62 -4.064 21.765 -6.668 1.00 0.00 N ATOM 863 CA ALA A 62 -2.599 21.609 -6.894 1.00 0.00 C ATOM 864 C ALA A 62 -2.096 20.384 -6.128 1.00 0.00 C ATOM 865 O ALA A 62 -1.329 19.593 -6.639 1.00 0.00 O ATOM 866 CB ALA A 62 -1.867 22.859 -6.398 1.00 0.00 C ATOM 0 H ALA A 62 -4.322 22.424 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.407 21.478 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.796 22.743 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.227 23.732 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.057 22.993 -5.333 1.00 0.00 H new ATOM 872 N ASP A 63 -2.524 20.219 -4.906 1.00 0.00 N ATOM 873 CA ASP A 63 -2.073 19.043 -4.110 1.00 0.00 C ATOM 874 C ASP A 63 -2.986 17.851 -4.413 1.00 0.00 C ATOM 875 O ASP A 63 -3.994 17.985 -5.077 1.00 0.00 O ATOM 876 CB ASP A 63 -2.140 19.375 -2.617 1.00 0.00 C ATOM 877 CG ASP A 63 -1.281 20.608 -2.329 1.00 0.00 C ATOM 878 OD1 ASP A 63 -0.800 21.205 -3.277 1.00 0.00 O ATOM 879 OD2 ASP A 63 -1.117 20.932 -1.164 1.00 0.00 O ATOM 0 H ASP A 63 -3.167 20.848 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.045 18.794 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.172 19.561 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.787 18.528 -2.029 1.00 0.00 H new ATOM 884 N CYS A 64 -2.639 16.685 -3.939 1.00 0.00 N ATOM 885 CA CYS A 64 -3.486 15.492 -4.210 1.00 0.00 C ATOM 886 C CYS A 64 -4.001 14.909 -2.897 1.00 0.00 C ATOM 887 O CYS A 64 -3.231 14.457 -2.074 1.00 0.00 O ATOM 888 CB CYS A 64 -2.658 14.445 -4.951 1.00 0.00 C ATOM 889 SG CYS A 64 -3.747 13.144 -5.574 1.00 0.00 S ATOM 0 H CYS A 64 -1.806 16.509 -3.377 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.338 15.785 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.120 14.910 -5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.910 14.018 -4.283 1.00 0.00 H new ATOM 894 N PRO A 65 -5.301 14.940 -2.747 1.00 0.00 N ATOM 895 CA PRO A 65 -5.971 14.422 -1.549 1.00 0.00 C ATOM 896 C PRO A 65 -6.090 12.895 -1.614 1.00 0.00 C ATOM 897 O PRO A 65 -5.412 12.241 -2.381 1.00 0.00 O ATOM 898 CB PRO A 65 -7.351 15.072 -1.612 1.00 0.00 C ATOM 899 CG PRO A 65 -7.600 15.463 -3.083 1.00 0.00 C ATOM 900 CD PRO A 65 -6.225 15.498 -3.759 1.00 0.00 C ATOM 0 HA PRO A 65 -5.434 14.644 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.118 14.382 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.393 15.950 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.255 14.741 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.090 16.434 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.217 14.905 -4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.944 16.514 -4.035 1.00 0.00 H new