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 Single : A 7 SER OG : rot -61:sc= 0.278 USER MOD Single : A 8 SER OG : rot 78:sc= 1.17 USER MOD Single : A 11 ASN : amide:sc= -0.542 K(o=-0.54,f=-3.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= -0.102 (180deg=-0.652) USER MOD Single : A 26 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 60 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -4.913 34.723 -4.961 1.00 0.00 N ATOM 33 CA GLU A 3 -4.252 35.468 -6.067 1.00 0.00 C ATOM 34 C GLU A 3 -2.979 34.732 -6.490 1.00 0.00 C ATOM 35 O GLU A 3 -2.380 35.044 -7.500 1.00 0.00 O ATOM 36 CB GLU A 3 -3.899 36.878 -5.593 1.00 0.00 C ATOM 37 CG GLU A 3 -5.149 37.761 -5.647 1.00 0.00 C ATOM 38 CD GLU A 3 -6.254 37.136 -4.793 1.00 0.00 C ATOM 39 OE1 GLU A 3 -5.996 36.864 -3.630 1.00 0.00 O ATOM 40 OE2 GLU A 3 -7.338 36.938 -5.314 1.00 0.00 O ATOM 0 HA GLU A 3 -4.930 35.533 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.508 36.844 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.115 37.299 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.916 38.762 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.488 37.867 -6.678 1.00 0.00 H new ATOM 47 N CYS A 4 -2.562 33.752 -5.734 1.00 0.00 N ATOM 48 CA CYS A 4 -1.331 33.004 -6.114 1.00 0.00 C ATOM 49 C CYS A 4 -1.722 31.742 -6.889 1.00 0.00 C ATOM 50 O CYS A 4 -1.982 30.706 -6.309 1.00 0.00 O ATOM 51 CB CYS A 4 -0.547 32.598 -4.861 1.00 0.00 C ATOM 52 SG CYS A 4 -0.011 34.075 -3.964 1.00 0.00 S ATOM 0 H CYS A 4 -3.017 33.439 -4.876 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.707 33.647 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.170 31.977 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.319 31.998 -5.142 1.00 0.00 H new ATOM 57 N ASP A 5 -1.755 31.809 -8.193 1.00 0.00 N ATOM 58 CA ASP A 5 -2.117 30.607 -8.986 1.00 0.00 C ATOM 59 C ASP A 5 -0.838 29.827 -9.304 1.00 0.00 C ATOM 60 O ASP A 5 -0.835 28.909 -10.101 1.00 0.00 O ATOM 61 CB ASP A 5 -2.797 31.052 -10.283 1.00 0.00 C ATOM 62 CG ASP A 5 -3.419 29.838 -10.978 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.506 29.448 -10.586 1.00 0.00 O ATOM 64 OD2 ASP A 5 -2.797 29.318 -11.890 1.00 0.00 O ATOM 0 H ASP A 5 -1.547 32.645 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.801 29.970 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.566 31.794 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.071 31.529 -10.942 1.00 0.00 H new ATOM 69 N CYS A 6 0.251 30.196 -8.683 1.00 0.00 N ATOM 70 CA CYS A 6 1.543 29.499 -8.935 1.00 0.00 C ATOM 71 C CYS A 6 2.495 29.807 -7.773 1.00 0.00 C ATOM 72 O CYS A 6 2.280 30.731 -7.016 1.00 0.00 O ATOM 73 CB CYS A 6 2.123 30.014 -10.255 1.00 0.00 C ATOM 74 SG CYS A 6 3.898 29.658 -10.368 1.00 0.00 S ATOM 0 H CYS A 6 0.299 30.958 -8.006 1.00 0.00 H new ATOM 0 HA CYS A 6 1.401 28.421 -9.005 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.601 29.549 -11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.958 31.089 -10.334 1.00 0.00 H new ATOM 79 N SER A 7 3.542 29.043 -7.618 1.00 0.00 N ATOM 80 CA SER A 7 4.485 29.312 -6.496 1.00 0.00 C ATOM 81 C SER A 7 5.931 29.185 -6.984 1.00 0.00 C ATOM 82 O SER A 7 6.744 28.524 -6.368 1.00 0.00 O ATOM 83 CB SER A 7 4.242 28.303 -5.375 1.00 0.00 C ATOM 84 OG SER A 7 4.975 28.699 -4.223 1.00 0.00 O ATOM 0 H SER A 7 3.784 28.251 -8.214 1.00 0.00 H new ATOM 0 HA SER A 7 4.318 30.324 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.178 28.248 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.551 27.307 -5.693 1.00 0.00 H new ATOM 0 HG SER A 7 5.933 28.704 -4.431 1.00 0.00 H new ATOM 90 N SER A 8 6.264 29.810 -8.080 1.00 0.00 N ATOM 91 CA SER A 8 7.661 29.719 -8.590 1.00 0.00 C ATOM 92 C SER A 8 8.231 31.133 -8.769 1.00 0.00 C ATOM 93 O SER A 8 7.654 31.940 -9.471 1.00 0.00 O ATOM 94 CB SER A 8 7.664 28.995 -9.937 1.00 0.00 C ATOM 95 OG SER A 8 8.294 27.728 -9.786 1.00 0.00 O ATOM 0 H SER A 8 5.631 30.378 -8.643 1.00 0.00 H new ATOM 0 HA SER A 8 8.274 29.166 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.643 28.866 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.192 29.590 -10.682 1.00 0.00 H new ATOM 0 HG SER A 8 7.670 27.100 -9.366 1.00 0.00 H new ATOM 101 N PRO A 9 9.348 31.395 -8.131 1.00 0.00 N ATOM 102 CA PRO A 9 10.012 32.709 -8.208 1.00 0.00 C ATOM 103 C PRO A 9 10.781 32.852 -9.526 1.00 0.00 C ATOM 104 O PRO A 9 11.508 33.804 -9.730 1.00 0.00 O ATOM 105 CB PRO A 9 10.974 32.696 -7.017 1.00 0.00 C ATOM 106 CG PRO A 9 11.225 31.208 -6.677 1.00 0.00 C ATOM 107 CD PRO A 9 10.049 30.414 -7.277 1.00 0.00 C ATOM 0 HA PRO A 9 9.310 33.542 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.908 33.201 -7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.544 33.222 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.173 30.870 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.281 31.061 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.400 29.560 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.394 30.023 -6.498 1.00 0.00 H new ATOM 115 N GLU A 10 10.628 31.916 -10.422 1.00 0.00 N ATOM 116 CA GLU A 10 11.351 32.004 -11.722 1.00 0.00 C ATOM 117 C GLU A 10 10.519 31.321 -12.808 1.00 0.00 C ATOM 118 O GLU A 10 11.024 30.550 -13.600 1.00 0.00 O ATOM 119 CB GLU A 10 12.708 31.303 -11.600 1.00 0.00 C ATOM 120 CG GLU A 10 13.828 32.312 -11.860 1.00 0.00 C ATOM 121 CD GLU A 10 15.031 31.981 -10.976 1.00 0.00 C ATOM 122 OE1 GLU A 10 15.067 32.461 -9.854 1.00 0.00 O ATOM 123 OE2 GLU A 10 15.896 31.253 -11.434 1.00 0.00 O ATOM 0 H GLU A 10 10.034 31.094 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 10 11.507 33.050 -11.985 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.818 30.870 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.771 30.482 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.118 32.286 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.477 33.322 -11.651 1.00 0.00 H new ATOM 130 N ASN A 11 9.244 31.594 -12.846 1.00 0.00 N ATOM 131 CA ASN A 11 8.376 30.958 -13.875 1.00 0.00 C ATOM 132 C ASN A 11 7.775 32.043 -14.780 1.00 0.00 C ATOM 133 O ASN A 11 7.392 33.095 -14.307 1.00 0.00 O ATOM 134 CB ASN A 11 7.248 30.196 -13.176 1.00 0.00 C ATOM 135 CG ASN A 11 7.382 28.699 -13.464 1.00 0.00 C ATOM 136 OD1 ASN A 11 8.378 28.259 -14.002 1.00 0.00 O ATOM 137 ND2 ASN A 11 6.413 27.892 -13.124 1.00 0.00 N ATOM 0 H ASN A 11 8.766 32.231 -12.208 1.00 0.00 H new ATOM 0 HA ASN A 11 8.967 30.270 -14.480 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.287 30.374 -12.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.281 30.558 -13.525 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.493 26.892 -13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.576 28.261 -12.672 1.00 0.00 H new ATOM 144 N PRO A 12 7.709 31.753 -16.056 1.00 0.00 N ATOM 145 CA PRO A 12 7.157 32.689 -17.054 1.00 0.00 C ATOM 146 C PRO A 12 5.627 32.677 -17.003 1.00 0.00 C ATOM 147 O PRO A 12 4.984 33.708 -17.047 1.00 0.00 O ATOM 148 CB PRO A 12 7.667 32.134 -18.386 1.00 0.00 C ATOM 149 CG PRO A 12 7.989 30.640 -18.144 1.00 0.00 C ATOM 150 CD PRO A 12 8.175 30.470 -16.623 1.00 0.00 C ATOM 0 HA PRO A 12 7.458 33.724 -16.889 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.915 32.247 -19.167 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.554 32.674 -18.717 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.181 30.006 -18.509 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.892 30.346 -18.680 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.593 29.631 -16.242 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.217 30.277 -16.368 1.00 0.00 H new ATOM 158 N CYS A 13 5.040 31.517 -16.910 1.00 0.00 N ATOM 159 CA CYS A 13 3.553 31.431 -16.853 1.00 0.00 C ATOM 160 C CYS A 13 3.049 32.136 -15.599 1.00 0.00 C ATOM 161 O CYS A 13 1.944 32.639 -15.570 1.00 0.00 O ATOM 162 CB CYS A 13 3.130 29.962 -16.829 1.00 0.00 C ATOM 163 SG CYS A 13 3.603 29.180 -18.392 1.00 0.00 S ATOM 0 H CYS A 13 5.527 30.622 -16.871 1.00 0.00 H new ATOM 0 HA CYS A 13 3.125 31.915 -17.731 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.605 29.448 -15.993 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.053 29.884 -16.681 1.00 0.00 H new ATOM 168 N CYS A 14 3.838 32.190 -14.560 1.00 0.00 N ATOM 169 CA CYS A 14 3.358 32.878 -13.333 1.00 0.00 C ATOM 170 C CYS A 14 4.386 33.887 -12.831 1.00 0.00 C ATOM 171 O CYS A 14 5.576 33.641 -12.824 1.00 0.00 O ATOM 172 CB CYS A 14 3.052 31.857 -12.236 1.00 0.00 C ATOM 173 SG CYS A 14 4.544 30.934 -11.794 1.00 0.00 S ATOM 0 H CYS A 14 4.777 31.795 -14.509 1.00 0.00 H new ATOM 0 HA CYS A 14 2.444 33.416 -13.586 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.659 32.367 -11.356 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.279 31.168 -12.577 1.00 0.00 H new ATOM 178 N ASP A 15 3.916 35.027 -12.401 1.00 0.00 N ATOM 179 CA ASP A 15 4.831 36.078 -11.883 1.00 0.00 C ATOM 180 C ASP A 15 4.921 35.955 -10.362 1.00 0.00 C ATOM 181 O ASP A 15 3.916 35.936 -9.671 1.00 0.00 O ATOM 182 CB ASP A 15 4.275 37.457 -12.247 1.00 0.00 C ATOM 183 CG ASP A 15 4.250 37.617 -13.769 1.00 0.00 C ATOM 184 OD1 ASP A 15 4.440 36.625 -14.453 1.00 0.00 O ATOM 185 OD2 ASP A 15 4.040 38.730 -14.223 1.00 0.00 O ATOM 0 H ASP A 15 2.927 35.275 -12.387 1.00 0.00 H new ATOM 0 HA ASP A 15 5.821 35.956 -12.323 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.269 37.573 -11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.890 38.238 -11.800 1.00 0.00 H new ATOM 190 N ALA A 16 6.113 35.868 -9.837 1.00 0.00 N ATOM 191 CA ALA A 16 6.273 35.746 -8.361 1.00 0.00 C ATOM 192 C ALA A 16 5.778 37.027 -7.689 1.00 0.00 C ATOM 193 O ALA A 16 5.254 37.001 -6.595 1.00 0.00 O ATOM 194 CB ALA A 16 7.751 35.533 -8.024 1.00 0.00 C ATOM 0 H ALA A 16 6.984 35.876 -10.368 1.00 0.00 H new ATOM 0 HA ALA A 16 5.692 34.897 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.869 35.444 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.106 34.621 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.332 36.382 -8.383 1.00 0.00 H new ATOM 200 N ALA A 17 5.935 38.149 -8.339 1.00 0.00 N ATOM 201 CA ALA A 17 5.465 39.425 -7.733 1.00 0.00 C ATOM 202 C ALA A 17 4.019 39.254 -7.267 1.00 0.00 C ATOM 203 O ALA A 17 3.673 39.581 -6.150 1.00 0.00 O ATOM 204 CB ALA A 17 5.544 40.546 -8.772 1.00 0.00 C ATOM 0 H ALA A 17 6.367 38.236 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 17 6.095 39.683 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.200 41.480 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.575 40.662 -9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.913 40.296 -9.625 1.00 0.00 H new ATOM 210 N THR A 18 3.174 38.733 -8.114 1.00 0.00 N ATOM 211 CA THR A 18 1.754 38.525 -7.717 1.00 0.00 C ATOM 212 C THR A 18 1.463 37.024 -7.679 1.00 0.00 C ATOM 213 O THR A 18 0.323 36.602 -7.681 1.00 0.00 O ATOM 214 CB THR A 18 0.827 39.205 -8.729 1.00 0.00 C ATOM 215 OG1 THR A 18 0.990 38.597 -10.002 1.00 0.00 O ATOM 216 CG2 THR A 18 1.173 40.692 -8.822 1.00 0.00 C ATOM 0 H THR A 18 3.406 38.443 -9.064 1.00 0.00 H new ATOM 0 HA THR A 18 1.581 38.959 -6.732 1.00 0.00 H new ATOM 0 HB THR A 18 -0.208 39.096 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.396 39.030 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.513 41.175 -9.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.046 41.157 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.208 40.805 -9.145 1.00 0.00 H new ATOM 224 N CYS A 19 2.497 36.219 -7.648 1.00 0.00 N ATOM 225 CA CYS A 19 2.323 34.732 -7.605 1.00 0.00 C ATOM 226 C CYS A 19 1.147 34.300 -8.484 1.00 0.00 C ATOM 227 O CYS A 19 0.548 33.269 -8.259 1.00 0.00 O ATOM 228 CB CYS A 19 2.085 34.271 -6.157 1.00 0.00 C ATOM 229 SG CYS A 19 0.785 35.270 -5.386 1.00 0.00 S ATOM 0 H CYS A 19 3.467 36.533 -7.651 1.00 0.00 H new ATOM 0 HA CYS A 19 3.233 34.269 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.800 33.219 -6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.008 34.358 -5.584 1.00 0.00 H new ATOM 234 N LYS A 20 0.811 35.061 -9.486 1.00 0.00 N ATOM 235 CA LYS A 20 -0.335 34.662 -10.354 1.00 0.00 C ATOM 236 C LYS A 20 0.181 34.261 -11.730 1.00 0.00 C ATOM 237 O LYS A 20 1.327 33.892 -11.886 1.00 0.00 O ATOM 238 CB LYS A 20 -1.313 35.829 -10.488 1.00 0.00 C ATOM 239 CG LYS A 20 -2.742 35.332 -10.259 1.00 0.00 C ATOM 240 CD LYS A 20 -3.530 35.420 -11.567 1.00 0.00 C ATOM 241 CE LYS A 20 -4.935 35.955 -11.280 1.00 0.00 C ATOM 242 NZ LYS A 20 -4.844 37.368 -10.816 1.00 0.00 N ATOM 0 H LYS A 20 1.273 35.934 -9.742 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.851 33.815 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.068 36.607 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.227 36.276 -11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.727 34.303 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.228 35.931 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.016 36.075 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.592 34.437 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.549 35.895 -12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.421 35.342 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.680 37.894 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.802 37.390 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.986 37.807 -11.206 1.00 0.00 H new ATOM 256 N LEU A 21 -0.652 34.315 -12.733 1.00 0.00 N ATOM 257 CA LEU A 21 -0.180 33.918 -14.086 1.00 0.00 C ATOM 258 C LEU A 21 -0.568 34.912 -15.132 1.00 0.00 C ATOM 259 O LEU A 21 -1.340 35.828 -14.924 1.00 0.00 O ATOM 260 CB LEU A 21 -0.848 32.635 -14.548 1.00 0.00 C ATOM 261 CG LEU A 21 -0.079 31.417 -14.046 1.00 0.00 C ATOM 262 CD1 LEU A 21 -0.558 31.065 -12.647 1.00 0.00 C ATOM 263 CD2 LEU A 21 -0.342 30.232 -14.967 1.00 0.00 C ATOM 0 H LEU A 21 -1.626 34.613 -12.675 1.00 0.00 H new ATOM 0 HA LEU A 21 0.901 33.825 -13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.874 32.600 -14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.898 32.617 -15.637 1.00 0.00 H new ATOM 0 HG LEU A 21 0.987 31.644 -14.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.011 30.195 -12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.383 31.909 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.624 30.839 -12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.208 29.362 -14.607 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.409 30.008 -14.976 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.014 30.476 -15.977 1.00 0.00 H new ATOM 275 N ARG A 22 -0.097 34.640 -16.297 1.00 0.00 N ATOM 276 CA ARG A 22 -0.477 35.442 -17.451 1.00 0.00 C ATOM 277 C ARG A 22 -1.623 34.661 -18.109 1.00 0.00 C ATOM 278 O ARG A 22 -1.473 33.489 -18.376 1.00 0.00 O ATOM 279 CB ARG A 22 0.705 35.568 -18.417 1.00 0.00 C ATOM 280 CG ARG A 22 0.218 36.125 -19.755 1.00 0.00 C ATOM 281 CD ARG A 22 0.922 37.453 -20.039 1.00 0.00 C ATOM 282 NE ARG A 22 0.830 37.763 -21.494 1.00 0.00 N ATOM 283 CZ ARG A 22 1.350 38.867 -21.958 1.00 0.00 C ATOM 284 NH1 ARG A 22 1.642 39.843 -21.143 1.00 0.00 N ATOM 285 NH2 ARG A 22 1.578 38.992 -23.237 1.00 0.00 N ATOM 0 H ARG A 22 0.550 33.877 -16.496 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.773 36.454 -17.175 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.465 36.224 -17.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.172 34.594 -18.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.424 35.413 -20.554 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.862 36.271 -19.729 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.463 38.252 -19.456 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.967 37.396 -19.734 1.00 0.00 H new ATOM 0 HE ARG A 22 0.362 37.114 -22.126 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.464 39.743 -20.144 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.048 40.706 -21.505 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.350 38.228 -23.873 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.984 39.854 -23.601 1.00 0.00 H new ATOM 299 N PRO A 23 -2.724 35.323 -18.335 1.00 0.00 N ATOM 300 CA PRO A 23 -3.923 34.721 -18.958 1.00 0.00 C ATOM 301 C PRO A 23 -3.589 34.105 -20.318 1.00 0.00 C ATOM 302 O PRO A 23 -4.090 34.504 -21.351 1.00 0.00 O ATOM 303 CB PRO A 23 -4.905 35.901 -19.046 1.00 0.00 C ATOM 304 CG PRO A 23 -4.035 37.171 -18.922 1.00 0.00 C ATOM 305 CD PRO A 23 -2.862 36.739 -18.026 1.00 0.00 C ATOM 0 HA PRO A 23 -4.343 33.890 -18.392 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.450 35.889 -19.990 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.647 35.854 -18.249 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.687 37.512 -19.897 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.594 37.995 -18.477 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.952 37.294 -18.256 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.078 36.903 -16.970 1.00 0.00 H new ATOM 313 N GLY A 24 -2.746 33.112 -20.291 1.00 0.00 N ATOM 314 CA GLY A 24 -2.341 32.398 -21.528 1.00 0.00 C ATOM 315 C GLY A 24 -2.416 30.890 -21.259 1.00 0.00 C ATOM 316 O GLY A 24 -2.882 30.127 -22.082 1.00 0.00 O ATOM 0 H GLY A 24 -2.311 32.758 -19.439 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.997 32.669 -22.355 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.329 32.682 -21.817 1.00 0.00 H new ATOM 320 N ALA A 25 -1.968 30.452 -20.103 1.00 0.00 N ATOM 321 CA ALA A 25 -2.028 29.001 -19.782 1.00 0.00 C ATOM 322 C ALA A 25 -3.135 28.775 -18.749 1.00 0.00 C ATOM 323 O ALA A 25 -4.168 29.412 -18.788 1.00 0.00 O ATOM 324 CB ALA A 25 -0.681 28.555 -19.210 1.00 0.00 C ATOM 0 H ALA A 25 -1.565 31.041 -19.374 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.241 28.422 -20.681 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.720 27.492 -18.973 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.104 28.734 -19.945 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.465 29.121 -18.304 1.00 0.00 H new ATOM 330 N GLN A 26 -2.932 27.880 -17.823 1.00 0.00 N ATOM 331 CA GLN A 26 -3.982 27.632 -16.796 1.00 0.00 C ATOM 332 C GLN A 26 -3.349 27.646 -15.402 1.00 0.00 C ATOM 333 O GLN A 26 -3.966 28.044 -14.434 1.00 0.00 O ATOM 334 CB GLN A 26 -4.632 26.271 -17.049 1.00 0.00 C ATOM 335 CG GLN A 26 -6.094 26.470 -17.450 1.00 0.00 C ATOM 336 CD GLN A 26 -6.436 25.539 -18.614 1.00 0.00 C ATOM 337 OE1 GLN A 26 -7.476 24.911 -18.622 1.00 0.00 O ATOM 338 NE2 GLN A 26 -5.597 25.422 -19.608 1.00 0.00 N ATOM 0 H GLN A 26 -2.089 27.312 -17.733 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.740 28.413 -16.857 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.097 25.741 -17.837 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.571 25.655 -16.152 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.746 26.263 -16.601 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.265 27.507 -17.738 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.723 25.949 -19.603 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.815 24.804 -20.390 1.00 0.00 H new ATOM 347 N CYS A 27 -2.122 27.213 -15.291 1.00 0.00 N ATOM 348 CA CYS A 27 -1.455 27.200 -13.961 1.00 0.00 C ATOM 349 C CYS A 27 0.042 27.483 -14.138 1.00 0.00 C ATOM 350 O CYS A 27 0.578 27.409 -15.226 1.00 0.00 O ATOM 351 CB CYS A 27 -1.686 25.824 -13.298 1.00 0.00 C ATOM 352 SG CYS A 27 -0.137 24.894 -13.122 1.00 0.00 S ATOM 0 H CYS A 27 -1.554 26.868 -16.065 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.874 27.974 -13.318 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.139 25.965 -12.317 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.391 25.246 -13.895 1.00 0.00 H new ATOM 357 N GLY A 28 0.721 27.767 -13.063 1.00 0.00 N ATOM 358 CA GLY A 28 2.186 28.011 -13.143 1.00 0.00 C ATOM 359 C GLY A 28 2.898 26.826 -12.489 1.00 0.00 C ATOM 360 O GLY A 28 3.965 26.417 -12.901 1.00 0.00 O ATOM 0 H GLY A 28 0.321 27.841 -12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.499 28.117 -14.182 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.446 28.940 -12.635 1.00 0.00 H new ATOM 364 N GLU A 29 2.297 26.265 -11.471 1.00 0.00 N ATOM 365 CA GLU A 29 2.908 25.096 -10.778 1.00 0.00 C ATOM 366 C GLU A 29 1.799 24.122 -10.364 1.00 0.00 C ATOM 367 O GLU A 29 0.649 24.497 -10.247 1.00 0.00 O ATOM 368 CB GLU A 29 3.655 25.576 -9.533 1.00 0.00 C ATOM 369 CG GLU A 29 4.774 24.591 -9.193 1.00 0.00 C ATOM 370 CD GLU A 29 6.111 25.150 -9.684 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.322 25.159 -10.885 1.00 0.00 O ATOM 372 OE2 GLU A 29 6.902 25.559 -8.849 1.00 0.00 O ATOM 0 H GLU A 29 1.402 26.571 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 29 3.606 24.595 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.071 26.568 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.965 25.662 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.811 24.423 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.578 23.626 -9.660 1.00 0.00 H new ATOM 379 N GLY A 30 2.129 22.879 -10.135 1.00 0.00 N ATOM 380 CA GLY A 30 1.083 21.897 -9.722 1.00 0.00 C ATOM 381 C GLY A 30 1.427 20.509 -10.271 1.00 0.00 C ATOM 382 O GLY A 30 2.151 20.377 -11.238 1.00 0.00 O ATOM 0 H GLY A 30 3.073 22.502 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.014 21.861 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.108 22.213 -10.093 1.00 0.00 H new ATOM 386 N LEU A 31 0.909 19.475 -9.663 1.00 0.00 N ATOM 387 CA LEU A 31 1.202 18.096 -10.152 1.00 0.00 C ATOM 388 C LEU A 31 0.306 17.785 -11.351 1.00 0.00 C ATOM 389 O LEU A 31 0.751 17.270 -12.357 1.00 0.00 O ATOM 390 CB LEU A 31 0.918 17.082 -9.037 1.00 0.00 C ATOM 391 CG LEU A 31 1.198 15.660 -9.534 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.472 15.640 -10.385 1.00 0.00 C ATOM 393 CD2 LEU A 31 1.381 14.733 -8.330 1.00 0.00 C ATOM 0 H LEU A 31 0.296 19.526 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 31 2.250 18.032 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.540 17.301 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.120 17.165 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 31 0.358 15.322 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.661 14.624 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.347 16.300 -11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.316 15.981 -9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.581 13.720 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.219 15.081 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.473 14.737 -7.726 1.00 0.00 H new ATOM 405 N CYS A 32 -0.957 18.093 -11.247 1.00 0.00 N ATOM 406 CA CYS A 32 -1.891 17.818 -12.373 1.00 0.00 C ATOM 407 C CYS A 32 -1.904 19.009 -13.334 1.00 0.00 C ATOM 408 O CYS A 32 -2.928 19.369 -13.878 1.00 0.00 O ATOM 409 CB CYS A 32 -3.297 17.600 -11.815 1.00 0.00 C ATOM 410 SG CYS A 32 -3.210 16.463 -10.410 1.00 0.00 S ATOM 0 H CYS A 32 -1.383 18.525 -10.427 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.564 16.927 -12.909 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.729 18.551 -11.502 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.949 17.193 -12.588 1.00 0.00 H new ATOM 415 N CYS A 33 -0.772 19.619 -13.548 1.00 0.00 N ATOM 416 CA CYS A 33 -0.715 20.784 -14.473 1.00 0.00 C ATOM 417 C CYS A 33 0.645 20.788 -15.181 1.00 0.00 C ATOM 418 O CYS A 33 1.669 21.051 -14.583 1.00 0.00 O ATOM 419 CB CYS A 33 -0.918 22.077 -13.669 1.00 0.00 C ATOM 420 SG CYS A 33 -0.261 23.498 -14.566 1.00 0.00 S ATOM 0 H CYS A 33 0.118 19.360 -13.121 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.502 20.716 -15.224 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.980 22.225 -13.471 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.423 21.991 -12.702 1.00 0.00 H new ATOM 425 N GLU A 34 0.658 20.492 -16.454 1.00 0.00 N ATOM 426 CA GLU A 34 1.942 20.470 -17.207 1.00 0.00 C ATOM 427 C GLU A 34 1.900 21.533 -18.302 1.00 0.00 C ATOM 428 O GLU A 34 0.853 21.850 -18.833 1.00 0.00 O ATOM 429 CB GLU A 34 2.130 19.090 -17.838 1.00 0.00 C ATOM 430 CG GLU A 34 1.944 18.011 -16.771 1.00 0.00 C ATOM 431 CD GLU A 34 3.301 17.397 -16.425 1.00 0.00 C ATOM 432 OE1 GLU A 34 3.902 16.803 -17.304 1.00 0.00 O ATOM 433 OE2 GLU A 34 3.717 17.532 -15.286 1.00 0.00 O ATOM 0 H GLU A 34 -0.170 20.264 -17.005 1.00 0.00 H new ATOM 0 HA GLU A 34 2.772 20.677 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.411 18.946 -18.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.124 19.013 -18.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.489 18.441 -15.879 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.265 17.239 -17.134 1.00 0.00 H new ATOM 440 N GLN A 35 3.026 22.096 -18.642 1.00 0.00 N ATOM 441 CA GLN A 35 3.038 23.144 -19.698 1.00 0.00 C ATOM 442 C GLN A 35 2.158 24.309 -19.247 1.00 0.00 C ATOM 443 O GLN A 35 1.552 24.992 -20.048 1.00 0.00 O ATOM 444 CB GLN A 35 2.492 22.569 -21.009 1.00 0.00 C ATOM 445 CG GLN A 35 3.202 21.251 -21.328 1.00 0.00 C ATOM 446 CD GLN A 35 2.244 20.322 -22.075 1.00 0.00 C ATOM 447 OE1 GLN A 35 1.056 20.322 -21.818 1.00 0.00 O ATOM 448 NE2 GLN A 35 2.712 19.524 -22.996 1.00 0.00 N ATOM 0 H GLN A 35 3.935 21.876 -18.235 1.00 0.00 H new ATOM 0 HA GLN A 35 4.059 23.489 -19.860 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.418 22.404 -20.926 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.643 23.281 -21.821 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.088 21.441 -21.934 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.541 20.776 -20.407 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.709 19.524 -23.212 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.081 18.901 -23.500 1.00 0.00 H new ATOM 457 N CYS A 36 2.073 24.530 -17.963 1.00 0.00 N ATOM 458 CA CYS A 36 1.222 25.638 -17.447 1.00 0.00 C ATOM 459 C CYS A 36 -0.249 25.306 -17.708 1.00 0.00 C ATOM 460 O CYS A 36 -1.126 26.121 -17.503 1.00 0.00 O ATOM 461 CB CYS A 36 1.586 26.942 -18.158 1.00 0.00 C ATOM 462 SG CYS A 36 3.373 27.204 -18.048 1.00 0.00 S ATOM 0 H CYS A 36 2.558 23.989 -17.248 1.00 0.00 H new ATOM 0 HA CYS A 36 1.387 25.756 -16.376 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.277 26.899 -19.202 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.055 27.778 -17.703 1.00 0.00 H new ATOM 467 N LYS A 37 -0.525 24.111 -18.153 1.00 0.00 N ATOM 468 CA LYS A 37 -1.935 23.720 -18.423 1.00 0.00 C ATOM 469 C LYS A 37 -2.322 22.574 -17.488 1.00 0.00 C ATOM 470 O LYS A 37 -1.476 21.902 -16.932 1.00 0.00 O ATOM 471 CB LYS A 37 -2.069 23.269 -19.879 1.00 0.00 C ATOM 472 CG LYS A 37 -2.279 24.494 -20.772 1.00 0.00 C ATOM 473 CD LYS A 37 -1.282 24.459 -21.931 1.00 0.00 C ATOM 474 CE LYS A 37 -1.350 25.779 -22.704 1.00 0.00 C ATOM 475 NZ LYS A 37 -0.900 25.556 -24.107 1.00 0.00 N ATOM 0 H LYS A 37 0.168 23.387 -18.341 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.595 24.570 -18.251 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.174 22.729 -20.188 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.908 22.581 -19.983 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.299 24.506 -21.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.146 25.407 -20.192 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.273 24.299 -21.552 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.509 23.625 -22.595 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.369 26.166 -22.695 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.720 26.527 -22.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.946 26.452 -24.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.079 25.205 -24.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.519 24.855 -24.563 1.00 0.00 H new ATOM 489 N PHE A 38 -3.592 22.346 -17.303 1.00 0.00 N ATOM 490 CA PHE A 38 -4.023 21.244 -16.397 1.00 0.00 C ATOM 491 C PHE A 38 -3.730 19.895 -17.046 1.00 0.00 C ATOM 492 O PHE A 38 -3.655 19.776 -18.252 1.00 0.00 O ATOM 493 CB PHE A 38 -5.526 21.343 -16.141 1.00 0.00 C ATOM 494 CG PHE A 38 -5.853 22.685 -15.532 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.905 23.346 -14.741 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.105 23.268 -15.757 1.00 0.00 C ATOM 497 CE1 PHE A 38 -5.212 24.589 -14.175 1.00 0.00 C ATOM 498 CE2 PHE A 38 -7.411 24.510 -15.191 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.465 25.172 -14.400 1.00 0.00 C ATOM 0 H PHE A 38 -4.349 22.873 -17.738 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.478 21.331 -15.457 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.073 21.214 -17.075 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.844 20.543 -15.473 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.938 22.897 -14.568 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.836 22.759 -16.368 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.482 25.099 -13.564 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.378 24.958 -15.365 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.701 26.131 -13.964 1.00 0.00 H new ATOM 509 N SER A 39 -3.584 18.873 -16.252 1.00 0.00 N ATOM 510 CA SER A 39 -3.320 17.525 -16.819 1.00 0.00 C ATOM 511 C SER A 39 -4.660 16.873 -17.160 1.00 0.00 C ATOM 512 O SER A 39 -5.666 17.154 -16.543 1.00 0.00 O ATOM 513 CB SER A 39 -2.585 16.670 -15.786 1.00 0.00 C ATOM 514 OG SER A 39 -1.264 16.413 -16.245 1.00 0.00 O ATOM 0 H SER A 39 -3.636 18.914 -15.234 1.00 0.00 H new ATOM 0 HA SER A 39 -2.704 17.609 -17.714 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.555 17.185 -14.826 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.117 15.732 -15.628 1.00 0.00 H new ATOM 0 HG SER A 39 -0.698 16.158 -15.487 1.00 0.00 H new ATOM 520 N ARG A 40 -4.686 16.014 -18.137 1.00 0.00 N ATOM 521 CA ARG A 40 -5.969 15.353 -18.513 1.00 0.00 C ATOM 522 C ARG A 40 -6.518 14.581 -17.310 1.00 0.00 C ATOM 523 O ARG A 40 -5.823 14.344 -16.342 1.00 0.00 O ATOM 524 CB ARG A 40 -5.724 14.386 -19.671 1.00 0.00 C ATOM 525 CG ARG A 40 -5.249 15.166 -20.897 1.00 0.00 C ATOM 526 CD ARG A 40 -3.756 14.914 -21.115 1.00 0.00 C ATOM 527 NE ARG A 40 -3.129 16.129 -21.704 1.00 0.00 N ATOM 528 CZ ARG A 40 -2.007 16.028 -22.363 1.00 0.00 C ATOM 529 NH1 ARG A 40 -1.129 15.124 -22.023 1.00 0.00 N ATOM 530 NH2 ARG A 40 -1.763 16.833 -23.359 1.00 0.00 N ATOM 0 H ARG A 40 -3.876 15.739 -18.693 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.691 16.110 -18.819 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.977 13.644 -19.387 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.640 13.843 -19.905 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.813 14.859 -21.778 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.432 16.231 -20.757 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.276 14.666 -20.168 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.613 14.060 -21.778 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.576 17.039 -21.593 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.320 14.496 -21.242 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.252 15.045 -22.538 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.449 17.541 -23.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.886 16.755 -23.875 1.00 0.00 H new ATOM 544 N ALA A 41 -7.762 14.189 -17.364 1.00 0.00 N ATOM 545 CA ALA A 41 -8.358 13.436 -16.225 1.00 0.00 C ATOM 546 C ALA A 41 -7.666 12.080 -16.090 1.00 0.00 C ATOM 547 O ALA A 41 -7.044 11.594 -17.014 1.00 0.00 O ATOM 548 CB ALA A 41 -9.851 13.224 -16.482 1.00 0.00 C ATOM 0 H ALA A 41 -8.391 14.358 -18.149 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.224 14.004 -15.304 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.289 12.673 -15.650 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.345 14.191 -16.577 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.985 12.656 -17.403 1.00 0.00 H new ATOM 554 N GLY A 42 -7.766 11.469 -14.943 1.00 0.00 N ATOM 555 CA GLY A 42 -7.110 10.148 -14.746 1.00 0.00 C ATOM 556 C GLY A 42 -5.594 10.339 -14.686 1.00 0.00 C ATOM 557 O GLY A 42 -4.834 9.427 -14.941 1.00 0.00 O ATOM 0 H GLY A 42 -8.273 11.827 -14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.466 9.686 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.371 9.474 -15.562 1.00 0.00 H new ATOM 561 N LYS A 43 -5.144 11.520 -14.350 1.00 0.00 N ATOM 562 CA LYS A 43 -3.673 11.757 -14.278 1.00 0.00 C ATOM 563 C LYS A 43 -3.141 11.270 -12.928 1.00 0.00 C ATOM 564 O LYS A 43 -3.473 11.805 -11.889 1.00 0.00 O ATOM 565 CB LYS A 43 -3.382 13.252 -14.435 1.00 0.00 C ATOM 566 CG LYS A 43 -1.905 13.522 -14.135 1.00 0.00 C ATOM 567 CD LYS A 43 -1.032 12.622 -15.011 1.00 0.00 C ATOM 568 CE LYS A 43 0.440 12.994 -14.819 1.00 0.00 C ATOM 569 NZ LYS A 43 1.214 12.604 -16.031 1.00 0.00 N ATOM 0 H LYS A 43 -5.728 12.325 -14.124 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.180 11.209 -15.081 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.623 13.575 -15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.012 13.829 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.670 14.569 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.697 13.334 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.191 11.576 -14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.313 12.734 -16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.535 14.065 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.842 12.490 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.214 12.857 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.133 11.578 -16.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.836 13.105 -16.860 1.00 0.00 H new ATOM 583 N ILE A 44 -2.317 10.258 -12.937 1.00 0.00 N ATOM 584 CA ILE A 44 -1.765 9.733 -11.656 1.00 0.00 C ATOM 585 C ILE A 44 -0.936 10.820 -10.969 1.00 0.00 C ATOM 586 O ILE A 44 0.057 11.283 -11.493 1.00 0.00 O ATOM 587 CB ILE A 44 -0.874 8.524 -11.941 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.745 7.340 -12.370 1.00 0.00 C ATOM 589 CG2 ILE A 44 -0.093 8.156 -10.678 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.486 6.780 -11.155 1.00 0.00 C ATOM 0 H ILE A 44 -2.002 9.772 -13.777 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.588 9.437 -11.005 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.174 8.767 -12.740 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.459 7.658 -13.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.125 6.564 -12.820 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.542 7.294 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.527 9.000 -10.375 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.791 7.912 -9.877 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.105 5.937 -11.463 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.764 6.446 -10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.118 7.557 -10.725 1.00 0.00 H new ATOM 602 N CYS A 45 -1.338 11.226 -9.798 1.00 0.00 N ATOM 603 CA CYS A 45 -0.577 12.280 -9.070 1.00 0.00 C ATOM 604 C CYS A 45 0.038 11.679 -7.803 1.00 0.00 C ATOM 605 O CYS A 45 0.836 12.304 -7.133 1.00 0.00 O ATOM 606 CB CYS A 45 -1.525 13.415 -8.691 1.00 0.00 C ATOM 607 SG CYS A 45 -3.051 12.724 -8.008 1.00 0.00 S ATOM 0 H CYS A 45 -2.162 10.873 -9.312 1.00 0.00 H new ATOM 0 HA CYS A 45 0.217 12.668 -9.708 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.051 14.070 -7.960 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.749 14.024 -9.567 1.00 0.00 H new ATOM 612 N ARG A 46 -0.326 10.470 -7.468 1.00 0.00 N ATOM 613 CA ARG A 46 0.240 9.834 -6.246 1.00 0.00 C ATOM 614 C ARG A 46 0.082 8.325 -6.326 1.00 0.00 C ATOM 615 O ARG A 46 -0.907 7.807 -6.804 1.00 0.00 O ATOM 616 CB ARG A 46 -0.481 10.361 -5.005 1.00 0.00 C ATOM 617 CG ARG A 46 0.459 11.277 -4.219 1.00 0.00 C ATOM 618 CD ARG A 46 -0.253 12.597 -3.917 1.00 0.00 C ATOM 619 NE ARG A 46 0.737 13.592 -3.417 1.00 0.00 N ATOM 620 CZ ARG A 46 1.156 14.545 -4.203 1.00 0.00 C ATOM 621 NH1 ARG A 46 0.391 15.574 -4.446 1.00 0.00 N ATOM 622 NH2 ARG A 46 2.338 14.468 -4.748 1.00 0.00 N ATOM 0 H ARG A 46 -0.990 9.897 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 46 1.300 10.080 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.378 10.907 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.804 9.530 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.763 10.794 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.367 11.464 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.741 12.974 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.034 12.439 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 46 1.087 13.528 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.534 15.633 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.719 16.319 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.935 13.663 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.666 15.213 -5.363 1.00 0.00 H new ATOM 636 N ILE A 47 1.071 7.624 -5.865 1.00 0.00 N ATOM 637 CA ILE A 47 1.029 6.146 -5.906 1.00 0.00 C ATOM 638 C ILE A 47 1.668 5.603 -4.617 1.00 0.00 C ATOM 639 O ILE A 47 2.862 5.729 -4.427 1.00 0.00 O ATOM 640 CB ILE A 47 1.816 5.692 -7.140 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.877 5.638 -8.348 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.423 4.316 -6.905 1.00 0.00 C ATOM 643 CD1 ILE A 47 -0.051 4.429 -8.225 1.00 0.00 C ATOM 0 H ILE A 47 1.918 8.019 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 47 0.007 5.773 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 47 2.621 6.403 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.290 6.555 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.457 5.572 -9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.979 4.007 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.097 4.357 -6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.628 3.597 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.718 4.393 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.544 3.516 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.641 4.514 -7.312 1.00 0.00 H new ATOM 755 N ASP A 54 -5.039 3.959 -7.366 1.00 0.00 N ATOM 756 CA ASP A 54 -3.989 5.006 -7.504 1.00 0.00 C ATOM 757 C ASP A 54 -4.642 6.388 -7.515 1.00 0.00 C ATOM 758 O ASP A 54 -5.760 6.553 -7.960 1.00 0.00 O ATOM 759 CB ASP A 54 -3.226 4.795 -8.813 1.00 0.00 C ATOM 760 CG ASP A 54 -2.883 3.312 -8.969 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.349 2.745 -8.030 1.00 0.00 O ATOM 762 OD2 ASP A 54 -3.161 2.769 -10.026 1.00 0.00 O ATOM 0 HA ASP A 54 -3.298 4.937 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.829 5.131 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.314 5.393 -8.816 1.00 0.00 H new ATOM 767 N ASP A 55 -3.953 7.383 -7.029 1.00 0.00 N ATOM 768 CA ASP A 55 -4.533 8.753 -7.013 1.00 0.00 C ATOM 769 C ASP A 55 -4.423 9.369 -8.409 1.00 0.00 C ATOM 770 O ASP A 55 -3.341 9.590 -8.917 1.00 0.00 O ATOM 771 CB ASP A 55 -3.767 9.619 -6.010 1.00 0.00 C ATOM 772 CG ASP A 55 -4.269 9.327 -4.595 1.00 0.00 C ATOM 773 OD1 ASP A 55 -3.723 8.433 -3.967 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.189 10.000 -4.163 1.00 0.00 O ATOM 0 H ASP A 55 -3.012 7.305 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.582 8.701 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.699 9.414 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.904 10.674 -6.245 1.00 0.00 H new ATOM 779 N ARG A 56 -5.533 9.649 -9.033 1.00 0.00 N ATOM 780 CA ARG A 56 -5.491 10.252 -10.396 1.00 0.00 C ATOM 781 C ARG A 56 -6.149 11.633 -10.358 1.00 0.00 C ATOM 782 O ARG A 56 -7.065 11.872 -9.597 1.00 0.00 O ATOM 783 CB ARG A 56 -6.242 9.350 -11.376 1.00 0.00 C ATOM 784 CG ARG A 56 -5.419 8.088 -11.645 1.00 0.00 C ATOM 785 CD ARG A 56 -6.129 7.225 -12.688 1.00 0.00 C ATOM 786 NE ARG A 56 -7.588 7.187 -12.390 1.00 0.00 N ATOM 787 CZ ARG A 56 -8.031 6.486 -11.383 1.00 0.00 C ATOM 788 NH1 ARG A 56 -7.525 5.308 -11.135 1.00 0.00 N ATOM 789 NH2 ARG A 56 -8.979 6.963 -10.622 1.00 0.00 N ATOM 0 H ARG A 56 -6.468 9.487 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.455 10.352 -10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.215 9.081 -10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.425 9.883 -12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.424 8.359 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.286 7.525 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.961 7.630 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.719 6.215 -12.680 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.241 7.709 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.784 4.936 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.871 4.760 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.373 7.884 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.325 6.415 -9.835 1.00 0.00 H new ATOM 803 N CYS A 57 -5.689 12.546 -11.169 1.00 0.00 N ATOM 804 CA CYS A 57 -6.290 13.912 -11.168 1.00 0.00 C ATOM 805 C CYS A 57 -7.618 13.900 -11.923 1.00 0.00 C ATOM 806 O CYS A 57 -7.824 13.111 -12.826 1.00 0.00 O ATOM 807 CB CYS A 57 -5.341 14.895 -11.852 1.00 0.00 C ATOM 808 SG CYS A 57 -3.667 14.665 -11.208 1.00 0.00 S ATOM 0 H CYS A 57 -4.925 12.407 -11.831 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.459 14.218 -10.136 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.352 14.737 -12.930 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.672 15.919 -11.676 1.00 0.00 H new ATOM 813 N THR A 58 -8.516 14.781 -11.560 1.00 0.00 N ATOM 814 CA THR A 58 -9.835 14.842 -12.250 1.00 0.00 C ATOM 815 C THR A 58 -9.648 15.368 -13.672 1.00 0.00 C ATOM 816 O THR A 58 -10.572 15.395 -14.460 1.00 0.00 O ATOM 817 CB THR A 58 -10.771 15.779 -11.482 1.00 0.00 C ATOM 818 OG1 THR A 58 -10.371 17.125 -11.698 1.00 0.00 O ATOM 819 CG2 THR A 58 -10.709 15.459 -9.988 1.00 0.00 C ATOM 0 H THR A 58 -8.389 15.462 -10.812 1.00 0.00 H new ATOM 0 HA THR A 58 -10.268 13.842 -12.287 1.00 0.00 H new ATOM 0 HB THR A 58 -11.793 15.641 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.970 17.727 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.376 16.128 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.018 14.427 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.689 15.594 -9.629 1.00 0.00 H new ATOM 827 N GLY A 59 -8.462 15.790 -14.006 1.00 0.00 N ATOM 828 CA GLY A 59 -8.221 16.317 -15.376 1.00 0.00 C ATOM 829 C GLY A 59 -8.427 17.831 -15.377 1.00 0.00 C ATOM 830 O GLY A 59 -7.818 18.551 -16.143 1.00 0.00 O ATOM 0 H GLY A 59 -7.649 15.793 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.208 16.076 -15.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.902 15.845 -16.085 1.00 0.00 H new ATOM 834 N GLN A 60 -9.281 18.318 -14.522 1.00 0.00 N ATOM 835 CA GLN A 60 -9.527 19.784 -14.468 1.00 0.00 C ATOM 836 C GLN A 60 -8.738 20.389 -13.306 1.00 0.00 C ATOM 837 O GLN A 60 -8.535 21.585 -13.238 1.00 0.00 O ATOM 838 CB GLN A 60 -11.022 20.042 -14.265 1.00 0.00 C ATOM 839 CG GLN A 60 -11.829 18.990 -15.032 1.00 0.00 C ATOM 840 CD GLN A 60 -13.280 19.455 -15.168 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.919 19.206 -16.172 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.832 20.125 -14.194 1.00 0.00 N ATOM 0 H GLN A 60 -9.820 17.763 -13.857 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.205 20.244 -15.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.268 20.003 -13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.281 21.041 -14.615 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.393 18.831 -16.018 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.790 18.035 -14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.297 20.334 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.799 20.439 -14.275 1.00 0.00 H new ATOM 851 N SER A 61 -8.292 19.573 -12.387 1.00 0.00 N ATOM 852 CA SER A 61 -7.517 20.111 -11.231 1.00 0.00 C ATOM 853 C SER A 61 -6.056 20.321 -11.641 1.00 0.00 C ATOM 854 O SER A 61 -5.502 19.561 -12.410 1.00 0.00 O ATOM 855 CB SER A 61 -7.582 19.121 -10.069 1.00 0.00 C ATOM 856 OG SER A 61 -7.567 19.838 -8.841 1.00 0.00 O ATOM 0 H SER A 61 -8.430 18.562 -12.387 1.00 0.00 H new ATOM 0 HA SER A 61 -7.946 21.065 -10.923 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.487 18.517 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.737 18.434 -10.113 1.00 0.00 H new ATOM 0 HG SER A 61 -7.610 19.206 -8.093 1.00 0.00 H new ATOM 862 N ALA A 62 -5.427 21.347 -11.129 1.00 0.00 N ATOM 863 CA ALA A 62 -4.003 21.604 -11.487 1.00 0.00 C ATOM 864 C ALA A 62 -3.095 20.803 -10.552 1.00 0.00 C ATOM 865 O ALA A 62 -2.146 20.180 -10.981 1.00 0.00 O ATOM 866 CB ALA A 62 -3.701 23.097 -11.342 1.00 0.00 C ATOM 0 H ALA A 62 -5.839 22.017 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.824 21.299 -12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.660 23.285 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.351 23.666 -12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.877 23.405 -10.312 1.00 0.00 H new ATOM 872 N ASP A 63 -3.381 20.811 -9.279 1.00 0.00 N ATOM 873 CA ASP A 63 -2.538 20.041 -8.319 1.00 0.00 C ATOM 874 C ASP A 63 -3.315 18.811 -7.850 1.00 0.00 C ATOM 875 O ASP A 63 -4.470 18.634 -8.185 1.00 0.00 O ATOM 876 CB ASP A 63 -2.174 20.911 -7.105 1.00 0.00 C ATOM 877 CG ASP A 63 -3.043 22.172 -7.075 1.00 0.00 C ATOM 878 OD1 ASP A 63 -4.240 22.039 -6.885 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.494 23.249 -7.241 1.00 0.00 O ATOM 0 H ASP A 63 -4.162 21.317 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.618 19.736 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.315 20.342 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.121 21.188 -7.150 1.00 0.00 H new ATOM 884 N CYS A 64 -2.695 17.957 -7.084 1.00 0.00 N ATOM 885 CA CYS A 64 -3.409 16.740 -6.608 1.00 0.00 C ATOM 886 C CYS A 64 -3.645 16.826 -5.103 1.00 0.00 C ATOM 887 O CYS A 64 -2.718 17.001 -4.337 1.00 0.00 O ATOM 888 CB CYS A 64 -2.578 15.497 -6.919 1.00 0.00 C ATOM 889 SG CYS A 64 -3.551 14.018 -6.544 1.00 0.00 S ATOM 0 H CYS A 64 -1.729 18.048 -6.768 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.369 16.674 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.283 15.496 -7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.661 15.502 -6.330 1.00 0.00 H new ATOM 894 N PRO A 65 -4.889 16.689 -4.727 1.00 0.00 N ATOM 895 CA PRO A 65 -5.297 16.733 -3.321 1.00 0.00 C ATOM 896 C PRO A 65 -5.007 15.389 -2.645 1.00 0.00 C ATOM 897 O PRO A 65 -4.183 14.620 -3.100 1.00 0.00 O ATOM 898 CB PRO A 65 -6.800 16.995 -3.401 1.00 0.00 C ATOM 899 CG PRO A 65 -7.263 16.537 -4.799 1.00 0.00 C ATOM 900 CD PRO A 65 -6.008 16.480 -5.675 1.00 0.00 C ATOM 0 HA PRO A 65 -4.769 17.486 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.329 16.448 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.016 18.053 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.745 15.561 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.994 17.232 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.923 15.521 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.026 17.251 -6.446 1.00 0.00 H new