USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 25 GLN : amide:sc= -0.0074 K(o=-0.63,f=-2.6) USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -1.18 F(o=-1.6,f=-0.63) USER MOD Set 1.3: A 62 SER OG : rot -104:sc= 0.556 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -0.441 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 11 CYS SG : rot 100:sc= -2.52 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 52:sc= -0.226 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 41 TYR OH : rot 50:sc= -1.7 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 151:sc= -0.887 (180deg=-2.41!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 122:sc= 1.16 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 150:sc= 0.0225 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 17:sc= 0.524 USER MOD Single : A 79 GLN : amide:sc= -0.0156 K(o=-0.016,f=-3.7!) USER MOD Single : A 82 SER OG : rot 32:sc= 0.449 USER MOD Single : A 90 SER OG : rot 140:sc= 0.0132 USER MOD Single : A 95 CYS SG : rot -139:sc= -0.274 USER MOD Single : A 97 THR OG1 : rot -158:sc= 0.97 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.595 -13.329 0.262 1.00 0.00 N ATOM 67 CA PRO A 8 -10.489 -13.580 -0.668 1.00 0.00 C ATOM 68 C PRO A 8 -9.225 -14.043 0.048 1.00 0.00 C ATOM 69 O PRO A 8 -9.199 -14.155 1.273 1.00 0.00 O ATOM 70 CB PRO A 8 -10.264 -12.216 -1.325 1.00 0.00 C ATOM 71 CG PRO A 8 -10.765 -11.228 -0.331 1.00 0.00 C ATOM 72 CD PRO A 8 -11.914 -11.895 0.374 1.00 0.00 C ATOM 0 HA PRO A 8 -10.722 -14.376 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.209 -12.053 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.805 -12.137 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.981 -10.953 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.088 -10.310 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.985 -11.579 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.868 -11.657 -0.097 1.00 0.00 H new ATOM 80 N ASP A 9 -8.178 -14.310 -0.726 1.00 0.00 N ATOM 81 CA ASP A 9 -6.909 -14.760 -0.166 1.00 0.00 C ATOM 82 C ASP A 9 -6.050 -13.573 0.255 1.00 0.00 C ATOM 83 O ASP A 9 -6.269 -12.448 -0.192 1.00 0.00 O ATOM 84 CB ASP A 9 -6.154 -15.617 -1.183 1.00 0.00 C ATOM 85 CG ASP A 9 -6.542 -17.081 -1.107 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.852 -17.557 0.006 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.537 -17.751 -2.161 1.00 0.00 O ATOM 0 H ASP A 9 -8.183 -14.223 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.123 -15.362 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.352 -15.243 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.082 -15.519 -1.012 1.00 0.00 H new ATOM 92 N GLN A 10 -5.072 -13.833 1.118 1.00 0.00 N ATOM 93 CA GLN A 10 -4.182 -12.783 1.600 1.00 0.00 C ATOM 94 C GLN A 10 -3.741 -11.876 0.457 1.00 0.00 C ATOM 95 O GLN A 10 -3.653 -12.307 -0.693 1.00 0.00 O ATOM 96 CB GLN A 10 -2.957 -13.398 2.280 1.00 0.00 C ATOM 97 CG GLN A 10 -2.069 -12.378 2.975 1.00 0.00 C ATOM 98 CD GLN A 10 -0.730 -12.954 3.387 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.537 -14.170 3.387 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.206 -12.081 3.741 1.00 0.00 N ATOM 0 H GLN A 10 -4.876 -14.760 1.497 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.729 -12.182 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.290 -14.135 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.368 -13.932 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.906 -11.530 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.583 -11.996 3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.003 -11.082 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.128 -12.410 4.028 1.00 0.00 H new ATOM 109 N CYS A 11 -3.465 -10.616 0.780 1.00 0.00 N ATOM 110 CA CYS A 11 -3.035 -9.646 -0.220 1.00 0.00 C ATOM 111 C CYS A 11 -1.514 -9.607 -0.319 1.00 0.00 C ATOM 112 O CYS A 11 -0.817 -9.498 0.691 1.00 0.00 O ATOM 113 CB CYS A 11 -3.573 -8.257 0.122 1.00 0.00 C ATOM 114 SG CYS A 11 -5.369 -8.186 0.312 1.00 0.00 S ATOM 0 H CYS A 11 -3.532 -10.243 1.727 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.436 -9.954 -1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.107 -7.916 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.274 -7.560 -0.661 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.673 -8.208 1.576 1.00 0.00 H new ATOM 120 N LYS A 12 -1.002 -9.696 -1.543 1.00 0.00 N ATOM 121 CA LYS A 12 0.437 -9.671 -1.774 1.00 0.00 C ATOM 122 C LYS A 12 0.998 -8.269 -1.560 1.00 0.00 C ATOM 123 O LYS A 12 0.303 -7.265 -1.718 1.00 0.00 O ATOM 124 CB LYS A 12 0.754 -10.147 -3.194 1.00 0.00 C ATOM 125 CG LYS A 12 0.608 -11.648 -3.379 1.00 0.00 C ATOM 126 CD LYS A 12 1.853 -12.388 -2.921 1.00 0.00 C ATOM 127 CE LYS A 12 2.885 -12.486 -4.034 1.00 0.00 C ATOM 128 NZ LYS A 12 4.225 -12.877 -3.515 1.00 0.00 N ATOM 0 H LYS A 12 -1.563 -9.786 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 12 0.907 -10.345 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.093 -9.637 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.773 -9.856 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.255 -12.003 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.417 -11.870 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.288 -11.874 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.580 -13.389 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.554 -13.216 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.960 -11.526 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.900 -12.933 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.552 -12.167 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.160 -13.804 -3.049 1.00 0.00 H new ATOM 142 N PRO A 13 2.285 -8.196 -1.193 1.00 0.00 N ATOM 143 CA PRO A 13 2.969 -6.922 -0.951 1.00 0.00 C ATOM 144 C PRO A 13 3.189 -6.129 -2.235 1.00 0.00 C ATOM 145 O PRO A 13 3.686 -6.646 -3.234 1.00 0.00 O ATOM 146 CB PRO A 13 4.310 -7.346 -0.349 1.00 0.00 C ATOM 147 CG PRO A 13 4.537 -8.726 -0.864 1.00 0.00 C ATOM 148 CD PRO A 13 3.174 -9.351 -0.985 1.00 0.00 C ATOM 0 HA PRO A 13 2.386 -6.264 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.111 -6.673 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.278 -7.330 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.044 -8.704 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.170 -9.297 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.126 -10.050 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.906 -9.907 -0.087 1.00 0.00 H new ATOM 156 N PRO A 14 2.809 -4.842 -2.209 1.00 0.00 N ATOM 157 CA PRO A 14 2.956 -3.951 -3.363 1.00 0.00 C ATOM 158 C PRO A 14 4.415 -3.617 -3.655 1.00 0.00 C ATOM 159 O PRO A 14 5.307 -3.964 -2.881 1.00 0.00 O ATOM 160 CB PRO A 14 2.194 -2.693 -2.939 1.00 0.00 C ATOM 161 CG PRO A 14 2.234 -2.710 -1.450 1.00 0.00 C ATOM 162 CD PRO A 14 2.207 -4.160 -1.051 1.00 0.00 C ATOM 0 HA PRO A 14 2.580 -4.405 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.663 -1.793 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.168 -2.708 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.134 -2.220 -1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.383 -2.174 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.777 -4.337 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.191 -4.507 -0.864 1.00 0.00 H new ATOM 170 N GLN A 15 4.651 -2.941 -4.776 1.00 0.00 N ATOM 171 CA GLN A 15 6.002 -2.560 -5.169 1.00 0.00 C ATOM 172 C GLN A 15 6.206 -1.055 -5.031 1.00 0.00 C ATOM 173 O GLN A 15 5.554 -0.265 -5.714 1.00 0.00 O ATOM 174 CB GLN A 15 6.278 -2.995 -6.609 1.00 0.00 C ATOM 175 CG GLN A 15 7.577 -2.442 -7.172 1.00 0.00 C ATOM 176 CD GLN A 15 7.898 -2.994 -8.547 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.199 -2.714 -9.521 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.962 -3.785 -8.634 1.00 0.00 N ATOM 0 H GLN A 15 3.924 -2.646 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 15 6.703 -3.065 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.307 -4.084 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.451 -2.673 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.511 -1.355 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.394 -2.678 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.514 -3.991 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.227 -4.186 -9.534 1.00 0.00 H new ATOM 187 N VAL A 16 7.113 -0.665 -4.141 1.00 0.00 N ATOM 188 CA VAL A 16 7.404 0.745 -3.914 1.00 0.00 C ATOM 189 C VAL A 16 8.515 1.234 -4.838 1.00 0.00 C ATOM 190 O VAL A 16 9.437 0.487 -5.168 1.00 0.00 O ATOM 191 CB VAL A 16 7.816 1.005 -2.452 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.598 0.973 -1.541 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.854 -0.011 -2.004 1.00 0.00 C ATOM 0 H VAL A 16 7.659 -1.306 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 16 6.488 1.295 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 16 8.261 1.998 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.908 1.159 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.891 1.742 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.121 -0.005 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.134 0.187 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.437 -1.015 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.736 0.066 -2.640 1.00 0.00 H new ATOM 203 N THR A 17 8.420 2.494 -5.252 1.00 0.00 N ATOM 204 CA THR A 17 9.415 3.082 -6.139 1.00 0.00 C ATOM 205 C THR A 17 9.684 4.538 -5.775 1.00 0.00 C ATOM 206 O THR A 17 8.830 5.405 -5.972 1.00 0.00 O ATOM 207 CB THR A 17 8.972 3.007 -7.611 1.00 0.00 C ATOM 208 OG1 THR A 17 8.829 1.639 -8.011 1.00 0.00 O ATOM 209 CG2 THR A 17 9.977 3.702 -8.517 1.00 0.00 C ATOM 0 H THR A 17 7.664 3.126 -4.987 1.00 0.00 H new ATOM 0 HA THR A 17 10.330 2.503 -6.014 1.00 0.00 H new ATOM 0 HB THR A 17 8.012 3.515 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.545 1.600 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.641 3.635 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.062 4.750 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.949 3.219 -8.419 1.00 0.00 H new ATOM 217 N CYS A 18 10.872 4.801 -5.243 1.00 0.00 N ATOM 218 CA CYS A 18 11.252 6.153 -4.850 1.00 0.00 C ATOM 219 C CYS A 18 11.458 7.037 -6.077 1.00 0.00 C ATOM 220 O CYS A 18 12.591 7.305 -6.478 1.00 0.00 O ATOM 221 CB CYS A 18 12.529 6.123 -4.008 1.00 0.00 C ATOM 222 SG CYS A 18 13.935 5.333 -4.826 1.00 0.00 S ATOM 0 H CYS A 18 11.589 4.096 -5.074 1.00 0.00 H new ATOM 0 HA CYS A 18 10.442 6.573 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.802 7.145 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.324 5.598 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 18 14.106 5.862 -6.001 1.00 0.00 H new ATOM 228 N ARG A 19 10.356 7.487 -6.668 1.00 0.00 N ATOM 229 CA ARG A 19 10.416 8.338 -7.850 1.00 0.00 C ATOM 230 C ARG A 19 11.441 9.453 -7.666 1.00 0.00 C ATOM 231 O ARG A 19 12.122 9.847 -8.613 1.00 0.00 O ATOM 232 CB ARG A 19 9.040 8.939 -8.142 1.00 0.00 C ATOM 233 CG ARG A 19 7.957 7.898 -8.375 1.00 0.00 C ATOM 234 CD ARG A 19 8.188 7.134 -9.669 1.00 0.00 C ATOM 235 NE ARG A 19 7.733 7.883 -10.836 1.00 0.00 N ATOM 236 CZ ARG A 19 8.498 8.738 -11.506 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.751 8.947 -11.127 1.00 0.00 N ATOM 238 NH2 ARG A 19 8.011 9.383 -12.559 1.00 0.00 N ATOM 0 H ARG A 19 9.411 7.276 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 19 10.723 7.722 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.747 9.576 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.112 9.579 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.936 7.200 -7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.983 8.386 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.250 6.911 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.664 6.179 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 19 6.774 7.742 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.129 8.451 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.337 9.604 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.048 9.223 -12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.600 10.039 -13.072 1.00 0.00 H new ATOM 252 N SER A 20 11.544 9.958 -6.441 1.00 0.00 N ATOM 253 CA SER A 20 12.483 11.031 -6.133 1.00 0.00 C ATOM 254 C SER A 20 12.727 11.124 -4.630 1.00 0.00 C ATOM 255 O SER A 20 12.225 10.310 -3.856 1.00 0.00 O ATOM 256 CB SER A 20 11.954 12.366 -6.660 1.00 0.00 C ATOM 257 OG SER A 20 13.018 13.255 -6.956 1.00 0.00 O ATOM 0 H SER A 20 10.989 9.642 -5.646 1.00 0.00 H new ATOM 0 HA SER A 20 13.430 10.805 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.358 12.196 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.294 12.817 -5.919 1.00 0.00 H new ATOM 0 HG SER A 20 12.654 14.100 -7.293 1.00 0.00 H new ATOM 263 N ALA A 21 13.503 12.125 -4.224 1.00 0.00 N ATOM 264 CA ALA A 21 13.812 12.328 -2.814 1.00 0.00 C ATOM 265 C ALA A 21 12.539 12.499 -1.991 1.00 0.00 C ATOM 266 O ALA A 21 12.421 11.960 -0.890 1.00 0.00 O ATOM 267 CB ALA A 21 14.721 13.536 -2.642 1.00 0.00 C ATOM 0 H ALA A 21 13.929 12.807 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 21 14.331 11.441 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.944 13.676 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.649 13.374 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.222 14.425 -3.028 1.00 0.00 H new ATOM 273 N THR A 22 11.587 13.254 -2.533 1.00 0.00 N ATOM 274 CA THR A 22 10.324 13.498 -1.848 1.00 0.00 C ATOM 275 C THR A 22 9.151 12.932 -2.640 1.00 0.00 C ATOM 276 O THR A 22 8.012 13.373 -2.481 1.00 0.00 O ATOM 277 CB THR A 22 10.093 15.003 -1.615 1.00 0.00 C ATOM 278 OG1 THR A 22 10.011 15.686 -2.870 1.00 0.00 O ATOM 279 CG2 THR A 22 11.216 15.599 -0.779 1.00 0.00 C ATOM 0 H THR A 22 11.667 13.706 -3.444 1.00 0.00 H new ATOM 0 HA THR A 22 10.385 12.994 -0.884 1.00 0.00 H new ATOM 0 HB THR A 22 9.155 15.125 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.862 16.642 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.032 16.663 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.256 15.096 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.166 15.466 -1.297 1.00 0.00 H new ATOM 287 N CYS A 23 9.437 11.953 -3.492 1.00 0.00 N ATOM 288 CA CYS A 23 8.404 11.327 -4.310 1.00 0.00 C ATOM 289 C CYS A 23 8.490 9.807 -4.224 1.00 0.00 C ATOM 290 O CYS A 23 9.562 9.248 -3.994 1.00 0.00 O ATOM 291 CB CYS A 23 8.535 11.776 -5.766 1.00 0.00 C ATOM 292 SG CYS A 23 8.631 13.569 -5.981 1.00 0.00 S ATOM 0 H CYS A 23 10.374 11.576 -3.634 1.00 0.00 H new ATOM 0 HA CYS A 23 7.433 11.640 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.427 11.321 -6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.682 11.399 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 23 8.742 13.849 -7.246 1.00 0.00 H new ATOM 298 N ALA A 24 7.354 9.143 -4.409 1.00 0.00 N ATOM 299 CA ALA A 24 7.302 7.688 -4.353 1.00 0.00 C ATOM 300 C ALA A 24 6.093 7.152 -5.113 1.00 0.00 C ATOM 301 O ALA A 24 5.149 7.890 -5.396 1.00 0.00 O ATOM 302 CB ALA A 24 7.269 7.216 -2.907 1.00 0.00 C ATOM 0 H ALA A 24 6.457 9.590 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 24 8.201 7.299 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.230 6.127 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.166 7.560 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.387 7.623 -2.412 1.00 0.00 H new ATOM 308 N GLN A 25 6.128 5.864 -5.441 1.00 0.00 N ATOM 309 CA GLN A 25 5.035 5.232 -6.170 1.00 0.00 C ATOM 310 C GLN A 25 4.802 3.809 -5.673 1.00 0.00 C ATOM 311 O GLN A 25 5.747 3.093 -5.342 1.00 0.00 O ATOM 312 CB GLN A 25 5.336 5.218 -7.670 1.00 0.00 C ATOM 313 CG GLN A 25 4.127 4.887 -8.529 1.00 0.00 C ATOM 314 CD GLN A 25 4.507 4.459 -9.933 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.675 4.520 -10.317 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.520 4.025 -10.708 1.00 0.00 N ATOM 0 H GLN A 25 6.901 5.239 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 25 4.129 5.812 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.724 6.193 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.122 4.490 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.555 4.090 -8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.475 5.759 -8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.566 3.991 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.716 3.725 -11.663 1.00 0.00 H new ATOM 325 N VAL A 26 3.536 3.406 -5.622 1.00 0.00 N ATOM 326 CA VAL A 26 3.177 2.068 -5.167 1.00 0.00 C ATOM 327 C VAL A 26 2.350 1.334 -6.215 1.00 0.00 C ATOM 328 O VAL A 26 1.704 1.955 -7.059 1.00 0.00 O ATOM 329 CB VAL A 26 2.385 2.119 -3.846 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.452 0.778 -3.132 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.909 3.235 -2.954 1.00 0.00 C ATOM 0 H VAL A 26 2.742 3.987 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 26 4.110 1.528 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 26 1.340 2.329 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.887 0.833 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.025 0.004 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.491 0.535 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.339 3.257 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.961 3.058 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.803 4.191 -3.467 1.00 0.00 H new ATOM 341 N ASN A 27 2.373 0.006 -6.155 1.00 0.00 N ATOM 342 CA ASN A 27 1.625 -0.815 -7.100 1.00 0.00 C ATOM 343 C ASN A 27 1.254 -2.159 -6.480 1.00 0.00 C ATOM 344 O ASN A 27 2.124 -2.908 -6.033 1.00 0.00 O ATOM 345 CB ASN A 27 2.441 -1.036 -8.375 1.00 0.00 C ATOM 346 CG ASN A 27 2.970 0.262 -8.955 1.00 0.00 C ATOM 347 OD1 ASN A 27 2.074 1.068 -9.512 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 4.168 0.535 -8.904 1.00 0.00 N flip ATOM 0 H ASN A 27 2.901 -0.524 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 27 0.706 -0.286 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.277 -1.701 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.820 -1.537 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.821 -0.115 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.509 1.411 -9.300 1.00 0.00 H new ATOM 355 N TRP A 28 -0.039 -2.457 -6.455 1.00 0.00 N ATOM 356 CA TRP A 28 -0.524 -3.712 -5.891 1.00 0.00 C ATOM 357 C TRP A 28 -1.351 -4.484 -6.911 1.00 0.00 C ATOM 358 O TRP A 28 -1.512 -4.048 -8.051 1.00 0.00 O ATOM 359 CB TRP A 28 -1.358 -3.441 -4.637 1.00 0.00 C ATOM 360 CG TRP A 28 -2.465 -2.457 -4.862 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.757 -2.741 -5.206 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.378 -1.032 -4.761 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.477 -1.576 -5.324 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.655 -0.514 -5.056 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.347 -0.142 -4.448 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -3.925 0.852 -5.048 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.616 1.213 -4.442 1.00 0.00 C ATOM 368 CH2 TRP A 28 -2.896 1.700 -4.738 1.00 0.00 C ATOM 0 H TRP A 28 -0.771 -1.847 -6.819 1.00 0.00 H new ATOM 0 HA TRP A 28 0.340 -4.319 -5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.783 -4.380 -4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.705 -3.068 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.153 -3.733 -5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.465 -1.513 -5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.358 -0.507 -4.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.911 1.229 -5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.825 1.910 -4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.074 2.765 -4.721 1.00 0.00 H new ATOM 379 N GLU A 29 -1.875 -5.633 -6.494 1.00 0.00 N ATOM 380 CA GLU A 29 -2.686 -6.466 -7.374 1.00 0.00 C ATOM 381 C GLU A 29 -3.825 -7.125 -6.602 1.00 0.00 C ATOM 382 O GLU A 29 -3.880 -7.055 -5.374 1.00 0.00 O ATOM 383 CB GLU A 29 -1.820 -7.536 -8.041 1.00 0.00 C ATOM 384 CG GLU A 29 -1.149 -8.478 -7.055 1.00 0.00 C ATOM 385 CD GLU A 29 -0.392 -9.599 -7.741 1.00 0.00 C ATOM 386 OE1 GLU A 29 -1.004 -10.657 -7.997 1.00 0.00 O ATOM 387 OE2 GLU A 29 0.810 -9.418 -8.022 1.00 0.00 O ATOM 0 H GLU A 29 -1.752 -6.007 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.116 -5.825 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.439 -8.119 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.054 -7.048 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.461 -7.911 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.904 -8.905 -6.395 1.00 0.00 H new ATOM 394 N VAL A 30 -4.733 -7.767 -7.330 1.00 0.00 N ATOM 395 CA VAL A 30 -5.871 -8.441 -6.715 1.00 0.00 C ATOM 396 C VAL A 30 -5.669 -9.952 -6.693 1.00 0.00 C ATOM 397 O VAL A 30 -5.197 -10.555 -7.657 1.00 0.00 O ATOM 398 CB VAL A 30 -7.181 -8.121 -7.457 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.351 -8.853 -6.817 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.428 -6.619 -7.477 1.00 0.00 C ATOM 0 H VAL A 30 -4.703 -7.835 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.942 -8.072 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.088 -8.466 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.268 -8.614 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.175 -9.928 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.450 -8.542 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.358 -6.410 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.501 -6.249 -6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.602 -6.121 -7.985 1.00 0.00 H new ATOM 410 N PRO A 31 -6.034 -10.581 -5.567 1.00 0.00 N ATOM 411 CA PRO A 31 -5.904 -12.031 -5.392 1.00 0.00 C ATOM 412 C PRO A 31 -6.883 -12.811 -6.261 1.00 0.00 C ATOM 413 O PRO A 31 -7.530 -12.245 -7.145 1.00 0.00 O ATOM 414 CB PRO A 31 -6.222 -12.239 -3.909 1.00 0.00 C ATOM 415 CG PRO A 31 -7.082 -11.081 -3.540 1.00 0.00 C ATOM 416 CD PRO A 31 -6.604 -9.926 -4.377 1.00 0.00 C ATOM 0 HA PRO A 31 -4.917 -12.390 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.739 -13.184 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.312 -12.264 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.132 -11.297 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.996 -10.854 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.422 -9.255 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.859 -9.329 -3.851 1.00 0.00 H new ATOM 424 N LEU A 32 -6.991 -14.110 -6.006 1.00 0.00 N ATOM 425 CA LEU A 32 -7.893 -14.968 -6.766 1.00 0.00 C ATOM 426 C LEU A 32 -9.218 -15.149 -6.033 1.00 0.00 C ATOM 427 O LEU A 32 -9.286 -15.836 -5.014 1.00 0.00 O ATOM 428 CB LEU A 32 -7.244 -16.330 -7.015 1.00 0.00 C ATOM 429 CG LEU A 32 -7.712 -17.078 -8.264 1.00 0.00 C ATOM 430 CD1 LEU A 32 -9.207 -17.348 -8.196 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.367 -16.288 -9.519 1.00 0.00 C ATOM 0 H LEU A 32 -6.464 -14.593 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.092 -14.487 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.165 -16.189 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.429 -16.962 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.193 -18.035 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.522 -17.881 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.428 -17.954 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.745 -16.402 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.707 -16.835 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.859 -15.316 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.288 -16.147 -9.575 1.00 0.00 H new ATOM 501 N VAL A 38 -13.242 -7.875 -4.953 1.00 0.00 N ATOM 502 CA VAL A 38 -12.816 -6.792 -4.076 1.00 0.00 C ATOM 503 C VAL A 38 -13.550 -5.497 -4.406 1.00 0.00 C ATOM 504 O VAL A 38 -13.537 -5.036 -5.548 1.00 0.00 O ATOM 505 CB VAL A 38 -11.299 -6.551 -4.179 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.901 -5.309 -3.395 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.531 -7.768 -3.688 1.00 0.00 C ATOM 0 HA VAL A 38 -13.060 -7.094 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.046 -6.388 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.825 -5.155 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.425 -4.442 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.168 -5.440 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.460 -7.579 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.788 -7.965 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.793 -8.634 -4.296 1.00 0.00 H new ATOM 517 N THR A 39 -14.189 -4.911 -3.398 1.00 0.00 N ATOM 518 CA THR A 39 -14.929 -3.669 -3.581 1.00 0.00 C ATOM 519 C THR A 39 -13.986 -2.474 -3.653 1.00 0.00 C ATOM 520 O THR A 39 -14.078 -1.655 -4.568 1.00 0.00 O ATOM 521 CB THR A 39 -15.939 -3.444 -2.440 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.426 -3.983 -1.217 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.276 -4.094 -2.765 1.00 0.00 C ATOM 0 H THR A 39 -14.209 -5.277 -2.446 1.00 0.00 H new ATOM 0 HA THR A 39 -15.470 -3.759 -4.523 1.00 0.00 H new ATOM 0 HB THR A 39 -16.092 -2.371 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.074 -3.834 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.973 -3.922 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.678 -3.660 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.135 -5.166 -2.903 1.00 0.00 H new ATOM 531 N GLU A 40 -13.082 -2.379 -2.683 1.00 0.00 N ATOM 532 CA GLU A 40 -12.123 -1.281 -2.638 1.00 0.00 C ATOM 533 C GLU A 40 -10.861 -1.692 -1.884 1.00 0.00 C ATOM 534 O GLU A 40 -10.835 -2.725 -1.214 1.00 0.00 O ATOM 535 CB GLU A 40 -12.750 -0.054 -1.976 1.00 0.00 C ATOM 536 CG GLU A 40 -12.556 -0.009 -0.469 1.00 0.00 C ATOM 537 CD GLU A 40 -13.619 0.814 0.232 1.00 0.00 C ATOM 538 OE1 GLU A 40 -13.919 1.928 -0.247 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.151 0.345 1.259 1.00 0.00 O ATOM 0 H GLU A 40 -12.994 -3.048 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.848 -1.030 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.320 0.846 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.817 -0.038 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.569 -1.025 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.574 0.407 -0.245 1.00 0.00 H new ATOM 546 N TYR A 41 -9.819 -0.876 -1.998 1.00 0.00 N ATOM 547 CA TYR A 41 -8.553 -1.156 -1.330 1.00 0.00 C ATOM 548 C TYR A 41 -8.189 -0.033 -0.364 1.00 0.00 C ATOM 549 O TYR A 41 -8.360 1.147 -0.672 1.00 0.00 O ATOM 550 CB TYR A 41 -7.439 -1.339 -2.361 1.00 0.00 C ATOM 551 CG TYR A 41 -7.316 -2.756 -2.874 1.00 0.00 C ATOM 552 CD1 TYR A 41 -6.582 -3.707 -2.176 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.933 -3.143 -4.057 1.00 0.00 C ATOM 554 CE1 TYR A 41 -6.466 -5.002 -2.641 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.824 -4.436 -4.529 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.089 -5.363 -3.818 1.00 0.00 C ATOM 557 OH TYR A 41 -6.977 -6.652 -4.285 1.00 0.00 O ATOM 0 H TYR A 41 -9.826 -0.016 -2.546 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.666 -2.079 -0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.621 -0.671 -3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.490 -1.039 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.094 -3.429 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.508 -2.420 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.891 -5.728 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.311 -4.721 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.193 -7.281 -3.565 1.00 0.00 H new ATOM 567 N ARG A 42 -7.686 -0.408 0.808 1.00 0.00 N ATOM 568 CA ARG A 42 -7.297 0.565 1.820 1.00 0.00 C ATOM 569 C ARG A 42 -5.789 0.540 2.048 1.00 0.00 C ATOM 570 O ARG A 42 -5.270 -0.328 2.751 1.00 0.00 O ATOM 571 CB ARG A 42 -8.026 0.284 3.136 1.00 0.00 C ATOM 572 CG ARG A 42 -9.423 0.880 3.197 1.00 0.00 C ATOM 573 CD ARG A 42 -9.934 0.956 4.628 1.00 0.00 C ATOM 574 NE ARG A 42 -10.127 -0.369 5.210 1.00 0.00 N ATOM 575 CZ ARG A 42 -10.808 -0.588 6.329 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.359 0.426 6.983 1.00 0.00 N ATOM 577 NH2 ARG A 42 -10.940 -1.823 6.796 1.00 0.00 N ATOM 0 H ARG A 42 -7.539 -1.380 1.079 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.577 1.555 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.093 -0.794 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.434 0.681 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.413 1.878 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.104 0.276 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.227 1.520 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.877 1.502 4.648 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.716 -1.170 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.260 1.377 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.882 0.255 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.518 -2.605 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.463 -1.990 7.656 1.00 0.00 H new ATOM 591 N LEU A 43 -5.090 1.498 1.448 1.00 0.00 N ATOM 592 CA LEU A 43 -3.640 1.586 1.584 1.00 0.00 C ATOM 593 C LEU A 43 -3.256 2.535 2.715 1.00 0.00 C ATOM 594 O LEU A 43 -3.718 3.674 2.765 1.00 0.00 O ATOM 595 CB LEU A 43 -3.012 2.059 0.271 1.00 0.00 C ATOM 596 CG LEU A 43 -1.514 2.362 0.314 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.706 1.074 0.276 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.121 3.275 -0.839 1.00 0.00 C ATOM 0 H LEU A 43 -5.504 2.224 0.863 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.261 0.592 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.186 1.296 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.535 2.958 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.294 2.876 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.358 1.311 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.966 0.456 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.930 0.531 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.051 3.480 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.356 2.788 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.673 4.212 -0.766 1.00 0.00 H new ATOM 610 N GLU A 44 -2.406 2.058 3.619 1.00 0.00 N ATOM 611 CA GLU A 44 -1.959 2.865 4.748 1.00 0.00 C ATOM 612 C GLU A 44 -0.477 3.203 4.622 1.00 0.00 C ATOM 613 O GLU A 44 0.364 2.314 4.485 1.00 0.00 O ATOM 614 CB GLU A 44 -2.215 2.127 6.063 1.00 0.00 C ATOM 615 CG GLU A 44 -3.688 1.877 6.345 1.00 0.00 C ATOM 616 CD GLU A 44 -4.272 0.789 5.463 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.487 0.047 4.837 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.515 0.682 5.398 1.00 0.00 O ATOM 0 H GLU A 44 -2.013 1.117 3.591 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.527 3.795 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.691 1.172 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.790 2.706 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.812 1.598 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.246 2.801 6.194 1.00 0.00 H new ATOM 625 N TRP A 45 -0.165 4.493 4.669 1.00 0.00 N ATOM 626 CA TRP A 45 1.217 4.950 4.560 1.00 0.00 C ATOM 627 C TRP A 45 1.513 6.040 5.584 1.00 0.00 C ATOM 628 O TRP A 45 0.891 7.101 5.571 1.00 0.00 O ATOM 629 CB TRP A 45 1.493 5.470 3.149 1.00 0.00 C ATOM 630 CG TRP A 45 2.882 6.007 2.975 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.450 7.044 3.659 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.874 5.536 2.057 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.737 7.245 3.220 1.00 0.00 N ATOM 634 CE2 TRP A 45 5.022 6.333 2.239 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.906 4.519 1.099 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.185 6.143 1.499 1.00 0.00 C ATOM 637 CZ3 TRP A 45 5.062 4.331 0.365 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.189 5.139 0.568 1.00 0.00 C ATOM 0 H TRP A 45 -0.849 5.241 4.782 1.00 0.00 H new ATOM 0 HA TRP A 45 1.871 4.102 4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.331 4.663 2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.775 6.255 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.961 7.620 4.430 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.377 7.959 3.569 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.043 3.891 0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.054 6.766 1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.097 3.548 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.078 4.966 -0.021 1.00 0.00 H new ATOM 649 N GLY A 46 2.466 5.769 6.470 1.00 0.00 N ATOM 650 CA GLY A 46 2.827 6.738 7.489 1.00 0.00 C ATOM 651 C GLY A 46 4.321 6.788 7.739 1.00 0.00 C ATOM 652 O GLY A 46 5.069 5.944 7.245 1.00 0.00 O ATOM 0 H GLY A 46 2.994 4.897 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.479 7.726 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.314 6.491 8.419 1.00 0.00 H new ATOM 656 N GLY A 47 4.759 7.781 8.506 1.00 0.00 N ATOM 657 CA GLY A 47 6.173 7.921 8.805 1.00 0.00 C ATOM 658 C GLY A 47 6.809 6.610 9.222 1.00 0.00 C ATOM 659 O GLY A 47 7.692 6.094 8.535 1.00 0.00 O ATOM 0 H GLY A 47 4.160 8.492 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.690 8.309 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.302 8.654 9.602 1.00 0.00 H new ATOM 663 N VAL A 48 6.362 6.069 10.350 1.00 0.00 N ATOM 664 CA VAL A 48 6.893 4.810 10.857 1.00 0.00 C ATOM 665 C VAL A 48 5.802 3.750 10.950 1.00 0.00 C ATOM 666 O VAL A 48 4.615 4.069 11.000 1.00 0.00 O ATOM 667 CB VAL A 48 7.536 4.991 12.246 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.464 5.162 13.313 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.441 3.813 12.572 1.00 0.00 C ATOM 0 H VAL A 48 5.633 6.483 10.931 1.00 0.00 H new ATOM 0 HA VAL A 48 7.655 4.481 10.151 1.00 0.00 H new ATOM 0 HB VAL A 48 8.146 5.894 12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.937 5.288 14.287 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.861 6.041 13.085 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.825 4.279 13.332 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.886 3.958 13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.856 2.893 12.570 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.230 3.742 11.823 1.00 0.00 H new ATOM 679 N GLU A 49 6.213 2.485 10.972 1.00 0.00 N ATOM 680 CA GLU A 49 5.269 1.377 11.057 1.00 0.00 C ATOM 681 C GLU A 49 4.233 1.628 12.148 1.00 0.00 C ATOM 682 O GLU A 49 3.048 1.350 11.971 1.00 0.00 O ATOM 683 CB GLU A 49 6.010 0.068 11.333 1.00 0.00 C ATOM 684 CG GLU A 49 5.150 -0.989 12.005 1.00 0.00 C ATOM 685 CD GLU A 49 5.670 -2.395 11.782 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.272 -2.641 10.715 1.00 0.00 O ATOM 687 OE2 GLU A 49 5.475 -3.249 12.671 1.00 0.00 O ATOM 0 H GLU A 49 7.192 2.203 10.932 1.00 0.00 H new ATOM 0 HA GLU A 49 4.752 1.299 10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.390 -0.330 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.874 0.276 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.105 -0.788 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.131 -0.918 11.624 1.00 0.00 H new ATOM 694 N GLY A 50 4.691 2.155 13.281 1.00 0.00 N ATOM 695 CA GLY A 50 3.792 2.434 14.386 1.00 0.00 C ATOM 696 C GLY A 50 2.740 3.466 14.031 1.00 0.00 C ATOM 697 O GLY A 50 1.605 3.392 14.501 1.00 0.00 O ATOM 0 H GLY A 50 5.668 2.393 13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.301 1.510 14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.370 2.787 15.240 1.00 0.00 H new ATOM 701 N SER A 51 3.118 4.432 13.200 1.00 0.00 N ATOM 702 CA SER A 51 2.200 5.487 12.786 1.00 0.00 C ATOM 703 C SER A 51 1.778 5.301 11.333 1.00 0.00 C ATOM 704 O SER A 51 2.582 5.465 10.416 1.00 0.00 O ATOM 705 CB SER A 51 2.851 6.859 12.969 1.00 0.00 C ATOM 706 OG SER A 51 2.181 7.848 12.205 1.00 0.00 O ATOM 0 H SER A 51 4.053 4.506 12.800 1.00 0.00 H new ATOM 0 HA SER A 51 1.311 5.428 13.414 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.833 7.136 14.023 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.898 6.811 12.669 1.00 0.00 H new ATOM 0 HG SER A 51 2.615 8.716 12.341 1.00 0.00 H new ATOM 712 N MET A 52 0.510 4.958 11.130 1.00 0.00 N ATOM 713 CA MET A 52 -0.021 4.750 9.788 1.00 0.00 C ATOM 714 C MET A 52 -1.521 5.024 9.748 1.00 0.00 C ATOM 715 O MET A 52 -2.240 4.727 10.702 1.00 0.00 O ATOM 716 CB MET A 52 0.262 3.321 9.319 1.00 0.00 C ATOM 717 CG MET A 52 1.743 2.983 9.263 1.00 0.00 C ATOM 718 SD MET A 52 2.051 1.306 8.677 1.00 0.00 S ATOM 719 CE MET A 52 1.877 1.530 6.907 1.00 0.00 C ATOM 0 H MET A 52 -0.169 4.818 11.878 1.00 0.00 H new ATOM 0 HA MET A 52 0.476 5.450 9.116 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.237 2.621 9.990 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.173 3.179 8.330 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.249 3.692 8.607 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.177 3.102 10.256 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.501 0.804 6.385 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.835 1.384 6.622 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.189 2.539 6.635 1.00 0.00 H new ATOM 729 N GLN A 53 -1.985 5.589 8.638 1.00 0.00 N ATOM 730 CA GLN A 53 -3.400 5.902 8.476 1.00 0.00 C ATOM 731 C GLN A 53 -3.816 5.797 7.012 1.00 0.00 C ATOM 732 O GLN A 53 -2.971 5.698 6.123 1.00 0.00 O ATOM 733 CB GLN A 53 -3.697 7.307 9.004 1.00 0.00 C ATOM 734 CG GLN A 53 -3.020 8.411 8.208 1.00 0.00 C ATOM 735 CD GLN A 53 -3.474 9.796 8.628 1.00 0.00 C ATOM 736 OE1 GLN A 53 -3.011 10.335 9.634 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.384 10.379 7.857 1.00 0.00 N ATOM 0 H GLN A 53 -1.403 5.839 7.839 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.975 5.177 9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.775 7.470 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.376 7.371 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.940 8.334 8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.230 8.270 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.740 9.895 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.727 11.311 8.089 1.00 0.00 H new ATOM 746 N ILE A 54 -5.123 5.819 6.772 1.00 0.00 N ATOM 747 CA ILE A 54 -5.651 5.727 5.415 1.00 0.00 C ATOM 748 C ILE A 54 -5.190 6.906 4.565 1.00 0.00 C ATOM 749 O ILE A 54 -5.694 8.022 4.708 1.00 0.00 O ATOM 750 CB ILE A 54 -7.190 5.677 5.413 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.687 4.579 6.356 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.710 5.446 4.002 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.405 3.179 5.856 1.00 0.00 C ATOM 0 H ILE A 54 -5.835 5.900 7.498 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.265 4.802 4.987 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.571 6.635 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.218 4.709 7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.761 4.695 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.799 5.413 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.380 6.259 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.323 4.500 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.785 2.453 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.897 3.030 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.330 3.045 5.738 1.00 0.00 H new ATOM 765 N CYS A 55 -4.234 6.652 3.680 1.00 0.00 N ATOM 766 CA CYS A 55 -3.706 7.692 2.804 1.00 0.00 C ATOM 767 C CYS A 55 -4.435 7.698 1.465 1.00 0.00 C ATOM 768 O CYS A 55 -4.642 8.752 0.863 1.00 0.00 O ATOM 769 CB CYS A 55 -2.206 7.489 2.582 1.00 0.00 C ATOM 770 SG CYS A 55 -1.160 8.314 3.804 1.00 0.00 S ATOM 0 H CYS A 55 -3.808 5.735 3.549 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.867 8.655 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.989 6.421 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.944 7.855 1.589 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.405 7.435 4.393 1.00 0.00 H new ATOM 776 N TYR A 56 -4.820 6.514 1.003 1.00 0.00 N ATOM 777 CA TYR A 56 -5.522 6.382 -0.268 1.00 0.00 C ATOM 778 C TYR A 56 -6.614 5.319 -0.179 1.00 0.00 C ATOM 779 O TYR A 56 -6.404 4.243 0.383 1.00 0.00 O ATOM 780 CB TYR A 56 -4.538 6.025 -1.384 1.00 0.00 C ATOM 781 CG TYR A 56 -5.199 5.432 -2.608 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.511 4.079 -2.666 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.512 6.224 -3.705 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.114 3.533 -3.782 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.116 5.687 -4.825 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.416 4.341 -4.859 1.00 0.00 C ATOM 787 OH TYR A 56 -7.017 3.801 -5.972 1.00 0.00 O ATOM 0 H TYR A 56 -4.658 5.632 1.489 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.989 7.340 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.991 6.922 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.805 5.316 -0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.278 3.444 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.279 7.278 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.348 2.479 -3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.352 6.317 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.162 4.504 -6.639 1.00 0.00 H new ATOM 797 N CYS A 57 -7.778 5.628 -0.738 1.00 0.00 N ATOM 798 CA CYS A 57 -8.904 4.702 -0.722 1.00 0.00 C ATOM 799 C CYS A 57 -9.596 4.663 -2.081 1.00 0.00 C ATOM 800 O CYS A 57 -10.045 5.690 -2.590 1.00 0.00 O ATOM 801 CB CYS A 57 -9.906 5.101 0.361 1.00 0.00 C ATOM 802 SG CYS A 57 -11.342 4.009 0.479 1.00 0.00 S ATOM 0 H CYS A 57 -7.967 6.513 -1.208 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.519 3.707 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.396 5.118 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.251 6.116 0.165 1.00 0.00 H new ATOM 0 HG CYS A 57 -12.130 4.428 1.424 1.00 0.00 H new ATOM 808 N GLY A 58 -9.676 3.472 -2.665 1.00 0.00 N ATOM 809 CA GLY A 58 -10.312 3.323 -3.962 1.00 0.00 C ATOM 810 C GLY A 58 -10.016 1.981 -4.601 1.00 0.00 C ATOM 811 O GLY A 58 -9.077 1.282 -4.221 1.00 0.00 O ATOM 0 H GLY A 58 -9.312 2.608 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.390 3.439 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.973 4.120 -4.624 1.00 0.00 H new ATOM 815 N PRO A 59 -10.830 1.603 -5.599 1.00 0.00 N ATOM 816 CA PRO A 59 -10.671 0.333 -6.313 1.00 0.00 C ATOM 817 C PRO A 59 -9.425 0.316 -7.193 1.00 0.00 C ATOM 818 O PRO A 59 -9.125 -0.686 -7.840 1.00 0.00 O ATOM 819 CB PRO A 59 -11.934 0.249 -7.172 1.00 0.00 C ATOM 820 CG PRO A 59 -12.357 1.664 -7.365 1.00 0.00 C ATOM 821 CD PRO A 59 -11.969 2.388 -6.104 1.00 0.00 C ATOM 0 HA PRO A 59 -10.548 -0.507 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.732 -0.237 -8.126 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.712 -0.332 -6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.866 2.103 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.431 1.730 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.688 3.422 -6.304 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.789 2.414 -5.387 1.00 0.00 H new ATOM 829 N GLY A 60 -8.704 1.433 -7.212 1.00 0.00 N ATOM 830 CA GLY A 60 -7.500 1.524 -8.016 1.00 0.00 C ATOM 831 C GLY A 60 -6.498 0.435 -7.686 1.00 0.00 C ATOM 832 O GLY A 60 -6.526 -0.133 -6.593 1.00 0.00 O ATOM 0 H GLY A 60 -8.932 2.276 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.766 1.461 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.037 2.498 -7.862 1.00 0.00 H new ATOM 836 N LEU A 61 -5.610 0.143 -8.630 1.00 0.00 N ATOM 837 CA LEU A 61 -4.595 -0.887 -8.434 1.00 0.00 C ATOM 838 C LEU A 61 -3.215 -0.263 -8.261 1.00 0.00 C ATOM 839 O LEU A 61 -2.283 -0.915 -7.789 1.00 0.00 O ATOM 840 CB LEU A 61 -4.587 -1.853 -9.619 1.00 0.00 C ATOM 841 CG LEU A 61 -5.809 -2.763 -9.751 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.809 -3.464 -11.102 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.842 -3.781 -8.621 1.00 0.00 C ATOM 0 H LEU A 61 -5.572 0.605 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.840 -1.438 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.491 -1.271 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.698 -2.480 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.705 -2.146 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.686 -4.107 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.835 -2.720 -11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.907 -4.068 -11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.718 -4.419 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.941 -4.393 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.891 -3.261 -7.664 1.00 0.00 H new ATOM 855 N SER A 62 -3.090 1.003 -8.646 1.00 0.00 N ATOM 856 CA SER A 62 -1.822 1.715 -8.535 1.00 0.00 C ATOM 857 C SER A 62 -2.042 3.146 -8.054 1.00 0.00 C ATOM 858 O SER A 62 -2.972 3.824 -8.490 1.00 0.00 O ATOM 859 CB SER A 62 -1.098 1.724 -9.883 1.00 0.00 C ATOM 860 OG SER A 62 -0.661 0.423 -10.237 1.00 0.00 O ATOM 0 H SER A 62 -3.852 1.557 -9.038 1.00 0.00 H new ATOM 0 HA SER A 62 -1.205 1.195 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.765 2.109 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.242 2.398 -9.835 1.00 0.00 H new ATOM 0 HG SER A 62 0.304 0.349 -10.084 1.00 0.00 H new ATOM 866 N TYR A 63 -1.180 3.598 -7.150 1.00 0.00 N ATOM 867 CA TYR A 63 -1.279 4.947 -6.606 1.00 0.00 C ATOM 868 C TYR A 63 0.104 5.530 -6.335 1.00 0.00 C ATOM 869 O TYR A 63 1.019 4.818 -5.922 1.00 0.00 O ATOM 870 CB TYR A 63 -2.103 4.939 -5.317 1.00 0.00 C ATOM 871 CG TYR A 63 -2.194 6.293 -4.649 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.066 7.265 -5.122 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.407 6.599 -3.546 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.153 8.504 -4.516 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.489 7.835 -2.932 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.362 8.783 -3.420 1.00 0.00 C ATOM 877 OH TYR A 63 -2.445 10.016 -2.813 1.00 0.00 O ATOM 0 H TYR A 63 -0.404 3.050 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.777 5.574 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.109 4.585 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.663 4.227 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.687 7.049 -5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.720 5.859 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.835 9.249 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.872 8.057 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.824 10.050 -2.056 1.00 0.00 H new ATOM 887 N GLU A 64 0.248 6.830 -6.573 1.00 0.00 N ATOM 888 CA GLU A 64 1.520 7.509 -6.354 1.00 0.00 C ATOM 889 C GLU A 64 1.467 8.373 -5.098 1.00 0.00 C ATOM 890 O GLU A 64 0.414 8.895 -4.735 1.00 0.00 O ATOM 891 CB GLU A 64 1.876 8.372 -7.566 1.00 0.00 C ATOM 892 CG GLU A 64 1.396 9.809 -7.451 1.00 0.00 C ATOM 893 CD GLU A 64 1.050 10.417 -8.797 1.00 0.00 C ATOM 894 OE1 GLU A 64 1.821 10.212 -9.757 1.00 0.00 O ATOM 895 OE2 GLU A 64 0.006 11.098 -8.890 1.00 0.00 O ATOM 0 H GLU A 64 -0.499 7.433 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 64 2.290 6.750 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.958 8.369 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.444 7.924 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.520 9.845 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.170 10.410 -6.973 1.00 0.00 H new ATOM 902 N ILE A 65 2.612 8.518 -4.439 1.00 0.00 N ATOM 903 CA ILE A 65 2.697 9.319 -3.224 1.00 0.00 C ATOM 904 C ILE A 65 3.782 10.385 -3.342 1.00 0.00 C ATOM 905 O ILE A 65 4.876 10.119 -3.838 1.00 0.00 O ATOM 906 CB ILE A 65 2.987 8.442 -1.991 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.735 7.659 -1.589 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.475 9.300 -0.834 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.016 6.519 -0.635 1.00 0.00 C ATOM 0 H ILE A 65 3.493 8.091 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 65 1.728 9.803 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 65 3.772 7.730 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.022 8.342 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.260 7.262 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.676 8.666 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.389 9.817 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.710 10.033 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.084 6.009 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.705 5.815 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.462 6.911 0.279 1.00 0.00 H new ATOM 921 N LYS A 66 3.470 11.591 -2.881 1.00 0.00 N ATOM 922 CA LYS A 66 4.418 12.698 -2.931 1.00 0.00 C ATOM 923 C LYS A 66 4.415 13.477 -1.620 1.00 0.00 C ATOM 924 O LYS A 66 3.613 13.206 -0.728 1.00 0.00 O ATOM 925 CB LYS A 66 4.080 13.633 -4.094 1.00 0.00 C ATOM 926 CG LYS A 66 4.291 13.007 -5.461 1.00 0.00 C ATOM 927 CD LYS A 66 3.789 13.911 -6.573 1.00 0.00 C ATOM 928 CE LYS A 66 4.870 14.875 -7.038 1.00 0.00 C ATOM 929 NZ LYS A 66 4.300 16.027 -7.792 1.00 0.00 N ATOM 0 H LYS A 66 2.568 11.827 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 66 5.415 12.284 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.040 13.948 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.693 14.531 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.351 12.802 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.772 12.050 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.455 13.304 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.924 14.474 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.423 15.244 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.582 14.344 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.069 16.660 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.794 15.677 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.639 16.549 -7.181 1.00 0.00 H new ATOM 943 N GLY A 67 5.317 14.448 -1.511 1.00 0.00 N ATOM 944 CA GLY A 67 5.399 15.252 -0.306 1.00 0.00 C ATOM 945 C GLY A 67 6.095 14.527 0.829 1.00 0.00 C ATOM 946 O GLY A 67 5.723 14.680 1.994 1.00 0.00 O ATOM 0 H GLY A 67 5.992 14.692 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.934 16.176 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.394 15.533 0.009 1.00 0.00 H new ATOM 950 N LEU A 68 7.105 13.733 0.491 1.00 0.00 N ATOM 951 CA LEU A 68 7.853 12.979 1.490 1.00 0.00 C ATOM 952 C LEU A 68 9.193 13.645 1.784 1.00 0.00 C ATOM 953 O LEU A 68 9.624 14.541 1.060 1.00 0.00 O ATOM 954 CB LEU A 68 8.077 11.543 1.013 1.00 0.00 C ATOM 955 CG LEU A 68 6.863 10.840 0.405 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.281 9.549 -0.281 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.818 10.563 1.476 1.00 0.00 C ATOM 0 H LEU A 68 7.425 13.595 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 68 7.268 12.962 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.877 11.548 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.429 10.951 1.858 1.00 0.00 H new ATOM 0 HG LEU A 68 6.423 11.498 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.404 9.063 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.994 9.773 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.746 8.884 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.960 10.062 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.248 9.924 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.496 11.504 1.922 1.00 0.00 H new ATOM 969 N SER A 69 9.849 13.198 2.850 1.00 0.00 N ATOM 970 CA SER A 69 11.140 13.751 3.241 1.00 0.00 C ATOM 971 C SER A 69 12.269 12.775 2.923 1.00 0.00 C ATOM 972 O SER A 69 12.124 11.559 3.043 1.00 0.00 O ATOM 973 CB SER A 69 11.145 14.086 4.734 1.00 0.00 C ATOM 974 OG SER A 69 10.415 15.272 4.994 1.00 0.00 O ATOM 0 H SER A 69 9.507 12.454 3.458 1.00 0.00 H new ATOM 0 HA SER A 69 11.303 14.665 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.713 13.259 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.172 14.204 5.080 1.00 0.00 H new ATOM 0 HG SER A 69 10.432 15.463 5.955 1.00 0.00 H new ATOM 980 N PRO A 70 13.422 13.320 2.507 1.00 0.00 N ATOM 981 CA PRO A 70 14.599 12.516 2.164 1.00 0.00 C ATOM 982 C PRO A 70 15.234 11.866 3.388 1.00 0.00 C ATOM 983 O PRO A 70 15.151 12.394 4.496 1.00 0.00 O ATOM 984 CB PRO A 70 15.556 13.537 1.544 1.00 0.00 C ATOM 985 CG PRO A 70 15.153 14.844 2.135 1.00 0.00 C ATOM 986 CD PRO A 70 13.666 14.763 2.342 1.00 0.00 C ATOM 0 HA PRO A 70 14.348 11.688 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.594 13.300 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.470 13.551 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.669 15.022 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.410 15.669 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.351 15.327 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.119 15.168 1.491 1.00 0.00 H new ATOM 994 N ALA A 71 15.868 10.716 3.179 1.00 0.00 N ATOM 995 CA ALA A 71 16.520 9.996 4.265 1.00 0.00 C ATOM 996 C ALA A 71 15.544 9.719 5.404 1.00 0.00 C ATOM 997 O ALA A 71 15.808 10.056 6.558 1.00 0.00 O ATOM 998 CB ALA A 71 17.720 10.781 4.776 1.00 0.00 C ATOM 0 H ALA A 71 15.943 10.264 2.268 1.00 0.00 H new ATOM 0 HA ALA A 71 16.866 9.039 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.196 10.230 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.434 10.923 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.390 11.753 5.143 1.00 0.00 H new ATOM 1004 N THR A 72 14.414 9.102 5.071 1.00 0.00 N ATOM 1005 CA THR A 72 13.397 8.782 6.065 1.00 0.00 C ATOM 1006 C THR A 72 12.720 7.453 5.750 1.00 0.00 C ATOM 1007 O THR A 72 12.274 7.222 4.626 1.00 0.00 O ATOM 1008 CB THR A 72 12.325 9.885 6.148 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.936 11.139 6.470 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.275 9.542 7.194 1.00 0.00 C ATOM 0 H THR A 72 14.180 8.814 4.121 1.00 0.00 H new ATOM 0 HA THR A 72 13.906 8.709 7.026 1.00 0.00 H new ATOM 0 HB THR A 72 11.836 9.959 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.248 11.835 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.529 10.336 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.791 8.602 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.752 9.442 8.169 1.00 0.00 H new ATOM 1018 N THR A 73 12.645 6.581 6.751 1.00 0.00 N ATOM 1019 CA THR A 73 12.022 5.275 6.580 1.00 0.00 C ATOM 1020 C THR A 73 10.503 5.393 6.515 1.00 0.00 C ATOM 1021 O THR A 73 9.901 6.179 7.246 1.00 0.00 O ATOM 1022 CB THR A 73 12.401 4.318 7.726 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.805 4.411 7.998 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.044 2.882 7.373 1.00 0.00 C ATOM 0 H THR A 73 13.008 6.756 7.688 1.00 0.00 H new ATOM 0 HA THR A 73 12.393 4.870 5.639 1.00 0.00 H new ATOM 0 HB THR A 73 11.838 4.609 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.038 3.801 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.321 2.225 8.197 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.971 2.807 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.583 2.583 6.474 1.00 0.00 H new ATOM 1032 N TYR A 74 9.891 4.609 5.636 1.00 0.00 N ATOM 1033 CA TYR A 74 8.442 4.628 5.474 1.00 0.00 C ATOM 1034 C TYR A 74 7.890 3.211 5.338 1.00 0.00 C ATOM 1035 O TYR A 74 8.626 2.273 5.033 1.00 0.00 O ATOM 1036 CB TYR A 74 8.056 5.457 4.249 1.00 0.00 C ATOM 1037 CG TYR A 74 8.190 6.948 4.458 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.199 7.668 5.116 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.307 7.636 4.001 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.317 9.031 5.310 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.434 8.999 4.192 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.436 9.691 4.847 1.00 0.00 C ATOM 1043 OH TYR A 74 8.558 11.049 5.038 1.00 0.00 O ATOM 0 H TYR A 74 10.375 3.952 5.024 1.00 0.00 H new ATOM 0 HA TYR A 74 8.008 5.084 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.682 5.159 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.026 5.228 3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.323 7.153 5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.089 7.097 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.537 9.576 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.309 9.519 3.831 1.00 0.00 H new ATOM 0 HH TYR A 74 9.506 11.285 5.114 1.00 0.00 H new ATOM 1053 N TYR A 75 6.590 3.066 5.568 1.00 0.00 N ATOM 1054 CA TYR A 75 5.939 1.765 5.474 1.00 0.00 C ATOM 1055 C TYR A 75 4.588 1.881 4.775 1.00 0.00 C ATOM 1056 O TYR A 75 3.885 2.883 4.923 1.00 0.00 O ATOM 1057 CB TYR A 75 5.755 1.162 6.867 1.00 0.00 C ATOM 1058 CG TYR A 75 7.033 1.092 7.672 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.481 2.192 8.395 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.793 -0.070 7.708 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.649 2.134 9.130 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.961 -0.137 8.440 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.385 0.967 9.151 1.00 0.00 C ATOM 1064 OH TYR A 75 10.550 0.905 9.882 1.00 0.00 O ATOM 0 H TYR A 75 5.967 3.833 5.821 1.00 0.00 H new ATOM 0 HA TYR A 75 6.578 1.109 4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.022 1.754 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.343 0.158 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.906 3.106 8.382 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.464 -0.936 7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.984 2.997 9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.540 -1.049 8.456 1.00 0.00 H new ATOM 0 HH TYR A 75 10.946 0.013 9.791 1.00 0.00 H new ATOM 1074 N CYS A 76 4.231 0.853 4.015 1.00 0.00 N ATOM 1075 CA CYS A 76 2.964 0.838 3.292 1.00 0.00 C ATOM 1076 C CYS A 76 2.333 -0.550 3.331 1.00 0.00 C ATOM 1077 O CYS A 76 3.001 -1.555 3.088 1.00 0.00 O ATOM 1078 CB CYS A 76 3.176 1.276 1.842 1.00 0.00 C ATOM 1079 SG CYS A 76 3.883 -0.005 0.780 1.00 0.00 S ATOM 0 H CYS A 76 4.801 0.018 3.883 1.00 0.00 H new ATOM 0 HA CYS A 76 2.286 1.539 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.219 1.591 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.832 2.147 1.829 1.00 0.00 H new ATOM 0 HG CYS A 76 3.758 -1.164 1.356 1.00 0.00 H new ATOM 1085 N ARG A 77 1.040 -0.597 3.639 1.00 0.00 N ATOM 1086 CA ARG A 77 0.319 -1.862 3.712 1.00 0.00 C ATOM 1087 C ARG A 77 -1.021 -1.767 2.987 1.00 0.00 C ATOM 1088 O ARG A 77 -1.801 -0.844 3.222 1.00 0.00 O ATOM 1089 CB ARG A 77 0.093 -2.262 5.171 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.750 -1.265 5.952 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.831 -1.638 7.424 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.643 -0.692 8.184 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.991 -0.876 9.452 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.601 -1.965 10.099 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -2.733 0.031 10.076 1.00 0.00 N ATOM 0 H ARG A 77 0.472 0.225 3.842 1.00 0.00 H new ATOM 0 HA ARG A 77 0.925 -2.625 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.392 -3.237 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.059 -2.372 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.323 -0.267 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.754 -1.226 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.253 -2.638 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.174 -1.673 7.845 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.960 0.157 7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.032 -2.665 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.870 -2.103 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.036 0.870 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.000 -0.111 11.050 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.279 -2.725 2.103 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.523 -2.750 1.343 1.00 0.00 C ATOM 1111 C VAL A 78 -3.382 -3.947 1.735 1.00 0.00 C ATOM 1112 O VAL A 78 -2.874 -5.050 1.933 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.255 -2.800 -0.172 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.484 -4.058 -0.538 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.562 -2.722 -0.947 1.00 0.00 C ATOM 0 H VAL A 78 -0.643 -3.495 1.895 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.056 -1.829 1.580 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.645 -1.938 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.304 -4.075 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.530 -4.067 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.064 -4.936 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.354 -2.759 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.199 -3.563 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.071 -1.788 -0.708 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.687 -3.721 1.845 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.618 -4.782 2.214 1.00 0.00 C ATOM 1127 C GLN A 79 -6.793 -4.836 1.243 1.00 0.00 C ATOM 1128 O GLN A 79 -7.172 -3.824 0.654 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.128 -4.568 3.640 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.375 -3.703 3.717 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.734 -3.321 5.139 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.874 -2.140 5.460 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -7.884 -4.319 6.002 1.00 0.00 N ATOM 0 H GLN A 79 -5.124 -2.813 1.684 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.086 -5.732 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.340 -5.538 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.339 -4.107 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.221 -2.798 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.211 -4.237 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.759 -5.283 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.125 -4.121 6.973 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.366 -6.025 1.082 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.499 -6.212 0.184 1.00 0.00 C ATOM 1144 C ALA A 80 -9.811 -6.262 0.960 1.00 0.00 C ATOM 1145 O ALA A 80 -9.978 -7.082 1.864 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.319 -7.480 -0.636 1.00 0.00 C ATOM 0 H ALA A 80 -7.064 -6.873 1.562 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.540 -5.359 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.172 -7.607 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.406 -7.405 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.249 -8.338 0.032 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.739 -5.381 0.602 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.037 -5.325 1.265 1.00 0.00 C ATOM 1154 C LEU A 81 -13.122 -5.943 0.390 1.00 0.00 C ATOM 1155 O LEU A 81 -13.120 -5.778 -0.830 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.399 -3.877 1.599 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.630 -3.244 2.760 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.362 -2.573 2.256 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.509 -2.243 3.498 1.00 0.00 C ATOM 0 H LEU A 81 -10.617 -4.696 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.970 -5.899 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.239 -3.269 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.464 -3.833 1.828 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.347 -4.032 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.828 -2.128 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.726 -3.314 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.623 -1.795 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.946 -1.802 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.822 -1.457 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.389 -2.752 3.892 1.00 0.00 H new ATOM 1171 N SER A 82 -14.050 -6.656 1.022 1.00 0.00 N ATOM 1172 CA SER A 82 -15.141 -7.301 0.301 1.00 0.00 C ATOM 1173 C SER A 82 -16.477 -7.040 0.989 1.00 0.00 C ATOM 1174 O SER A 82 -16.554 -6.274 1.950 1.00 0.00 O ATOM 1175 CB SER A 82 -14.893 -8.807 0.199 1.00 0.00 C ATOM 1176 OG SER A 82 -14.245 -9.297 1.359 1.00 0.00 O ATOM 0 H SER A 82 -14.068 -6.801 2.031 1.00 0.00 H new ATOM 0 HA SER A 82 -15.180 -6.877 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.841 -9.326 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.283 -9.020 -0.679 1.00 0.00 H new ATOM 0 HG SER A 82 -14.528 -8.773 2.138 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.529 -7.681 0.490 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.863 -7.520 1.057 1.00 0.00 C ATOM 1184 C VAL A 83 -19.128 -8.558 2.142 1.00 0.00 C ATOM 1185 O VAL A 83 -20.097 -8.452 2.894 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.951 -7.637 -0.026 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.236 -6.277 -0.645 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.536 -8.640 -1.091 1.00 0.00 C ATOM 0 H VAL A 83 -17.483 -8.317 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.902 -6.523 1.495 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.868 -7.996 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.007 -6.379 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.579 -5.590 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.326 -5.886 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.317 -8.710 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.607 -8.312 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.387 -9.617 -0.632 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.260 -9.561 2.219 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.398 -10.619 3.213 1.00 0.00 C ATOM 1200 C VAL A 84 -17.472 -10.381 4.401 1.00 0.00 C ATOM 1201 O VAL A 84 -17.598 -11.028 5.439 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.094 -12.002 2.608 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.606 -12.149 2.332 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -18.586 -13.106 3.531 1.00 0.00 C ATOM 0 H VAL A 84 -17.453 -9.663 1.604 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.433 -10.600 3.553 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.624 -12.090 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.411 -13.133 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.288 -11.379 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.051 -12.041 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.363 -14.077 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.085 -13.024 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -19.663 -13.010 3.672 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.540 -9.446 4.240 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.606 -9.139 5.308 1.00 0.00 C ATOM 1216 C GLY A 85 -14.466 -8.255 4.843 1.00 0.00 C ATOM 1217 O GLY A 85 -14.552 -7.619 3.792 1.00 0.00 O ATOM 0 H GLY A 85 -16.415 -8.896 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.138 -8.644 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.201 -10.067 5.711 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.394 -8.213 5.628 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.232 -7.399 5.291 1.00 0.00 C ATOM 1223 C ALA A 86 -10.952 -8.227 5.337 1.00 0.00 C ATOM 1224 O ALA A 86 -10.410 -8.490 6.410 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.129 -6.210 6.234 1.00 0.00 C ATOM 0 H ALA A 86 -13.306 -8.733 6.501 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.359 -7.030 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.257 -5.611 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.028 -5.599 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.028 -6.566 7.259 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.473 -8.635 4.166 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.260 -9.428 4.095 1.00 0.00 C ATOM 1233 C GLY A 87 -8.163 -8.891 4.993 1.00 0.00 C ATOM 1234 O GLY A 87 -8.205 -7.747 5.444 1.00 0.00 O ATOM 0 H GLY A 87 -10.904 -8.430 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.485 -10.457 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.904 -9.450 3.065 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.152 -9.730 5.263 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.019 -9.354 6.115 1.00 0.00 C ATOM 1240 C PRO A 88 -5.114 -8.320 5.455 1.00 0.00 C ATOM 1241 O PRO A 88 -5.402 -7.838 4.359 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.269 -10.675 6.310 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.627 -11.493 5.118 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.035 -11.108 4.759 1.00 0.00 C ATOM 0 HA PRO A 88 -6.346 -8.891 7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.193 -10.514 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.570 -11.169 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.946 -11.296 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.558 -12.558 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.203 -11.158 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.764 -11.770 5.226 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.018 -7.983 6.127 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.071 -7.006 5.605 1.00 0.00 C ATOM 1254 C PHE A 89 -1.861 -7.698 4.984 1.00 0.00 C ATOM 1255 O PHE A 89 -1.338 -8.669 5.533 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.615 -6.060 6.718 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.540 -4.895 6.930 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.648 -3.897 5.975 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.299 -4.797 8.085 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.497 -2.824 6.167 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.150 -3.726 8.283 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.250 -2.739 7.322 1.00 0.00 C ATOM 0 H PHE A 89 -3.764 -8.373 7.035 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.575 -6.428 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.530 -6.621 7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.620 -5.685 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.062 -3.959 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.225 -5.566 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.572 -2.053 5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.736 -3.661 9.188 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.916 -1.902 7.473 1.00 0.00 H new ATOM 1272 N SER A 90 -1.422 -7.193 3.836 1.00 0.00 N ATOM 1273 CA SER A 90 -0.277 -7.765 3.137 1.00 0.00 C ATOM 1274 C SER A 90 1.001 -7.585 3.951 1.00 0.00 C ATOM 1275 O SER A 90 0.973 -7.055 5.061 1.00 0.00 O ATOM 1276 CB SER A 90 -0.114 -7.114 1.763 1.00 0.00 C ATOM 1277 OG SER A 90 0.088 -5.716 1.880 1.00 0.00 O ATOM 0 H SER A 90 -1.842 -6.389 3.370 1.00 0.00 H new ATOM 0 HA SER A 90 -0.458 -8.832 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.731 -7.564 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.000 -7.307 1.159 1.00 0.00 H new ATOM 0 HG SER A 90 0.764 -5.428 1.232 1.00 0.00 H new ATOM 1283 N GLU A 91 2.121 -8.032 3.390 1.00 0.00 N ATOM 1284 CA GLU A 91 3.409 -7.922 4.065 1.00 0.00 C ATOM 1285 C GLU A 91 3.904 -6.479 4.059 1.00 0.00 C ATOM 1286 O GLU A 91 4.216 -5.921 3.007 1.00 0.00 O ATOM 1287 CB GLU A 91 4.441 -8.829 3.391 1.00 0.00 C ATOM 1288 CG GLU A 91 4.137 -10.311 3.538 1.00 0.00 C ATOM 1289 CD GLU A 91 4.846 -11.157 2.498 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.077 -11.013 2.353 1.00 0.00 O ATOM 1291 OE2 GLU A 91 4.166 -11.965 1.830 1.00 0.00 O ATOM 0 H GLU A 91 2.162 -8.473 2.471 1.00 0.00 H new ATOM 0 HA GLU A 91 3.277 -8.239 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.493 -8.581 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.424 -8.625 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.433 -10.642 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.061 -10.467 3.457 1.00 0.00 H new ATOM 1298 N VAL A 92 3.972 -5.878 5.244 1.00 0.00 N ATOM 1299 CA VAL A 92 4.429 -4.501 5.378 1.00 0.00 C ATOM 1300 C VAL A 92 5.687 -4.256 4.551 1.00 0.00 C ATOM 1301 O VAL A 92 6.763 -4.757 4.878 1.00 0.00 O ATOM 1302 CB VAL A 92 4.716 -4.144 6.848 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.352 -2.766 6.950 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.439 -4.213 7.671 1.00 0.00 C ATOM 0 H VAL A 92 3.716 -6.325 6.125 1.00 0.00 H new ATOM 0 HA VAL A 92 3.625 -3.864 5.009 1.00 0.00 H new ATOM 0 HB VAL A 92 5.420 -4.872 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.547 -2.532 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.290 -2.756 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.675 -2.021 6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.660 -3.958 8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.710 -3.508 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.031 -5.223 7.625 1.00 0.00 H new ATOM 1314 N VAL A 93 5.544 -3.484 3.479 1.00 0.00 N ATOM 1315 CA VAL A 93 6.669 -3.171 2.607 1.00 0.00 C ATOM 1316 C VAL A 93 7.286 -1.823 2.966 1.00 0.00 C ATOM 1317 O VAL A 93 6.744 -0.771 2.628 1.00 0.00 O ATOM 1318 CB VAL A 93 6.243 -3.149 1.127 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.449 -2.929 0.227 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.524 -4.439 0.762 1.00 0.00 C ATOM 0 H VAL A 93 4.660 -3.064 3.194 1.00 0.00 H new ATOM 0 HA VAL A 93 7.410 -3.957 2.753 1.00 0.00 H new ATOM 0 HB VAL A 93 5.552 -2.319 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.128 -2.917 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.918 -1.977 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.166 -3.736 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.230 -4.407 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.190 -5.286 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.636 -4.549 1.385 1.00 0.00 H new ATOM 1330 N ALA A 94 8.423 -1.863 3.653 1.00 0.00 N ATOM 1331 CA ALA A 94 9.115 -0.646 4.056 1.00 0.00 C ATOM 1332 C ALA A 94 9.976 -0.102 2.921 1.00 0.00 C ATOM 1333 O ALA A 94 10.315 -0.826 1.984 1.00 0.00 O ATOM 1334 CB ALA A 94 9.967 -0.907 5.289 1.00 0.00 C ATOM 0 H ALA A 94 8.884 -2.726 3.942 1.00 0.00 H new ATOM 0 HA ALA A 94 8.364 0.106 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.478 0.011 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.330 -1.241 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.704 -1.678 5.065 1.00 0.00 H new ATOM 1340 N CYS A 95 10.325 1.176 3.009 1.00 0.00 N ATOM 1341 CA CYS A 95 11.145 1.818 1.989 1.00 0.00 C ATOM 1342 C CYS A 95 11.804 3.080 2.535 1.00 0.00 C ATOM 1343 O CYS A 95 11.203 3.821 3.312 1.00 0.00 O ATOM 1344 CB CYS A 95 10.296 2.160 0.763 1.00 0.00 C ATOM 1345 SG CYS A 95 9.183 3.565 1.005 1.00 0.00 S ATOM 0 H CYS A 95 10.052 1.789 3.777 1.00 0.00 H new ATOM 0 HA CYS A 95 11.929 1.119 1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.958 2.375 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.706 1.286 0.488 1.00 0.00 H new ATOM 0 HG CYS A 95 8.032 3.306 0.459 1.00 0.00 H new ATOM 1351 N VAL A 96 13.046 3.320 2.123 1.00 0.00 N ATOM 1352 CA VAL A 96 13.787 4.492 2.571 1.00 0.00 C ATOM 1353 C VAL A 96 14.084 5.432 1.408 1.00 0.00 C ATOM 1354 O VAL A 96 14.475 4.994 0.325 1.00 0.00 O ATOM 1355 CB VAL A 96 15.113 4.093 3.246 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.769 5.304 3.893 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.880 2.993 4.269 1.00 0.00 C ATOM 0 H VAL A 96 13.559 2.717 1.480 1.00 0.00 H new ATOM 0 HA VAL A 96 13.158 5.006 3.298 1.00 0.00 H new ATOM 0 HB VAL A 96 15.788 3.709 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.704 5.003 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.973 6.057 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.101 5.721 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.827 2.724 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.187 3.347 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.458 2.119 3.773 1.00 0.00 H new ATOM 1367 N THR A 97 13.896 6.728 1.638 1.00 0.00 N ATOM 1368 CA THR A 97 14.144 7.730 0.610 1.00 0.00 C ATOM 1369 C THR A 97 15.583 8.229 0.663 1.00 0.00 C ATOM 1370 O THR A 97 16.206 8.289 1.723 1.00 0.00 O ATOM 1371 CB THR A 97 13.189 8.931 0.756 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.377 9.552 2.033 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.741 8.493 0.607 1.00 0.00 C ATOM 0 H THR A 97 13.573 7.108 2.528 1.00 0.00 H new ATOM 0 HA THR A 97 13.966 7.248 -0.351 1.00 0.00 H new ATOM 0 HB THR A 97 13.417 9.647 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.576 10.065 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.086 9.358 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.595 8.047 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.502 7.760 1.377 1.00 0.00 H new ATOM 1381 N PRO A 98 16.126 8.597 -0.507 1.00 0.00 N ATOM 1382 CA PRO A 98 17.498 9.100 -0.619 1.00 0.00 C ATOM 1383 C PRO A 98 17.663 10.481 0.003 1.00 0.00 C ATOM 1384 O PRO A 98 16.731 11.284 0.047 1.00 0.00 O ATOM 1385 CB PRO A 98 17.730 9.164 -2.131 1.00 0.00 C ATOM 1386 CG PRO A 98 16.368 9.313 -2.717 1.00 0.00 C ATOM 1387 CD PRO A 98 15.441 8.552 -1.810 1.00 0.00 C ATOM 0 HA PRO A 98 18.209 8.464 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.370 10.005 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.221 8.261 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.081 10.363 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.334 8.916 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.456 9.015 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.295 7.527 -2.152 1.00 0.00 H new ATOM 1395 N PRO A 99 18.877 10.768 0.498 1.00 0.00 N ATOM 1396 CA PRO A 99 19.192 12.054 1.127 1.00 0.00 C ATOM 1397 C PRO A 99 19.223 13.200 0.120 1.00 0.00 C ATOM 1398 O PRO A 99 19.828 13.085 -0.946 1.00 0.00 O ATOM 1399 CB PRO A 99 20.584 11.826 1.722 1.00 0.00 C ATOM 1400 CG PRO A 99 21.179 10.744 0.888 1.00 0.00 C ATOM 1401 CD PRO A 99 20.035 9.859 0.481 1.00 0.00 C ATOM 0 HA PRO A 99 18.441 12.343 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.186 12.734 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.523 11.531 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.683 11.157 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.925 10.183 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.193 9.428 -0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.904 9.028 1.174 1.00 0.00 H new ATOM 1409 N SER A 100 18.570 14.304 0.466 1.00 0.00 N ATOM 1410 CA SER A 100 18.520 15.469 -0.409 1.00 0.00 C ATOM 1411 C SER A 100 19.609 16.472 -0.039 1.00 0.00 C ATOM 1412 O SER A 100 20.410 16.876 -0.883 1.00 0.00 O ATOM 1413 CB SER A 100 17.146 16.136 -0.328 1.00 0.00 C ATOM 1414 OG SER A 100 17.035 17.189 -1.269 1.00 0.00 O ATOM 0 H SER A 100 18.068 14.416 1.347 1.00 0.00 H new ATOM 0 HA SER A 100 18.692 15.133 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.367 15.396 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.985 16.524 0.678 1.00 0.00 H new ATOM 0 HG SER A 100 16.147 17.598 -1.199 1.00 0.00 H new