USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 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 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 112:sc= 0.922 USER MOD Single : A 24 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.87) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.037) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.96! C(o=-3!,f=-6.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00834 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.0732 USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.235 USER MOD Single : A 60 THR OG1 : rot -119:sc= 0.0723 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0118 F(o=-1.6,f=-0.012) USER MOD Single : A 72 SER OG : rot -140:sc= -5.23! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 150:sc= -1.24 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 79 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00227 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 -1.419 -10.918 10.590 1.00 0.00 N ATOM 2 CA SER A 14 -0.911 -10.296 9.373 1.00 0.00 C ATOM 3 C SER A 14 -1.283 -11.121 8.145 1.00 0.00 C ATOM 4 O SER A 14 -0.576 -12.059 7.778 1.00 0.00 O ATOM 5 CB SER A 14 0.608 -10.135 9.454 1.00 0.00 C ATOM 6 OG SER A 14 1.131 -9.616 8.244 1.00 0.00 O ATOM 0 HA SER A 14 -1.369 -9.311 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.863 -9.470 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.068 -11.100 9.669 1.00 0.00 H new ATOM 0 HG SER A 14 2.103 -9.521 8.322 1.00 0.00 H new ATOM 12 N GLY A 15 -2.397 -10.764 7.515 1.00 0.00 N ATOM 13 CA GLY A 15 -2.844 -11.482 6.335 1.00 0.00 C ATOM 14 C GLY A 15 -2.091 -11.069 5.086 1.00 0.00 C ATOM 15 O GLY A 15 -0.862 -11.121 5.048 1.00 0.00 O ATOM 0 H GLY A 15 -2.998 -9.991 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.717 -12.553 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.910 -11.306 6.188 1.00 0.00 H new ATOM 19 N GLY A 16 -2.831 -10.659 4.061 1.00 0.00 N ATOM 20 CA GLY A 16 -2.209 -10.243 2.817 1.00 0.00 C ATOM 21 C GLY A 16 -2.154 -8.735 2.673 1.00 0.00 C ATOM 22 O GLY A 16 -2.166 -8.211 1.563 1.00 0.00 O ATOM 0 H GLY A 16 -3.850 -10.607 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.198 -10.647 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.763 -10.665 1.978 1.00 0.00 H new ATOM 26 N CYS A 17 -2.084 -8.037 3.800 1.00 0.00 N ATOM 27 CA CYS A 17 -2.016 -6.586 3.809 1.00 0.00 C ATOM 28 C CYS A 17 -0.925 -6.125 4.759 1.00 0.00 C ATOM 29 O CYS A 17 -0.775 -6.662 5.857 1.00 0.00 O ATOM 30 CB CYS A 17 -3.360 -5.976 4.217 1.00 0.00 C ATOM 31 SG CYS A 17 -4.179 -6.820 5.592 1.00 0.00 S ATOM 0 H CYS A 17 -2.073 -8.461 4.728 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.781 -6.248 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.203 -4.932 4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.026 -5.984 3.354 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.304 -6.225 5.858 1.00 0.00 H new ATOM 37 N GLU A 18 -0.164 -5.131 4.334 1.00 0.00 N ATOM 38 CA GLU A 18 0.919 -4.599 5.152 1.00 0.00 C ATOM 39 C GLU A 18 0.795 -3.096 5.277 1.00 0.00 C ATOM 40 O GLU A 18 0.327 -2.435 4.366 1.00 0.00 O ATOM 41 CB GLU A 18 2.279 -4.967 4.558 1.00 0.00 C ATOM 42 CG GLU A 18 3.462 -4.428 5.348 1.00 0.00 C ATOM 43 CD GLU A 18 3.477 -4.919 6.782 1.00 0.00 C ATOM 44 OE1 GLU A 18 3.893 -6.075 7.010 1.00 0.00 O ATOM 45 OE2 GLU A 18 3.072 -4.149 7.678 1.00 0.00 O ATOM 0 H GLU A 18 -0.274 -4.675 3.428 1.00 0.00 H new ATOM 0 HA GLU A 18 0.845 -5.043 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.358 -6.053 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.333 -4.588 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.388 -4.725 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.433 -3.338 5.341 1.00 0.00 H new ATOM 52 N LEU A 19 1.224 -2.562 6.402 1.00 0.00 N ATOM 53 CA LEU A 19 1.151 -1.118 6.615 1.00 0.00 C ATOM 54 C LEU A 19 2.274 -0.415 5.871 1.00 0.00 C ATOM 55 O LEU A 19 3.440 -0.796 5.962 1.00 0.00 O ATOM 56 CB LEU A 19 1.205 -0.745 8.098 1.00 0.00 C ATOM 57 CG LEU A 19 0.682 -1.800 9.073 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.622 -1.235 10.483 1.00 0.00 C ATOM 59 CD2 LEU A 19 -0.690 -2.300 8.640 1.00 0.00 C ATOM 0 H LEU A 19 1.623 -3.091 7.177 1.00 0.00 H new ATOM 0 HA LEU A 19 0.188 -0.789 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.239 -0.519 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.632 0.171 8.243 1.00 0.00 H new ATOM 0 HG LEU A 19 1.371 -2.645 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.248 -1.998 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.620 -0.928 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.045 -0.373 10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.044 -3.050 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.390 -1.465 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.619 -2.743 7.647 1.00 0.00 H new ATOM 71 N THR A 20 1.898 0.613 5.132 1.00 0.00 N ATOM 72 CA THR A 20 2.845 1.392 4.350 1.00 0.00 C ATOM 73 C THR A 20 2.505 2.875 4.413 1.00 0.00 C ATOM 74 O THR A 20 1.349 3.252 4.612 1.00 0.00 O ATOM 75 CB THR A 20 2.867 0.915 2.896 1.00 0.00 C ATOM 76 OG1 THR A 20 3.877 1.585 2.164 1.00 0.00 O ATOM 77 CG2 THR A 20 1.557 1.130 2.169 1.00 0.00 C ATOM 0 H THR A 20 0.932 0.932 5.056 1.00 0.00 H new ATOM 0 HA THR A 20 3.837 1.246 4.778 1.00 0.00 H new ATOM 0 HB THR A 20 3.060 -0.156 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.584 0.950 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.646 0.769 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.764 0.583 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.317 2.193 2.159 1.00 0.00 H new ATOM 85 N VAL A 21 3.516 3.709 4.230 1.00 0.00 N ATOM 86 CA VAL A 21 3.339 5.150 4.251 1.00 0.00 C ATOM 87 C VAL A 21 3.703 5.731 2.898 1.00 0.00 C ATOM 88 O VAL A 21 4.752 5.407 2.341 1.00 0.00 O ATOM 89 CB VAL A 21 4.205 5.822 5.335 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.541 5.714 6.698 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.608 5.230 5.370 1.00 0.00 C ATOM 0 H VAL A 21 4.476 3.408 4.064 1.00 0.00 H new ATOM 0 HA VAL A 21 2.292 5.347 4.481 1.00 0.00 H new ATOM 0 HB VAL A 21 4.296 6.878 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.169 6.195 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.569 6.206 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.408 4.663 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.193 5.726 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.548 4.164 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.089 5.377 4.403 1.00 0.00 H new ATOM 101 N VAL A 22 2.837 6.576 2.359 1.00 0.00 N ATOM 102 CA VAL A 22 3.093 7.168 1.066 1.00 0.00 C ATOM 103 C VAL A 22 4.179 8.226 1.146 1.00 0.00 C ATOM 104 O VAL A 22 4.114 9.144 1.964 1.00 0.00 O ATOM 105 CB VAL A 22 1.832 7.780 0.422 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.129 6.751 -0.440 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.877 8.366 1.453 1.00 0.00 C ATOM 0 H VAL A 22 1.961 6.862 2.796 1.00 0.00 H new ATOM 0 HA VAL A 22 3.428 6.348 0.431 1.00 0.00 H new ATOM 0 HB VAL A 22 2.160 8.607 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.241 7.197 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.803 6.415 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.837 5.900 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.007 8.783 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.556 7.582 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.383 9.153 2.012 1.00 0.00 H new ATOM 117 N LEU A 23 5.183 8.081 0.294 1.00 0.00 N ATOM 118 CA LEU A 23 6.293 9.012 0.267 1.00 0.00 C ATOM 119 C LEU A 23 5.918 10.314 -0.435 1.00 0.00 C ATOM 120 O LEU A 23 6.544 11.348 -0.208 1.00 0.00 O ATOM 121 CB LEU A 23 7.516 8.385 -0.413 1.00 0.00 C ATOM 122 CG LEU A 23 7.687 6.876 -0.210 1.00 0.00 C ATOM 123 CD1 LEU A 23 9.001 6.403 -0.810 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.617 6.523 1.269 1.00 0.00 C ATOM 0 H LEU A 23 5.249 7.325 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 23 6.544 9.244 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.456 8.585 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.411 8.887 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 23 6.871 6.366 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.105 5.329 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.012 6.620 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.829 6.921 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.741 5.447 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.411 7.043 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.650 6.825 1.670 1.00 0.00 H new ATOM 136 N GLN A 24 4.907 10.264 -1.300 1.00 0.00 N ATOM 137 CA GLN A 24 4.475 11.440 -2.024 1.00 0.00 C ATOM 138 C GLN A 24 2.955 11.439 -2.191 1.00 0.00 C ATOM 139 O GLN A 24 2.337 10.378 -2.271 1.00 0.00 O ATOM 140 CB GLN A 24 5.201 11.489 -3.371 1.00 0.00 C ATOM 141 CG GLN A 24 4.661 10.562 -4.441 1.00 0.00 C ATOM 142 CD GLN A 24 4.922 11.076 -5.843 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.993 11.425 -6.572 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.192 11.126 -6.228 1.00 0.00 N ATOM 0 H GLN A 24 4.377 9.419 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 24 4.729 12.339 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.161 12.511 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.252 11.251 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.117 9.578 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.588 10.435 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.930 10.827 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.429 11.464 -7.161 1.00 0.00 H new ATOM 153 N ASP A 25 2.356 12.624 -2.251 1.00 0.00 N ATOM 154 CA ASP A 25 0.909 12.719 -2.418 1.00 0.00 C ATOM 155 C ASP A 25 0.528 12.220 -3.802 1.00 0.00 C ATOM 156 O ASP A 25 1.281 12.373 -4.764 1.00 0.00 O ATOM 157 CB ASP A 25 0.351 14.148 -2.233 1.00 0.00 C ATOM 158 CG ASP A 25 1.338 15.153 -1.658 1.00 0.00 C ATOM 159 OD1 ASP A 25 1.472 15.210 -0.416 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.973 15.881 -2.448 1.00 0.00 O ATOM 0 H ASP A 25 2.840 13.519 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 25 0.469 12.103 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.004 14.514 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.519 14.100 -1.578 1.00 0.00 H new ATOM 165 N PHE A 26 -0.643 11.631 -3.886 1.00 0.00 N ATOM 166 CA PHE A 26 -1.150 11.106 -5.140 1.00 0.00 C ATOM 167 C PHE A 26 -2.645 11.276 -5.233 1.00 0.00 C ATOM 168 O PHE A 26 -3.335 11.316 -4.225 1.00 0.00 O ATOM 169 CB PHE A 26 -0.813 9.630 -5.292 1.00 0.00 C ATOM 170 CG PHE A 26 -1.096 9.096 -6.668 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.164 9.234 -7.684 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.295 8.457 -6.945 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.423 8.745 -8.950 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.559 7.967 -8.209 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.622 8.111 -9.213 1.00 0.00 C ATOM 0 H PHE A 26 -1.271 11.501 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.671 11.670 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.241 9.479 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.385 9.057 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.775 9.729 -7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.031 8.341 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.311 8.858 -9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.497 7.472 -8.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.826 7.729 -10.202 1.00 0.00 H new ATOM 185 N SER A 27 -3.140 11.364 -6.447 1.00 0.00 N ATOM 186 CA SER A 27 -4.542 11.498 -6.685 1.00 0.00 C ATOM 187 C SER A 27 -4.993 10.389 -7.620 1.00 0.00 C ATOM 188 O SER A 27 -4.301 10.055 -8.582 1.00 0.00 O ATOM 189 CB SER A 27 -4.819 12.851 -7.300 1.00 0.00 C ATOM 190 OG SER A 27 -3.710 13.312 -8.051 1.00 0.00 O ATOM 0 H SER A 27 -2.572 11.344 -7.294 1.00 0.00 H new ATOM 0 HA SER A 27 -5.092 11.420 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.696 12.787 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.052 13.569 -6.514 1.00 0.00 H new ATOM 0 HG SER A 27 -3.918 14.188 -8.438 1.00 0.00 H new ATOM 196 N ALA A 28 -6.130 9.799 -7.308 1.00 0.00 N ATOM 197 CA ALA A 28 -6.671 8.700 -8.080 1.00 0.00 C ATOM 198 C ALA A 28 -6.723 8.965 -9.578 1.00 0.00 C ATOM 199 O ALA A 28 -6.266 9.997 -10.070 1.00 0.00 O ATOM 200 CB ALA A 28 -8.057 8.359 -7.581 1.00 0.00 C ATOM 0 H ALA A 28 -6.705 10.069 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.988 7.863 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.460 7.532 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.005 8.071 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.706 9.228 -7.687 1.00 0.00 H new ATOM 206 N ALA A 29 -7.298 7.998 -10.288 1.00 0.00 N ATOM 207 CA ALA A 29 -7.446 8.057 -11.738 1.00 0.00 C ATOM 208 C ALA A 29 -7.952 6.721 -12.270 1.00 0.00 C ATOM 209 O ALA A 29 -8.665 6.674 -13.272 1.00 0.00 O ATOM 210 CB ALA A 29 -6.127 8.427 -12.412 1.00 0.00 C ATOM 0 H ALA A 29 -7.676 7.147 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.175 8.833 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.268 8.463 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.798 9.403 -12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.372 7.679 -12.170 1.00 0.00 H new ATOM 216 N HIS A 30 -7.575 5.632 -11.596 1.00 0.00 N ATOM 217 CA HIS A 30 -7.993 4.302 -12.011 1.00 0.00 C ATOM 218 C HIS A 30 -9.080 3.736 -11.097 1.00 0.00 C ATOM 219 O HIS A 30 -9.494 4.359 -10.114 1.00 0.00 O ATOM 220 CB HIS A 30 -6.797 3.349 -12.062 1.00 0.00 C ATOM 221 CG HIS A 30 -6.793 2.458 -13.266 1.00 0.00 C ATOM 222 ND1 HIS A 30 -6.753 1.083 -13.184 1.00 0.00 N ATOM 223 CD2 HIS A 30 -6.829 2.754 -14.587 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.763 0.571 -14.403 1.00 0.00 C ATOM 225 NE2 HIS A 30 -6.809 1.563 -15.272 1.00 0.00 N ATOM 0 H HIS A 30 -6.984 5.650 -10.765 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.415 4.395 -13.012 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.877 3.933 -12.049 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.796 2.732 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.866 3.742 -15.021 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.738 -0.481 -14.646 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.827 1.462 -16.287 1.00 0.00 H new ATOM 234 N SER A 31 -9.538 2.541 -11.445 1.00 0.00 N ATOM 235 CA SER A 31 -10.594 1.847 -10.706 1.00 0.00 C ATOM 236 C SER A 31 -10.371 1.877 -9.198 1.00 0.00 C ATOM 237 O SER A 31 -11.118 2.523 -8.464 1.00 0.00 O ATOM 238 CB SER A 31 -10.698 0.396 -11.180 1.00 0.00 C ATOM 239 OG SER A 31 -11.261 0.323 -12.478 1.00 0.00 O ATOM 0 H SER A 31 -9.189 2.021 -12.250 1.00 0.00 H new ATOM 0 HA SER A 31 -11.525 2.376 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.708 -0.061 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.310 -0.175 -10.482 1.00 0.00 H new ATOM 0 HG SER A 31 -11.315 -0.614 -12.759 1.00 0.00 H new ATOM 245 N SER A 32 -9.351 1.166 -8.743 1.00 0.00 N ATOM 246 CA SER A 32 -9.048 1.102 -7.323 1.00 0.00 C ATOM 247 C SER A 32 -8.047 2.180 -6.911 1.00 0.00 C ATOM 248 O SER A 32 -7.125 1.912 -6.143 1.00 0.00 O ATOM 249 CB SER A 32 -8.507 -0.285 -6.962 1.00 0.00 C ATOM 250 OG SER A 32 -8.871 -1.246 -7.938 1.00 0.00 O ATOM 0 H SER A 32 -8.720 0.626 -9.336 1.00 0.00 H new ATOM 0 HA SER A 32 -9.974 1.282 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.421 -0.244 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.893 -0.587 -5.988 1.00 0.00 H new ATOM 0 HG SER A 32 -8.512 -2.122 -7.685 1.00 0.00 H new ATOM 256 N GLU A 33 -8.223 3.400 -7.425 1.00 0.00 N ATOM 257 CA GLU A 33 -7.333 4.490 -7.098 1.00 0.00 C ATOM 258 C GLU A 33 -7.995 5.487 -6.164 1.00 0.00 C ATOM 259 O GLU A 33 -9.217 5.635 -6.157 1.00 0.00 O ATOM 260 CB GLU A 33 -6.913 5.194 -8.375 1.00 0.00 C ATOM 261 CG GLU A 33 -5.701 4.573 -9.007 1.00 0.00 C ATOM 262 CD GLU A 33 -4.718 5.592 -9.550 1.00 0.00 C ATOM 263 OE1 GLU A 33 -5.162 6.553 -10.209 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.502 5.425 -9.318 1.00 0.00 O ATOM 0 H GLU A 33 -8.976 3.646 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.461 4.078 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.739 5.173 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.707 6.242 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.196 3.948 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.018 3.917 -9.818 1.00 0.00 H new ATOM 271 N LEU A 34 -7.177 6.184 -5.392 1.00 0.00 N ATOM 272 CA LEU A 34 -7.666 7.185 -4.471 1.00 0.00 C ATOM 273 C LEU A 34 -6.600 8.241 -4.237 1.00 0.00 C ATOM 274 O LEU A 34 -5.439 8.046 -4.587 1.00 0.00 O ATOM 275 CB LEU A 34 -8.091 6.558 -3.149 1.00 0.00 C ATOM 276 CG LEU A 34 -7.354 5.286 -2.723 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.102 5.627 -1.951 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.260 4.443 -1.858 1.00 0.00 C ATOM 0 H LEU A 34 -6.163 6.070 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.543 7.656 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.966 7.303 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.156 6.331 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.073 4.732 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.594 4.708 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.440 6.224 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.368 6.195 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.734 3.537 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.547 5.009 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.153 4.173 -2.422 1.00 0.00 H new ATOM 290 N SER A 35 -6.998 9.357 -3.652 1.00 0.00 N ATOM 291 CA SER A 35 -6.082 10.431 -3.378 1.00 0.00 C ATOM 292 C SER A 35 -5.441 10.252 -2.018 1.00 0.00 C ATOM 293 O SER A 35 -6.117 10.124 -0.998 1.00 0.00 O ATOM 294 CB SER A 35 -6.784 11.778 -3.446 1.00 0.00 C ATOM 295 OG SER A 35 -8.121 11.684 -2.983 1.00 0.00 O ATOM 0 H SER A 35 -7.958 9.536 -3.359 1.00 0.00 H new ATOM 0 HA SER A 35 -5.304 10.407 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.239 12.506 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.777 12.143 -4.473 1.00 0.00 H new ATOM 0 HG SER A 35 -8.548 12.564 -3.036 1.00 0.00 H new ATOM 301 N ILE A 36 -4.128 10.240 -2.031 1.00 0.00 N ATOM 302 CA ILE A 36 -3.339 10.074 -0.828 1.00 0.00 C ATOM 303 C ILE A 36 -2.354 11.224 -0.675 1.00 0.00 C ATOM 304 O ILE A 36 -2.115 11.983 -1.613 1.00 0.00 O ATOM 305 CB ILE A 36 -2.565 8.735 -0.836 1.00 0.00 C ATOM 306 CG1 ILE A 36 -2.051 8.416 -2.252 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.437 7.607 -0.286 1.00 0.00 C ATOM 308 CD1 ILE A 36 -3.102 7.877 -3.206 1.00 0.00 C ATOM 0 H ILE A 36 -3.573 10.346 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.030 10.069 0.015 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.697 8.829 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.623 9.322 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.244 7.688 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.875 6.673 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.730 7.840 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.329 7.503 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.646 7.682 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.515 6.951 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.900 8.611 -3.320 1.00 0.00 H new ATOM 320 N GLN A 37 -1.800 11.349 0.517 1.00 0.00 N ATOM 321 CA GLN A 37 -0.856 12.399 0.824 1.00 0.00 C ATOM 322 C GLN A 37 0.387 11.853 1.509 1.00 0.00 C ATOM 323 O GLN A 37 0.325 10.895 2.274 1.00 0.00 O ATOM 324 CB GLN A 37 -1.525 13.440 1.706 1.00 0.00 C ATOM 325 CG GLN A 37 -2.149 14.585 0.927 1.00 0.00 C ATOM 326 CD GLN A 37 -3.588 14.854 1.324 1.00 0.00 C ATOM 327 OE1 GLN A 37 -3.855 15.609 2.259 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.523 14.235 0.613 1.00 0.00 N ATOM 0 H GLN A 37 -1.995 10.723 1.298 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.540 12.858 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.296 12.956 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.788 13.843 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.559 15.488 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.108 14.358 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.256 13.618 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.509 14.377 0.834 1.00 0.00 H new ATOM 337 N VAL A 38 1.512 12.486 1.228 1.00 0.00 N ATOM 338 CA VAL A 38 2.791 12.093 1.804 1.00 0.00 C ATOM 339 C VAL A 38 2.767 12.178 3.334 1.00 0.00 C ATOM 340 O VAL A 38 2.491 13.239 3.896 1.00 0.00 O ATOM 341 CB VAL A 38 3.922 13.002 1.277 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.632 14.460 1.603 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.275 12.584 1.841 1.00 0.00 C ATOM 0 H VAL A 38 1.568 13.285 0.596 1.00 0.00 H new ATOM 0 HA VAL A 38 2.973 11.060 1.508 1.00 0.00 H new ATOM 0 HB VAL A 38 3.964 12.891 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.440 15.085 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.693 14.757 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.555 14.583 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.051 13.243 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.253 12.653 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.490 11.557 1.547 1.00 0.00 H new ATOM 353 N GLY A 39 3.096 11.074 4.002 1.00 0.00 N ATOM 354 CA GLY A 39 3.143 11.081 5.457 1.00 0.00 C ATOM 355 C GLY A 39 2.098 10.215 6.126 1.00 0.00 C ATOM 356 O GLY A 39 2.284 9.790 7.267 1.00 0.00 O ATOM 0 H GLY A 39 3.329 10.181 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.130 10.748 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.024 12.107 5.806 1.00 0.00 H new ATOM 360 N GLN A 40 0.995 9.965 5.443 1.00 0.00 N ATOM 361 CA GLN A 40 -0.068 9.166 6.006 1.00 0.00 C ATOM 362 C GLN A 40 0.276 7.684 6.009 1.00 0.00 C ATOM 363 O GLN A 40 1.257 7.256 5.402 1.00 0.00 O ATOM 364 CB GLN A 40 -1.357 9.421 5.247 1.00 0.00 C ATOM 365 CG GLN A 40 -1.379 8.805 3.877 1.00 0.00 C ATOM 366 CD GLN A 40 -2.609 9.179 3.080 1.00 0.00 C ATOM 367 OE1 GLN A 40 -2.830 10.350 2.770 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.417 8.185 2.745 1.00 0.00 N ATOM 0 H GLN A 40 0.816 10.306 4.498 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.200 9.462 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.193 9.030 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.508 10.497 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.490 9.118 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.330 7.720 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.193 7.230 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.263 8.375 2.208 1.00 0.00 H new ATOM 377 N THR A 41 -0.555 6.905 6.688 1.00 0.00 N ATOM 378 CA THR A 41 -0.356 5.462 6.762 1.00 0.00 C ATOM 379 C THR A 41 -1.547 4.710 6.206 1.00 0.00 C ATOM 380 O THR A 41 -2.652 4.779 6.746 1.00 0.00 O ATOM 381 CB THR A 41 -0.104 4.975 8.203 1.00 0.00 C ATOM 382 OG1 THR A 41 1.188 5.358 8.646 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.226 3.450 8.362 1.00 0.00 C ATOM 0 H THR A 41 -1.372 7.246 7.195 1.00 0.00 H new ATOM 0 HA THR A 41 0.529 5.256 6.160 1.00 0.00 H new ATOM 0 HB THR A 41 -0.880 5.446 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.327 5.041 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.037 3.176 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.231 3.134 8.081 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.503 2.958 7.718 1.00 0.00 H new ATOM 391 N VAL A 42 -1.291 3.931 5.183 1.00 0.00 N ATOM 392 CA VAL A 42 -2.301 3.090 4.615 1.00 0.00 C ATOM 393 C VAL A 42 -1.673 1.739 4.304 1.00 0.00 C ATOM 394 O VAL A 42 -0.534 1.652 3.851 1.00 0.00 O ATOM 395 CB VAL A 42 -2.981 3.736 3.380 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.310 2.705 2.331 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.256 4.456 3.790 1.00 0.00 C ATOM 0 H VAL A 42 -0.381 3.866 4.727 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.109 2.952 5.333 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.275 4.452 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.785 3.191 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.394 2.214 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.989 1.963 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.720 4.903 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.947 3.744 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.017 5.237 4.511 1.00 0.00 H new ATOM 407 N GLU A 43 -2.425 0.699 4.584 1.00 0.00 N ATOM 408 CA GLU A 43 -1.958 -0.653 4.375 1.00 0.00 C ATOM 409 C GLU A 43 -2.040 -1.064 2.907 1.00 0.00 C ATOM 410 O GLU A 43 -3.074 -0.915 2.268 1.00 0.00 O ATOM 411 CB GLU A 43 -2.789 -1.617 5.218 1.00 0.00 C ATOM 412 CG GLU A 43 -4.255 -1.658 4.812 1.00 0.00 C ATOM 413 CD GLU A 43 -5.131 -2.334 5.847 1.00 0.00 C ATOM 414 OE1 GLU A 43 -4.643 -3.267 6.521 1.00 0.00 O ATOM 415 OE2 GLU A 43 -6.306 -1.932 5.986 1.00 0.00 O ATOM 0 H GLU A 43 -3.371 0.765 4.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.911 -0.692 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.367 -2.619 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.717 -1.327 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.611 -0.641 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.350 -2.184 3.862 1.00 0.00 H new ATOM 422 N LEU A 44 -0.943 -1.594 2.380 1.00 0.00 N ATOM 423 CA LEU A 44 -0.905 -2.035 1.009 1.00 0.00 C ATOM 424 C LEU A 44 -1.679 -3.315 0.823 1.00 0.00 C ATOM 425 O LEU A 44 -1.725 -4.177 1.715 1.00 0.00 O ATOM 426 CB LEU A 44 0.515 -2.234 0.515 1.00 0.00 C ATOM 427 CG LEU A 44 1.427 -3.082 1.414 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.592 -4.483 0.841 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.783 -2.414 1.591 1.00 0.00 C ATOM 0 H LEU A 44 -0.070 -1.725 2.891 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.370 -1.244 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.474 -2.699 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.975 -1.254 0.386 1.00 0.00 H new ATOM 0 HG LEU A 44 0.957 -3.164 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.241 -5.068 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.617 -4.965 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.036 -4.420 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.412 -3.032 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.260 -2.296 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.649 -1.435 2.051 1.00 0.00 H new ATOM 441 N LEU A 45 -2.271 -3.417 -0.358 1.00 0.00 N ATOM 442 CA LEU A 45 -3.066 -4.574 -0.737 1.00 0.00 C ATOM 443 C LEU A 45 -2.166 -5.764 -1.057 1.00 0.00 C ATOM 444 O LEU A 45 -2.310 -6.832 -0.468 1.00 0.00 O ATOM 445 CB LEU A 45 -3.956 -4.250 -1.945 1.00 0.00 C ATOM 446 CG LEU A 45 -4.623 -2.865 -1.940 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.087 -2.497 -3.346 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.797 -2.836 -0.976 1.00 0.00 C ATOM 0 H LEU A 45 -2.213 -2.699 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.705 -4.834 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.353 -4.337 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.737 -5.007 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.888 -2.132 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.558 -1.514 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.229 -2.477 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.806 -3.237 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.254 -1.846 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.534 -3.580 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.446 -3.061 0.031 1.00 0.00 H new ATOM 460 N GLU A 46 -1.236 -5.581 -1.994 1.00 0.00 N ATOM 461 CA GLU A 46 -0.333 -6.634 -2.377 1.00 0.00 C ATOM 462 C GLU A 46 1.087 -6.078 -2.539 1.00 0.00 C ATOM 463 O GLU A 46 1.426 -5.053 -1.948 1.00 0.00 O ATOM 464 CB GLU A 46 -0.841 -7.287 -3.662 1.00 0.00 C ATOM 465 CG GLU A 46 -0.785 -6.388 -4.883 1.00 0.00 C ATOM 466 CD GLU A 46 -0.370 -7.134 -6.136 1.00 0.00 C ATOM 467 OE1 GLU A 46 0.635 -7.871 -6.082 1.00 0.00 O ATOM 468 OE2 GLU A 46 -1.053 -6.982 -7.170 1.00 0.00 O ATOM 0 H GLU A 46 -1.098 -4.704 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.294 -7.397 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.252 -8.183 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.871 -7.609 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.764 -5.935 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.083 -5.575 -4.699 1.00 0.00 H new ATOM 475 N ARG A 47 1.916 -6.757 -3.323 1.00 0.00 N ATOM 476 CA ARG A 47 3.297 -6.331 -3.538 1.00 0.00 C ATOM 477 C ARG A 47 3.692 -6.459 -5.012 1.00 0.00 C ATOM 478 O ARG A 47 2.966 -7.065 -5.797 1.00 0.00 O ATOM 479 CB ARG A 47 4.237 -7.168 -2.668 1.00 0.00 C ATOM 480 CG ARG A 47 4.662 -6.469 -1.386 1.00 0.00 C ATOM 481 CD ARG A 47 4.845 -7.460 -0.247 1.00 0.00 C ATOM 482 NE ARG A 47 6.118 -8.171 -0.339 1.00 0.00 N ATOM 483 CZ ARG A 47 6.569 -9.020 0.585 1.00 0.00 C ATOM 484 NH1 ARG A 47 5.857 -9.272 1.678 1.00 0.00 N ATOM 485 NH2 ARG A 47 7.739 -9.622 0.414 1.00 0.00 N ATOM 0 H ARG A 47 1.656 -7.608 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 47 3.380 -5.281 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.745 -8.107 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.126 -7.420 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.595 -5.931 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.912 -5.728 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.793 -6.932 0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.026 -8.180 -0.258 1.00 0.00 H new ATOM 0 HE ARG A 47 6.698 -8.008 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.956 -8.814 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.211 -9.923 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.291 -9.435 -0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.086 -10.272 1.119 1.00 0.00 H new ATOM 499 N PRO A 48 4.853 -5.885 -5.413 1.00 0.00 N ATOM 500 CA PRO A 48 5.332 -5.945 -6.805 1.00 0.00 C ATOM 501 C PRO A 48 5.582 -7.378 -7.284 1.00 0.00 C ATOM 502 O PRO A 48 6.728 -7.807 -7.417 1.00 0.00 O ATOM 503 CB PRO A 48 6.648 -5.157 -6.773 1.00 0.00 C ATOM 504 CG PRO A 48 7.059 -5.136 -5.343 1.00 0.00 C ATOM 505 CD PRO A 48 5.787 -5.130 -4.551 1.00 0.00 C ATOM 0 HA PRO A 48 4.594 -5.540 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.407 -5.634 -7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.511 -4.146 -7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.667 -6.007 -5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.661 -4.254 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.915 -5.607 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.433 -4.116 -4.364 1.00 0.00 H new ATOM 513 N SER A 49 4.504 -8.114 -7.541 1.00 0.00 N ATOM 514 CA SER A 49 4.614 -9.492 -8.006 1.00 0.00 C ATOM 515 C SER A 49 4.791 -9.546 -9.513 1.00 0.00 C ATOM 516 O SER A 49 5.664 -10.242 -10.031 1.00 0.00 O ATOM 517 CB SER A 49 3.379 -10.293 -7.594 1.00 0.00 C ATOM 518 OG SER A 49 3.385 -10.562 -6.204 1.00 0.00 O ATOM 0 H SER A 49 3.546 -7.779 -7.435 1.00 0.00 H new ATOM 0 HA SER A 49 5.495 -9.935 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.478 -9.738 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.349 -11.231 -8.149 1.00 0.00 H new ATOM 0 HG SER A 49 2.584 -11.074 -5.966 1.00 0.00 H new ATOM 524 N GLU A 50 3.951 -8.801 -10.204 1.00 0.00 N ATOM 525 CA GLU A 50 3.980 -8.733 -11.645 1.00 0.00 C ATOM 526 C GLU A 50 4.768 -7.514 -12.105 1.00 0.00 C ATOM 527 O GLU A 50 5.524 -7.568 -13.075 1.00 0.00 O ATOM 528 CB GLU A 50 2.550 -8.687 -12.158 1.00 0.00 C ATOM 529 CG GLU A 50 1.839 -7.385 -11.869 1.00 0.00 C ATOM 530 CD GLU A 50 0.340 -7.476 -12.076 1.00 0.00 C ATOM 531 OE1 GLU A 50 -0.116 -7.256 -13.218 1.00 0.00 O ATOM 532 OE2 GLU A 50 -0.378 -7.767 -11.097 1.00 0.00 O ATOM 0 H GLU A 50 3.227 -8.224 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 50 4.479 -9.614 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.555 -8.856 -13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.987 -9.505 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.042 -7.086 -10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.244 -6.605 -12.513 1.00 0.00 H new ATOM 539 N ARG A 51 4.593 -6.423 -11.375 1.00 0.00 N ATOM 540 CA ARG A 51 5.295 -5.174 -11.667 1.00 0.00 C ATOM 541 C ARG A 51 6.256 -4.839 -10.524 1.00 0.00 C ATOM 542 O ARG A 51 5.848 -4.816 -9.363 1.00 0.00 O ATOM 543 CB ARG A 51 4.320 -4.006 -11.885 1.00 0.00 C ATOM 544 CG ARG A 51 3.005 -4.128 -11.132 1.00 0.00 C ATOM 545 CD ARG A 51 1.987 -3.110 -11.620 1.00 0.00 C ATOM 546 NE ARG A 51 1.836 -3.139 -13.073 1.00 0.00 N ATOM 547 CZ ARG A 51 1.294 -2.151 -13.788 1.00 0.00 C ATOM 548 NH1 ARG A 51 0.850 -1.050 -13.192 1.00 0.00 N ATOM 549 NH2 ARG A 51 1.199 -2.266 -15.106 1.00 0.00 N ATOM 0 H ARG A 51 3.968 -6.374 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 51 5.854 -5.317 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.811 -3.080 -11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.107 -3.923 -12.951 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.604 -5.134 -11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.181 -3.986 -10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.023 -3.308 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.294 -2.112 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 51 2.165 -3.966 -13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.922 -0.954 -12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.437 -0.300 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.540 -3.108 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.785 -1.513 -15.655 1.00 0.00 H new ATOM 563 N PRO A 52 7.546 -4.576 -10.820 1.00 0.00 N ATOM 564 CA PRO A 52 8.536 -4.255 -9.813 1.00 0.00 C ATOM 565 C PRO A 52 8.736 -2.758 -9.665 1.00 0.00 C ATOM 566 O PRO A 52 9.190 -2.086 -10.591 1.00 0.00 O ATOM 567 CB PRO A 52 9.788 -4.907 -10.385 1.00 0.00 C ATOM 568 CG PRO A 52 9.636 -4.776 -11.870 1.00 0.00 C ATOM 569 CD PRO A 52 8.160 -4.570 -12.154 1.00 0.00 C ATOM 0 HA PRO A 52 8.259 -4.600 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.691 -4.408 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.864 -5.952 -10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.221 -3.935 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.004 -5.669 -12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.980 -3.629 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.758 -5.364 -12.783 1.00 0.00 H new ATOM 577 N GLY A 53 8.392 -2.242 -8.497 1.00 0.00 N ATOM 578 CA GLY A 53 8.536 -0.825 -8.245 1.00 0.00 C ATOM 579 C GLY A 53 7.240 -0.144 -7.872 1.00 0.00 C ATOM 580 O GLY A 53 7.229 1.052 -7.622 1.00 0.00 O ATOM 0 H GLY A 53 8.015 -2.780 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.258 -0.679 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.946 -0.346 -9.134 1.00 0.00 H new ATOM 584 N TRP A 54 6.150 -0.895 -7.876 1.00 0.00 N ATOM 585 CA TRP A 54 4.837 -0.374 -7.564 1.00 0.00 C ATOM 586 C TRP A 54 4.338 -0.810 -6.176 1.00 0.00 C ATOM 587 O TRP A 54 4.856 -1.758 -5.586 1.00 0.00 O ATOM 588 CB TRP A 54 3.853 -0.801 -8.652 1.00 0.00 C ATOM 589 CG TRP A 54 3.132 -2.091 -8.386 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.624 -3.205 -7.776 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.776 -2.368 -8.701 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.644 -4.174 -7.709 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.499 -3.678 -8.278 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.777 -1.625 -9.310 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.246 -4.262 -8.449 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.467 -2.199 -9.484 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.724 -3.509 -9.056 1.00 0.00 C ATOM 0 H TRP A 54 6.156 -1.890 -8.098 1.00 0.00 H new ATOM 0 HA TRP A 54 4.909 0.713 -7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.115 -0.010 -8.783 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.394 -0.892 -9.594 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.631 -3.314 -7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.753 -5.104 -7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.968 -0.615 -9.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.047 -5.270 -8.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.254 -1.630 -9.957 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.706 -3.933 -9.208 1.00 0.00 H new ATOM 608 N CYS A 55 3.296 -0.129 -5.687 1.00 0.00 N ATOM 609 CA CYS A 55 2.695 -0.474 -4.398 1.00 0.00 C ATOM 610 C CYS A 55 1.243 -0.017 -4.319 1.00 0.00 C ATOM 611 O CYS A 55 0.817 0.899 -5.015 1.00 0.00 O ATOM 612 CB CYS A 55 3.484 0.093 -3.223 1.00 0.00 C ATOM 613 SG CYS A 55 3.880 -1.124 -1.946 1.00 0.00 S ATOM 0 H CYS A 55 2.855 0.659 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 55 2.724 -1.561 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.411 0.527 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.912 0.904 -2.772 1.00 0.00 H new ATOM 0 HG CYS A 55 4.552 -0.550 -0.993 1.00 0.00 H new ATOM 619 N LEU A 56 0.491 -0.696 -3.479 1.00 0.00 N ATOM 620 CA LEU A 56 -0.920 -0.415 -3.299 1.00 0.00 C ATOM 621 C LEU A 56 -1.218 0.187 -1.931 1.00 0.00 C ATOM 622 O LEU A 56 -0.412 0.077 -1.009 1.00 0.00 O ATOM 623 CB LEU A 56 -1.692 -1.705 -3.481 1.00 0.00 C ATOM 624 CG LEU A 56 -1.967 -2.114 -4.931 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.754 -1.868 -5.826 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.357 -3.573 -4.984 1.00 0.00 C ATOM 0 H LEU A 56 0.840 -1.460 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.224 0.324 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.140 -2.509 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.646 -1.613 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.786 -1.499 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.988 -2.170 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.500 -0.808 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.092 -2.450 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.552 -3.860 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.545 -4.181 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.256 -3.731 -4.388 1.00 0.00 H new ATOM 638 N VAL A 57 -2.374 0.844 -1.812 1.00 0.00 N ATOM 639 CA VAL A 57 -2.768 1.478 -0.557 1.00 0.00 C ATOM 640 C VAL A 57 -4.262 1.254 -0.247 1.00 0.00 C ATOM 641 O VAL A 57 -5.118 1.579 -1.057 1.00 0.00 O ATOM 642 CB VAL A 57 -2.465 3.004 -0.596 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.054 3.283 -0.090 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.655 3.583 -1.992 1.00 0.00 C ATOM 0 H VAL A 57 -3.050 0.949 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.183 1.013 0.236 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.180 3.496 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.860 4.355 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.959 2.930 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.332 2.763 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.434 4.650 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.982 3.083 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.686 3.431 -2.312 1.00 0.00 H new ATOM 654 N ARG A 58 -4.573 0.710 0.940 1.00 0.00 N ATOM 655 CA ARG A 58 -5.964 0.461 1.343 1.00 0.00 C ATOM 656 C ARG A 58 -6.448 1.544 2.326 1.00 0.00 C ATOM 657 O ARG A 58 -5.727 1.954 3.227 1.00 0.00 O ATOM 658 CB ARG A 58 -6.081 -0.935 1.983 1.00 0.00 C ATOM 659 CG ARG A 58 -7.310 -1.155 2.874 1.00 0.00 C ATOM 660 CD ARG A 58 -8.618 -1.048 2.099 1.00 0.00 C ATOM 661 NE ARG A 58 -8.469 -1.472 0.706 1.00 0.00 N ATOM 662 CZ ARG A 58 -9.071 -2.544 0.165 1.00 0.00 C ATOM 663 NH1 ARG A 58 -9.943 -3.276 0.856 1.00 0.00 N ATOM 664 NH2 ARG A 58 -8.803 -2.888 -1.083 1.00 0.00 N ATOM 0 H ARG A 58 -3.880 0.435 1.636 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.597 0.500 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.093 -1.680 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.186 -1.119 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.246 -2.139 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.307 -0.421 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.378 -1.660 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.973 -0.018 2.128 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.865 -0.914 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.167 -3.027 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.386 -4.085 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.141 -2.340 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.258 -3.701 -1.497 1.00 0.00 H new ATOM 678 N THR A 59 -7.686 2.000 2.157 1.00 0.00 N ATOM 679 CA THR A 59 -8.236 3.021 3.022 1.00 0.00 C ATOM 680 C THR A 59 -9.090 2.375 4.100 1.00 0.00 C ATOM 681 O THR A 59 -9.990 1.598 3.797 1.00 0.00 O ATOM 682 CB THR A 59 -9.034 3.995 2.157 1.00 0.00 C ATOM 683 OG1 THR A 59 -8.161 4.815 1.402 1.00 0.00 O ATOM 684 CG2 THR A 59 -9.973 4.912 2.908 1.00 0.00 C ATOM 0 H THR A 59 -8.321 1.675 1.428 1.00 0.00 H new ATOM 0 HA THR A 59 -7.447 3.574 3.532 1.00 0.00 H new ATOM 0 HB THR A 59 -9.647 3.347 1.531 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.639 5.619 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.490 5.562 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 59 -10.704 4.316 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.403 5.520 3.610 1.00 0.00 H new ATOM 692 N THR A 60 -8.786 2.685 5.356 1.00 0.00 N ATOM 693 CA THR A 60 -9.519 2.120 6.485 1.00 0.00 C ATOM 694 C THR A 60 -10.197 3.205 7.324 1.00 0.00 C ATOM 695 O THR A 60 -11.059 2.903 8.149 1.00 0.00 O ATOM 696 CB THR A 60 -8.585 1.285 7.364 1.00 0.00 C ATOM 697 OG1 THR A 60 -7.384 0.974 6.678 1.00 0.00 O ATOM 698 CG2 THR A 60 -9.202 -0.021 7.818 1.00 0.00 C ATOM 0 H THR A 60 -8.036 3.325 5.619 1.00 0.00 H new ATOM 0 HA THR A 60 -10.300 1.478 6.077 1.00 0.00 H new ATOM 0 HB THR A 60 -8.388 1.904 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.294 0.001 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.488 -0.565 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.102 0.184 8.397 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.460 -0.624 6.947 1.00 0.00 H new ATOM 706 N GLU A 61 -9.824 4.469 7.109 1.00 0.00 N ATOM 707 CA GLU A 61 -10.431 5.571 7.852 1.00 0.00 C ATOM 708 C GLU A 61 -11.711 6.074 7.178 1.00 0.00 C ATOM 709 O GLU A 61 -12.246 7.120 7.543 1.00 0.00 O ATOM 710 CB GLU A 61 -9.435 6.722 8.012 1.00 0.00 C ATOM 711 CG GLU A 61 -9.511 7.408 9.366 1.00 0.00 C ATOM 712 CD GLU A 61 -8.405 6.967 10.306 1.00 0.00 C ATOM 713 OE1 GLU A 61 -8.511 5.857 10.867 1.00 0.00 O ATOM 714 OE2 GLU A 61 -7.433 7.733 10.480 1.00 0.00 O ATOM 0 H GLU A 61 -9.113 4.751 6.434 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.700 5.190 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.425 6.341 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.616 7.459 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.455 8.488 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.477 7.196 9.823 1.00 0.00 H new ATOM 721 N ARG A 62 -12.201 5.314 6.205 1.00 0.00 N ATOM 722 CA ARG A 62 -13.405 5.645 5.485 1.00 0.00 C ATOM 723 C ARG A 62 -14.154 4.360 5.161 1.00 0.00 C ATOM 724 O ARG A 62 -13.841 3.677 4.186 1.00 0.00 O ATOM 725 CB ARG A 62 -13.046 6.388 4.204 1.00 0.00 C ATOM 726 CG ARG A 62 -13.147 7.896 4.333 1.00 0.00 C ATOM 727 CD ARG A 62 -13.567 8.543 3.023 1.00 0.00 C ATOM 728 NE ARG A 62 -14.291 9.795 3.237 1.00 0.00 N ATOM 729 CZ ARG A 62 -15.586 9.865 3.545 1.00 0.00 C ATOM 730 NH1 ARG A 62 -16.313 8.761 3.680 1.00 0.00 N ATOM 731 NH2 ARG A 62 -16.159 11.049 3.719 1.00 0.00 N ATOM 0 H ARG A 62 -11.763 4.445 5.898 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.041 6.289 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.030 6.123 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.705 6.054 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.868 8.148 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.185 8.300 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.684 8.735 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.196 7.852 2.463 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.773 10.669 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.881 7.847 3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.303 8.828 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.609 11.902 3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.150 11.106 3.955 1.00 0.00 H new ATOM 745 N SER A 63 -15.127 4.026 5.994 1.00 0.00 N ATOM 746 CA SER A 63 -15.902 2.806 5.808 1.00 0.00 C ATOM 747 C SER A 63 -17.045 3.021 4.811 1.00 0.00 C ATOM 748 O SER A 63 -17.779 4.004 4.917 1.00 0.00 O ATOM 749 CB SER A 63 -16.467 2.331 7.149 1.00 0.00 C ATOM 750 OG SER A 63 -15.499 2.441 8.178 1.00 0.00 O ATOM 0 H SER A 63 -15.400 4.581 6.805 1.00 0.00 H new ATOM 0 HA SER A 63 -15.235 2.044 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.345 2.923 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.794 1.295 7.063 1.00 0.00 H new ATOM 0 HG SER A 63 -15.885 2.133 9.025 1.00 0.00 H new ATOM 756 N PRO A 64 -17.223 2.112 3.820 1.00 0.00 N ATOM 757 CA PRO A 64 -16.388 0.912 3.627 1.00 0.00 C ATOM 758 C PRO A 64 -14.999 1.256 3.079 1.00 0.00 C ATOM 759 O PRO A 64 -14.831 2.270 2.404 1.00 0.00 O ATOM 760 CB PRO A 64 -17.174 0.073 2.606 1.00 0.00 C ATOM 761 CG PRO A 64 -18.498 0.750 2.458 1.00 0.00 C ATOM 762 CD PRO A 64 -18.272 2.191 2.802 1.00 0.00 C ATOM 0 HA PRO A 64 -16.207 0.392 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.650 0.026 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.296 -0.953 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.876 0.647 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.240 0.303 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.954 2.770 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.176 2.663 3.186 1.00 0.00 H new ATOM 770 N PRO A 65 -13.979 0.409 3.354 1.00 0.00 N ATOM 771 CA PRO A 65 -12.609 0.637 2.875 1.00 0.00 C ATOM 772 C PRO A 65 -12.553 1.056 1.417 1.00 0.00 C ATOM 773 O PRO A 65 -13.492 0.842 0.651 1.00 0.00 O ATOM 774 CB PRO A 65 -11.939 -0.722 3.058 1.00 0.00 C ATOM 775 CG PRO A 65 -12.661 -1.347 4.203 1.00 0.00 C ATOM 776 CD PRO A 65 -14.080 -0.839 4.142 1.00 0.00 C ATOM 0 HA PRO A 65 -12.127 1.450 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.023 -1.330 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.876 -0.614 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.635 -2.434 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.193 -1.078 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.742 -1.561 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.480 -0.651 5.138 1.00 0.00 H new ATOM 784 N GLN A 66 -11.432 1.644 1.052 1.00 0.00 N ATOM 785 CA GLN A 66 -11.190 2.098 -0.287 1.00 0.00 C ATOM 786 C GLN A 66 -9.845 1.533 -0.720 1.00 0.00 C ATOM 787 O GLN A 66 -9.135 0.959 0.108 1.00 0.00 O ATOM 788 CB GLN A 66 -11.230 3.626 -0.333 1.00 0.00 C ATOM 789 CG GLN A 66 -12.402 4.186 -1.111 1.00 0.00 C ATOM 790 CD GLN A 66 -12.338 5.696 -1.257 1.00 0.00 C ATOM 791 OE1 GLN A 66 -11.200 6.201 -1.720 1.00 0.00 O flip ATOM 792 NE2 GLN A 66 -13.303 6.400 -0.959 1.00 0.00 N flip ATOM 0 H GLN A 66 -10.657 1.819 1.692 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.959 1.751 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.267 4.010 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.304 3.991 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.428 3.730 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.330 3.912 -0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.158 5.970 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.247 7.413 -1.064 1.00 0.00 H new ATOM 801 N GLU A 67 -9.485 1.649 -1.990 1.00 0.00 N ATOM 802 CA GLU A 67 -8.214 1.089 -2.435 1.00 0.00 C ATOM 803 C GLU A 67 -7.481 2.044 -3.350 1.00 0.00 C ATOM 804 O GLU A 67 -8.094 2.837 -4.064 1.00 0.00 O ATOM 805 CB GLU A 67 -8.384 -0.263 -3.137 1.00 0.00 C ATOM 806 CG GLU A 67 -9.737 -0.936 -2.926 1.00 0.00 C ATOM 807 CD GLU A 67 -10.812 -0.378 -3.837 1.00 0.00 C ATOM 808 OE1 GLU A 67 -10.940 -0.872 -4.977 1.00 0.00 O ATOM 809 OE2 GLU A 67 -11.528 0.553 -3.409 1.00 0.00 O ATOM 0 H GLU A 67 -10.035 2.111 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.622 0.930 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.229 -0.122 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.602 -0.937 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.637 -2.007 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.044 -0.810 -1.888 1.00 0.00 H new ATOM 816 N GLY A 68 -6.165 1.969 -3.302 1.00 0.00 N ATOM 817 CA GLY A 68 -5.340 2.850 -4.110 1.00 0.00 C ATOM 818 C GLY A 68 -4.162 2.154 -4.756 1.00 0.00 C ATOM 819 O GLY A 68 -3.662 1.151 -4.245 1.00 0.00 O ATOM 0 H GLY A 68 -5.646 1.313 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.957 3.299 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.972 3.664 -3.485 1.00 0.00 H new ATOM 823 N LEU A 69 -3.712 2.701 -5.880 1.00 0.00 N ATOM 824 CA LEU A 69 -2.582 2.146 -6.606 1.00 0.00 C ATOM 825 C LEU A 69 -1.613 3.236 -7.043 1.00 0.00 C ATOM 826 O LEU A 69 -2.011 4.251 -7.616 1.00 0.00 O ATOM 827 CB LEU A 69 -3.061 1.356 -7.818 1.00 0.00 C ATOM 828 CG LEU A 69 -3.306 -0.121 -7.544 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.594 -0.312 -6.757 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.346 -0.907 -8.844 1.00 0.00 C ATOM 0 H LEU A 69 -4.117 3.533 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.054 1.474 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.984 1.803 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.321 1.449 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.480 -0.501 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.752 -1.374 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.521 0.216 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.432 0.085 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.522 -1.961 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.150 -0.527 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.395 -0.798 -9.365 1.00 0.00 H new ATOM 842 N VAL A 70 -0.339 3.007 -6.765 1.00 0.00 N ATOM 843 CA VAL A 70 0.717 3.945 -7.118 1.00 0.00 C ATOM 844 C VAL A 70 2.045 3.207 -7.118 1.00 0.00 C ATOM 845 O VAL A 70 2.091 2.033 -6.755 1.00 0.00 O ATOM 846 CB VAL A 70 0.796 5.159 -6.147 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.194 6.395 -6.796 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.115 4.877 -4.809 1.00 0.00 C ATOM 0 H VAL A 70 -0.008 2.168 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 70 0.489 4.344 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 70 1.851 5.338 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.256 7.236 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.744 6.632 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.851 6.204 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.197 5.754 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.937 4.648 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.598 4.028 -4.327 1.00 0.00 H new ATOM 858 N PRO A 71 3.151 3.851 -7.512 1.00 0.00 N ATOM 859 CA PRO A 71 4.428 3.195 -7.519 1.00 0.00 C ATOM 860 C PRO A 71 5.148 3.337 -6.185 1.00 0.00 C ATOM 861 O PRO A 71 4.874 4.250 -5.411 1.00 0.00 O ATOM 862 CB PRO A 71 5.183 3.890 -8.637 1.00 0.00 C ATOM 863 CG PRO A 71 4.578 5.261 -8.731 1.00 0.00 C ATOM 864 CD PRO A 71 3.263 5.237 -7.972 1.00 0.00 C ATOM 0 HA PRO A 71 4.342 2.119 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.249 3.945 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.079 3.349 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.251 6.006 -8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.414 5.536 -9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.271 5.937 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.426 5.515 -8.613 1.00 0.00 H new ATOM 872 N SER A 72 6.065 2.418 -5.928 1.00 0.00 N ATOM 873 CA SER A 72 6.849 2.397 -4.696 1.00 0.00 C ATOM 874 C SER A 72 7.428 3.774 -4.371 1.00 0.00 C ATOM 875 O SER A 72 7.666 4.098 -3.210 1.00 0.00 O ATOM 876 CB SER A 72 7.982 1.373 -4.817 1.00 0.00 C ATOM 877 OG SER A 72 8.981 1.590 -3.836 1.00 0.00 O ATOM 0 H SER A 72 6.290 1.659 -6.571 1.00 0.00 H new ATOM 0 HA SER A 72 6.182 2.114 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.578 0.366 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.426 1.435 -5.811 1.00 0.00 H new ATOM 0 HG SER A 72 9.866 1.450 -4.234 1.00 0.00 H new ATOM 883 N SER A 73 7.647 4.586 -5.397 1.00 0.00 N ATOM 884 CA SER A 73 8.187 5.925 -5.198 1.00 0.00 C ATOM 885 C SER A 73 7.274 6.736 -4.280 1.00 0.00 C ATOM 886 O SER A 73 7.731 7.623 -3.558 1.00 0.00 O ATOM 887 CB SER A 73 8.351 6.640 -6.540 1.00 0.00 C ATOM 888 OG SER A 73 9.308 7.680 -6.451 1.00 0.00 O ATOM 0 H SER A 73 7.460 4.343 -6.370 1.00 0.00 H new ATOM 0 HA SER A 73 9.166 5.834 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.658 5.924 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.392 7.050 -6.856 1.00 0.00 H new ATOM 0 HG SER A 73 9.395 8.120 -7.322 1.00 0.00 H new ATOM 894 N THR A 74 5.980 6.431 -4.325 1.00 0.00 N ATOM 895 CA THR A 74 4.991 7.125 -3.520 1.00 0.00 C ATOM 896 C THR A 74 4.475 6.244 -2.386 1.00 0.00 C ATOM 897 O THR A 74 3.558 6.638 -1.677 1.00 0.00 O ATOM 898 CB THR A 74 3.821 7.550 -4.406 1.00 0.00 C ATOM 899 OG1 THR A 74 2.778 6.590 -4.399 1.00 0.00 O ATOM 900 CG2 THR A 74 4.226 7.768 -5.841 1.00 0.00 C ATOM 0 H THR A 74 5.593 5.698 -4.920 1.00 0.00 H new ATOM 0 HA THR A 74 5.467 8.001 -3.079 1.00 0.00 H new ATOM 0 HB THR A 74 3.474 8.491 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.918 7.040 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.355 8.068 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.983 8.551 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.634 6.843 -6.249 1.00 0.00 H new ATOM 908 N LEU A 75 5.047 5.054 -2.232 1.00 0.00 N ATOM 909 CA LEU A 75 4.635 4.130 -1.202 1.00 0.00 C ATOM 910 C LEU A 75 5.848 3.505 -0.535 1.00 0.00 C ATOM 911 O LEU A 75 6.770 3.046 -1.199 1.00 0.00 O ATOM 912 CB LEU A 75 3.775 3.030 -1.804 1.00 0.00 C ATOM 913 CG LEU A 75 2.529 3.511 -2.561 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.685 3.294 -4.064 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.275 2.806 -2.046 1.00 0.00 C ATOM 0 H LEU A 75 5.807 4.711 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 75 4.059 4.680 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.390 2.443 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.458 2.361 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 75 2.420 4.581 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.789 3.643 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.550 3.851 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.828 2.232 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.405 3.163 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.378 1.730 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.146 3.021 -0.985 1.00 0.00 H new ATOM 927 N CYS A 76 5.834 3.481 0.780 1.00 0.00 N ATOM 928 CA CYS A 76 6.932 2.898 1.550 1.00 0.00 C ATOM 929 C CYS A 76 7.157 1.442 1.151 1.00 0.00 C ATOM 930 O CYS A 76 6.218 0.647 1.120 1.00 0.00 O ATOM 931 CB CYS A 76 6.647 2.986 3.049 1.00 0.00 C ATOM 932 SG CYS A 76 8.127 2.925 4.087 1.00 0.00 S ATOM 0 H CYS A 76 5.075 3.858 1.348 1.00 0.00 H new ATOM 0 HA CYS A 76 7.835 3.467 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.112 3.913 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.985 2.167 3.331 1.00 0.00 H new ATOM 0 HG CYS A 76 7.783 3.008 5.338 1.00 0.00 H new ATOM 938 N ILE A 77 8.402 1.101 0.840 1.00 0.00 N ATOM 939 CA ILE A 77 8.738 -0.256 0.436 1.00 0.00 C ATOM 940 C ILE A 77 10.005 -0.748 1.135 1.00 0.00 C ATOM 941 O ILE A 77 10.706 0.027 1.787 1.00 0.00 O ATOM 942 CB ILE A 77 8.902 -0.358 -1.101 1.00 0.00 C ATOM 943 CG1 ILE A 77 10.175 0.359 -1.581 1.00 0.00 C ATOM 944 CG2 ILE A 77 7.674 0.216 -1.797 1.00 0.00 C ATOM 945 CD1 ILE A 77 10.153 1.857 -1.368 1.00 0.00 C ATOM 0 H ILE A 77 9.193 1.745 0.860 1.00 0.00 H new ATOM 0 HA ILE A 77 7.910 -0.897 0.739 1.00 0.00 H new ATOM 0 HB ILE A 77 8.999 -1.412 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.035 -0.060 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.317 0.155 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.799 0.140 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.789 -0.344 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.554 1.263 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.085 2.290 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.314 2.290 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.044 2.072 -0.305 1.00 0.00 H new ATOM 957 N SER A 78 10.291 -2.038 0.996 1.00 0.00 N ATOM 958 CA SER A 78 11.471 -2.631 1.615 1.00 0.00 C ATOM 959 C SER A 78 11.413 -2.496 3.133 1.00 0.00 C ATOM 960 O SER A 78 10.411 -2.044 3.688 1.00 0.00 O ATOM 961 CB SER A 78 12.743 -1.968 1.080 1.00 0.00 C ATOM 962 OG SER A 78 12.693 -1.831 -0.329 1.00 0.00 O ATOM 0 H SER A 78 9.722 -2.693 0.460 1.00 0.00 H new ATOM 0 HA SER A 78 11.490 -3.691 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.867 -0.987 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.612 -2.563 1.360 1.00 0.00 H new ATOM 0 HG SER A 78 13.516 -1.403 -0.646 1.00 0.00 H new ATOM 968 N HIS A 79 12.493 -2.891 3.800 1.00 0.00 N ATOM 969 CA HIS A 79 12.562 -2.814 5.255 1.00 0.00 C ATOM 970 C HIS A 79 14.009 -2.710 5.727 1.00 0.00 C ATOM 971 O HIS A 79 14.376 -3.269 6.760 1.00 0.00 O ATOM 972 CB HIS A 79 11.893 -4.037 5.883 1.00 0.00 C ATOM 973 CG HIS A 79 11.269 -3.760 7.215 1.00 0.00 C ATOM 974 ND1 HIS A 79 10.240 -4.515 7.738 1.00 0.00 N ATOM 975 CD2 HIS A 79 11.534 -2.803 8.137 1.00 0.00 C ATOM 976 CE1 HIS A 79 9.898 -4.035 8.920 1.00 0.00 C ATOM 977 NE2 HIS A 79 10.669 -2.996 9.186 1.00 0.00 N ATOM 0 H HIS A 79 13.331 -3.267 3.357 1.00 0.00 H new ATOM 0 HA HIS A 79 12.031 -1.916 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.128 -4.411 5.203 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.634 -4.828 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.286 -2.032 8.061 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.121 -4.425 9.560 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.628 -2.429 10.033 1.00 0.00 H new ATOM 986 N SER A 80 14.824 -1.990 4.965 1.00 0.00 N ATOM 987 CA SER A 80 16.231 -1.813 5.307 1.00 0.00 C ATOM 988 C SER A 80 16.382 -0.936 6.546 1.00 0.00 C ATOM 989 O SER A 80 15.567 -0.047 6.792 1.00 0.00 O ATOM 990 CB SER A 80 16.989 -1.191 4.132 1.00 0.00 C ATOM 991 OG SER A 80 16.564 -1.747 2.899 1.00 0.00 O ATOM 0 H SER A 80 14.536 -1.520 4.107 1.00 0.00 H new ATOM 0 HA SER A 80 16.653 -2.794 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.830 -0.113 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.059 -1.354 4.258 1.00 0.00 H new ATOM 0 HG SER A 80 17.062 -1.332 2.164 1.00 0.00 H new TER 997 SER A 80