USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot 180:sc= 0.668 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.751 X(o=1.4,f=1.3) USER MOD Single : A 10 ASN : amide:sc= 0.928 K(o=0.93,f=-3.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00509 USER MOD Single : A 24 MET CE :methyl -137:sc= 0 (180deg=-0.0459) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0.781 (180deg=0.771) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -22:sc= 1.09 USER MOD Single : A 66 ASN : amide:sc= 0.242 K(o=0.24,f=-4.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.768 K(o=0.77,f=-0.069) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 159:sc= 0.00238 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -15:sc= 0.256 USER MOD Single : A 78 THR OG1 : rot 121:sc= 1.29 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 2.74 (180deg=2.72) USER MOD Single : A 91 TYR OH : rot 163:sc= 1.25 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 66:sc= 1.32 USER MOD Single : A 103 HIS : no HE2:sc= 0.481 K(o=0.48,f=-2.2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -3.172 1.147 11.642 1.00 0.00 N ATOM 15 CA ASP A 2 -2.745 -0.247 11.408 1.00 0.00 C ATOM 16 C ASP A 2 -1.922 -0.405 10.109 1.00 0.00 C ATOM 17 O ASP A 2 -1.670 -1.523 9.650 1.00 0.00 O ATOM 18 CB ASP A 2 -3.982 -1.155 11.439 1.00 0.00 C ATOM 19 CG ASP A 2 -4.550 -1.295 12.862 1.00 0.00 C ATOM 20 OD1 ASP A 2 -4.053 -2.161 13.624 1.00 0.00 O ATOM 21 OD2 ASP A 2 -5.482 -0.539 13.233 1.00 0.00 O ATOM 0 HA ASP A 2 -2.066 -0.549 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.749 -0.748 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.720 -2.140 11.053 1.00 0.00 H new ATOM 26 N VAL A 3 -1.467 0.715 9.533 1.00 0.00 N ATOM 27 CA VAL A 3 -0.690 0.803 8.280 1.00 0.00 C ATOM 28 C VAL A 3 0.740 1.246 8.609 1.00 0.00 C ATOM 29 O VAL A 3 0.925 2.198 9.376 1.00 0.00 O ATOM 30 CB VAL A 3 -1.330 1.818 7.299 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.636 1.795 5.935 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.827 1.568 7.069 1.00 0.00 C ATOM 0 H VAL A 3 -1.637 1.633 9.945 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.683 -0.177 7.803 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.203 2.790 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.111 2.519 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.416 2.051 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.718 0.798 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.217 2.311 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.970 0.571 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.359 1.645 8.017 1.00 0.00 H new ATOM 42 N LEU A 4 1.757 0.585 8.040 1.00 0.00 N ATOM 43 CA LEU A 4 3.173 0.902 8.282 1.00 0.00 C ATOM 44 C LEU A 4 3.560 2.252 7.643 1.00 0.00 C ATOM 45 O LEU A 4 3.573 2.397 6.422 1.00 0.00 O ATOM 46 CB LEU A 4 4.067 -0.240 7.764 1.00 0.00 C ATOM 47 CG LEU A 4 4.185 -1.529 8.605 1.00 0.00 C ATOM 48 CD1 LEU A 4 4.789 -1.258 9.982 1.00 0.00 C ATOM 49 CD2 LEU A 4 2.866 -2.284 8.795 1.00 0.00 C ATOM 0 H LEU A 4 1.620 -0.192 7.393 1.00 0.00 H new ATOM 0 HA LEU A 4 3.327 0.998 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.703 -0.522 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.072 0.161 7.631 1.00 0.00 H new ATOM 0 HG LEU A 4 4.848 -2.164 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.854 -2.192 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.787 -0.835 9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.158 -0.554 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.041 -3.176 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.147 -1.639 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.470 -2.575 7.822 1.00 0.00 H new ATOM 61 N GLU A 5 3.902 3.250 8.458 1.00 0.00 N ATOM 62 CA GLU A 5 4.286 4.609 8.033 1.00 0.00 C ATOM 63 C GLU A 5 5.768 4.711 7.593 1.00 0.00 C ATOM 64 O GLU A 5 6.574 5.476 8.137 1.00 0.00 O ATOM 65 CB GLU A 5 3.884 5.637 9.115 1.00 0.00 C ATOM 66 CG GLU A 5 4.423 5.349 10.525 1.00 0.00 C ATOM 67 CD GLU A 5 4.041 6.480 11.507 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.913 6.451 12.060 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.868 7.395 11.740 1.00 0.00 O ATOM 0 H GLU A 5 3.922 3.137 9.471 1.00 0.00 H new ATOM 0 HA GLU A 5 3.727 4.853 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.233 6.622 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.796 5.684 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.023 4.401 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.507 5.245 10.489 1.00 0.00 H new ATOM 76 N LEU A 6 6.148 3.871 6.626 1.00 0.00 N ATOM 77 CA LEU A 6 7.523 3.709 6.134 1.00 0.00 C ATOM 78 C LEU A 6 8.116 4.978 5.477 1.00 0.00 C ATOM 79 O LEU A 6 7.410 5.887 5.042 1.00 0.00 O ATOM 80 CB LEU A 6 7.579 2.516 5.150 1.00 0.00 C ATOM 81 CG LEU A 6 7.086 1.168 5.701 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.305 0.055 4.669 1.00 0.00 C ATOM 83 CD2 LEU A 6 7.779 0.771 7.005 1.00 0.00 C ATOM 0 H LEU A 6 5.485 3.263 6.146 1.00 0.00 H new ATOM 0 HA LEU A 6 8.145 3.517 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.985 2.767 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.609 2.395 4.814 1.00 0.00 H new ATOM 0 HG LEU A 6 6.023 1.294 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.951 -0.892 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.753 0.289 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.367 -0.024 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.390 -0.189 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.853 0.688 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.589 1.530 7.764 1.00 0.00 H new ATOM 95 N THR A 7 9.452 5.000 5.382 1.00 0.00 N ATOM 96 CA THR A 7 10.267 6.071 4.777 1.00 0.00 C ATOM 97 C THR A 7 11.589 5.484 4.269 1.00 0.00 C ATOM 98 O THR A 7 12.025 4.429 4.733 1.00 0.00 O ATOM 99 CB THR A 7 10.497 7.203 5.801 1.00 0.00 C ATOM 100 OG1 THR A 7 11.282 8.237 5.251 1.00 0.00 O ATOM 101 CG2 THR A 7 11.175 6.768 7.105 1.00 0.00 C ATOM 0 H THR A 7 10.025 4.236 5.741 1.00 0.00 H new ATOM 0 HA THR A 7 9.740 6.502 3.925 1.00 0.00 H new ATOM 0 HB THR A 7 9.489 7.540 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.411 8.941 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.293 7.632 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.560 6.018 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.155 6.345 6.882 1.00 0.00 H new ATOM 109 N ASP A 8 12.243 6.158 3.326 1.00 0.00 N ATOM 110 CA ASP A 8 13.483 5.724 2.660 1.00 0.00 C ATOM 111 C ASP A 8 14.637 5.375 3.626 1.00 0.00 C ATOM 112 O ASP A 8 15.497 4.556 3.296 1.00 0.00 O ATOM 113 CB ASP A 8 13.907 6.844 1.711 1.00 0.00 C ATOM 114 CG ASP A 8 15.131 6.474 0.855 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.022 5.556 0.006 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.200 7.111 1.018 1.00 0.00 O ATOM 0 H ASP A 8 11.914 7.062 2.986 1.00 0.00 H new ATOM 0 HA ASP A 8 13.271 4.795 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.073 7.092 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.133 7.739 2.291 1.00 0.00 H new ATOM 121 N ASP A 9 14.636 5.932 4.843 1.00 0.00 N ATOM 122 CA ASP A 9 15.590 5.610 5.920 1.00 0.00 C ATOM 123 C ASP A 9 15.568 4.130 6.369 1.00 0.00 C ATOM 124 O ASP A 9 16.568 3.634 6.896 1.00 0.00 O ATOM 125 CB ASP A 9 15.294 6.524 7.114 1.00 0.00 C ATOM 126 CG ASP A 9 16.391 6.449 8.191 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.548 6.863 7.919 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.093 6.007 9.327 1.00 0.00 O ATOM 0 H ASP A 9 13.954 6.639 5.117 1.00 0.00 H new ATOM 0 HA ASP A 9 16.591 5.776 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.198 7.553 6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.336 6.246 7.554 1.00 0.00 H new ATOM 133 N ASN A 10 14.450 3.416 6.150 1.00 0.00 N ATOM 134 CA ASN A 10 14.292 2.000 6.519 1.00 0.00 C ATOM 135 C ASN A 10 13.561 1.111 5.485 1.00 0.00 C ATOM 136 O ASN A 10 13.722 -0.110 5.524 1.00 0.00 O ATOM 137 CB ASN A 10 13.650 1.911 7.917 1.00 0.00 C ATOM 138 CG ASN A 10 12.145 2.106 7.939 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.384 1.156 7.869 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.646 3.317 8.059 1.00 0.00 N ATOM 0 H ASN A 10 13.621 3.812 5.706 1.00 0.00 H new ATOM 0 HA ASN A 10 15.296 1.576 6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.882 0.937 8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.109 2.661 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.635 3.451 8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.270 4.122 8.119 1.00 0.00 H new ATOM 147 N PHE A 11 12.802 1.685 4.542 1.00 0.00 N ATOM 148 CA PHE A 11 12.041 0.958 3.507 1.00 0.00 C ATOM 149 C PHE A 11 12.890 -0.063 2.727 1.00 0.00 C ATOM 150 O PHE A 11 12.427 -1.162 2.443 1.00 0.00 O ATOM 151 CB PHE A 11 11.394 1.986 2.561 1.00 0.00 C ATOM 152 CG PHE A 11 10.540 1.386 1.456 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.116 1.022 0.221 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.155 1.197 1.658 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.320 0.463 -0.793 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.360 0.632 0.643 1.00 0.00 C ATOM 157 CZ PHE A 11 8.943 0.259 -0.581 1.00 0.00 C ATOM 0 H PHE A 11 12.695 2.697 4.473 1.00 0.00 H new ATOM 0 HA PHE A 11 11.273 0.367 4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.777 2.663 3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.182 2.587 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.172 1.173 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.704 1.487 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.766 0.189 -1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.302 0.485 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.336 -0.183 -1.357 1.00 0.00 H new ATOM 167 N GLU A 12 14.160 0.261 2.450 1.00 0.00 N ATOM 168 CA GLU A 12 15.121 -0.565 1.696 1.00 0.00 C ATOM 169 C GLU A 12 15.498 -1.924 2.323 1.00 0.00 C ATOM 170 O GLU A 12 16.318 -2.673 1.777 1.00 0.00 O ATOM 171 CB GLU A 12 16.397 0.257 1.453 1.00 0.00 C ATOM 172 CG GLU A 12 16.162 1.503 0.582 1.00 0.00 C ATOM 173 CD GLU A 12 17.511 2.105 0.132 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.280 2.621 0.980 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.824 2.066 -1.083 1.00 0.00 O ATOM 0 H GLU A 12 14.567 1.144 2.758 1.00 0.00 H new ATOM 0 HA GLU A 12 14.606 -0.826 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.810 0.566 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.143 -0.377 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.565 1.238 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.594 2.245 1.143 1.00 0.00 H new ATOM 182 N SER A 13 14.939 -2.269 3.480 1.00 0.00 N ATOM 183 CA SER A 13 15.027 -3.618 4.078 1.00 0.00 C ATOM 184 C SER A 13 13.689 -4.154 4.622 1.00 0.00 C ATOM 185 O SER A 13 13.640 -5.272 5.141 1.00 0.00 O ATOM 186 CB SER A 13 16.144 -3.640 5.130 1.00 0.00 C ATOM 187 OG SER A 13 17.352 -3.338 4.452 1.00 0.00 O ATOM 0 H SER A 13 14.400 -1.614 4.046 1.00 0.00 H new ATOM 0 HA SER A 13 15.280 -4.313 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.949 -2.910 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.204 -4.617 5.610 1.00 0.00 H new ATOM 0 HG SER A 13 18.095 -3.340 5.091 1.00 0.00 H new ATOM 193 N ARG A 14 12.588 -3.404 4.452 1.00 0.00 N ATOM 194 CA ARG A 14 11.212 -3.876 4.709 1.00 0.00 C ATOM 195 C ARG A 14 10.708 -4.780 3.583 1.00 0.00 C ATOM 196 O ARG A 14 9.945 -5.706 3.843 1.00 0.00 O ATOM 197 CB ARG A 14 10.264 -2.680 4.828 1.00 0.00 C ATOM 198 CG ARG A 14 10.571 -1.764 6.023 1.00 0.00 C ATOM 199 CD ARG A 14 10.276 -2.429 7.372 1.00 0.00 C ATOM 200 NE ARG A 14 10.483 -1.470 8.469 1.00 0.00 N ATOM 201 CZ ARG A 14 10.361 -1.688 9.765 1.00 0.00 C ATOM 202 NH1 ARG A 14 10.027 -2.850 10.254 1.00 0.00 N ATOM 203 NH2 ARG A 14 10.571 -0.714 10.602 1.00 0.00 N ATOM 0 H ARG A 14 12.626 -2.438 4.127 1.00 0.00 H new ATOM 0 HA ARG A 14 11.231 -4.445 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.315 -2.094 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.241 -3.046 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.620 -1.470 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.981 -0.851 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.249 -2.795 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.925 -3.294 7.509 1.00 0.00 H new ATOM 0 HE ARG A 14 10.753 -0.525 8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.849 -3.635 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.944 -2.974 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.828 0.210 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.479 -0.875 11.605 1.00 0.00 H new ATOM 217 N ILE A 15 11.172 -4.541 2.348 1.00 0.00 N ATOM 218 CA ILE A 15 10.819 -5.335 1.154 1.00 0.00 C ATOM 219 C ILE A 15 11.128 -6.833 1.301 1.00 0.00 C ATOM 220 O ILE A 15 10.508 -7.676 0.653 1.00 0.00 O ATOM 221 CB ILE A 15 11.438 -4.762 -0.147 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.891 -5.193 -0.454 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.310 -3.227 -0.195 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.934 -4.756 0.578 1.00 0.00 C ATOM 0 H ILE A 15 11.816 -3.777 2.143 1.00 0.00 H new ATOM 0 HA ILE A 15 9.736 -5.248 1.070 1.00 0.00 H new ATOM 0 HB ILE A 15 10.843 -5.215 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.920 -6.279 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.175 -4.790 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.753 -2.854 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.257 -2.948 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.830 -2.792 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.919 -5.107 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.942 -3.668 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.684 -5.181 1.550 1.00 0.00 H new ATOM 236 N SER A 16 12.058 -7.163 2.196 1.00 0.00 N ATOM 237 CA SER A 16 12.517 -8.530 2.494 1.00 0.00 C ATOM 238 C SER A 16 11.472 -9.365 3.240 1.00 0.00 C ATOM 239 O SER A 16 11.512 -10.596 3.198 1.00 0.00 O ATOM 240 CB SER A 16 13.802 -8.493 3.338 1.00 0.00 C ATOM 241 OG SER A 16 14.806 -7.724 2.701 1.00 0.00 O ATOM 0 H SER A 16 12.536 -6.460 2.760 1.00 0.00 H new ATOM 0 HA SER A 16 12.700 -9.002 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.585 -8.072 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.164 -9.508 3.500 1.00 0.00 H new ATOM 0 HG SER A 16 15.613 -7.714 3.257 1.00 0.00 H new ATOM 247 N ASP A 17 10.511 -8.705 3.904 1.00 0.00 N ATOM 248 CA ASP A 17 9.454 -9.365 4.678 1.00 0.00 C ATOM 249 C ASP A 17 8.360 -10.017 3.800 1.00 0.00 C ATOM 250 O ASP A 17 7.516 -10.772 4.285 1.00 0.00 O ATOM 251 CB ASP A 17 8.850 -8.341 5.651 1.00 0.00 C ATOM 252 CG ASP A 17 7.963 -8.993 6.719 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.476 -9.836 7.494 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.772 -8.615 6.834 1.00 0.00 O ATOM 0 H ASP A 17 10.447 -7.687 3.917 1.00 0.00 H new ATOM 0 HA ASP A 17 9.906 -10.191 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.655 -7.791 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.262 -7.615 5.090 1.00 0.00 H new ATOM 259 N THR A 18 8.391 -9.739 2.491 1.00 0.00 N ATOM 260 CA THR A 18 7.430 -10.245 1.487 1.00 0.00 C ATOM 261 C THR A 18 7.426 -11.761 1.279 1.00 0.00 C ATOM 262 O THR A 18 6.450 -12.295 0.766 1.00 0.00 O ATOM 263 CB THR A 18 7.674 -9.619 0.104 1.00 0.00 C ATOM 264 OG1 THR A 18 9.022 -9.734 -0.286 1.00 0.00 O ATOM 265 CG2 THR A 18 7.267 -8.150 0.081 1.00 0.00 C ATOM 0 H THR A 18 9.106 -9.137 2.082 1.00 0.00 H new ATOM 0 HA THR A 18 6.469 -9.957 1.912 1.00 0.00 H new ATOM 0 HB THR A 18 7.055 -10.172 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.543 -9.010 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.452 -7.737 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.207 -8.062 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.851 -7.599 0.818 1.00 0.00 H new ATOM 273 N GLY A 19 8.500 -12.461 1.651 1.00 0.00 N ATOM 274 CA GLY A 19 8.718 -13.892 1.381 1.00 0.00 C ATOM 275 C GLY A 19 7.557 -14.831 1.726 1.00 0.00 C ATOM 276 O GLY A 19 7.285 -15.774 0.978 1.00 0.00 O ATOM 0 H GLY A 19 9.271 -12.036 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.950 -14.009 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.597 -14.216 1.938 1.00 0.00 H new ATOM 280 N SER A 20 6.840 -14.576 2.826 1.00 0.00 N ATOM 281 CA SER A 20 5.659 -15.352 3.248 1.00 0.00 C ATOM 282 C SER A 20 4.351 -14.903 2.564 1.00 0.00 C ATOM 283 O SER A 20 3.521 -15.737 2.196 1.00 0.00 O ATOM 284 CB SER A 20 5.494 -15.243 4.769 1.00 0.00 C ATOM 285 OG SER A 20 5.454 -13.890 5.184 1.00 0.00 O ATOM 0 H SER A 20 7.065 -13.811 3.462 1.00 0.00 H new ATOM 0 HA SER A 20 5.838 -16.383 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.577 -15.747 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.320 -15.754 5.265 1.00 0.00 H new ATOM 0 HG SER A 20 5.347 -13.849 6.157 1.00 0.00 H new ATOM 291 N ALA A 21 4.170 -13.592 2.387 1.00 0.00 N ATOM 292 CA ALA A 21 2.979 -12.964 1.806 1.00 0.00 C ATOM 293 C ALA A 21 2.888 -13.089 0.266 1.00 0.00 C ATOM 294 O ALA A 21 1.798 -13.081 -0.307 1.00 0.00 O ATOM 295 CB ALA A 21 3.023 -11.487 2.215 1.00 0.00 C ATOM 0 H ALA A 21 4.879 -12.910 2.656 1.00 0.00 H new ATOM 0 HA ALA A 21 2.094 -13.478 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.155 -10.970 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.013 -11.410 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.933 -11.029 1.827 1.00 0.00 H new ATOM 301 N GLY A 22 4.032 -13.166 -0.418 1.00 0.00 N ATOM 302 CA GLY A 22 4.172 -13.138 -1.878 1.00 0.00 C ATOM 303 C GLY A 22 4.346 -11.726 -2.462 1.00 0.00 C ATOM 304 O GLY A 22 4.961 -11.569 -3.519 1.00 0.00 O ATOM 0 H GLY A 22 4.932 -13.254 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.031 -13.746 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.292 -13.600 -2.326 1.00 0.00 H new ATOM 308 N LEU A 23 3.862 -10.686 -1.773 1.00 0.00 N ATOM 309 CA LEU A 23 3.992 -9.272 -2.164 1.00 0.00 C ATOM 310 C LEU A 23 3.824 -8.307 -0.974 1.00 0.00 C ATOM 311 O LEU A 23 3.524 -8.712 0.147 1.00 0.00 O ATOM 312 CB LEU A 23 2.953 -8.943 -3.271 1.00 0.00 C ATOM 313 CG LEU A 23 1.478 -8.893 -2.796 1.00 0.00 C ATOM 314 CD1 LEU A 23 0.760 -7.692 -3.413 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.721 -10.164 -3.172 1.00 0.00 C ATOM 0 H LEU A 23 3.352 -10.807 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 23 5.004 -9.129 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.209 -7.980 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.039 -9.689 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 23 1.494 -8.803 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.274 -7.671 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.262 -6.773 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.780 -7.775 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.309 -10.091 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.729 -10.285 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.202 -11.025 -2.707 1.00 0.00 H new ATOM 327 N MET A 24 3.963 -7.014 -1.269 1.00 0.00 N ATOM 328 CA MET A 24 3.623 -5.877 -0.406 1.00 0.00 C ATOM 329 C MET A 24 2.841 -4.866 -1.255 1.00 0.00 C ATOM 330 O MET A 24 3.093 -4.750 -2.454 1.00 0.00 O ATOM 331 CB MET A 24 4.912 -5.275 0.180 1.00 0.00 C ATOM 332 CG MET A 24 4.672 -4.086 1.123 1.00 0.00 C ATOM 333 SD MET A 24 6.165 -3.336 1.834 1.00 0.00 S ATOM 334 CE MET A 24 6.716 -4.654 2.953 1.00 0.00 C ATOM 0 H MET A 24 4.338 -6.712 -2.169 1.00 0.00 H new ATOM 0 HA MET A 24 3.003 -6.182 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.451 -6.053 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.555 -4.953 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.125 -3.317 0.577 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.029 -4.416 1.939 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.027 -4.219 3.903 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.897 -5.352 3.124 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.556 -5.184 2.505 1.00 0.00 H new ATOM 344 N LEU A 25 1.893 -4.149 -0.652 1.00 0.00 N ATOM 345 CA LEU A 25 1.018 -3.179 -1.318 1.00 0.00 C ATOM 346 C LEU A 25 1.065 -1.872 -0.516 1.00 0.00 C ATOM 347 O LEU A 25 0.800 -1.869 0.683 1.00 0.00 O ATOM 348 CB LEU A 25 -0.382 -3.801 -1.466 1.00 0.00 C ATOM 349 CG LEU A 25 -1.524 -2.873 -1.924 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.219 -2.111 -3.215 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.785 -3.703 -2.149 1.00 0.00 C ATOM 0 H LEU A 25 1.705 -4.229 0.347 1.00 0.00 H new ATOM 0 HA LEU A 25 1.342 -2.934 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.312 -4.625 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.663 -4.232 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.654 -2.135 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.069 -1.479 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.335 -1.490 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.036 -2.821 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.596 -3.051 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.594 -4.454 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.066 -4.197 -1.219 1.00 0.00 H new ATOM 363 N VAL A 26 1.451 -0.771 -1.161 1.00 0.00 N ATOM 364 CA VAL A 26 1.777 0.490 -0.470 1.00 0.00 C ATOM 365 C VAL A 26 1.082 1.675 -1.140 1.00 0.00 C ATOM 366 O VAL A 26 0.986 1.735 -2.367 1.00 0.00 O ATOM 367 CB VAL A 26 3.308 0.699 -0.439 1.00 0.00 C ATOM 368 CG1 VAL A 26 3.758 1.953 0.318 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.046 -0.536 0.094 1.00 0.00 C ATOM 0 H VAL A 26 1.548 -0.722 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 26 1.413 0.426 0.555 1.00 0.00 H new ATOM 0 HB VAL A 26 3.582 0.854 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.845 2.024 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.325 2.836 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.424 1.892 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.119 -0.345 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.711 -0.750 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.833 -1.392 -0.546 1.00 0.00 H new ATOM 379 N GLU A 27 0.625 2.639 -0.342 1.00 0.00 N ATOM 380 CA GLU A 27 -0.024 3.877 -0.801 1.00 0.00 C ATOM 381 C GLU A 27 0.920 5.086 -0.708 1.00 0.00 C ATOM 382 O GLU A 27 1.572 5.330 0.309 1.00 0.00 O ATOM 383 CB GLU A 27 -1.301 4.121 0.020 1.00 0.00 C ATOM 384 CG GLU A 27 -2.089 5.336 -0.481 1.00 0.00 C ATOM 385 CD GLU A 27 -3.402 5.488 0.306 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.394 4.810 -0.046 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.449 6.309 1.254 1.00 0.00 O ATOM 0 H GLU A 27 0.696 2.583 0.674 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.285 3.756 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.935 3.235 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.035 4.269 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.486 6.238 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.306 5.224 -1.543 1.00 0.00 H new ATOM 394 N PHE A 28 0.945 5.888 -1.767 1.00 0.00 N ATOM 395 CA PHE A 28 1.783 7.079 -1.897 1.00 0.00 C ATOM 396 C PHE A 28 0.891 8.318 -2.031 1.00 0.00 C ATOM 397 O PHE A 28 -0.022 8.361 -2.863 1.00 0.00 O ATOM 398 CB PHE A 28 2.757 6.905 -3.071 1.00 0.00 C ATOM 399 CG PHE A 28 3.679 5.704 -2.945 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.211 4.417 -3.278 1.00 0.00 C ATOM 401 CD2 PHE A 28 4.987 5.860 -2.444 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.025 3.293 -3.062 1.00 0.00 C ATOM 403 CE2 PHE A 28 5.807 4.736 -2.244 1.00 0.00 C ATOM 404 CZ PHE A 28 5.319 3.448 -2.539 1.00 0.00 C ATOM 0 H PHE A 28 0.363 5.723 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 28 2.392 7.219 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.183 6.813 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.363 7.806 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.224 4.295 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.361 6.847 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.655 2.307 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.810 4.860 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.939 2.581 -2.363 1.00 0.00 H new ATOM 414 N PHE A 29 1.141 9.305 -1.166 1.00 0.00 N ATOM 415 CA PHE A 29 0.287 10.481 -0.957 1.00 0.00 C ATOM 416 C PHE A 29 1.082 11.700 -0.463 1.00 0.00 C ATOM 417 O PHE A 29 2.305 11.640 -0.385 1.00 0.00 O ATOM 418 CB PHE A 29 -0.854 10.097 0.008 1.00 0.00 C ATOM 419 CG PHE A 29 -0.457 9.992 1.475 1.00 0.00 C ATOM 420 CD1 PHE A 29 0.335 8.917 1.936 1.00 0.00 C ATOM 421 CD2 PHE A 29 -0.868 10.988 2.385 1.00 0.00 C ATOM 422 CE1 PHE A 29 0.729 8.860 3.286 1.00 0.00 C ATOM 423 CE2 PHE A 29 -0.488 10.920 3.740 1.00 0.00 C ATOM 424 CZ PHE A 29 0.314 9.854 4.186 1.00 0.00 C ATOM 0 H PHE A 29 1.970 9.309 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.140 10.786 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.650 10.836 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.269 9.140 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.638 8.138 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.479 11.809 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.353 8.049 3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.811 11.683 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.611 9.800 5.223 1.00 0.00 H new ATOM 434 N ALA A 30 0.416 12.805 -0.125 1.00 0.00 N ATOM 435 CA ALA A 30 1.025 13.984 0.503 1.00 0.00 C ATOM 436 C ALA A 30 0.040 14.617 1.521 1.00 0.00 C ATOM 437 O ALA A 30 -1.173 14.420 1.391 1.00 0.00 O ATOM 438 CB ALA A 30 1.397 14.962 -0.617 1.00 0.00 C ATOM 0 H ALA A 30 -0.586 12.910 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 30 1.922 13.714 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.854 15.853 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.103 14.485 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.499 15.245 -1.166 1.00 0.00 H new ATOM 444 N PRO A 31 0.511 15.388 2.525 1.00 0.00 N ATOM 445 CA PRO A 31 -0.313 15.891 3.637 1.00 0.00 C ATOM 446 C PRO A 31 -1.220 17.099 3.271 1.00 0.00 C ATOM 447 O PRO A 31 -1.512 17.948 4.116 1.00 0.00 O ATOM 448 CB PRO A 31 0.706 16.206 4.747 1.00 0.00 C ATOM 449 CG PRO A 31 1.940 16.660 3.962 1.00 0.00 C ATOM 450 CD PRO A 31 1.911 15.736 2.749 1.00 0.00 C ATOM 0 HA PRO A 31 -1.050 15.151 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.345 16.986 5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.918 15.331 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.876 17.710 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.856 16.543 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.332 16.231 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.509 14.842 2.928 1.00 0.00 H new ATOM 550 N ARG A 38 -9.790 10.893 4.479 1.00 0.00 N ATOM 551 CA ARG A 38 -11.008 10.324 3.853 1.00 0.00 C ATOM 552 C ARG A 38 -10.842 8.845 3.490 1.00 0.00 C ATOM 553 O ARG A 38 -11.791 8.075 3.638 1.00 0.00 O ATOM 554 CB ARG A 38 -11.384 11.134 2.599 1.00 0.00 C ATOM 555 CG ARG A 38 -11.393 12.656 2.817 1.00 0.00 C ATOM 556 CD ARG A 38 -11.833 13.400 1.548 1.00 0.00 C ATOM 557 NE ARG A 38 -11.357 14.799 1.569 1.00 0.00 N ATOM 558 CZ ARG A 38 -11.893 15.836 2.187 1.00 0.00 C ATOM 559 NH1 ARG A 38 -13.035 15.768 2.813 1.00 0.00 N ATOM 560 NH2 ARG A 38 -11.265 16.976 2.185 1.00 0.00 N ATOM 0 HA ARG A 38 -11.809 10.389 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.681 10.896 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.371 10.820 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.066 12.904 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.397 12.989 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.441 12.891 0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.920 13.382 1.469 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.506 14.988 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.551 14.889 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.412 16.594 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.367 17.063 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.671 17.783 2.659 1.00 0.00 H new ATOM 574 N LEU A 39 -9.643 8.439 3.060 1.00 0.00 N ATOM 575 CA LEU A 39 -9.304 7.068 2.665 1.00 0.00 C ATOM 576 C LEU A 39 -8.479 6.311 3.722 1.00 0.00 C ATOM 577 O LEU A 39 -8.571 5.089 3.809 1.00 0.00 O ATOM 578 CB LEU A 39 -8.566 7.146 1.319 1.00 0.00 C ATOM 579 CG LEU A 39 -8.162 5.787 0.714 1.00 0.00 C ATOM 580 CD1 LEU A 39 -9.344 4.853 0.471 1.00 0.00 C ATOM 581 CD2 LEU A 39 -7.481 6.041 -0.627 1.00 0.00 C ATOM 0 H LEU A 39 -8.853 9.079 2.974 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.223 6.489 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.201 7.670 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.668 7.749 1.449 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.504 5.301 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.986 3.916 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.849 4.652 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.043 5.323 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.187 5.090 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.172 6.556 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.596 6.659 -0.474 1.00 0.00 H new ATOM 593 N ALA A 40 -7.743 7.018 4.587 1.00 0.00 N ATOM 594 CA ALA A 40 -7.018 6.417 5.711 1.00 0.00 C ATOM 595 C ALA A 40 -7.851 5.482 6.633 1.00 0.00 C ATOM 596 O ALA A 40 -7.335 4.412 6.977 1.00 0.00 O ATOM 597 CB ALA A 40 -6.330 7.530 6.511 1.00 0.00 C ATOM 0 H ALA A 40 -7.633 8.030 4.526 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.284 5.742 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.788 7.093 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.632 8.064 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.081 8.225 6.887 1.00 0.00 H new ATOM 603 N PRO A 41 -9.122 5.785 7.001 1.00 0.00 N ATOM 604 CA PRO A 41 -9.923 4.892 7.841 1.00 0.00 C ATOM 605 C PRO A 41 -10.377 3.612 7.124 1.00 0.00 C ATOM 606 O PRO A 41 -10.752 2.637 7.782 1.00 0.00 O ATOM 607 CB PRO A 41 -11.108 5.728 8.336 1.00 0.00 C ATOM 608 CG PRO A 41 -11.298 6.758 7.232 1.00 0.00 C ATOM 609 CD PRO A 41 -9.873 7.015 6.759 1.00 0.00 C ATOM 0 HA PRO A 41 -9.320 4.520 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.001 5.118 8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.894 6.201 9.294 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.928 6.377 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.770 7.667 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.858 7.276 5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.431 7.851 7.300 1.00 0.00 H new ATOM 617 N GLU A 42 -10.321 3.579 5.787 1.00 0.00 N ATOM 618 CA GLU A 42 -10.546 2.359 5.003 1.00 0.00 C ATOM 619 C GLU A 42 -9.244 1.586 4.747 1.00 0.00 C ATOM 620 O GLU A 42 -9.233 0.360 4.803 1.00 0.00 O ATOM 621 CB GLU A 42 -11.199 2.726 3.666 1.00 0.00 C ATOM 622 CG GLU A 42 -12.679 3.086 3.836 1.00 0.00 C ATOM 623 CD GLU A 42 -13.367 3.205 2.466 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.429 2.181 1.743 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.844 4.313 2.108 1.00 0.00 O ATOM 0 H GLU A 42 -10.118 4.400 5.217 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.204 1.710 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.669 3.568 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.106 1.889 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.178 2.324 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.770 4.027 4.378 1.00 0.00 H new ATOM 632 N TYR A 43 -8.128 2.278 4.509 1.00 0.00 N ATOM 633 CA TYR A 43 -6.853 1.618 4.251 1.00 0.00 C ATOM 634 C TYR A 43 -6.278 0.924 5.502 1.00 0.00 C ATOM 635 O TYR A 43 -5.702 -0.158 5.395 1.00 0.00 O ATOM 636 CB TYR A 43 -5.869 2.622 3.636 1.00 0.00 C ATOM 637 CG TYR A 43 -4.764 1.969 2.830 1.00 0.00 C ATOM 638 CD1 TYR A 43 -5.102 1.184 1.706 1.00 0.00 C ATOM 639 CD2 TYR A 43 -3.414 2.157 3.173 1.00 0.00 C ATOM 640 CE1 TYR A 43 -4.090 0.592 0.930 1.00 0.00 C ATOM 641 CE2 TYR A 43 -2.397 1.581 2.387 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.732 0.816 1.251 1.00 0.00 C ATOM 643 OH TYR A 43 -1.753 0.294 0.464 1.00 0.00 O ATOM 0 H TYR A 43 -8.085 3.297 4.490 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.024 0.816 3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.418 3.310 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.423 3.217 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -6.139 1.038 1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.156 2.745 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.350 -0.034 0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.361 1.725 2.654 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.876 0.543 0.824 1.00 0.00 H new ATOM 653 N GLU A 44 -6.494 1.477 6.706 1.00 0.00 N ATOM 654 CA GLU A 44 -6.178 0.780 7.967 1.00 0.00 C ATOM 655 C GLU A 44 -7.063 -0.452 8.215 1.00 0.00 C ATOM 656 O GLU A 44 -6.593 -1.467 8.733 1.00 0.00 O ATOM 657 CB GLU A 44 -6.196 1.752 9.155 1.00 0.00 C ATOM 658 CG GLU A 44 -7.585 2.151 9.682 1.00 0.00 C ATOM 659 CD GLU A 44 -7.512 3.161 10.849 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.476 3.240 11.554 1.00 0.00 O ATOM 661 OE2 GLU A 44 -8.524 3.859 11.109 1.00 0.00 O ATOM 0 H GLU A 44 -6.888 2.409 6.835 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.163 0.395 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.634 1.303 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.666 2.659 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.167 2.583 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.114 1.257 10.013 1.00 0.00 H new ATOM 668 N ALA A 45 -8.335 -0.402 7.799 1.00 0.00 N ATOM 669 CA ALA A 45 -9.219 -1.568 7.817 1.00 0.00 C ATOM 670 C ALA A 45 -8.723 -2.656 6.852 1.00 0.00 C ATOM 671 O ALA A 45 -8.639 -3.817 7.242 1.00 0.00 O ATOM 672 CB ALA A 45 -10.660 -1.142 7.522 1.00 0.00 C ATOM 0 H ALA A 45 -8.776 0.446 7.442 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.202 -2.007 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.309 -2.018 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.991 -0.431 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.707 -0.674 6.539 1.00 0.00 H new ATOM 678 N ALA A 46 -8.293 -2.297 5.635 1.00 0.00 N ATOM 679 CA ALA A 46 -7.651 -3.234 4.713 1.00 0.00 C ATOM 680 C ALA A 46 -6.368 -3.852 5.296 1.00 0.00 C ATOM 681 O ALA A 46 -6.179 -5.063 5.223 1.00 0.00 O ATOM 682 CB ALA A 46 -7.346 -2.524 3.395 1.00 0.00 C ATOM 0 H ALA A 46 -8.382 -1.350 5.266 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.346 -4.056 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.868 -3.222 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.274 -2.160 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.678 -1.683 3.581 1.00 0.00 H new ATOM 688 N ALA A 47 -5.515 -3.038 5.927 1.00 0.00 N ATOM 689 CA ALA A 47 -4.275 -3.498 6.557 1.00 0.00 C ATOM 690 C ALA A 47 -4.530 -4.430 7.753 1.00 0.00 C ATOM 691 O ALA A 47 -3.804 -5.400 7.944 1.00 0.00 O ATOM 692 CB ALA A 47 -3.453 -2.271 6.963 1.00 0.00 C ATOM 0 H ALA A 47 -5.668 -2.033 6.015 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.716 -4.096 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.525 -2.594 7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.223 -1.678 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.025 -1.666 7.666 1.00 0.00 H new ATOM 698 N THR A 48 -5.602 -4.182 8.513 1.00 0.00 N ATOM 699 CA THR A 48 -6.085 -5.075 9.583 1.00 0.00 C ATOM 700 C THR A 48 -6.626 -6.397 9.013 1.00 0.00 C ATOM 701 O THR A 48 -6.294 -7.471 9.517 1.00 0.00 O ATOM 702 CB THR A 48 -7.184 -4.377 10.411 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.733 -3.129 10.894 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.602 -5.200 11.635 1.00 0.00 C ATOM 0 H THR A 48 -6.171 -3.342 8.404 1.00 0.00 H new ATOM 0 HA THR A 48 -5.236 -5.303 10.228 1.00 0.00 H new ATOM 0 HB THR A 48 -8.032 -4.259 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.710 -2.482 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.377 -4.666 12.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.988 -6.166 11.309 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.739 -5.354 12.282 1.00 0.00 H new ATOM 712 N ARG A 49 -7.416 -6.339 7.930 1.00 0.00 N ATOM 713 CA ARG A 49 -8.012 -7.515 7.255 1.00 0.00 C ATOM 714 C ARG A 49 -6.985 -8.398 6.533 1.00 0.00 C ATOM 715 O ARG A 49 -7.212 -9.597 6.368 1.00 0.00 O ATOM 716 CB ARG A 49 -9.075 -7.046 6.251 1.00 0.00 C ATOM 717 CG ARG A 49 -10.345 -6.478 6.924 1.00 0.00 C ATOM 718 CD ARG A 49 -11.171 -5.733 5.867 1.00 0.00 C ATOM 719 NE ARG A 49 -12.460 -5.223 6.373 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.463 -4.806 5.619 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.367 -4.747 4.319 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.596 -4.446 6.143 1.00 0.00 N ATOM 0 H ARG A 49 -7.667 -5.456 7.485 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.456 -8.129 8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.642 -6.282 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.355 -7.883 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.932 -7.284 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.073 -5.803 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.585 -4.898 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.359 -6.402 5.028 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.587 -5.190 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.501 -5.027 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.158 -4.421 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.725 -4.482 7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.357 -4.127 5.543 1.00 0.00 H new ATOM 736 N LEU A 50 -5.851 -7.816 6.127 1.00 0.00 N ATOM 737 CA LEU A 50 -4.773 -8.470 5.365 1.00 0.00 C ATOM 738 C LEU A 50 -3.468 -8.639 6.168 1.00 0.00 C ATOM 739 O LEU A 50 -2.444 -9.006 5.592 1.00 0.00 O ATOM 740 CB LEU A 50 -4.527 -7.703 4.043 1.00 0.00 C ATOM 741 CG LEU A 50 -5.741 -7.621 3.095 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.392 -6.752 1.892 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.173 -8.988 2.583 1.00 0.00 C ATOM 0 H LEU A 50 -5.648 -6.837 6.327 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.107 -9.483 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.206 -6.690 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.704 -8.181 3.512 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.563 -7.193 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.251 -6.695 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.129 -5.750 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.546 -7.189 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.031 -8.874 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.350 -9.448 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.448 -9.622 3.426 1.00 0.00 H new ATOM 755 N LYS A 51 -3.478 -8.395 7.485 1.00 0.00 N ATOM 756 CA LYS A 51 -2.309 -8.567 8.365 1.00 0.00 C ATOM 757 C LYS A 51 -1.815 -10.024 8.335 1.00 0.00 C ATOM 758 O LYS A 51 -2.561 -10.945 8.676 1.00 0.00 O ATOM 759 CB LYS A 51 -2.703 -8.113 9.784 1.00 0.00 C ATOM 760 CG LYS A 51 -1.514 -7.855 10.719 1.00 0.00 C ATOM 761 CD LYS A 51 -0.606 -6.668 10.337 1.00 0.00 C ATOM 762 CE LYS A 51 -1.382 -5.340 10.278 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.483 -4.187 9.986 1.00 0.00 N ATOM 0 H LYS A 51 -4.309 -8.068 7.978 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.477 -7.955 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.296 -7.201 9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.343 -8.873 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.897 -7.686 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.904 -8.757 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.203 -6.583 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.146 -6.862 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.153 -5.403 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.890 -5.173 11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.050 -3.321 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.195 -4.070 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.034 -4.365 9.101 1.00 0.00 H new ATOM 777 N GLY A 52 -0.583 -10.243 7.859 1.00 0.00 N ATOM 778 CA GLY A 52 -0.017 -11.584 7.622 1.00 0.00 C ATOM 779 C GLY A 52 -0.433 -12.240 6.294 1.00 0.00 C ATOM 780 O GLY A 52 -0.082 -13.397 6.058 1.00 0.00 O ATOM 0 H GLY A 52 0.060 -9.487 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.070 -11.513 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.315 -12.238 8.442 1.00 0.00 H new ATOM 784 N ILE A 53 -1.157 -11.514 5.430 1.00 0.00 N ATOM 785 CA ILE A 53 -1.626 -11.969 4.098 1.00 0.00 C ATOM 786 C ILE A 53 -1.021 -11.085 2.993 1.00 0.00 C ATOM 787 O ILE A 53 -0.424 -11.611 2.058 1.00 0.00 O ATOM 788 CB ILE A 53 -3.181 -11.984 4.030 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.788 -12.791 5.205 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.662 -12.530 2.670 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.321 -12.845 5.225 1.00 0.00 C ATOM 0 H ILE A 53 -1.446 -10.559 5.640 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.286 -12.992 3.938 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.532 -10.956 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.403 -13.810 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.442 -12.357 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.752 -12.532 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.281 -11.897 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.294 -13.547 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.653 -13.431 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.720 -11.833 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.681 -13.309 4.307 1.00 0.00 H new ATOM 803 N VAL A 54 -1.101 -9.756 3.150 1.00 0.00 N ATOM 804 CA VAL A 54 -0.410 -8.726 2.345 1.00 0.00 C ATOM 805 C VAL A 54 -0.072 -7.550 3.273 1.00 0.00 C ATOM 806 O VAL A 54 -0.976 -6.790 3.630 1.00 0.00 O ATOM 807 CB VAL A 54 -1.243 -8.213 1.143 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.463 -7.159 0.346 1.00 0.00 C ATOM 809 CG2 VAL A 54 -1.607 -9.329 0.157 1.00 0.00 C ATOM 0 H VAL A 54 -1.680 -9.343 3.881 1.00 0.00 H new ATOM 0 HA VAL A 54 0.484 -9.182 1.920 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.151 -7.795 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.069 -6.815 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.226 -6.315 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.461 -7.598 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.190 -8.913 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.695 -9.779 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.195 -10.090 0.670 1.00 0.00 H new ATOM 819 N PRO A 55 1.192 -7.388 3.713 1.00 0.00 N ATOM 820 CA PRO A 55 1.648 -6.195 4.421 1.00 0.00 C ATOM 821 C PRO A 55 1.283 -4.905 3.678 1.00 0.00 C ATOM 822 O PRO A 55 1.514 -4.785 2.471 1.00 0.00 O ATOM 823 CB PRO A 55 3.167 -6.348 4.556 1.00 0.00 C ATOM 824 CG PRO A 55 3.379 -7.862 4.516 1.00 0.00 C ATOM 825 CD PRO A 55 2.287 -8.332 3.564 1.00 0.00 C ATOM 0 HA PRO A 55 1.162 -6.112 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.694 -5.847 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.533 -5.916 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.373 -8.122 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.275 -8.311 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.648 -8.352 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.965 -9.344 3.808 1.00 0.00 H new ATOM 833 N LEU A 56 0.747 -3.925 4.416 1.00 0.00 N ATOM 834 CA LEU A 56 0.288 -2.635 3.895 1.00 0.00 C ATOM 835 C LEU A 56 1.059 -1.470 4.528 1.00 0.00 C ATOM 836 O LEU A 56 1.259 -1.431 5.746 1.00 0.00 O ATOM 837 CB LEU A 56 -1.232 -2.493 4.115 1.00 0.00 C ATOM 838 CG LEU A 56 -2.040 -2.523 2.809 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.028 -3.888 2.124 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.500 -2.185 3.096 1.00 0.00 C ATOM 0 H LEU A 56 0.618 -4.013 5.424 1.00 0.00 H new ATOM 0 HA LEU A 56 0.487 -2.601 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.575 -3.298 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.431 -1.556 4.636 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.568 -1.794 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.617 -3.841 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.002 -4.165 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.457 -4.634 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.068 -2.208 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.913 -2.916 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.563 -1.190 3.536 1.00 0.00 H new ATOM 852 N ALA A 57 1.470 -0.503 3.701 1.00 0.00 N ATOM 853 CA ALA A 57 2.261 0.649 4.128 1.00 0.00 C ATOM 854 C ALA A 57 1.793 1.958 3.464 1.00 0.00 C ATOM 855 O ALA A 57 1.066 1.931 2.468 1.00 0.00 O ATOM 856 CB ALA A 57 3.741 0.363 3.823 1.00 0.00 C ATOM 0 H ALA A 57 1.258 -0.501 2.703 1.00 0.00 H new ATOM 0 HA ALA A 57 2.125 0.794 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.348 1.213 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.059 -0.528 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.867 0.201 2.753 1.00 0.00 H new ATOM 862 N LYS A 58 2.246 3.101 3.991 1.00 0.00 N ATOM 863 CA LYS A 58 1.962 4.432 3.447 1.00 0.00 C ATOM 864 C LYS A 58 3.203 5.337 3.501 1.00 0.00 C ATOM 865 O LYS A 58 3.989 5.264 4.452 1.00 0.00 O ATOM 866 CB LYS A 58 0.739 5.041 4.155 1.00 0.00 C ATOM 867 CG LYS A 58 0.965 5.333 5.652 1.00 0.00 C ATOM 868 CD LYS A 58 -0.298 5.915 6.299 1.00 0.00 C ATOM 869 CE LYS A 58 -0.026 6.207 7.780 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.197 6.839 8.445 1.00 0.00 N ATOM 0 H LYS A 58 2.833 3.126 4.825 1.00 0.00 H new ATOM 0 HA LYS A 58 1.710 4.339 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.464 5.968 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.105 4.359 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.250 4.415 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.792 6.033 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.594 6.830 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.126 5.213 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.225 5.279 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.839 6.864 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.973 7.020 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.422 7.738 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.017 6.202 8.384 1.00 0.00 H new ATOM 884 N VAL A 59 3.384 6.170 2.468 1.00 0.00 N ATOM 885 CA VAL A 59 4.601 6.979 2.239 1.00 0.00 C ATOM 886 C VAL A 59 4.241 8.374 1.716 1.00 0.00 C ATOM 887 O VAL A 59 3.478 8.518 0.757 1.00 0.00 O ATOM 888 CB VAL A 59 5.543 6.279 1.230 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.862 7.050 1.049 1.00 0.00 C ATOM 890 CG2 VAL A 59 5.913 4.848 1.655 1.00 0.00 C ATOM 0 H VAL A 59 2.675 6.308 1.748 1.00 0.00 H new ATOM 0 HA VAL A 59 5.113 7.081 3.196 1.00 0.00 H new ATOM 0 HB VAL A 59 4.980 6.253 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.495 6.525 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.649 8.053 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.378 7.119 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.575 4.407 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.419 4.874 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.007 4.247 1.737 1.00 0.00 H new ATOM 900 N ASP A 60 4.816 9.413 2.329 1.00 0.00 N ATOM 901 CA ASP A 60 4.626 10.817 1.942 1.00 0.00 C ATOM 902 C ASP A 60 5.590 11.251 0.810 1.00 0.00 C ATOM 903 O ASP A 60 6.806 11.300 0.994 1.00 0.00 O ATOM 904 CB ASP A 60 4.831 11.723 3.168 1.00 0.00 C ATOM 905 CG ASP A 60 3.664 11.643 4.161 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.705 12.440 4.021 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.722 10.823 5.108 1.00 0.00 O ATOM 0 H ASP A 60 5.441 9.300 3.127 1.00 0.00 H new ATOM 0 HA ASP A 60 3.609 10.917 1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.754 11.440 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.952 12.754 2.837 1.00 0.00 H new ATOM 912 N CYS A 61 5.053 11.637 -0.349 1.00 0.00 N ATOM 913 CA CYS A 61 5.781 12.196 -1.490 1.00 0.00 C ATOM 914 C CYS A 61 6.574 13.477 -1.162 1.00 0.00 C ATOM 915 O CYS A 61 7.698 13.647 -1.641 1.00 0.00 O ATOM 916 CB CYS A 61 4.755 12.491 -2.589 1.00 0.00 C ATOM 917 SG CYS A 61 5.425 13.213 -4.114 1.00 0.00 S ATOM 0 H CYS A 61 4.051 11.565 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 61 6.525 11.464 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.243 11.562 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.003 13.170 -2.187 1.00 0.00 H new ATOM 922 N THR A 62 6.023 14.380 -0.337 1.00 0.00 N ATOM 923 CA THR A 62 6.739 15.596 0.091 1.00 0.00 C ATOM 924 C THR A 62 7.890 15.289 1.058 1.00 0.00 C ATOM 925 O THR A 62 8.865 16.039 1.118 1.00 0.00 O ATOM 926 CB THR A 62 5.775 16.636 0.694 1.00 0.00 C ATOM 927 OG1 THR A 62 6.386 17.907 0.748 1.00 0.00 O ATOM 928 CG2 THR A 62 5.271 16.290 2.099 1.00 0.00 C ATOM 0 H THR A 62 5.083 14.293 0.049 1.00 0.00 H new ATOM 0 HA THR A 62 7.182 16.026 -0.807 1.00 0.00 H new ATOM 0 HB THR A 62 4.913 16.636 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.759 18.555 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.599 17.074 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.737 15.340 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.118 16.209 2.780 1.00 0.00 H new ATOM 936 N ALA A 63 7.796 14.172 1.787 1.00 0.00 N ATOM 937 CA ALA A 63 8.856 13.698 2.685 1.00 0.00 C ATOM 938 C ALA A 63 9.949 12.891 1.954 1.00 0.00 C ATOM 939 O ALA A 63 11.122 12.948 2.337 1.00 0.00 O ATOM 940 CB ALA A 63 8.208 12.868 3.801 1.00 0.00 C ATOM 0 H ALA A 63 6.976 13.566 1.771 1.00 0.00 H new ATOM 0 HA ALA A 63 9.366 14.565 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.980 12.506 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.501 13.488 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.682 12.019 3.364 1.00 0.00 H new ATOM 946 N ASN A 64 9.590 12.172 0.878 1.00 0.00 N ATOM 947 CA ASN A 64 10.503 11.390 0.034 1.00 0.00 C ATOM 948 C ASN A 64 10.178 11.558 -1.456 1.00 0.00 C ATOM 949 O ASN A 64 9.579 10.704 -2.119 1.00 0.00 O ATOM 950 CB ASN A 64 10.491 9.913 0.421 1.00 0.00 C ATOM 951 CG ASN A 64 11.034 9.650 1.814 1.00 0.00 C ATOM 952 OD1 ASN A 64 12.220 9.773 2.089 1.00 0.00 O ATOM 953 ND2 ASN A 64 10.189 9.242 2.735 1.00 0.00 N ATOM 0 H ASN A 64 8.622 12.119 0.562 1.00 0.00 H new ATOM 0 HA ASN A 64 11.507 11.778 0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.469 9.538 0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.081 9.351 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.523 9.029 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.200 9.138 2.509 1.00 0.00 H new ATOM 960 N THR A 65 10.592 12.699 -1.993 1.00 0.00 N ATOM 961 CA THR A 65 10.315 13.104 -3.383 1.00 0.00 C ATOM 962 C THR A 65 11.166 12.313 -4.380 1.00 0.00 C ATOM 963 O THR A 65 10.726 12.034 -5.494 1.00 0.00 O ATOM 964 CB THR A 65 10.508 14.619 -3.558 1.00 0.00 C ATOM 965 OG1 THR A 65 9.757 15.302 -2.574 1.00 0.00 O ATOM 966 CG2 THR A 65 10.030 15.125 -4.916 1.00 0.00 C ATOM 0 H THR A 65 11.139 13.386 -1.474 1.00 0.00 H new ATOM 0 HA THR A 65 9.272 12.871 -3.596 1.00 0.00 H new ATOM 0 HB THR A 65 11.578 14.807 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.037 14.721 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.192 16.201 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.589 14.626 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.968 14.910 -5.031 1.00 0.00 H new ATOM 974 N ASN A 66 12.346 11.864 -3.947 1.00 0.00 N ATOM 975 CA ASN A 66 13.220 10.920 -4.640 1.00 0.00 C ATOM 976 C ASN A 66 12.546 9.571 -4.934 1.00 0.00 C ATOM 977 O ASN A 66 12.586 9.105 -6.072 1.00 0.00 O ATOM 978 CB ASN A 66 14.521 10.782 -3.819 1.00 0.00 C ATOM 979 CG ASN A 66 14.368 10.386 -2.351 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.287 10.200 -1.809 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.462 10.310 -1.635 1.00 0.00 N ATOM 0 H ASN A 66 12.737 12.167 -3.055 1.00 0.00 H new ATOM 0 HA ASN A 66 13.456 11.311 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.154 10.041 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.052 11.733 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.406 10.098 -0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.370 10.463 -2.074 1.00 0.00 H new ATOM 988 N THR A 67 11.854 8.986 -3.952 1.00 0.00 N ATOM 989 CA THR A 67 10.995 7.810 -4.146 1.00 0.00 C ATOM 990 C THR A 67 9.796 8.159 -5.038 1.00 0.00 C ATOM 991 O THR A 67 9.502 7.443 -5.989 1.00 0.00 O ATOM 992 CB THR A 67 10.502 7.263 -2.794 1.00 0.00 C ATOM 993 OG1 THR A 67 11.601 6.994 -1.955 1.00 0.00 O ATOM 994 CG2 THR A 67 9.728 5.952 -2.931 1.00 0.00 C ATOM 0 H THR A 67 11.874 9.318 -2.988 1.00 0.00 H new ATOM 0 HA THR A 67 11.588 7.039 -4.638 1.00 0.00 H new ATOM 0 HB THR A 67 9.845 8.029 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.280 6.648 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.406 5.615 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.855 6.109 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.371 5.195 -3.381 1.00 0.00 H new ATOM 1002 N CYS A 68 9.136 9.290 -4.771 1.00 0.00 N ATOM 1003 CA CYS A 68 7.868 9.683 -5.396 1.00 0.00 C ATOM 1004 C CYS A 68 7.969 9.811 -6.927 1.00 0.00 C ATOM 1005 O CYS A 68 7.170 9.223 -7.664 1.00 0.00 O ATOM 1006 CB CYS A 68 7.422 11.002 -4.750 1.00 0.00 C ATOM 1007 SG CYS A 68 5.804 11.601 -5.282 1.00 0.00 S ATOM 0 H CYS A 68 9.477 9.976 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 68 7.128 8.902 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.407 10.873 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.167 11.767 -4.970 1.00 0.00 H new ATOM 1012 N ASN A 69 8.979 10.543 -7.413 1.00 0.00 N ATOM 1013 CA ASN A 69 9.151 10.780 -8.848 1.00 0.00 C ATOM 1014 C ASN A 69 9.663 9.544 -9.594 1.00 0.00 C ATOM 1015 O ASN A 69 9.212 9.252 -10.705 1.00 0.00 O ATOM 1016 CB ASN A 69 10.053 12.002 -9.063 1.00 0.00 C ATOM 1017 CG ASN A 69 11.552 11.745 -9.067 1.00 0.00 C ATOM 1018 OD1 ASN A 69 12.152 11.401 -10.075 1.00 0.00 O ATOM 1019 ND2 ASN A 69 12.210 11.920 -7.948 1.00 0.00 N ATOM 0 H ASN A 69 9.691 10.982 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 69 8.171 10.990 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.783 12.463 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.833 12.730 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.218 11.769 -7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.714 12.207 -7.104 1.00 0.00 H new ATOM 1026 N LYS A 70 10.548 8.782 -8.943 1.00 0.00 N ATOM 1027 CA LYS A 70 11.059 7.495 -9.455 1.00 0.00 C ATOM 1028 C LYS A 70 9.931 6.459 -9.630 1.00 0.00 C ATOM 1029 O LYS A 70 10.001 5.610 -10.519 1.00 0.00 O ATOM 1030 CB LYS A 70 12.172 6.998 -8.512 1.00 0.00 C ATOM 1031 CG LYS A 70 12.858 5.709 -8.992 1.00 0.00 C ATOM 1032 CD LYS A 70 14.012 5.323 -8.054 1.00 0.00 C ATOM 1033 CE LYS A 70 14.685 4.042 -8.561 1.00 0.00 C ATOM 1034 NZ LYS A 70 15.844 3.657 -7.712 1.00 0.00 N ATOM 0 H LYS A 70 10.937 9.039 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 70 11.478 7.640 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.923 7.781 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.748 6.827 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.131 4.898 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.237 5.849 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.740 6.133 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.636 5.171 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.958 3.230 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.019 4.188 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.274 2.787 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.549 4.422 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.521 3.493 -6.737 1.00 0.00 H new ATOM 1048 N TYR A 71 8.889 6.552 -8.798 1.00 0.00 N ATOM 1049 CA TYR A 71 7.781 5.577 -8.715 1.00 0.00 C ATOM 1050 C TYR A 71 6.590 5.940 -9.614 1.00 0.00 C ATOM 1051 O TYR A 71 5.675 5.130 -9.800 1.00 0.00 O ATOM 1052 CB TYR A 71 7.347 5.415 -7.248 1.00 0.00 C ATOM 1053 CG TYR A 71 8.211 4.499 -6.384 1.00 0.00 C ATOM 1054 CD1 TYR A 71 9.575 4.289 -6.679 1.00 0.00 C ATOM 1055 CD2 TYR A 71 7.635 3.848 -5.278 1.00 0.00 C ATOM 1056 CE1 TYR A 71 10.348 3.410 -5.895 1.00 0.00 C ATOM 1057 CE2 TYR A 71 8.402 2.964 -4.489 1.00 0.00 C ATOM 1058 CZ TYR A 71 9.761 2.732 -4.807 1.00 0.00 C ATOM 1059 OH TYR A 71 10.506 1.880 -4.051 1.00 0.00 O ATOM 0 H TYR A 71 8.784 7.327 -8.143 1.00 0.00 H new ATOM 0 HA TYR A 71 8.152 4.624 -9.091 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.327 6.402 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.325 5.035 -7.233 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.029 4.806 -7.511 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.599 4.026 -5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.391 3.255 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.952 2.465 -3.643 1.00 0.00 H new ATOM 0 HH TYR A 71 10.076 1.755 -3.179 1.00 0.00 H new ATOM 1069 N GLY A 72 6.604 7.149 -10.177 1.00 0.00 N ATOM 1070 CA GLY A 72 5.574 7.658 -11.096 1.00 0.00 C ATOM 1071 C GLY A 72 4.362 8.259 -10.376 1.00 0.00 C ATOM 1072 O GLY A 72 3.274 8.340 -10.951 1.00 0.00 O ATOM 0 H GLY A 72 7.350 7.823 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.016 8.416 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.239 6.846 -11.741 1.00 0.00 H new ATOM 1076 N VAL A 73 4.527 8.669 -9.112 1.00 0.00 N ATOM 1077 CA VAL A 73 3.466 9.220 -8.247 1.00 0.00 C ATOM 1078 C VAL A 73 3.246 10.720 -8.545 1.00 0.00 C ATOM 1079 O VAL A 73 3.393 11.603 -7.701 1.00 0.00 O ATOM 1080 CB VAL A 73 3.743 8.912 -6.761 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.526 9.239 -5.890 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.076 7.430 -6.513 1.00 0.00 C ATOM 0 H VAL A 73 5.432 8.626 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 73 2.523 8.724 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 73 4.599 9.533 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.752 9.011 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.284 10.297 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.675 8.641 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.262 7.272 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.237 6.810 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.965 7.157 -7.081 1.00 0.00 H new ATOM 1092 N SER A 74 2.912 11.017 -9.803 1.00 0.00 N ATOM 1093 CA SER A 74 2.539 12.357 -10.298 1.00 0.00 C ATOM 1094 C SER A 74 1.247 12.955 -9.689 1.00 0.00 C ATOM 1095 O SER A 74 0.929 14.123 -9.934 1.00 0.00 O ATOM 1096 CB SER A 74 2.395 12.322 -11.825 1.00 0.00 C ATOM 1097 OG SER A 74 3.567 11.790 -12.438 1.00 0.00 O ATOM 0 H SER A 74 2.891 10.309 -10.537 1.00 0.00 H new ATOM 0 HA SER A 74 3.350 13.011 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.531 11.716 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.210 13.329 -12.199 1.00 0.00 H new ATOM 0 HG SER A 74 3.450 11.776 -13.411 1.00 0.00 H new ATOM 1103 N GLY A 75 0.499 12.175 -8.903 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.699 12.551 -8.165 1.00 0.00 C ATOM 1105 C GLY A 75 -1.064 11.457 -7.153 1.00 0.00 C ATOM 1106 O GLY A 75 -0.378 10.433 -7.046 1.00 0.00 O ATOM 0 H GLY A 75 0.737 11.194 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.534 13.496 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.527 12.707 -8.857 1.00 0.00 H new ATOM 1110 N TYR A 76 -2.146 11.675 -6.408 1.00 0.00 N ATOM 1111 CA TYR A 76 -2.564 10.840 -5.263 1.00 0.00 C ATOM 1112 C TYR A 76 -4.106 10.725 -5.125 1.00 0.00 C ATOM 1113 O TYR A 76 -4.827 11.577 -5.663 1.00 0.00 O ATOM 1114 CB TYR A 76 -1.982 11.394 -3.942 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.805 12.352 -4.029 1.00 0.00 C ATOM 1116 CD1 TYR A 76 0.492 11.853 -4.258 1.00 0.00 C ATOM 1117 CD2 TYR A 76 -1.008 13.740 -3.888 1.00 0.00 C ATOM 1118 CE1 TYR A 76 1.577 12.740 -4.398 1.00 0.00 C ATOM 1119 CE2 TYR A 76 0.074 14.629 -4.018 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.368 14.135 -4.286 1.00 0.00 C ATOM 1121 OH TYR A 76 2.407 15.003 -4.422 1.00 0.00 O ATOM 0 H TYR A 76 -2.779 12.456 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.172 9.842 -5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.786 11.900 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.678 10.546 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.655 10.788 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.997 14.121 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.568 12.356 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.086 15.692 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 76 3.253 14.514 -4.353 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.623 9.740 -4.356 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.899 8.602 -3.772 1.00 0.00 C ATOM 1133 C PRO A 77 -3.460 7.606 -4.854 1.00 0.00 C ATOM 1134 O PRO A 77 -4.220 7.287 -5.774 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.876 7.954 -2.781 1.00 0.00 C ATOM 1136 CG PRO A 77 -6.248 8.292 -3.366 1.00 0.00 C ATOM 1137 CD PRO A 77 -6.037 9.665 -4.000 1.00 0.00 C ATOM 0 HA PRO A 77 -2.984 8.924 -3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.723 6.877 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.757 8.359 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.563 7.554 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.017 8.320 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.667 9.787 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.305 10.460 -3.304 1.00 0.00 H new ATOM 1145 N THR A 78 -2.236 7.088 -4.720 1.00 0.00 N ATOM 1146 CA THR A 78 -1.604 6.183 -5.701 1.00 0.00 C ATOM 1147 C THR A 78 -1.101 4.933 -4.993 1.00 0.00 C ATOM 1148 O THR A 78 -0.185 5.000 -4.182 1.00 0.00 O ATOM 1149 CB THR A 78 -0.476 6.904 -6.452 1.00 0.00 C ATOM 1150 OG1 THR A 78 -1.048 7.848 -7.330 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.383 5.983 -7.319 1.00 0.00 C ATOM 0 H THR A 78 -1.641 7.285 -3.915 1.00 0.00 H new ATOM 0 HA THR A 78 -2.343 5.880 -6.443 1.00 0.00 H new ATOM 0 HB THR A 78 0.159 7.346 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.716 8.743 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.157 6.568 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.849 5.223 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.244 5.500 -8.068 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.719 3.787 -5.272 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.348 2.494 -4.692 1.00 0.00 C ATOM 1161 C LEU A 79 -0.458 1.687 -5.668 1.00 0.00 C ATOM 1162 O LEU A 79 -0.727 1.648 -6.872 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.621 1.707 -4.313 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.458 2.267 -3.141 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.434 3.375 -3.558 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.314 1.136 -2.572 1.00 0.00 C ATOM 0 H LEU A 79 -2.506 3.728 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.765 2.666 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.262 1.651 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.329 0.686 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.747 2.680 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.987 3.720 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.877 4.208 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.132 2.985 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.912 1.514 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.974 0.752 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.667 0.334 -2.217 1.00 0.00 H new ATOM 1178 N LYS A 80 0.588 1.030 -5.150 1.00 0.00 N ATOM 1179 CA LYS A 80 1.560 0.234 -5.934 1.00 0.00 C ATOM 1180 C LYS A 80 1.869 -1.116 -5.276 1.00 0.00 C ATOM 1181 O LYS A 80 1.867 -1.233 -4.052 1.00 0.00 O ATOM 1182 CB LYS A 80 2.873 1.020 -6.128 1.00 0.00 C ATOM 1183 CG LYS A 80 2.732 2.333 -6.925 1.00 0.00 C ATOM 1184 CD LYS A 80 4.048 3.128 -6.968 1.00 0.00 C ATOM 1185 CE LYS A 80 5.214 2.388 -7.637 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.089 2.360 -9.113 1.00 0.00 N ATOM 0 H LYS A 80 0.793 1.033 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 80 1.099 0.040 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.290 1.250 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.592 0.378 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.412 2.107 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.952 2.948 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.876 4.064 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.335 3.387 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.152 2.870 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.258 1.367 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.907 1.865 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.215 1.862 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.056 3.334 -9.477 1.00 0.00 H new ATOM 1200 N ILE A 81 2.170 -2.112 -6.115 1.00 0.00 N ATOM 1201 CA ILE A 81 2.452 -3.508 -5.744 1.00 0.00 C ATOM 1202 C ILE A 81 3.946 -3.804 -5.907 1.00 0.00 C ATOM 1203 O ILE A 81 4.570 -3.405 -6.899 1.00 0.00 O ATOM 1204 CB ILE A 81 1.628 -4.466 -6.635 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.124 -4.315 -6.331 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.055 -5.934 -6.447 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.763 -4.990 -7.385 1.00 0.00 C ATOM 0 H ILE A 81 2.227 -1.962 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 81 2.172 -3.659 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 81 1.820 -4.193 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.090 -4.745 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.127 -3.256 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.452 -6.574 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.107 -6.043 -6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.909 -6.225 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.811 -4.852 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.573 -4.543 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.536 -6.055 -7.424 1.00 0.00 H new ATOM 1219 N PHE A 82 4.483 -4.588 -4.970 1.00 0.00 N ATOM 1220 CA PHE A 82 5.881 -4.993 -4.918 1.00 0.00 C ATOM 1221 C PHE A 82 5.996 -6.510 -4.702 1.00 0.00 C ATOM 1222 O PHE A 82 6.184 -7.007 -3.587 1.00 0.00 O ATOM 1223 CB PHE A 82 6.614 -4.193 -3.842 1.00 0.00 C ATOM 1224 CG PHE A 82 6.517 -2.692 -4.048 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.447 -1.965 -3.496 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.460 -2.044 -4.867 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.316 -0.593 -3.763 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.337 -0.667 -5.128 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.261 0.056 -4.578 1.00 0.00 C ATOM 0 H PHE A 82 3.933 -4.970 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 82 6.359 -4.774 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.203 -4.447 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.664 -4.485 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.725 -2.463 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.278 -2.604 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.491 -0.037 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.066 -0.166 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.161 1.112 -4.783 1.00 0.00 H new ATOM 1239 N ARG A 83 5.791 -7.263 -5.788 1.00 0.00 N ATOM 1240 CA ARG A 83 5.805 -8.737 -5.799 1.00 0.00 C ATOM 1241 C ARG A 83 7.206 -9.259 -5.462 1.00 0.00 C ATOM 1242 O ARG A 83 8.195 -8.833 -6.055 1.00 0.00 O ATOM 1243 CB ARG A 83 5.300 -9.240 -7.162 1.00 0.00 C ATOM 1244 CG ARG A 83 5.046 -10.755 -7.154 1.00 0.00 C ATOM 1245 CD ARG A 83 4.493 -11.207 -8.511 1.00 0.00 C ATOM 1246 NE ARG A 83 4.183 -12.653 -8.521 1.00 0.00 N ATOM 1247 CZ ARG A 83 4.997 -13.652 -8.828 1.00 0.00 C ATOM 1248 NH1 ARG A 83 6.240 -13.466 -9.183 1.00 0.00 N ATOM 1249 NH2 ARG A 83 4.563 -14.882 -8.782 1.00 0.00 N ATOM 0 H ARG A 83 5.606 -6.859 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 83 5.134 -9.124 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.379 -8.719 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.032 -8.999 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.973 -11.285 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.340 -11.009 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.592 -10.640 -8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.220 -10.985 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 83 3.231 -12.911 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.620 -12.521 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.831 -14.266 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.599 -15.073 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.188 -15.653 -9.018 1.00 0.00 H new ATOM 1263 N ASP A 84 7.285 -10.162 -4.486 1.00 0.00 N ATOM 1264 CA ASP A 84 8.528 -10.653 -3.870 1.00 0.00 C ATOM 1265 C ASP A 84 9.525 -9.531 -3.469 1.00 0.00 C ATOM 1266 O ASP A 84 10.746 -9.723 -3.470 1.00 0.00 O ATOM 1267 CB ASP A 84 9.136 -11.740 -4.776 1.00 0.00 C ATOM 1268 CG ASP A 84 10.212 -12.589 -4.073 1.00 0.00 C ATOM 1269 OD1 ASP A 84 9.963 -13.084 -2.951 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.292 -12.825 -4.670 1.00 0.00 O ATOM 0 H ASP A 84 6.453 -10.593 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 84 8.282 -11.103 -2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.340 -12.395 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.574 -11.267 -5.655 1.00 0.00 H new ATOM 1275 N GLY A 85 9.016 -8.330 -3.147 1.00 0.00 N ATOM 1276 CA GLY A 85 9.820 -7.197 -2.679 1.00 0.00 C ATOM 1277 C GLY A 85 10.412 -6.320 -3.791 1.00 0.00 C ATOM 1278 O GLY A 85 11.398 -5.617 -3.557 1.00 0.00 O ATOM 0 H GLY A 85 8.020 -8.120 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.201 -6.573 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.635 -7.578 -2.065 1.00 0.00 H new ATOM 1282 N GLU A 86 9.834 -6.347 -4.995 1.00 0.00 N ATOM 1283 CA GLU A 86 10.283 -5.590 -6.177 1.00 0.00 C ATOM 1284 C GLU A 86 9.079 -5.101 -6.994 1.00 0.00 C ATOM 1285 O GLU A 86 8.070 -5.795 -7.097 1.00 0.00 O ATOM 1286 CB GLU A 86 11.170 -6.458 -7.089 1.00 0.00 C ATOM 1287 CG GLU A 86 12.523 -6.821 -6.474 1.00 0.00 C ATOM 1288 CD GLU A 86 13.429 -7.526 -7.500 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.369 -8.773 -7.630 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.224 -6.838 -8.183 1.00 0.00 O ATOM 0 H GLU A 86 9.009 -6.917 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 86 10.859 -4.738 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.635 -7.376 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.338 -5.928 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.014 -5.918 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.371 -7.470 -5.612 1.00 0.00 H new ATOM 1297 N GLU A 87 9.174 -3.902 -7.572 1.00 0.00 N ATOM 1298 CA GLU A 87 8.070 -3.235 -8.281 1.00 0.00 C ATOM 1299 C GLU A 87 7.419 -4.117 -9.364 1.00 0.00 C ATOM 1300 O GLU A 87 8.017 -4.383 -10.413 1.00 0.00 O ATOM 1301 CB GLU A 87 8.589 -1.912 -8.883 1.00 0.00 C ATOM 1302 CG GLU A 87 7.499 -1.114 -9.616 1.00 0.00 C ATOM 1303 CD GLU A 87 8.054 0.199 -10.213 1.00 0.00 C ATOM 1304 OE1 GLU A 87 9.022 0.157 -11.013 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.486 1.279 -9.924 1.00 0.00 O ATOM 0 H GLU A 87 10.034 -3.354 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 87 7.282 -3.035 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.007 -1.297 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.401 -2.130 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.075 -1.725 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.689 -0.885 -8.924 1.00 0.00 H new ATOM 1312 N ALA A 88 6.171 -4.539 -9.124 1.00 0.00 N ATOM 1313 CA ALA A 88 5.337 -5.172 -10.147 1.00 0.00 C ATOM 1314 C ALA A 88 4.758 -4.089 -11.076 1.00 0.00 C ATOM 1315 O ALA A 88 4.764 -4.244 -12.303 1.00 0.00 O ATOM 1316 CB ALA A 88 4.231 -5.976 -9.461 1.00 0.00 C ATOM 0 H ALA A 88 5.714 -4.450 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 88 5.929 -5.855 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.605 -6.451 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.678 -6.741 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.621 -5.309 -8.851 1.00 0.00 H new ATOM 1322 N GLY A 89 4.319 -2.965 -10.486 1.00 0.00 N ATOM 1323 CA GLY A 89 3.965 -1.743 -11.221 1.00 0.00 C ATOM 1324 C GLY A 89 3.002 -0.828 -10.478 1.00 0.00 C ATOM 1325 O GLY A 89 3.397 0.209 -9.933 1.00 0.00 O ATOM 0 H GLY A 89 4.199 -2.880 -9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.877 -1.189 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.520 -2.022 -12.176 1.00 0.00 H new ATOM 1329 N ALA A 90 1.731 -1.228 -10.436 1.00 0.00 N ATOM 1330 CA ALA A 90 0.622 -0.468 -9.865 1.00 0.00 C ATOM 1331 C ALA A 90 -0.512 -1.395 -9.384 1.00 0.00 C ATOM 1332 O ALA A 90 -0.683 -2.507 -9.888 1.00 0.00 O ATOM 1333 CB ALA A 90 0.108 0.513 -10.927 1.00 0.00 C ATOM 0 H ALA A 90 1.435 -2.128 -10.815 1.00 0.00 H new ATOM 0 HA ALA A 90 0.975 0.079 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.721 1.090 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.912 1.189 -11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.232 -0.042 -11.801 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.297 -0.913 -8.415 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.502 -1.576 -7.911 1.00 0.00 C ATOM 1341 C TYR A 91 -3.578 -1.755 -9.002 1.00 0.00 C ATOM 1342 O TYR A 91 -3.642 -0.988 -9.972 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.008 -0.749 -6.726 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.278 -1.242 -6.066 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.343 -2.533 -5.514 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.400 -0.391 -6.006 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.547 -2.988 -4.943 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.595 -0.836 -5.416 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.678 -2.151 -4.909 1.00 0.00 C ATOM 1350 OH TYR A 91 -7.848 -2.619 -4.411 1.00 0.00 O ATOM 0 H TYR A 91 -1.106 -0.027 -7.948 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.264 -2.590 -7.590 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.221 -0.712 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.172 0.274 -7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.473 -3.173 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.341 0.607 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.603 -3.984 -4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.446 -0.175 -5.351 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.441 -1.866 -4.207 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.438 -2.772 -8.845 1.00 0.00 N ATOM 1361 CA ASP A 92 -5.415 -3.199 -9.857 1.00 0.00 C ATOM 1362 C ASP A 92 -6.744 -3.653 -9.218 1.00 0.00 C ATOM 1363 O ASP A 92 -7.146 -4.821 -9.295 1.00 0.00 O ATOM 1364 CB ASP A 92 -4.778 -4.268 -10.766 1.00 0.00 C ATOM 1365 CG ASP A 92 -5.677 -4.660 -11.950 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -6.345 -3.774 -12.543 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -5.700 -5.859 -12.320 1.00 0.00 O ATOM 0 H ASP A 92 -4.474 -3.332 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.680 -2.347 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.827 -3.894 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.558 -5.156 -10.174 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.421 -2.722 -8.541 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.744 -2.917 -7.926 1.00 0.00 C ATOM 1374 C GLY A 93 -9.390 -1.602 -7.461 1.00 0.00 C ATOM 1375 O GLY A 93 -8.807 -0.527 -7.649 1.00 0.00 O ATOM 0 H GLY A 93 -7.055 -1.781 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.403 -3.406 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.647 -3.589 -7.073 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.592 -1.648 -6.854 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.197 -0.486 -6.199 1.00 0.00 C ATOM 1381 C PRO A 94 -10.309 0.010 -5.042 1.00 0.00 C ATOM 1382 O PRO A 94 -9.822 -0.795 -4.244 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.572 -0.944 -5.690 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.828 -2.274 -6.402 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.430 -2.818 -6.689 1.00 0.00 C ATOM 0 HA PRO A 94 -11.300 0.351 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.572 -1.068 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.345 -0.213 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.401 -2.958 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.397 -2.131 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.075 -3.444 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.425 -3.436 -7.587 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.111 1.328 -4.917 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.331 1.950 -3.820 1.00 0.00 C ATOM 1395 C ARG A 95 -10.199 2.207 -2.579 1.00 0.00 C ATOM 1396 O ARG A 95 -10.449 3.342 -2.182 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.492 3.152 -4.321 1.00 0.00 C ATOM 1398 CG ARG A 95 -9.256 4.294 -5.010 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.274 5.378 -5.475 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.976 6.517 -6.083 1.00 0.00 N ATOM 1401 CZ ARG A 95 -8.442 7.522 -6.751 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.156 7.633 -6.944 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.207 8.458 -7.234 1.00 0.00 N ATOM 0 H ARG A 95 -10.489 2.007 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.583 1.237 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.954 3.569 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.743 2.776 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.813 3.907 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.984 4.723 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.684 5.724 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.576 4.953 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.990 6.532 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.522 6.926 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.785 8.427 -7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.217 8.413 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.797 9.236 -7.751 1.00 0.00 H new ATOM 1417 N THR A 96 -10.695 1.115 -1.998 1.00 0.00 N ATOM 1418 CA THR A 96 -11.602 1.051 -0.831 1.00 0.00 C ATOM 1419 C THR A 96 -11.295 -0.208 -0.008 1.00 0.00 C ATOM 1420 O THR A 96 -10.825 -1.188 -0.579 1.00 0.00 O ATOM 1421 CB THR A 96 -13.083 0.984 -1.266 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.311 -0.110 -2.131 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.564 2.237 -1.991 1.00 0.00 C ATOM 0 H THR A 96 -10.464 0.185 -2.346 1.00 0.00 H new ATOM 0 HA THR A 96 -11.442 1.954 -0.243 1.00 0.00 H new ATOM 0 HB THR A 96 -13.640 0.879 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.256 -0.131 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.612 2.118 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.457 3.101 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.968 2.388 -2.891 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.568 -0.225 1.302 1.00 0.00 N ATOM 1432 CA ALA A 97 -11.265 -1.365 2.188 1.00 0.00 C ATOM 1433 C ALA A 97 -11.734 -2.731 1.662 1.00 0.00 C ATOM 1434 O ALA A 97 -11.007 -3.723 1.743 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.899 -1.108 3.564 1.00 0.00 C ATOM 0 H ALA A 97 -12.009 0.557 1.785 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.178 -1.425 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.681 -1.945 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.488 -0.192 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.978 -1.004 3.454 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.941 -2.788 1.096 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.483 -4.010 0.491 1.00 0.00 C ATOM 1443 C ASP A 98 -12.798 -4.364 -0.839 1.00 0.00 C ATOM 1444 O ASP A 98 -12.642 -5.541 -1.170 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.991 -3.836 0.263 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.798 -3.676 1.565 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.487 -4.351 2.579 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.765 -2.874 1.579 1.00 0.00 O ATOM 0 H ASP A 98 -13.572 -1.988 1.043 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.291 -4.832 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.156 -2.962 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.369 -4.699 -0.285 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.343 -3.355 -1.580 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.618 -3.496 -2.838 1.00 0.00 C ATOM 1455 C GLY A 99 -10.204 -4.050 -2.650 1.00 0.00 C ATOM 1456 O GLY A 99 -9.810 -4.946 -3.397 1.00 0.00 O ATOM 0 H GLY A 99 -12.475 -2.381 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.176 -4.156 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.560 -2.525 -3.329 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.469 -3.589 -1.624 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.098 -4.059 -1.349 1.00 0.00 C ATOM 1462 C ILE A 100 -8.104 -5.569 -1.067 1.00 0.00 C ATOM 1463 O ILE A 100 -7.324 -6.333 -1.649 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.422 -3.309 -0.171 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.623 -1.781 -0.089 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.917 -3.610 -0.189 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.383 -0.984 -1.379 1.00 0.00 C ATOM 0 H ILE A 100 -9.804 -2.885 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.511 -3.845 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.932 -3.691 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.643 -1.589 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.957 -1.391 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.432 -3.088 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.759 -4.683 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.490 -3.273 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.557 0.075 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.355 -1.130 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.067 -1.331 -2.154 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.028 -6.008 -0.201 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.246 -7.434 0.095 1.00 0.00 C ATOM 1481 C VAL A 101 -9.718 -8.198 -1.142 1.00 0.00 C ATOM 1482 O VAL A 101 -9.179 -9.257 -1.445 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.240 -7.611 1.262 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.470 -9.083 1.625 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -9.715 -6.915 2.520 1.00 0.00 C ATOM 0 H VAL A 101 -9.648 -5.384 0.316 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.287 -7.855 0.397 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.179 -7.173 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.177 -9.148 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.872 -9.612 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.524 -9.537 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.427 -7.049 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.756 -7.349 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.588 -5.851 2.321 1.00 0.00 H new ATOM 1495 N SER A 102 -10.697 -7.675 -1.886 1.00 0.00 N ATOM 1496 CA SER A 102 -11.197 -8.325 -3.114 1.00 0.00 C ATOM 1497 C SER A 102 -10.095 -8.564 -4.159 1.00 0.00 C ATOM 1498 O SER A 102 -10.004 -9.659 -4.709 1.00 0.00 O ATOM 1499 CB SER A 102 -12.337 -7.510 -3.749 1.00 0.00 C ATOM 1500 OG SER A 102 -13.448 -7.425 -2.882 1.00 0.00 O ATOM 0 H SER A 102 -11.166 -6.797 -1.662 1.00 0.00 H new ATOM 0 HA SER A 102 -11.573 -9.299 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.982 -6.508 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.640 -7.973 -4.688 1.00 0.00 H new ATOM 0 HG SER A 102 -13.205 -6.902 -2.089 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.214 -7.581 -4.387 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.052 -7.699 -5.268 1.00 0.00 C ATOM 1508 C HIS A 103 -7.115 -8.846 -4.854 1.00 0.00 C ATOM 1509 O HIS A 103 -6.580 -9.542 -5.723 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.333 -6.340 -5.295 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.956 -6.389 -5.904 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.629 -6.206 -7.228 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.789 -6.637 -5.238 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.297 -6.352 -7.355 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.737 -6.618 -6.158 1.00 0.00 N ATOM 0 H HIS A 103 -9.294 -6.662 -3.952 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.385 -7.956 -6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.942 -5.629 -5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.255 -5.961 -4.276 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.283 -5.996 -7.982 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.695 -6.818 -4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.754 -6.268 -8.285 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.935 -9.083 -3.548 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.181 -10.227 -3.021 1.00 0.00 C ATOM 1525 C LEU A 104 -6.948 -11.551 -3.201 1.00 0.00 C ATOM 1526 O LEU A 104 -6.387 -12.507 -3.735 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.800 -9.947 -1.551 1.00 0.00 C ATOM 1528 CG LEU A 104 -4.942 -10.996 -0.809 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -5.745 -12.193 -0.297 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -3.768 -11.513 -1.639 1.00 0.00 C ATOM 0 H LEU A 104 -7.314 -8.478 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.261 -10.349 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.266 -8.997 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.723 -9.812 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.554 -10.446 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.077 -12.888 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.510 -11.847 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.221 -12.698 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.207 -12.246 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.144 -11.981 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.114 -10.681 -1.902 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.227 -11.635 -2.810 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.002 -12.894 -2.885 1.00 0.00 C ATOM 1544 C LYS A 105 -9.109 -13.443 -4.316 1.00 0.00 C ATOM 1545 O LYS A 105 -9.067 -14.656 -4.516 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.415 -12.702 -2.305 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.388 -12.428 -0.796 1.00 0.00 C ATOM 1548 CD LYS A 105 -11.774 -12.491 -0.143 1.00 0.00 C ATOM 1549 CE LYS A 105 -12.766 -11.497 -0.765 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.082 -11.538 -0.077 1.00 0.00 N ATOM 0 H LYS A 105 -8.754 -10.846 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.454 -13.624 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.906 -11.873 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.011 -13.594 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.733 -13.154 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.956 -11.443 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.171 -13.502 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.679 -12.285 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.356 -10.489 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.900 -11.728 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.728 -10.855 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.484 -12.494 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.957 -11.293 0.926 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.192 -12.543 -5.304 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.252 -12.827 -6.757 1.00 0.00 C ATOM 1566 C LYS A 106 -8.017 -13.545 -7.332 1.00 0.00 C ATOM 1567 O LYS A 106 -8.105 -14.125 -8.418 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.518 -11.514 -7.524 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.000 -11.104 -7.436 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.227 -9.703 -8.020 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.694 -9.254 -7.932 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.580 -10.002 -8.867 1.00 0.00 N ATOM 0 H LYS A 106 -9.221 -11.542 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.072 -13.532 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.894 -10.719 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.234 -11.637 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.612 -11.828 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.324 -11.123 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.600 -8.987 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.910 -9.693 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.051 -9.391 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.758 -8.188 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.557 -9.660 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.259 -9.852 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.543 -11.017 -8.643 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.886 -13.539 -6.615 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.632 -14.192 -7.008 1.00 0.00 C ATOM 1588 C GLN A 107 -5.162 -15.260 -6.012 1.00 0.00 C ATOM 1589 O GLN A 107 -4.614 -16.284 -6.419 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.557 -13.117 -7.239 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.255 -12.194 -6.050 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.293 -11.068 -6.421 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.110 -11.271 -6.677 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.765 -9.839 -6.448 1.00 0.00 N ATOM 0 H GLN A 107 -6.817 -13.063 -5.715 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.815 -14.734 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.632 -13.615 -7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.866 -12.499 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.186 -11.766 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.828 -12.781 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.747 -9.665 -6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.148 -9.061 -6.681 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.421 -15.054 -4.720 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.167 -16.041 -3.663 1.00 0.00 C ATOM 1605 C ALA A 108 -6.103 -17.278 -3.724 1.00 0.00 C ATOM 1606 O ALA A 108 -5.711 -18.364 -3.297 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.292 -15.334 -2.307 1.00 0.00 C ATOM 0 H ALA A 108 -5.820 -14.183 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.161 -16.435 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.107 -16.049 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.562 -14.527 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.296 -14.923 -2.202 1.00 0.00 H new