USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0768 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.014 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 5 SER OG : rot 21:sc= 0.0876 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -70:sc= 0.207 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 SER OG : rot -24:sc= 0.106 USER MOD Single : A 28 THR OG1 : rot -49:sc= 0.558 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.36) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-3.1!) USER MOD Single : A 50 ASN : amide:sc= 0.544 K(o=0.54,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -0.388 USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.016 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000535 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -70:sc= 0.803 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.867 -5.214 15.914 1.00 0.00 N ATOM 2 CA GLY A 1 8.633 -3.986 15.178 1.00 0.00 C ATOM 3 C GLY A 1 8.770 -2.753 16.048 1.00 0.00 C ATOM 4 O GLY A 1 8.779 -2.849 17.275 1.00 0.00 O ATOM 0 H1 GLY A 1 9.719 -5.682 15.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.001 -4.995 16.922 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.049 -5.847 15.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.339 -3.923 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.633 -4.011 14.744 1.00 0.00 H new ATOM 8 N SER A 2 8.879 -1.591 15.412 1.00 0.00 N ATOM 9 CA SER A 2 9.022 -0.333 16.137 1.00 0.00 C ATOM 10 C SER A 2 8.400 0.819 15.354 1.00 0.00 C ATOM 11 O SER A 2 8.269 0.754 14.132 1.00 0.00 O ATOM 12 CB SER A 2 10.499 -0.041 16.408 1.00 0.00 C ATOM 13 OG SER A 2 11.101 -1.093 17.143 1.00 0.00 O ATOM 0 H SER A 2 8.871 -1.494 14.397 1.00 0.00 H new ATOM 0 HA SER A 2 8.497 -0.429 17.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.025 0.094 15.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.593 0.893 16.962 1.00 0.00 H new ATOM 0 HG SER A 2 12.045 -0.883 17.302 1.00 0.00 H new ATOM 19 N SER A 3 8.017 1.872 16.068 1.00 0.00 N ATOM 20 CA SER A 3 7.404 3.038 15.443 1.00 0.00 C ATOM 21 C SER A 3 7.634 4.290 16.284 1.00 0.00 C ATOM 22 O SER A 3 7.868 4.208 17.489 1.00 0.00 O ATOM 23 CB SER A 3 5.904 2.809 15.247 1.00 0.00 C ATOM 24 OG SER A 3 5.255 4.001 14.838 1.00 0.00 O ATOM 0 H SER A 3 8.120 1.942 17.080 1.00 0.00 H new ATOM 0 HA SER A 3 7.872 3.185 14.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.746 2.031 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.463 2.452 16.178 1.00 0.00 H new ATOM 0 HG SER A 3 4.298 3.828 14.718 1.00 0.00 H new ATOM 30 N GLY A 4 7.565 5.451 15.638 1.00 0.00 N ATOM 31 CA GLY A 4 7.768 6.704 16.341 1.00 0.00 C ATOM 32 C GLY A 4 7.494 7.910 15.466 1.00 0.00 C ATOM 33 O GLY A 4 8.281 8.231 14.575 1.00 0.00 O ATOM 0 H GLY A 4 7.372 5.545 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.116 6.737 17.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.794 6.750 16.707 1.00 0.00 H new ATOM 37 N SER A 5 6.375 8.581 15.717 1.00 0.00 N ATOM 38 CA SER A 5 5.996 9.756 14.942 1.00 0.00 C ATOM 39 C SER A 5 4.825 10.484 15.594 1.00 0.00 C ATOM 40 O SER A 5 3.815 9.872 15.941 1.00 0.00 O ATOM 41 CB SER A 5 5.629 9.353 13.512 1.00 0.00 C ATOM 42 OG SER A 5 4.557 8.426 13.504 1.00 0.00 O ATOM 0 H SER A 5 5.714 8.330 16.452 1.00 0.00 H new ATOM 0 HA SER A 5 6.850 10.433 14.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.352 10.239 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.497 8.914 13.020 1.00 0.00 H new ATOM 0 HG SER A 5 4.062 8.492 14.347 1.00 0.00 H new ATOM 48 N SER A 6 4.968 11.795 15.758 1.00 0.00 N ATOM 49 CA SER A 6 3.925 12.608 16.372 1.00 0.00 C ATOM 50 C SER A 6 3.861 13.989 15.727 1.00 0.00 C ATOM 51 O SER A 6 4.742 14.367 14.956 1.00 0.00 O ATOM 52 CB SER A 6 4.174 12.745 17.875 1.00 0.00 C ATOM 53 OG SER A 6 5.483 13.224 18.133 1.00 0.00 O ATOM 0 H SER A 6 5.797 12.317 15.474 1.00 0.00 H new ATOM 0 HA SER A 6 2.969 12.108 16.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.442 13.427 18.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.035 11.779 18.360 1.00 0.00 H new ATOM 0 HG SER A 6 5.617 13.305 19.100 1.00 0.00 H new ATOM 59 N GLY A 7 2.812 14.738 16.050 1.00 0.00 N ATOM 60 CA GLY A 7 2.651 16.069 15.495 1.00 0.00 C ATOM 61 C GLY A 7 2.248 16.043 14.033 1.00 0.00 C ATOM 62 O GLY A 7 2.958 15.484 13.197 1.00 0.00 O ATOM 0 H GLY A 7 2.070 14.447 16.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.897 16.609 16.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.586 16.619 15.601 1.00 0.00 H new ATOM 66 N SER A 8 1.105 16.647 13.725 1.00 0.00 N ATOM 67 CA SER A 8 0.606 16.686 12.356 1.00 0.00 C ATOM 68 C SER A 8 -0.296 17.897 12.140 1.00 0.00 C ATOM 69 O SER A 8 -0.874 18.429 13.087 1.00 0.00 O ATOM 70 CB SER A 8 -0.161 15.402 12.034 1.00 0.00 C ATOM 71 OG SER A 8 -1.216 15.193 12.956 1.00 0.00 O ATOM 0 H SER A 8 0.507 17.116 14.405 1.00 0.00 H new ATOM 0 HA SER A 8 1.462 16.768 11.686 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.564 15.459 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.521 14.552 12.058 1.00 0.00 H new ATOM 0 HG SER A 8 -1.692 14.367 12.727 1.00 0.00 H new ATOM 77 N GLN A 9 -0.409 18.328 10.888 1.00 0.00 N ATOM 78 CA GLN A 9 -1.239 19.477 10.547 1.00 0.00 C ATOM 79 C GLN A 9 -1.673 19.421 9.086 1.00 0.00 C ATOM 80 O GLN A 9 -0.985 18.844 8.245 1.00 0.00 O ATOM 81 CB GLN A 9 -0.481 20.778 10.817 1.00 0.00 C ATOM 82 CG GLN A 9 -1.319 22.027 10.597 1.00 0.00 C ATOM 83 CD GLN A 9 -0.619 23.289 11.061 1.00 0.00 C ATOM 84 OE1 GLN A 9 0.286 23.792 10.395 1.00 0.00 O ATOM 85 NE2 GLN A 9 -1.035 23.808 12.211 1.00 0.00 N ATOM 0 H GLN A 9 0.064 17.899 10.093 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.131 19.448 11.173 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.118 20.771 11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.395 20.820 10.170 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.558 22.117 9.537 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.265 21.924 11.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.789 23.358 12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.601 24.656 12.574 1.00 0.00 H new ATOM 94 N GLY A 10 -2.820 20.025 8.791 1.00 0.00 N ATOM 95 CA GLY A 10 -3.327 20.032 7.431 1.00 0.00 C ATOM 96 C GLY A 10 -2.656 21.082 6.568 1.00 0.00 C ATOM 97 O GLY A 10 -2.571 22.249 6.952 1.00 0.00 O ATOM 0 H GLY A 10 -3.407 20.510 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.176 19.049 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.402 20.213 7.448 1.00 0.00 H new ATOM 101 N ASP A 11 -2.177 20.667 5.401 1.00 0.00 N ATOM 102 CA ASP A 11 -1.509 21.581 4.481 1.00 0.00 C ATOM 103 C ASP A 11 -1.420 20.976 3.083 1.00 0.00 C ATOM 104 O ASP A 11 -0.677 20.020 2.856 1.00 0.00 O ATOM 105 CB ASP A 11 -0.108 21.920 4.993 1.00 0.00 C ATOM 106 CG ASP A 11 0.728 20.683 5.257 1.00 0.00 C ATOM 107 OD1 ASP A 11 0.280 19.822 6.043 1.00 0.00 O ATOM 108 OD2 ASP A 11 1.829 20.577 4.678 1.00 0.00 O ATOM 0 H ASP A 11 -2.238 19.704 5.069 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.099 22.496 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.400 22.549 4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.191 22.501 5.911 1.00 0.00 H new ATOM 113 N CYS A 12 -2.182 21.537 2.151 1.00 0.00 N ATOM 114 CA CYS A 12 -2.191 21.052 0.776 1.00 0.00 C ATOM 115 C CYS A 12 -0.771 20.920 0.237 1.00 0.00 C ATOM 116 O CYS A 12 -0.175 21.897 -0.218 1.00 0.00 O ATOM 117 CB CYS A 12 -3.002 21.994 -0.114 1.00 0.00 C ATOM 118 SG CYS A 12 -3.205 21.413 -1.814 1.00 0.00 S ATOM 0 H CYS A 12 -2.802 22.329 2.323 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.656 20.066 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.987 22.137 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.515 22.969 -0.131 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.906 22.276 -2.487 1.00 0.00 H new ATOM 124 N SER A 13 -0.233 19.706 0.292 1.00 0.00 N ATOM 125 CA SER A 13 1.121 19.447 -0.186 1.00 0.00 C ATOM 126 C SER A 13 1.222 18.056 -0.804 1.00 0.00 C ATOM 127 O SER A 13 0.581 17.111 -0.343 1.00 0.00 O ATOM 128 CB SER A 13 2.124 19.582 0.961 1.00 0.00 C ATOM 129 OG SER A 13 1.889 18.606 1.961 1.00 0.00 O ATOM 0 H SER A 13 -0.713 18.886 0.663 1.00 0.00 H new ATOM 0 HA SER A 13 1.356 20.184 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.138 19.476 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.051 20.579 1.397 1.00 0.00 H new ATOM 0 HG SER A 13 1.057 18.816 2.434 1.00 0.00 H new ATOM 135 N TYR A 14 2.031 17.938 -1.851 1.00 0.00 N ATOM 136 CA TYR A 14 2.215 16.663 -2.534 1.00 0.00 C ATOM 137 C TYR A 14 2.160 15.502 -1.546 1.00 0.00 C ATOM 138 O TYR A 14 2.498 15.654 -0.373 1.00 0.00 O ATOM 139 CB TYR A 14 3.550 16.649 -3.281 1.00 0.00 C ATOM 140 CG TYR A 14 4.728 17.050 -2.422 1.00 0.00 C ATOM 141 CD1 TYR A 14 5.298 16.153 -1.526 1.00 0.00 C ATOM 142 CD2 TYR A 14 5.273 18.326 -2.507 1.00 0.00 C ATOM 143 CE1 TYR A 14 6.373 16.516 -0.739 1.00 0.00 C ATOM 144 CE2 TYR A 14 6.350 18.696 -1.725 1.00 0.00 C ATOM 145 CZ TYR A 14 6.896 17.788 -0.843 1.00 0.00 C ATOM 146 OH TYR A 14 7.969 18.152 -0.062 1.00 0.00 O ATOM 0 H TYR A 14 2.570 18.709 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 14 1.403 16.544 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.724 15.649 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.487 17.324 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.893 15.155 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.847 19.040 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.802 15.808 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.762 19.691 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 14 8.216 19.080 -0.258 1.00 0.00 H new ATOM 156 N SER A 15 1.732 14.341 -2.031 1.00 0.00 N ATOM 157 CA SER A 15 1.629 13.153 -1.192 1.00 0.00 C ATOM 158 C SER A 15 2.706 12.135 -1.556 1.00 0.00 C ATOM 159 O SER A 15 2.481 11.244 -2.375 1.00 0.00 O ATOM 160 CB SER A 15 0.243 12.520 -1.335 1.00 0.00 C ATOM 161 OG SER A 15 -0.777 13.452 -1.022 1.00 0.00 O ATOM 0 H SER A 15 1.451 14.198 -3.001 1.00 0.00 H new ATOM 0 HA SER A 15 1.777 13.457 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.109 12.157 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.165 11.655 -0.676 1.00 0.00 H new ATOM 0 HG SER A 15 -1.653 13.024 -1.122 1.00 0.00 H new ATOM 167 N ARG A 16 3.876 12.275 -0.942 1.00 0.00 N ATOM 168 CA ARG A 16 4.988 11.369 -1.202 1.00 0.00 C ATOM 169 C ARG A 16 5.324 10.550 0.041 1.00 0.00 C ATOM 170 O ARG A 16 5.354 9.320 -0.002 1.00 0.00 O ATOM 171 CB ARG A 16 6.219 12.157 -1.654 1.00 0.00 C ATOM 172 CG ARG A 16 6.300 12.347 -3.160 1.00 0.00 C ATOM 173 CD ARG A 16 5.465 13.533 -3.617 1.00 0.00 C ATOM 174 NE ARG A 16 5.604 13.781 -5.050 1.00 0.00 N ATOM 175 CZ ARG A 16 6.620 14.449 -5.585 1.00 0.00 C ATOM 176 NH1 ARG A 16 7.580 14.934 -4.810 1.00 0.00 N ATOM 177 NH2 ARG A 16 6.676 14.634 -6.897 1.00 0.00 N ATOM 0 H ARG A 16 4.078 13.007 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 16 4.689 10.685 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.211 13.135 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.116 11.641 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.339 12.497 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.955 11.443 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.417 13.351 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.766 14.423 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 16 4.881 13.422 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.540 14.795 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.359 15.447 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.939 14.263 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.457 15.147 -7.307 1.00 0.00 H new ATOM 191 N THR A 17 5.577 11.241 1.149 1.00 0.00 N ATOM 192 CA THR A 17 5.912 10.578 2.403 1.00 0.00 C ATOM 193 C THR A 17 4.657 10.097 3.123 1.00 0.00 C ATOM 194 O THR A 17 4.690 9.802 4.317 1.00 0.00 O ATOM 195 CB THR A 17 6.700 11.514 3.339 1.00 0.00 C ATOM 196 OG1 THR A 17 7.646 12.279 2.584 1.00 0.00 O ATOM 197 CG2 THR A 17 7.426 10.718 4.414 1.00 0.00 C ATOM 0 H THR A 17 5.556 12.259 1.203 1.00 0.00 H new ATOM 0 HA THR A 17 6.534 9.719 2.151 1.00 0.00 H new ATOM 0 HB THR A 17 5.993 12.188 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.142 12.873 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.976 11.400 5.063 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.701 10.160 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.123 10.024 3.944 1.00 0.00 H new ATOM 205 N ALA A 18 3.553 10.018 2.388 1.00 0.00 N ATOM 206 CA ALA A 18 2.288 9.569 2.956 1.00 0.00 C ATOM 207 C ALA A 18 2.190 8.047 2.944 1.00 0.00 C ATOM 208 O ALA A 18 1.981 7.420 3.983 1.00 0.00 O ATOM 209 CB ALA A 18 1.121 10.181 2.196 1.00 0.00 C ATOM 0 H ALA A 18 3.509 10.259 1.398 1.00 0.00 H new ATOM 0 HA ALA A 18 2.246 9.901 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.183 9.837 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.174 11.268 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.169 9.878 1.150 1.00 0.00 H new ATOM 215 N LEU A 19 2.341 7.459 1.762 1.00 0.00 N ATOM 216 CA LEU A 19 2.268 6.010 1.614 1.00 0.00 C ATOM 217 C LEU A 19 3.032 5.309 2.734 1.00 0.00 C ATOM 218 O LEU A 19 2.673 4.207 3.148 1.00 0.00 O ATOM 219 CB LEU A 19 2.831 5.587 0.256 1.00 0.00 C ATOM 220 CG LEU A 19 2.548 6.533 -0.911 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.949 5.889 -2.229 1.00 0.00 C ATOM 222 CD2 LEU A 19 1.079 6.929 -0.933 1.00 0.00 C ATOM 0 H LEU A 19 2.515 7.963 0.893 1.00 0.00 H new ATOM 0 HA LEU A 19 1.220 5.716 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.911 5.473 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.428 4.605 0.008 1.00 0.00 H new ATOM 0 HG LEU A 19 3.144 7.435 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.740 6.577 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.014 5.658 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.380 4.970 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.896 7.603 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.463 6.037 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.824 7.432 -0.000 1.00 0.00 H new ATOM 234 N TYR A 20 4.083 5.958 3.222 1.00 0.00 N ATOM 235 CA TYR A 20 4.897 5.398 4.294 1.00 0.00 C ATOM 236 C TYR A 20 4.196 5.539 5.641 1.00 0.00 C ATOM 237 O TYR A 20 4.314 4.674 6.509 1.00 0.00 O ATOM 238 CB TYR A 20 6.261 6.089 4.341 1.00 0.00 C ATOM 239 CG TYR A 20 6.983 6.096 3.013 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.657 7.019 2.027 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.992 5.179 2.743 1.00 0.00 C ATOM 242 CE1 TYR A 20 7.314 7.029 0.812 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.655 5.182 1.531 1.00 0.00 C ATOM 244 CZ TYR A 20 8.312 6.108 0.569 1.00 0.00 C ATOM 245 OH TYR A 20 8.969 6.116 -0.640 1.00 0.00 O ATOM 0 H TYR A 20 4.391 6.873 2.892 1.00 0.00 H new ATOM 0 HA TYR A 20 5.041 4.337 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.126 7.117 4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.886 5.591 5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.876 7.741 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.262 4.451 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.048 7.754 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.438 4.463 1.338 1.00 0.00 H new ATOM 0 HH TYR A 20 9.788 5.582 -0.571 1.00 0.00 H new ATOM 255 N ASP A 21 3.464 6.635 5.808 1.00 0.00 N ATOM 256 CA ASP A 21 2.741 6.891 7.048 1.00 0.00 C ATOM 257 C ASP A 21 1.575 5.921 7.207 1.00 0.00 C ATOM 258 O ASP A 21 1.350 5.376 8.288 1.00 0.00 O ATOM 259 CB ASP A 21 2.230 8.332 7.077 1.00 0.00 C ATOM 260 CG ASP A 21 1.840 8.780 8.472 1.00 0.00 C ATOM 261 OD1 ASP A 21 1.203 7.984 9.195 1.00 0.00 O ATOM 262 OD2 ASP A 21 2.173 9.925 8.842 1.00 0.00 O ATOM 0 H ASP A 21 3.356 7.361 5.100 1.00 0.00 H new ATOM 0 HA ASP A 21 3.430 6.742 7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.002 8.996 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.368 8.422 6.415 1.00 0.00 H new ATOM 267 N LEU A 22 0.835 5.710 6.123 1.00 0.00 N ATOM 268 CA LEU A 22 -0.309 4.806 6.142 1.00 0.00 C ATOM 269 C LEU A 22 0.075 3.453 6.732 1.00 0.00 C ATOM 270 O LEU A 22 -0.623 2.919 7.596 1.00 0.00 O ATOM 271 CB LEU A 22 -0.861 4.621 4.728 1.00 0.00 C ATOM 272 CG LEU A 22 -1.779 5.730 4.214 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.969 6.816 3.523 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.827 5.161 3.269 1.00 0.00 C ATOM 0 H LEU A 22 1.007 6.153 5.221 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.081 5.249 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.020 4.526 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.408 3.679 4.694 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.292 6.175 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.639 7.597 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.258 7.245 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.428 6.386 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.471 5.965 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.333 4.689 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.429 4.420 3.796 1.00 0.00 H new ATOM 286 N LEU A 23 1.189 2.904 6.262 1.00 0.00 N ATOM 287 CA LEU A 23 1.669 1.613 6.744 1.00 0.00 C ATOM 288 C LEU A 23 2.443 1.773 8.049 1.00 0.00 C ATOM 289 O LEU A 23 2.085 1.188 9.070 1.00 0.00 O ATOM 290 CB LEU A 23 2.556 0.950 5.689 1.00 0.00 C ATOM 291 CG LEU A 23 1.841 0.047 4.683 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.840 0.848 3.865 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.849 -0.639 3.772 1.00 0.00 C ATOM 0 H LEU A 23 1.777 3.332 5.547 1.00 0.00 H new ATOM 0 HA LEU A 23 0.803 0.978 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.078 1.732 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.316 0.360 6.201 1.00 0.00 H new ATOM 0 HG LEU A 23 1.298 -0.721 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.341 0.189 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.099 1.292 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.361 1.637 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.323 -1.278 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.420 0.114 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.528 -1.245 4.372 1.00 0.00 H new ATOM 305 N GLY A 24 3.506 2.571 8.007 1.00 0.00 N ATOM 306 CA GLY A 24 4.312 2.795 9.192 1.00 0.00 C ATOM 307 C GLY A 24 5.759 2.387 8.995 1.00 0.00 C ATOM 308 O GLY A 24 6.442 2.014 9.949 1.00 0.00 O ATOM 0 H GLY A 24 3.823 3.066 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.269 3.850 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.890 2.234 10.026 1.00 0.00 H new ATOM 312 N VAL A 25 6.227 2.455 7.753 1.00 0.00 N ATOM 313 CA VAL A 25 7.602 2.088 7.433 1.00 0.00 C ATOM 314 C VAL A 25 8.435 3.320 7.095 1.00 0.00 C ATOM 315 O VAL A 25 7.923 4.335 6.623 1.00 0.00 O ATOM 316 CB VAL A 25 7.659 1.103 6.250 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.035 -0.229 6.634 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.967 1.695 5.031 1.00 0.00 C ATOM 0 H VAL A 25 5.675 2.761 6.952 1.00 0.00 H new ATOM 0 HA VAL A 25 8.015 1.605 8.319 1.00 0.00 H new ATOM 0 HB VAL A 25 8.704 0.927 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.084 -0.912 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.579 -0.656 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.993 -0.075 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.017 0.986 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.924 1.902 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.464 2.622 4.745 1.00 0.00 H new ATOM 328 N PRO A 26 9.750 3.230 7.343 1.00 0.00 N ATOM 329 CA PRO A 26 10.683 4.328 7.072 1.00 0.00 C ATOM 330 C PRO A 26 10.880 4.566 5.579 1.00 0.00 C ATOM 331 O PRO A 26 10.588 3.696 4.758 1.00 0.00 O ATOM 332 CB PRO A 26 11.988 3.851 7.715 1.00 0.00 C ATOM 333 CG PRO A 26 11.886 2.365 7.721 1.00 0.00 C ATOM 334 CD PRO A 26 10.427 2.050 7.906 1.00 0.00 C ATOM 0 HA PRO A 26 10.320 5.278 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.855 4.186 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.098 4.244 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.261 1.945 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.483 1.936 8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.144 1.136 7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.177 1.906 8.957 1.00 0.00 H new ATOM 342 N SER A 27 11.379 5.748 5.233 1.00 0.00 N ATOM 343 CA SER A 27 11.613 6.101 3.838 1.00 0.00 C ATOM 344 C SER A 27 12.601 5.136 3.192 1.00 0.00 C ATOM 345 O SER A 27 12.711 5.067 1.967 1.00 0.00 O ATOM 346 CB SER A 27 12.139 7.534 3.734 1.00 0.00 C ATOM 347 OG SER A 27 12.391 7.888 2.385 1.00 0.00 O ATOM 0 H SER A 27 11.629 6.478 5.900 1.00 0.00 H new ATOM 0 HA SER A 27 10.664 6.031 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.413 8.223 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.055 7.632 4.316 1.00 0.00 H new ATOM 0 HG SER A 27 12.553 7.077 1.859 1.00 0.00 H new ATOM 353 N THR A 28 13.320 4.389 4.024 1.00 0.00 N ATOM 354 CA THR A 28 14.300 3.427 3.536 1.00 0.00 C ATOM 355 C THR A 28 14.002 2.026 4.056 1.00 0.00 C ATOM 356 O THR A 28 14.914 1.229 4.279 1.00 0.00 O ATOM 357 CB THR A 28 15.730 3.823 3.950 1.00 0.00 C ATOM 358 OG1 THR A 28 16.684 3.014 3.254 1.00 0.00 O ATOM 359 CG2 THR A 28 15.922 3.664 5.451 1.00 0.00 C ATOM 0 H THR A 28 13.242 4.432 5.040 1.00 0.00 H new ATOM 0 HA THR A 28 14.231 3.430 2.448 1.00 0.00 H new ATOM 0 HB THR A 28 15.883 4.870 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.429 2.071 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.939 3.949 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.214 4.304 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.751 2.625 5.732 1.00 0.00 H new ATOM 367 N ALA A 29 12.721 1.731 4.248 1.00 0.00 N ATOM 368 CA ALA A 29 12.303 0.424 4.740 1.00 0.00 C ATOM 369 C ALA A 29 12.749 -0.687 3.794 1.00 0.00 C ATOM 370 O ALA A 29 13.403 -0.430 2.783 1.00 0.00 O ATOM 371 CB ALA A 29 10.793 0.387 4.925 1.00 0.00 C ATOM 0 H ALA A 29 11.954 2.380 4.070 1.00 0.00 H new ATOM 0 HA ALA A 29 12.780 0.257 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.495 -0.595 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.496 1.149 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.305 0.580 3.970 1.00 0.00 H new ATOM 377 N THR A 30 12.391 -1.922 4.129 1.00 0.00 N ATOM 378 CA THR A 30 12.755 -3.072 3.311 1.00 0.00 C ATOM 379 C THR A 30 11.523 -3.878 2.916 1.00 0.00 C ATOM 380 O THR A 30 10.459 -3.736 3.516 1.00 0.00 O ATOM 381 CB THR A 30 13.744 -3.995 4.049 1.00 0.00 C ATOM 382 OG1 THR A 30 13.160 -4.462 5.270 1.00 0.00 O ATOM 383 CG2 THR A 30 15.045 -3.266 4.348 1.00 0.00 C ATOM 0 H THR A 30 11.849 -2.152 4.962 1.00 0.00 H new ATOM 0 HA THR A 30 13.234 -2.682 2.413 1.00 0.00 H new ATOM 0 HB THR A 30 13.964 -4.846 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.794 -5.049 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.727 -3.938 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.501 -2.938 3.414 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.840 -2.399 4.975 1.00 0.00 H new ATOM 391 N GLN A 31 11.676 -4.724 1.902 1.00 0.00 N ATOM 392 CA GLN A 31 10.574 -5.553 1.427 1.00 0.00 C ATOM 393 C GLN A 31 9.914 -6.296 2.584 1.00 0.00 C ATOM 394 O GLN A 31 8.690 -6.408 2.645 1.00 0.00 O ATOM 395 CB GLN A 31 11.074 -6.552 0.383 1.00 0.00 C ATOM 396 CG GLN A 31 11.531 -5.901 -0.913 1.00 0.00 C ATOM 397 CD GLN A 31 11.412 -6.829 -2.106 1.00 0.00 C ATOM 398 OE1 GLN A 31 12.414 -7.328 -2.621 1.00 0.00 O ATOM 399 NE2 GLN A 31 10.185 -7.065 -2.553 1.00 0.00 N ATOM 0 H GLN A 31 12.551 -4.853 1.394 1.00 0.00 H new ATOM 0 HA GLN A 31 9.832 -4.900 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.902 -7.122 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.278 -7.263 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.937 -5.005 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.568 -5.581 -0.808 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.383 -6.630 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.044 -7.681 -3.354 1.00 0.00 H new ATOM 408 N ALA A 32 10.733 -6.803 3.500 1.00 0.00 N ATOM 409 CA ALA A 32 10.228 -7.534 4.655 1.00 0.00 C ATOM 410 C ALA A 32 9.258 -6.680 5.464 1.00 0.00 C ATOM 411 O ALA A 32 8.217 -7.161 5.910 1.00 0.00 O ATOM 412 CB ALA A 32 11.382 -7.999 5.531 1.00 0.00 C ATOM 0 H ALA A 32 11.749 -6.721 3.464 1.00 0.00 H new ATOM 0 HA ALA A 32 9.686 -8.408 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.990 -8.544 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.036 -8.653 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.948 -7.134 5.877 1.00 0.00 H new ATOM 418 N GLN A 33 9.608 -5.411 5.650 1.00 0.00 N ATOM 419 CA GLN A 33 8.767 -4.491 6.407 1.00 0.00 C ATOM 420 C GLN A 33 7.584 -4.019 5.569 1.00 0.00 C ATOM 421 O GLN A 33 6.431 -4.319 5.881 1.00 0.00 O ATOM 422 CB GLN A 33 9.587 -3.288 6.877 1.00 0.00 C ATOM 423 CG GLN A 33 10.698 -3.651 7.849 1.00 0.00 C ATOM 424 CD GLN A 33 11.426 -2.433 8.384 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.192 -2.002 9.514 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.315 -1.871 7.574 1.00 0.00 N ATOM 0 H GLN A 33 10.467 -4.997 5.287 1.00 0.00 H new ATOM 0 HA GLN A 33 8.382 -5.023 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.023 -2.794 6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.921 -2.568 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.277 -4.213 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.412 -4.307 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.477 -2.261 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.836 -1.049 7.880 1.00 0.00 H new ATOM 435 N ILE A 34 7.877 -3.279 4.505 1.00 0.00 N ATOM 436 CA ILE A 34 6.837 -2.767 3.622 1.00 0.00 C ATOM 437 C ILE A 34 5.718 -3.787 3.439 1.00 0.00 C ATOM 438 O ILE A 34 4.540 -3.433 3.402 1.00 0.00 O ATOM 439 CB ILE A 34 7.405 -2.392 2.240 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.417 -1.252 2.372 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.281 -2.002 1.293 1.00 0.00 C ATOM 442 CD1 ILE A 34 9.187 -0.977 1.100 1.00 0.00 C ATOM 0 H ILE A 34 8.826 -3.021 4.234 1.00 0.00 H new ATOM 0 HA ILE A 34 6.435 -1.872 4.096 1.00 0.00 H new ATOM 0 HB ILE A 34 7.917 -3.261 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.893 -0.345 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.121 -1.493 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.699 -1.740 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.594 -2.841 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.743 -1.146 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.885 -0.157 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.739 -1.870 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.492 -0.705 0.306 1.00 0.00 H new ATOM 454 N LYS A 35 6.095 -5.056 3.328 1.00 0.00 N ATOM 455 CA LYS A 35 5.125 -6.130 3.153 1.00 0.00 C ATOM 456 C LYS A 35 4.410 -6.437 4.465 1.00 0.00 C ATOM 457 O LYS A 35 3.182 -6.427 4.530 1.00 0.00 O ATOM 458 CB LYS A 35 5.818 -7.391 2.631 1.00 0.00 C ATOM 459 CG LYS A 35 4.923 -8.265 1.771 1.00 0.00 C ATOM 460 CD LYS A 35 5.306 -9.732 1.877 1.00 0.00 C ATOM 461 CE LYS A 35 4.554 -10.424 3.004 1.00 0.00 C ATOM 462 NZ LYS A 35 4.779 -11.896 2.998 1.00 0.00 N ATOM 0 H LYS A 35 7.066 -5.366 3.356 1.00 0.00 H new ATOM 0 HA LYS A 35 4.384 -5.801 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.694 -7.100 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.177 -7.975 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.885 -8.136 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.991 -7.945 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.092 -10.234 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.379 -9.818 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.874 -10.012 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.488 -10.219 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.250 -12.331 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.451 -12.294 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.794 -12.093 3.114 1.00 0.00 H new ATOM 476 N ALA A 36 5.188 -6.708 5.508 1.00 0.00 N ATOM 477 CA ALA A 36 4.629 -7.014 6.819 1.00 0.00 C ATOM 478 C ALA A 36 3.604 -5.965 7.237 1.00 0.00 C ATOM 479 O ALA A 36 2.597 -6.285 7.868 1.00 0.00 O ATOM 480 CB ALA A 36 5.738 -7.114 7.856 1.00 0.00 C ATOM 0 H ALA A 36 6.207 -6.722 5.470 1.00 0.00 H new ATOM 0 HA ALA A 36 4.120 -7.976 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.306 -7.343 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.432 -7.905 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.272 -6.165 7.910 1.00 0.00 H new ATOM 486 N ALA A 37 3.867 -4.712 6.881 1.00 0.00 N ATOM 487 CA ALA A 37 2.967 -3.617 7.218 1.00 0.00 C ATOM 488 C ALA A 37 1.612 -3.792 6.541 1.00 0.00 C ATOM 489 O ALA A 37 0.586 -3.924 7.209 1.00 0.00 O ATOM 490 CB ALA A 37 3.587 -2.284 6.825 1.00 0.00 C ATOM 0 H ALA A 37 4.697 -4.430 6.359 1.00 0.00 H new ATOM 0 HA ALA A 37 2.809 -3.628 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.904 -1.475 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.527 -2.149 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.775 -2.272 5.751 1.00 0.00 H new ATOM 496 N TYR A 38 1.615 -3.792 5.213 1.00 0.00 N ATOM 497 CA TYR A 38 0.385 -3.948 4.446 1.00 0.00 C ATOM 498 C TYR A 38 -0.471 -5.077 5.012 1.00 0.00 C ATOM 499 O TYR A 38 -1.700 -5.026 4.960 1.00 0.00 O ATOM 500 CB TYR A 38 0.707 -4.225 2.976 1.00 0.00 C ATOM 501 CG TYR A 38 -0.498 -4.632 2.158 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.425 -3.688 1.734 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.710 -5.960 1.811 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.528 -4.055 0.987 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.809 -6.336 1.063 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.715 -5.380 0.654 1.00 0.00 C ATOM 507 OH TYR A 38 -3.812 -5.751 -0.090 1.00 0.00 O ATOM 0 H TYR A 38 2.456 -3.686 4.645 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.178 -3.018 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.150 -3.332 2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.457 -5.014 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.281 -2.649 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.004 -6.712 2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.239 -3.309 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.958 -7.373 0.800 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.794 -6.720 -0.238 1.00 0.00 H new ATOM 517 N TYR A 39 0.188 -6.096 5.552 1.00 0.00 N ATOM 518 CA TYR A 39 -0.510 -7.240 6.127 1.00 0.00 C ATOM 519 C TYR A 39 -1.196 -6.858 7.435 1.00 0.00 C ATOM 520 O TYR A 39 -2.422 -6.787 7.509 1.00 0.00 O ATOM 521 CB TYR A 39 0.466 -8.392 6.366 1.00 0.00 C ATOM 522 CG TYR A 39 0.632 -9.304 5.172 1.00 0.00 C ATOM 523 CD1 TYR A 39 0.966 -8.793 3.924 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.456 -10.677 5.291 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.118 -9.622 2.829 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.607 -11.514 4.203 1.00 0.00 C ATOM 527 CZ TYR A 39 0.937 -10.982 2.974 1.00 0.00 C ATOM 528 OH TYR A 39 1.089 -11.811 1.886 1.00 0.00 O ATOM 0 H TYR A 39 1.205 -6.153 5.604 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.273 -7.562 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.439 -7.982 6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.120 -8.980 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.109 -7.729 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.196 -11.097 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.377 -9.208 1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.467 -12.579 4.314 1.00 0.00 H new ATOM 0 HH TYR A 39 0.928 -12.739 2.157 1.00 0.00 H new ATOM 538 N ARG A 40 -0.393 -6.613 8.466 1.00 0.00 N ATOM 539 CA ARG A 40 -0.921 -6.239 9.773 1.00 0.00 C ATOM 540 C ARG A 40 -2.037 -5.207 9.634 1.00 0.00 C ATOM 541 O ARG A 40 -2.975 -5.184 10.429 1.00 0.00 O ATOM 542 CB ARG A 40 0.196 -5.681 10.657 1.00 0.00 C ATOM 543 CG ARG A 40 0.746 -4.349 10.176 1.00 0.00 C ATOM 544 CD ARG A 40 1.620 -3.692 11.233 1.00 0.00 C ATOM 545 NE ARG A 40 2.968 -4.255 11.255 1.00 0.00 N ATOM 546 CZ ARG A 40 4.000 -3.666 11.848 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.840 -2.503 12.464 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.196 -4.241 11.826 1.00 0.00 N ATOM 0 H ARG A 40 0.625 -6.667 8.421 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.333 -7.134 10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.181 -5.563 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.009 -6.406 10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.326 -4.501 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.079 -3.684 9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.678 -2.621 11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.159 -3.816 12.213 1.00 0.00 H new ATOM 0 HE ARG A 40 3.125 -5.149 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.922 -2.058 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.635 -2.053 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.323 -5.136 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.988 -3.788 12.282 1.00 0.00 H new ATOM 562 N GLN A 41 -1.926 -4.357 8.618 1.00 0.00 N ATOM 563 CA GLN A 41 -2.926 -3.323 8.376 1.00 0.00 C ATOM 564 C GLN A 41 -4.316 -3.933 8.230 1.00 0.00 C ATOM 565 O GLN A 41 -5.274 -3.475 8.855 1.00 0.00 O ATOM 566 CB GLN A 41 -2.571 -2.526 7.120 1.00 0.00 C ATOM 567 CG GLN A 41 -1.485 -1.487 7.345 1.00 0.00 C ATOM 568 CD GLN A 41 -1.819 -0.528 8.470 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.896 0.069 8.494 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.895 -0.375 9.412 1.00 0.00 N ATOM 0 H GLN A 41 -1.155 -4.364 7.950 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.933 -2.651 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.246 -3.216 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.467 -2.028 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.546 -1.992 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.331 -0.923 6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.016 -0.890 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.064 0.257 10.195 1.00 0.00 H new ATOM 579 N CYS A 42 -4.419 -4.967 7.403 1.00 0.00 N ATOM 580 CA CYS A 42 -5.693 -5.639 7.175 1.00 0.00 C ATOM 581 C CYS A 42 -6.318 -6.083 8.493 1.00 0.00 C ATOM 582 O CYS A 42 -7.520 -5.925 8.708 1.00 0.00 O ATOM 583 CB CYS A 42 -5.499 -6.847 6.256 1.00 0.00 C ATOM 584 SG CYS A 42 -6.990 -7.841 6.019 1.00 0.00 S ATOM 0 H CYS A 42 -3.636 -5.358 6.879 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.368 -4.931 6.695 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.150 -6.498 5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.714 -7.481 6.668 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.726 -8.837 5.226 1.00 0.00 H new ATOM 590 N PHE A 43 -5.494 -6.642 9.374 1.00 0.00 N ATOM 591 CA PHE A 43 -5.966 -7.113 10.671 1.00 0.00 C ATOM 592 C PHE A 43 -6.635 -5.983 11.448 1.00 0.00 C ATOM 593 O PHE A 43 -7.792 -6.094 11.855 1.00 0.00 O ATOM 594 CB PHE A 43 -4.803 -7.686 11.483 1.00 0.00 C ATOM 595 CG PHE A 43 -5.139 -7.921 12.928 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.178 -6.865 13.824 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.415 -9.197 13.391 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.488 -7.077 15.155 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.726 -9.415 14.720 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.761 -8.354 15.603 1.00 0.00 C ATOM 0 H PHE A 43 -4.496 -6.780 9.213 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.702 -7.899 10.499 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.486 -8.627 11.034 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.956 -7.003 11.422 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.964 -5.864 13.479 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.387 -10.031 12.706 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.516 -6.245 15.843 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.941 -10.415 15.068 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.002 -8.523 16.642 1.00 0.00 H new ATOM 610 N LEU A 44 -5.899 -4.896 11.652 1.00 0.00 N ATOM 611 CA LEU A 44 -6.420 -3.744 12.381 1.00 0.00 C ATOM 612 C LEU A 44 -7.882 -3.493 12.029 1.00 0.00 C ATOM 613 O LEU A 44 -8.719 -3.300 12.911 1.00 0.00 O ATOM 614 CB LEU A 44 -5.587 -2.500 12.069 1.00 0.00 C ATOM 615 CG LEU A 44 -4.362 -2.272 12.956 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.354 -1.376 12.254 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.775 -1.670 14.291 1.00 0.00 C ATOM 0 H LEU A 44 -4.940 -4.788 11.323 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.355 -3.959 13.447 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.254 -2.561 11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.234 -1.626 12.145 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.890 -3.236 13.145 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.489 -1.225 12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.034 -1.847 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.815 -0.413 12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.891 -1.515 14.909 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.272 -0.715 14.121 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.459 -2.349 14.800 1.00 0.00 H new ATOM 629 N TYR A 45 -8.184 -3.499 10.735 1.00 0.00 N ATOM 630 CA TYR A 45 -9.545 -3.272 10.266 1.00 0.00 C ATOM 631 C TYR A 45 -10.175 -4.570 9.771 1.00 0.00 C ATOM 632 O TYR A 45 -10.087 -4.905 8.589 1.00 0.00 O ATOM 633 CB TYR A 45 -9.554 -2.228 9.148 1.00 0.00 C ATOM 634 CG TYR A 45 -8.936 -0.907 9.547 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.572 -0.799 9.782 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.718 0.233 9.688 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.003 0.406 10.148 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.158 1.442 10.052 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.801 1.524 10.282 1.00 0.00 C ATOM 640 OH TYR A 45 -7.238 2.726 10.644 1.00 0.00 O ATOM 0 H TYR A 45 -7.504 -3.659 9.992 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.134 -2.901 11.105 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.017 -2.625 8.287 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.583 -2.057 8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.945 -1.672 9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.782 0.173 9.510 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.940 0.472 10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.780 2.319 10.156 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.936 3.412 10.693 1.00 0.00 H new ATOM 650 N HIS A 46 -10.812 -5.297 10.684 1.00 0.00 N ATOM 651 CA HIS A 46 -11.458 -6.559 10.341 1.00 0.00 C ATOM 652 C HIS A 46 -12.692 -6.319 9.476 1.00 0.00 C ATOM 653 O HIS A 46 -13.454 -5.376 9.687 1.00 0.00 O ATOM 654 CB HIS A 46 -11.849 -7.317 11.610 1.00 0.00 C ATOM 655 CG HIS A 46 -11.836 -8.806 11.445 1.00 0.00 C ATOM 656 ND1 HIS A 46 -12.944 -9.597 11.667 1.00 0.00 N ATOM 657 CD2 HIS A 46 -10.842 -9.648 11.078 1.00 0.00 C ATOM 658 CE1 HIS A 46 -12.631 -10.861 11.444 1.00 0.00 C ATOM 659 NE2 HIS A 46 -11.361 -10.919 11.085 1.00 0.00 N ATOM 0 H HIS A 46 -10.895 -5.034 11.666 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.749 -7.160 9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.165 -7.042 12.413 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.846 -7.002 11.919 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.829 -9.371 10.826 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -13.300 -11.704 11.539 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.849 -11.770 10.851 1.00 0.00 H new ATOM 667 N PRO A 47 -12.896 -7.193 8.479 1.00 0.00 N ATOM 668 CA PRO A 47 -14.036 -7.097 7.563 1.00 0.00 C ATOM 669 C PRO A 47 -15.359 -7.422 8.248 1.00 0.00 C ATOM 670 O PRO A 47 -16.351 -6.715 8.069 1.00 0.00 O ATOM 671 CB PRO A 47 -13.718 -8.143 6.491 1.00 0.00 C ATOM 672 CG PRO A 47 -12.834 -9.129 7.174 1.00 0.00 C ATOM 673 CD PRO A 47 -12.028 -8.342 8.170 1.00 0.00 C ATOM 0 HA PRO A 47 -14.160 -6.088 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.626 -8.617 6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.219 -7.692 5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.421 -9.901 7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.185 -9.633 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.806 -8.929 9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.073 -8.023 7.752 1.00 0.00 H new ATOM 681 N ASP A 48 -15.366 -8.494 9.032 1.00 0.00 N ATOM 682 CA ASP A 48 -16.568 -8.911 9.746 1.00 0.00 C ATOM 683 C ASP A 48 -17.036 -7.820 10.704 1.00 0.00 C ATOM 684 O ASP A 48 -18.207 -7.439 10.702 1.00 0.00 O ATOM 685 CB ASP A 48 -16.306 -10.206 10.516 1.00 0.00 C ATOM 686 CG ASP A 48 -17.585 -10.866 10.992 1.00 0.00 C ATOM 687 OD1 ASP A 48 -18.073 -10.497 12.080 1.00 0.00 O ATOM 688 OD2 ASP A 48 -18.098 -11.751 10.276 1.00 0.00 O ATOM 0 H ASP A 48 -14.554 -9.090 9.190 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.355 -9.087 9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.758 -10.900 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.670 -9.992 11.375 1.00 0.00 H new ATOM 693 N ARG A 49 -16.116 -7.324 11.524 1.00 0.00 N ATOM 694 CA ARG A 49 -16.435 -6.279 12.489 1.00 0.00 C ATOM 695 C ARG A 49 -17.132 -5.105 11.809 1.00 0.00 C ATOM 696 O ARG A 49 -18.195 -4.665 12.244 1.00 0.00 O ATOM 697 CB ARG A 49 -15.164 -5.796 13.189 1.00 0.00 C ATOM 698 CG ARG A 49 -14.415 -6.897 13.922 1.00 0.00 C ATOM 699 CD ARG A 49 -15.087 -7.245 15.241 1.00 0.00 C ATOM 700 NE ARG A 49 -14.151 -7.837 16.193 1.00 0.00 N ATOM 701 CZ ARG A 49 -14.471 -8.143 17.445 1.00 0.00 C ATOM 702 NH1 ARG A 49 -15.698 -7.916 17.893 1.00 0.00 N ATOM 703 NH2 ARG A 49 -13.564 -8.679 18.251 1.00 0.00 N ATOM 0 H ARG A 49 -15.143 -7.629 11.539 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.113 -6.700 13.232 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.501 -5.347 12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.426 -5.012 13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.364 -7.785 13.293 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.389 -6.579 14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.524 -6.345 15.674 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.906 -7.940 15.058 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.199 -8.026 15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.399 -7.506 17.276 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.941 -8.152 18.855 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.619 -8.857 17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.811 -8.914 19.212 1.00 0.00 H new ATOM 717 N ASN A 50 -16.525 -4.602 10.739 1.00 0.00 N ATOM 718 CA ASN A 50 -17.087 -3.478 9.999 1.00 0.00 C ATOM 719 C ASN A 50 -17.667 -3.940 8.666 1.00 0.00 C ATOM 720 O ASN A 50 -16.943 -4.095 7.682 1.00 0.00 O ATOM 721 CB ASN A 50 -16.016 -2.412 9.760 1.00 0.00 C ATOM 722 CG ASN A 50 -15.107 -2.226 10.959 1.00 0.00 C ATOM 723 OD1 ASN A 50 -15.446 -1.515 11.905 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.944 -2.867 10.925 1.00 0.00 N ATOM 0 H ASN A 50 -15.644 -4.955 10.365 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.892 -3.048 10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.417 -2.691 8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.498 -1.464 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.291 -2.780 11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.704 -3.446 10.120 1.00 0.00 H new ATOM 731 N SER A 51 -18.978 -4.158 8.641 1.00 0.00 N ATOM 732 CA SER A 51 -19.656 -4.605 7.430 1.00 0.00 C ATOM 733 C SER A 51 -19.983 -3.423 6.522 1.00 0.00 C ATOM 734 O SER A 51 -21.107 -2.923 6.515 1.00 0.00 O ATOM 735 CB SER A 51 -20.938 -5.359 7.786 1.00 0.00 C ATOM 736 OG SER A 51 -21.622 -5.782 6.620 1.00 0.00 O ATOM 0 H SER A 51 -19.592 -4.032 9.446 1.00 0.00 H new ATOM 0 HA SER A 51 -18.985 -5.277 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 51 -20.695 -6.224 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.588 -4.717 8.380 1.00 0.00 H new ATOM 0 HG SER A 51 -22.437 -6.263 6.875 1.00 0.00 H new ATOM 742 N GLY A 52 -18.990 -2.980 5.756 1.00 0.00 N ATOM 743 CA GLY A 52 -19.191 -1.861 4.855 1.00 0.00 C ATOM 744 C GLY A 52 -19.292 -0.538 5.588 1.00 0.00 C ATOM 745 O GLY A 52 -20.265 0.199 5.422 1.00 0.00 O ATOM 0 H GLY A 52 -18.050 -3.377 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.365 -1.817 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -20.101 -2.023 4.277 1.00 0.00 H new ATOM 749 N SER A 53 -18.286 -0.235 6.402 1.00 0.00 N ATOM 750 CA SER A 53 -18.269 1.006 7.168 1.00 0.00 C ATOM 751 C SER A 53 -17.834 2.178 6.293 1.00 0.00 C ATOM 752 O SER A 53 -17.090 2.004 5.328 1.00 0.00 O ATOM 753 CB SER A 53 -17.330 0.876 8.369 1.00 0.00 C ATOM 754 OG SER A 53 -18.011 0.345 9.493 1.00 0.00 O ATOM 0 H SER A 53 -17.472 -0.832 6.548 1.00 0.00 H new ATOM 0 HA SER A 53 -19.281 1.197 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.490 0.231 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.916 1.853 8.619 1.00 0.00 H new ATOM 0 HG SER A 53 -17.440 0.418 10.286 1.00 0.00 H new ATOM 760 N ALA A 54 -18.304 3.372 6.638 1.00 0.00 N ATOM 761 CA ALA A 54 -17.964 4.574 5.887 1.00 0.00 C ATOM 762 C ALA A 54 -16.588 5.098 6.285 1.00 0.00 C ATOM 763 O ALA A 54 -15.803 5.513 5.433 1.00 0.00 O ATOM 764 CB ALA A 54 -19.022 5.646 6.098 1.00 0.00 C ATOM 0 H ALA A 54 -18.922 3.533 7.434 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.933 4.315 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.755 6.538 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.989 5.275 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.082 5.894 7.158 1.00 0.00 H new ATOM 770 N GLU A 55 -16.305 5.078 7.583 1.00 0.00 N ATOM 771 CA GLU A 55 -15.025 5.553 8.093 1.00 0.00 C ATOM 772 C GLU A 55 -13.896 4.603 7.703 1.00 0.00 C ATOM 773 O GLU A 55 -12.829 5.035 7.267 1.00 0.00 O ATOM 774 CB GLU A 55 -15.079 5.700 9.615 1.00 0.00 C ATOM 775 CG GLU A 55 -15.922 6.874 10.084 1.00 0.00 C ATOM 776 CD GLU A 55 -15.748 7.164 11.562 1.00 0.00 C ATOM 777 OE1 GLU A 55 -14.593 7.161 12.036 1.00 0.00 O ATOM 778 OE2 GLU A 55 -16.768 7.393 12.245 1.00 0.00 O ATOM 0 H GLU A 55 -16.945 4.738 8.301 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.826 6.528 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.478 4.782 10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.065 5.817 9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.654 7.761 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.972 6.667 9.879 1.00 0.00 H new ATOM 785 N ALA A 56 -14.141 3.306 7.862 1.00 0.00 N ATOM 786 CA ALA A 56 -13.148 2.294 7.525 1.00 0.00 C ATOM 787 C ALA A 56 -13.215 1.930 6.046 1.00 0.00 C ATOM 788 O ALA A 56 -12.701 0.892 5.629 1.00 0.00 O ATOM 789 CB ALA A 56 -13.344 1.055 8.386 1.00 0.00 C ATOM 0 H ALA A 56 -15.019 2.932 8.222 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.160 2.709 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.595 0.307 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.237 1.322 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.340 0.647 8.215 1.00 0.00 H new ATOM 795 N ALA A 57 -13.852 2.790 5.258 1.00 0.00 N ATOM 796 CA ALA A 57 -13.985 2.558 3.825 1.00 0.00 C ATOM 797 C ALA A 57 -12.899 3.294 3.047 1.00 0.00 C ATOM 798 O ALA A 57 -12.070 2.673 2.383 1.00 0.00 O ATOM 799 CB ALA A 57 -15.363 2.989 3.347 1.00 0.00 C ATOM 0 H ALA A 57 -14.284 3.653 5.588 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.866 1.490 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.449 2.810 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.126 2.415 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.503 4.051 3.550 1.00 0.00 H new ATOM 805 N GLU A 58 -12.911 4.621 3.134 1.00 0.00 N ATOM 806 CA GLU A 58 -11.927 5.440 2.436 1.00 0.00 C ATOM 807 C GLU A 58 -10.508 4.978 2.756 1.00 0.00 C ATOM 808 O GLU A 58 -9.700 4.751 1.856 1.00 0.00 O ATOM 809 CB GLU A 58 -12.094 6.913 2.819 1.00 0.00 C ATOM 810 CG GLU A 58 -11.993 7.169 4.313 1.00 0.00 C ATOM 811 CD GLU A 58 -12.578 8.508 4.716 1.00 0.00 C ATOM 812 OE1 GLU A 58 -12.245 9.521 4.066 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.369 8.543 5.682 1.00 0.00 O ATOM 0 H GLU A 58 -13.590 5.151 3.680 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.093 5.328 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.333 7.501 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.063 7.265 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.511 6.374 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.946 7.128 4.615 1.00 0.00 H new ATOM 820 N ARG A 59 -10.213 4.841 4.045 1.00 0.00 N ATOM 821 CA ARG A 59 -8.892 4.408 4.484 1.00 0.00 C ATOM 822 C ARG A 59 -8.496 3.099 3.807 1.00 0.00 C ATOM 823 O ARG A 59 -7.461 3.020 3.145 1.00 0.00 O ATOM 824 CB ARG A 59 -8.869 4.235 6.004 1.00 0.00 C ATOM 825 CG ARG A 59 -7.512 3.817 6.548 1.00 0.00 C ATOM 826 CD ARG A 59 -6.591 5.014 6.726 1.00 0.00 C ATOM 827 NE ARG A 59 -7.135 5.990 7.666 1.00 0.00 N ATOM 828 CZ ARG A 59 -6.430 6.996 8.171 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.160 7.158 7.828 1.00 0.00 N ATOM 830 NH2 ARG A 59 -6.996 7.842 9.022 1.00 0.00 N ATOM 0 H ARG A 59 -10.871 5.024 4.803 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.172 5.176 4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.166 5.173 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.611 3.488 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.642 3.311 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.051 3.100 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.618 4.673 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.429 5.493 5.760 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.110 5.894 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.721 6.509 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.621 7.932 8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.973 7.720 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.454 8.614 9.410 1.00 0.00 H new ATOM 844 N PHE A 60 -9.326 2.076 3.976 1.00 0.00 N ATOM 845 CA PHE A 60 -9.062 0.771 3.382 1.00 0.00 C ATOM 846 C PHE A 60 -8.582 0.916 1.941 1.00 0.00 C ATOM 847 O PHE A 60 -7.635 0.251 1.520 1.00 0.00 O ATOM 848 CB PHE A 60 -10.321 -0.098 3.427 1.00 0.00 C ATOM 849 CG PHE A 60 -10.032 -1.572 3.436 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.254 -2.133 4.436 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.539 -2.397 2.444 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.986 -3.489 4.447 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.275 -3.753 2.451 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.497 -4.300 3.452 1.00 0.00 C ATOM 0 H PHE A 60 -10.188 2.125 4.520 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.275 0.289 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.897 0.157 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.946 0.136 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.852 -1.503 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.147 -1.975 1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.378 -3.914 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.677 -4.385 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.288 -5.360 3.457 1.00 0.00 H new ATOM 864 N THR A 61 -9.243 1.790 1.189 1.00 0.00 N ATOM 865 CA THR A 61 -8.886 2.022 -0.205 1.00 0.00 C ATOM 866 C THR A 61 -7.488 2.618 -0.323 1.00 0.00 C ATOM 867 O THR A 61 -6.713 2.237 -1.200 1.00 0.00 O ATOM 868 CB THR A 61 -9.892 2.964 -0.893 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.214 2.420 -0.802 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.524 3.176 -2.354 1.00 0.00 C ATOM 0 H THR A 61 -10.029 2.349 1.522 1.00 0.00 H new ATOM 0 HA THR A 61 -8.908 1.052 -0.702 1.00 0.00 H new ATOM 0 HB THR A 61 -9.860 3.927 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.530 2.481 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.249 3.845 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.530 3.618 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.530 2.218 -2.873 1.00 0.00 H new ATOM 878 N ARG A 62 -7.171 3.553 0.567 1.00 0.00 N ATOM 879 CA ARG A 62 -5.865 4.201 0.561 1.00 0.00 C ATOM 880 C ARG A 62 -4.762 3.205 0.909 1.00 0.00 C ATOM 881 O ARG A 62 -3.795 3.050 0.163 1.00 0.00 O ATOM 882 CB ARG A 62 -5.846 5.365 1.553 1.00 0.00 C ATOM 883 CG ARG A 62 -6.695 6.549 1.119 1.00 0.00 C ATOM 884 CD ARG A 62 -6.210 7.844 1.752 1.00 0.00 C ATOM 885 NE ARG A 62 -6.936 9.006 1.246 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.110 9.404 1.723 1.00 0.00 C ATOM 887 NH1 ARG A 62 -8.688 8.738 2.713 1.00 0.00 N ATOM 888 NH2 ARG A 62 -8.709 10.471 1.210 1.00 0.00 N ATOM 0 H ARG A 62 -7.800 3.878 1.301 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.682 4.584 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.199 5.011 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.817 5.697 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.666 6.640 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.734 6.374 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.329 7.785 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.145 7.968 1.554 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.519 9.541 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.231 7.917 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.590 9.046 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.268 10.987 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.611 10.776 1.577 1.00 0.00 H new ATOM 902 N ILE A 63 -4.915 2.533 2.045 1.00 0.00 N ATOM 903 CA ILE A 63 -3.933 1.553 2.490 1.00 0.00 C ATOM 904 C ILE A 63 -3.421 0.718 1.321 1.00 0.00 C ATOM 905 O ILE A 63 -2.215 0.530 1.161 1.00 0.00 O ATOM 906 CB ILE A 63 -4.521 0.612 3.559 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.961 1.412 4.787 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.503 -0.450 3.948 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.819 0.620 5.749 1.00 0.00 C ATOM 0 H ILE A 63 -5.710 2.650 2.674 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.104 2.112 2.925 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.395 0.113 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.076 1.771 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.515 2.291 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.933 -1.107 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.234 -1.036 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.611 0.031 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.094 1.250 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.722 0.284 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.261 -0.245 6.107 1.00 0.00 H new ATOM 921 N SER A 64 -4.345 0.222 0.506 1.00 0.00 N ATOM 922 CA SER A 64 -3.987 -0.594 -0.649 1.00 0.00 C ATOM 923 C SER A 64 -2.948 0.113 -1.513 1.00 0.00 C ATOM 924 O SER A 64 -1.901 -0.452 -1.828 1.00 0.00 O ATOM 925 CB SER A 64 -5.231 -0.910 -1.482 1.00 0.00 C ATOM 926 OG SER A 64 -5.849 -2.107 -1.044 1.00 0.00 O ATOM 0 H SER A 64 -5.347 0.370 0.623 1.00 0.00 H new ATOM 0 HA SER A 64 -3.556 -1.527 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.939 -0.085 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.955 -1.003 -2.532 1.00 0.00 H new ATOM 0 HG SER A 64 -6.642 -2.285 -1.592 1.00 0.00 H new ATOM 932 N GLN A 65 -3.246 1.351 -1.891 1.00 0.00 N ATOM 933 CA GLN A 65 -2.338 2.136 -2.720 1.00 0.00 C ATOM 934 C GLN A 65 -0.905 2.031 -2.206 1.00 0.00 C ATOM 935 O GLN A 65 0.022 1.774 -2.974 1.00 0.00 O ATOM 936 CB GLN A 65 -2.776 3.601 -2.748 1.00 0.00 C ATOM 937 CG GLN A 65 -4.209 3.798 -3.216 1.00 0.00 C ATOM 938 CD GLN A 65 -4.433 5.156 -3.852 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.481 5.855 -4.202 1.00 0.00 O ATOM 940 NE2 GLN A 65 -5.696 5.537 -4.006 1.00 0.00 N ATOM 0 H GLN A 65 -4.108 1.833 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.372 1.735 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.667 4.023 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.108 4.159 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.463 3.018 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.884 3.682 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.454 4.926 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.908 6.441 -4.429 1.00 0.00 H new ATOM 949 N ALA A 66 -0.732 2.233 -0.904 1.00 0.00 N ATOM 950 CA ALA A 66 0.587 2.159 -0.289 1.00 0.00 C ATOM 951 C ALA A 66 1.300 0.867 -0.670 1.00 0.00 C ATOM 952 O ALA A 66 2.526 0.831 -0.777 1.00 0.00 O ATOM 953 CB ALA A 66 0.470 2.273 1.224 1.00 0.00 C ATOM 0 H ALA A 66 -1.489 2.449 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 66 1.181 2.993 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.463 2.216 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.010 3.227 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.146 1.458 1.604 1.00 0.00 H new ATOM 959 N TYR A 67 0.525 -0.193 -0.874 1.00 0.00 N ATOM 960 CA TYR A 67 1.083 -1.489 -1.240 1.00 0.00 C ATOM 961 C TYR A 67 1.162 -1.639 -2.757 1.00 0.00 C ATOM 962 O TYR A 67 1.120 -2.750 -3.286 1.00 0.00 O ATOM 963 CB TYR A 67 0.237 -2.618 -0.649 1.00 0.00 C ATOM 964 CG TYR A 67 0.966 -3.940 -0.563 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.242 -4.017 -0.018 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.380 -5.111 -1.027 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.913 -5.222 0.063 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.043 -6.320 -0.949 1.00 0.00 C ATOM 969 CZ TYR A 67 2.309 -6.371 -0.404 1.00 0.00 C ATOM 970 OH TYR A 67 2.972 -7.574 -0.326 1.00 0.00 O ATOM 0 H TYR A 67 -0.492 -0.180 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 67 2.092 -1.549 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.093 -2.329 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.659 -2.746 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.717 -3.119 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.611 -5.075 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.904 -5.264 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.572 -7.221 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 67 2.407 -8.284 -0.697 1.00 0.00 H new ATOM 980 N VAL A 68 1.278 -0.511 -3.451 1.00 0.00 N ATOM 981 CA VAL A 68 1.366 -0.515 -4.906 1.00 0.00 C ATOM 982 C VAL A 68 2.587 0.262 -5.386 1.00 0.00 C ATOM 983 O VAL A 68 3.482 -0.297 -6.020 1.00 0.00 O ATOM 984 CB VAL A 68 0.102 0.091 -5.546 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.225 0.105 -7.062 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.136 -0.678 -5.110 1.00 0.00 C ATOM 0 H VAL A 68 1.313 0.417 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 68 1.458 -1.556 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 68 0.001 1.121 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.677 0.536 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.089 0.703 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.351 -0.915 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.020 -0.237 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.046 -1.719 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.231 -0.630 -4.025 1.00 0.00 H new ATOM 996 N VAL A 69 2.618 1.555 -5.077 1.00 0.00 N ATOM 997 CA VAL A 69 3.730 2.409 -5.475 1.00 0.00 C ATOM 998 C VAL A 69 5.029 1.964 -4.813 1.00 0.00 C ATOM 999 O VAL A 69 6.095 1.994 -5.429 1.00 0.00 O ATOM 1000 CB VAL A 69 3.462 3.883 -5.115 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.645 4.753 -5.512 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.184 4.369 -5.780 1.00 0.00 C ATOM 0 H VAL A 69 1.886 2.033 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 69 3.827 2.318 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 69 3.333 3.958 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.438 5.791 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.537 4.417 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.809 4.676 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.010 5.412 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.281 4.281 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.344 3.763 -5.440 1.00 0.00 H new ATOM 1012 N LEU A 70 4.933 1.549 -3.555 1.00 0.00 N ATOM 1013 CA LEU A 70 6.102 1.095 -2.808 1.00 0.00 C ATOM 1014 C LEU A 70 6.320 -0.403 -2.994 1.00 0.00 C ATOM 1015 O LEU A 70 7.447 -0.889 -2.928 1.00 0.00 O ATOM 1016 CB LEU A 70 5.937 1.417 -1.321 1.00 0.00 C ATOM 1017 CG LEU A 70 5.509 2.846 -0.987 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.961 2.922 0.430 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.675 3.808 -1.163 1.00 0.00 C ATOM 0 H LEU A 70 4.059 1.517 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 70 6.976 1.621 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.201 0.731 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.883 1.216 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 70 4.717 3.138 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.662 3.947 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.097 2.264 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.731 2.610 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.351 4.820 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.489 3.519 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.021 3.775 -2.196 1.00 0.00 H new ATOM 1031 N GLY A 71 5.231 -1.129 -3.231 1.00 0.00 N ATOM 1032 CA GLY A 71 5.325 -2.564 -3.426 1.00 0.00 C ATOM 1033 C GLY A 71 6.502 -2.955 -4.297 1.00 0.00 C ATOM 1034 O GLY A 71 7.028 -4.062 -4.181 1.00 0.00 O ATOM 0 H GLY A 71 4.286 -0.749 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.416 -3.054 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.404 -2.927 -3.882 1.00 0.00 H new ATOM 1038 N SER A 72 6.917 -2.045 -5.172 1.00 0.00 N ATOM 1039 CA SER A 72 8.036 -2.302 -6.071 1.00 0.00 C ATOM 1040 C SER A 72 9.041 -1.155 -6.029 1.00 0.00 C ATOM 1041 O SER A 72 8.690 0.001 -6.262 1.00 0.00 O ATOM 1042 CB SER A 72 7.533 -2.504 -7.501 1.00 0.00 C ATOM 1043 OG SER A 72 8.597 -2.416 -8.433 1.00 0.00 O ATOM 0 H SER A 72 6.495 -1.122 -5.278 1.00 0.00 H new ATOM 0 HA SER A 72 8.536 -3.212 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.051 -3.478 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.778 -1.753 -7.734 1.00 0.00 H new ATOM 0 HG SER A 72 8.250 -2.550 -9.340 1.00 0.00 H new ATOM 1049 N ALA A 73 10.294 -1.485 -5.731 1.00 0.00 N ATOM 1050 CA ALA A 73 11.351 -0.484 -5.661 1.00 0.00 C ATOM 1051 C ALA A 73 11.311 0.442 -6.872 1.00 0.00 C ATOM 1052 O ALA A 73 11.095 1.647 -6.739 1.00 0.00 O ATOM 1053 CB ALA A 73 12.710 -1.158 -5.554 1.00 0.00 C ATOM 0 H ALA A 73 10.601 -2.438 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 73 11.187 0.120 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.490 -0.398 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.742 -1.772 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.874 -1.787 -6.429 1.00 0.00 H new ATOM 1059 N THR A 74 11.523 -0.128 -8.054 1.00 0.00 N ATOM 1060 CA THR A 74 11.513 0.647 -9.289 1.00 0.00 C ATOM 1061 C THR A 74 10.492 1.776 -9.221 1.00 0.00 C ATOM 1062 O THR A 74 10.843 2.952 -9.326 1.00 0.00 O ATOM 1063 CB THR A 74 11.199 -0.242 -10.507 1.00 0.00 C ATOM 1064 OG1 THR A 74 12.078 -1.372 -10.528 1.00 0.00 O ATOM 1065 CG2 THR A 74 11.344 0.544 -11.801 1.00 0.00 C ATOM 0 H THR A 74 11.704 -1.124 -8.182 1.00 0.00 H new ATOM 0 HA THR A 74 12.511 1.070 -9.405 1.00 0.00 H new ATOM 0 HB THR A 74 10.168 -0.586 -10.423 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.871 -1.933 -11.304 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.117 -0.104 -12.648 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.653 1.387 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 74 12.366 0.913 -11.890 1.00 0.00 H new ATOM 1073 N LEU A 75 9.226 1.413 -9.045 1.00 0.00 N ATOM 1074 CA LEU A 75 8.152 2.397 -8.962 1.00 0.00 C ATOM 1075 C LEU A 75 8.582 3.605 -8.135 1.00 0.00 C ATOM 1076 O LEU A 75 8.655 4.724 -8.643 1.00 0.00 O ATOM 1077 CB LEU A 75 6.901 1.765 -8.350 1.00 0.00 C ATOM 1078 CG LEU A 75 6.370 0.514 -9.051 1.00 0.00 C ATOM 1079 CD1 LEU A 75 5.146 -0.025 -8.326 1.00 0.00 C ATOM 1080 CD2 LEU A 75 6.041 0.816 -10.505 1.00 0.00 C ATOM 0 H LEU A 75 8.918 0.445 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 75 7.924 2.735 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.117 1.512 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.109 2.514 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 75 7.147 -0.250 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.782 -0.915 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.414 -0.281 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.364 0.734 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.665 -0.086 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.282 1.597 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.941 1.154 -11.019 1.00 0.00 H new ATOM 1092 N ARG A 76 8.868 3.369 -6.859 1.00 0.00 N ATOM 1093 CA ARG A 76 9.292 4.438 -5.962 1.00 0.00 C ATOM 1094 C ARG A 76 10.196 5.430 -6.687 1.00 0.00 C ATOM 1095 O ARG A 76 9.954 6.637 -6.665 1.00 0.00 O ATOM 1096 CB ARG A 76 10.024 3.855 -4.751 1.00 0.00 C ATOM 1097 CG ARG A 76 9.093 3.374 -3.650 1.00 0.00 C ATOM 1098 CD ARG A 76 9.739 2.281 -2.813 1.00 0.00 C ATOM 1099 NE ARG A 76 10.481 2.826 -1.679 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.404 2.145 -1.010 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.697 0.900 -1.359 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.037 2.709 0.011 1.00 0.00 N ATOM 0 H ARG A 76 8.814 2.448 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 76 8.402 4.967 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.646 3.022 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.694 4.612 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.822 4.213 -3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.170 2.998 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.969 1.600 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.412 1.695 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 76 10.279 3.782 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.213 0.463 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.406 0.379 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.815 3.667 0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.746 2.185 0.524 1.00 0.00 H new ATOM 1116 N ARG A 77 11.239 4.913 -7.329 1.00 0.00 N ATOM 1117 CA ARG A 77 12.180 5.754 -8.059 1.00 0.00 C ATOM 1118 C ARG A 77 11.490 6.458 -9.223 1.00 0.00 C ATOM 1119 O ARG A 77 11.795 7.609 -9.536 1.00 0.00 O ATOM 1120 CB ARG A 77 13.350 4.915 -8.577 1.00 0.00 C ATOM 1121 CG ARG A 77 14.057 4.120 -7.491 1.00 0.00 C ATOM 1122 CD ARG A 77 14.735 2.883 -8.059 1.00 0.00 C ATOM 1123 NE ARG A 77 15.746 3.222 -9.057 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.656 2.363 -9.502 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.682 1.121 -9.041 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.544 2.747 -10.411 1.00 0.00 N ATOM 0 H ARG A 77 11.453 3.916 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 77 12.560 6.511 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.984 4.227 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.071 5.573 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.799 4.751 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.337 3.824 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.199 2.320 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.985 2.233 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 77 15.754 4.170 -9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.002 0.822 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.382 0.464 -9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.528 3.702 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.243 2.087 -10.752 1.00 0.00 H new ATOM 1140 N LYS A 78 10.559 5.758 -9.863 1.00 0.00 N ATOM 1141 CA LYS A 78 9.824 6.314 -10.992 1.00 0.00 C ATOM 1142 C LYS A 78 9.033 7.549 -10.572 1.00 0.00 C ATOM 1143 O LYS A 78 9.234 8.639 -11.109 1.00 0.00 O ATOM 1144 CB LYS A 78 8.877 5.264 -11.578 1.00 0.00 C ATOM 1145 CG LYS A 78 9.588 4.029 -12.104 1.00 0.00 C ATOM 1146 CD LYS A 78 8.752 3.305 -13.145 1.00 0.00 C ATOM 1147 CE LYS A 78 9.043 3.818 -14.548 1.00 0.00 C ATOM 1148 NZ LYS A 78 10.168 3.080 -15.186 1.00 0.00 N ATOM 0 H LYS A 78 10.296 4.803 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 78 10.546 6.608 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.163 4.963 -10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.304 5.715 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.544 4.317 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.806 3.353 -11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.956 2.235 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.694 3.438 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.149 3.720 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.284 4.880 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.335 3.459 -16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.028 3.195 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.928 2.070 -15.252 1.00 0.00 H new ATOM 1162 N TYR A 79 8.135 7.372 -9.610 1.00 0.00 N ATOM 1163 CA TYR A 79 7.314 8.471 -9.118 1.00 0.00 C ATOM 1164 C TYR A 79 8.174 9.687 -8.785 1.00 0.00 C ATOM 1165 O TYR A 79 7.778 10.827 -9.029 1.00 0.00 O ATOM 1166 CB TYR A 79 6.527 8.035 -7.881 1.00 0.00 C ATOM 1167 CG TYR A 79 5.437 9.005 -7.484 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.416 9.332 -8.367 1.00 0.00 C ATOM 1169 CD2 TYR A 79 5.429 9.594 -6.226 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.418 10.219 -8.009 1.00 0.00 C ATOM 1171 CE2 TYR A 79 4.435 10.480 -5.858 1.00 0.00 C ATOM 1172 CZ TYR A 79 3.432 10.789 -6.753 1.00 0.00 C ATOM 1173 OH TYR A 79 2.441 11.672 -6.391 1.00 0.00 O ATOM 0 H TYR A 79 7.957 6.477 -9.155 1.00 0.00 H new ATOM 0 HA TYR A 79 6.614 8.748 -9.906 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.082 7.058 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.217 7.915 -7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.402 8.886 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.214 9.355 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.632 10.464 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.443 10.928 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 79 2.597 11.981 -5.474 1.00 0.00 H new ATOM 1183 N ASP A 80 9.352 9.434 -8.226 1.00 0.00 N ATOM 1184 CA ASP A 80 10.270 10.506 -7.861 1.00 0.00 C ATOM 1185 C ASP A 80 10.574 11.396 -9.062 1.00 0.00 C ATOM 1186 O ASP A 80 10.529 12.622 -8.966 1.00 0.00 O ATOM 1187 CB ASP A 80 11.569 9.925 -7.300 1.00 0.00 C ATOM 1188 CG ASP A 80 12.543 11.001 -6.860 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.401 11.500 -5.724 1.00 0.00 O ATOM 1190 OD2 ASP A 80 13.445 11.344 -7.652 1.00 0.00 O ATOM 0 H ASP A 80 9.694 8.496 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 80 9.791 11.114 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.338 9.279 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.041 9.300 -8.058 1.00 0.00 H new ATOM 1195 N ARG A 81 10.884 10.769 -10.193 1.00 0.00 N ATOM 1196 CA ARG A 81 11.197 11.503 -11.412 1.00 0.00 C ATOM 1197 C ARG A 81 9.942 11.723 -12.252 1.00 0.00 C ATOM 1198 O ARG A 81 10.020 12.157 -13.401 1.00 0.00 O ATOM 1199 CB ARG A 81 12.247 10.750 -12.231 1.00 0.00 C ATOM 1200 CG ARG A 81 13.238 9.972 -11.382 1.00 0.00 C ATOM 1201 CD ARG A 81 14.109 10.901 -10.550 1.00 0.00 C ATOM 1202 NE ARG A 81 14.906 11.796 -11.384 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.031 12.372 -10.976 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.490 12.147 -9.752 1.00 0.00 N ATOM 1205 NH2 ARG A 81 16.701 13.175 -11.793 1.00 0.00 N ATOM 0 H ARG A 81 10.925 9.754 -10.289 1.00 0.00 H new ATOM 0 HA ARG A 81 11.598 12.476 -11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.742 10.061 -12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.792 11.463 -12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.699 9.291 -10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.869 9.360 -12.026 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.478 11.491 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.771 10.308 -9.918 1.00 0.00 H new ATOM 0 HE ARG A 81 14.581 11.989 -12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.979 11.530 -9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.354 12.591 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.352 13.350 -12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.565 13.617 -11.479 1.00 0.00 H new ATOM 1219 N GLY A 82 8.786 11.418 -11.671 1.00 0.00 N ATOM 1220 CA GLY A 82 7.531 11.588 -12.380 1.00 0.00 C ATOM 1221 C GLY A 82 7.350 10.571 -13.489 1.00 0.00 C ATOM 1222 O GLY A 82 6.541 10.769 -14.397 1.00 0.00 O ATOM 0 H GLY A 82 8.696 11.056 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.704 11.503 -11.675 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.488 12.592 -12.802 1.00 0.00 H new ATOM 1226 N LEU A 83 8.104 9.480 -13.417 1.00 0.00 N ATOM 1227 CA LEU A 83 8.024 8.427 -14.425 1.00 0.00 C ATOM 1228 C LEU A 83 6.791 7.556 -14.205 1.00 0.00 C ATOM 1229 O LEU A 83 6.295 6.918 -15.135 1.00 0.00 O ATOM 1230 CB LEU A 83 9.286 7.564 -14.389 1.00 0.00 C ATOM 1231 CG LEU A 83 10.598 8.278 -14.715 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.773 7.552 -14.079 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.787 8.386 -16.221 1.00 0.00 C ATOM 0 H LEU A 83 8.777 9.301 -12.672 1.00 0.00 H new ATOM 0 HA LEU A 83 7.942 8.899 -15.404 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.372 7.124 -13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.159 6.741 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 83 10.553 9.286 -14.302 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.698 8.075 -14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.643 7.528 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.821 6.532 -14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.726 8.897 -16.434 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.810 7.387 -16.657 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.961 8.951 -16.652 1.00 0.00 H new ATOM 1245 N LEU A 84 6.300 7.536 -12.971 1.00 0.00 N ATOM 1246 CA LEU A 84 5.123 6.745 -12.629 1.00 0.00 C ATOM 1247 C LEU A 84 3.844 7.462 -13.049 1.00 0.00 C ATOM 1248 O LEU A 84 3.629 8.623 -12.701 1.00 0.00 O ATOM 1249 CB LEU A 84 5.093 6.462 -11.126 1.00 0.00 C ATOM 1250 CG LEU A 84 4.066 5.431 -10.657 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.668 4.034 -10.670 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.555 5.781 -9.267 1.00 0.00 C ATOM 0 H LEU A 84 6.698 8.058 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 84 5.182 5.800 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.083 6.124 -10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.901 7.399 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 84 3.222 5.447 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.923 3.313 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.984 3.783 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.530 4.003 -10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.825 5.036 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.389 5.794 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.084 6.764 -9.289 1.00 0.00 H new ATOM 1264 N SER A 85 2.997 6.762 -13.796 1.00 0.00 N ATOM 1265 CA SER A 85 1.740 7.332 -14.265 1.00 0.00 C ATOM 1266 C SER A 85 0.550 6.618 -13.631 1.00 0.00 C ATOM 1267 O SER A 85 0.662 5.475 -13.186 1.00 0.00 O ATOM 1268 CB SER A 85 1.650 7.241 -15.789 1.00 0.00 C ATOM 1269 OG SER A 85 0.518 7.939 -16.277 1.00 0.00 O ATOM 0 H SER A 85 3.159 5.799 -14.090 1.00 0.00 H new ATOM 0 HA SER A 85 1.713 8.381 -13.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.555 7.653 -16.235 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.594 6.195 -16.091 1.00 0.00 H new ATOM 0 HG SER A 85 -0.297 7.458 -16.023 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.590 7.300 -13.593 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.802 6.732 -13.015 1.00 0.00 C ATOM 1277 C ASP A 86 -1.957 5.266 -13.408 1.00 0.00 C ATOM 1278 O ASP A 86 -2.233 4.414 -12.565 1.00 0.00 O ATOM 1279 CB ASP A 86 -3.029 7.527 -13.466 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.906 8.018 -14.895 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.144 7.403 -15.670 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.572 9.018 -15.238 1.00 0.00 O ATOM 0 H ASP A 86 -0.700 8.247 -13.956 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.719 6.791 -11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.917 6.902 -13.375 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.170 8.380 -12.802 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.778 4.982 -14.694 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.900 3.619 -15.199 1.00 0.00 C ATOM 1289 C GLU A 87 -1.337 2.616 -14.196 1.00 0.00 C ATOM 1290 O GLU A 87 -1.924 1.559 -13.964 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.173 3.481 -16.538 1.00 0.00 C ATOM 1292 CG GLU A 87 -1.497 2.193 -17.276 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.017 0.960 -16.535 1.00 0.00 C ATOM 1294 OE1 GLU A 87 0.211 0.812 -16.365 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -1.869 0.143 -16.126 1.00 0.00 O ATOM 0 H GLU A 87 -1.548 5.677 -15.405 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.959 3.406 -15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.433 4.329 -17.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.098 3.530 -16.365 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.575 2.126 -17.426 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.039 2.220 -18.265 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.196 2.954 -13.607 1.00 0.00 N ATOM 1303 CA ASP A 88 0.447 2.084 -12.629 1.00 0.00 C ATOM 1304 C ASP A 88 -0.358 2.033 -11.335 1.00 0.00 C ATOM 1305 O ASP A 88 -0.709 0.956 -10.851 1.00 0.00 O ATOM 1306 CB ASP A 88 1.869 2.568 -12.341 1.00 0.00 C ATOM 1307 CG ASP A 88 2.891 1.953 -13.278 1.00 0.00 C ATOM 1308 OD1 ASP A 88 3.274 0.786 -13.055 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.307 2.640 -14.234 1.00 0.00 O ATOM 0 H ASP A 88 0.303 3.825 -13.790 1.00 0.00 H new ATOM 0 HA ASP A 88 0.492 1.079 -13.048 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.905 3.654 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.131 2.324 -11.311 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.647 3.204 -10.777 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.410 3.293 -9.537 1.00 0.00 C ATOM 1316 C LEU A 89 -2.582 2.318 -9.548 1.00 0.00 C ATOM 1317 O LEU A 89 -2.713 1.479 -8.656 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.921 4.720 -9.332 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.937 5.700 -8.691 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.205 7.117 -9.173 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.022 5.626 -7.174 1.00 0.00 C ATOM 0 H LEU A 89 -0.364 4.105 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.749 3.028 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.222 5.120 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.817 4.678 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 89 0.073 5.420 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.495 7.800 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.092 7.160 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.220 7.408 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.315 6.330 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.033 5.879 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.779 4.616 -6.845 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.432 2.432 -10.564 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.593 1.560 -10.691 1.00 0.00 C ATOM 1335 C ARG A 90 -4.163 0.110 -10.901 1.00 0.00 C ATOM 1336 O ARG A 90 -4.690 -0.802 -10.266 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.474 2.015 -11.855 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.759 2.018 -13.196 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.617 2.643 -14.285 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.621 1.712 -14.793 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.804 1.523 -14.220 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -8.131 2.197 -13.126 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.665 0.658 -14.742 1.00 0.00 N ATOM 0 H ARG A 90 -3.338 3.120 -11.311 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.165 1.621 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.344 1.361 -11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.844 3.019 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.822 2.569 -13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.503 0.996 -13.475 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.112 3.531 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.979 2.971 -15.106 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.402 1.178 -15.634 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.473 2.863 -12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.041 2.049 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.418 0.138 -15.584 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.573 0.514 -14.301 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.202 -0.093 -11.797 1.00 0.00 N ATOM 1358 CA GLY A 91 -2.719 -1.433 -12.075 1.00 0.00 C ATOM 1359 C GLY A 91 -2.681 -1.739 -13.559 1.00 0.00 C ATOM 1360 O GLY A 91 -3.129 -0.949 -14.390 1.00 0.00 O ATOM 0 H GLY A 91 -2.750 0.646 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.719 -1.549 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.360 -2.158 -11.574 1.00 0.00 H new ATOM 1364 N PRO A 92 -2.132 -2.911 -13.912 1.00 0.00 N ATOM 1365 CA PRO A 92 -2.022 -3.346 -15.307 1.00 0.00 C ATOM 1366 C PRO A 92 -3.378 -3.686 -15.916 1.00 0.00 C ATOM 1367 O PRO A 92 -3.480 -3.970 -17.109 1.00 0.00 O ATOM 1368 CB PRO A 92 -1.146 -4.598 -15.221 1.00 0.00 C ATOM 1369 CG PRO A 92 -1.356 -5.113 -13.839 1.00 0.00 C ATOM 1370 CD PRO A 92 -1.576 -3.902 -12.975 1.00 0.00 C ATOM 0 HA PRO A 92 -1.611 -2.565 -15.946 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.437 -5.337 -15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.097 -4.361 -15.400 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.215 -5.783 -13.798 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.491 -5.683 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.265 -4.112 -12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.645 -3.554 -12.527 1.00 0.00 H new ATOM 1378 N GLY A 93 -4.418 -3.655 -15.089 1.00 0.00 N ATOM 1379 CA GLY A 93 -5.754 -3.961 -15.565 1.00 0.00 C ATOM 1380 C GLY A 93 -6.197 -5.362 -15.190 1.00 0.00 C ATOM 1381 O GLY A 93 -5.690 -5.944 -14.231 1.00 0.00 O ATOM 0 H GLY A 93 -4.359 -3.423 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.458 -3.238 -15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.784 -3.852 -16.649 1.00 0.00 H new ATOM 1385 N SER A 94 -7.146 -5.904 -15.946 1.00 0.00 N ATOM 1386 CA SER A 94 -7.661 -7.243 -15.684 1.00 0.00 C ATOM 1387 C SER A 94 -8.274 -7.845 -16.944 1.00 0.00 C ATOM 1388 O SER A 94 -8.944 -7.156 -17.712 1.00 0.00 O ATOM 1389 CB SER A 94 -8.704 -7.201 -14.565 1.00 0.00 C ATOM 1390 OG SER A 94 -9.862 -6.494 -14.973 1.00 0.00 O ATOM 0 H SER A 94 -7.574 -5.437 -16.745 1.00 0.00 H new ATOM 0 HA SER A 94 -6.828 -7.872 -15.371 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.976 -8.217 -14.279 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.276 -6.726 -13.682 1.00 0.00 H new ATOM 0 HG SER A 94 -10.513 -6.483 -14.241 1.00 0.00 H new ATOM 1396 N GLY A 95 -8.039 -9.138 -17.149 1.00 0.00 N ATOM 1397 CA GLY A 95 -8.575 -9.813 -18.317 1.00 0.00 C ATOM 1398 C GLY A 95 -9.590 -10.879 -17.956 1.00 0.00 C ATOM 1399 O GLY A 95 -9.486 -11.541 -16.923 1.00 0.00 O ATOM 0 H GLY A 95 -7.487 -9.730 -16.527 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.042 -9.079 -18.974 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.758 -10.268 -18.876 1.00 0.00 H new ATOM 1403 N PRO A 96 -10.600 -11.057 -18.820 1.00 0.00 N ATOM 1404 CA PRO A 96 -11.658 -12.050 -18.607 1.00 0.00 C ATOM 1405 C PRO A 96 -11.150 -13.480 -18.755 1.00 0.00 C ATOM 1406 O PRO A 96 -9.993 -13.704 -19.110 1.00 0.00 O ATOM 1407 CB PRO A 96 -12.673 -11.726 -19.706 1.00 0.00 C ATOM 1408 CG PRO A 96 -11.876 -11.065 -20.777 1.00 0.00 C ATOM 1409 CD PRO A 96 -10.787 -10.304 -20.071 1.00 0.00 C ATOM 0 HA PRO A 96 -12.069 -11.998 -17.599 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.159 -12.629 -20.075 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.460 -11.069 -19.336 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.457 -11.801 -21.462 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.499 -10.395 -21.370 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.871 -10.272 -20.661 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.078 -9.271 -19.879 1.00 0.00 H new ATOM 1417 N SER A 97 -12.022 -14.444 -18.481 1.00 0.00 N ATOM 1418 CA SER A 97 -11.661 -15.853 -18.580 1.00 0.00 C ATOM 1419 C SER A 97 -11.835 -16.359 -20.009 1.00 0.00 C ATOM 1420 O SER A 97 -12.407 -15.674 -20.856 1.00 0.00 O ATOM 1421 CB SER A 97 -12.512 -16.689 -17.623 1.00 0.00 C ATOM 1422 OG SER A 97 -12.255 -16.340 -16.274 1.00 0.00 O ATOM 0 H SER A 97 -12.984 -14.275 -18.188 1.00 0.00 H new ATOM 0 HA SER A 97 -10.612 -15.954 -18.302 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.568 -16.539 -17.846 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.301 -17.748 -17.774 1.00 0.00 H new ATOM 0 HG SER A 97 -12.813 -16.887 -15.683 1.00 0.00 H new ATOM 1428 N SER A 98 -11.338 -17.565 -20.268 1.00 0.00 N ATOM 1429 CA SER A 98 -11.436 -18.163 -21.594 1.00 0.00 C ATOM 1430 C SER A 98 -12.475 -19.279 -21.612 1.00 0.00 C ATOM 1431 O SER A 98 -12.413 -20.214 -20.814 1.00 0.00 O ATOM 1432 CB SER A 98 -10.075 -18.710 -22.031 1.00 0.00 C ATOM 1433 OG SER A 98 -10.198 -19.514 -23.191 1.00 0.00 O ATOM 0 H SER A 98 -10.864 -18.146 -19.577 1.00 0.00 H new ATOM 0 HA SER A 98 -11.750 -17.388 -22.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.393 -17.883 -22.229 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.639 -19.297 -21.223 1.00 0.00 H new ATOM 0 HG SER A 98 -9.315 -19.850 -23.451 1.00 0.00 H new ATOM 1439 N GLY A 99 -13.432 -19.174 -22.529 1.00 0.00 N ATOM 1440 CA GLY A 99 -14.472 -20.180 -22.635 1.00 0.00 C ATOM 1441 C GLY A 99 -15.692 -19.677 -23.380 1.00 0.00 C ATOM 1442 O GLY A 99 -15.685 -18.572 -23.922 1.00 0.00 O ATOM 0 H GLY A 99 -13.505 -18.410 -23.201 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.074 -21.057 -23.146 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.767 -20.500 -21.636 1.00 0.00 H new TER 1446 GLY A 99