USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 96 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 SER OG : rot 40:sc= 0.00437 USER MOD Set 2.1: A 87 HIS : no HE2:sc= -0.32 X(o=-0.33,f=-0.11) USER MOD Set 2.2: A 93 GLN : amide:sc=-0.00819 X(o=-0.33,f=-0.11) USER MOD Set 3.1: A 52 SER OG : rot 60:sc= 1.21 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.124 K(o=1.3,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 2:sc= 0.481 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.753 K(o=-0.75,f=-3.2) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.21) USER MOD Single : A 14 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-1.9) USER MOD Single : A 16 GLN : amide:sc= 0.81 K(o=0.81,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 34 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0456 X(o=-0.046,f=-0.36) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.251 X(o=0.25,f=-0.041) USER MOD Single : A 66 SER OG : rot 39:sc= 0.0471 USER MOD Single : A 69 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.653 USER MOD Single : A 92 GLN : amide:sc= 1.54 K(o=1.5,f=-0.29) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc=-0.00659 (180deg=-0.068) USER MOD Single : A 104 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.028) USER MOD Single : A 109 SER OG : rot 180:sc= 0.185 USER MOD Single : A 112 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.021 4.814 12.724 1.00 0.00 N ATOM 2 CA GLY A 1 23.586 5.014 11.346 1.00 0.00 C ATOM 3 C GLY A 1 24.034 3.851 10.484 1.00 0.00 C ATOM 4 O GLY A 1 25.049 3.969 9.792 1.00 0.00 O ATOM 0 H1 GLY A 1 23.709 5.617 13.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.606 3.935 13.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.058 4.747 12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.501 5.107 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.999 5.945 10.958 1.00 0.00 H new ATOM 8 N SER A 2 23.307 2.732 10.509 1.00 0.00 N ATOM 9 CA SER A 2 23.603 1.541 9.722 1.00 0.00 C ATOM 10 C SER A 2 22.424 1.348 8.773 1.00 0.00 C ATOM 11 O SER A 2 22.477 1.873 7.661 1.00 0.00 O ATOM 12 CB SER A 2 23.948 0.365 10.642 1.00 0.00 C ATOM 13 OG SER A 2 25.177 0.629 11.307 1.00 0.00 O ATOM 0 H SER A 2 22.477 2.630 11.092 1.00 0.00 H new ATOM 0 HA SER A 2 24.497 1.633 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.152 0.214 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.026 -0.554 10.061 1.00 0.00 H new ATOM 0 HG SER A 2 25.398 -0.122 11.897 1.00 0.00 H new ATOM 19 N SER A 3 21.325 0.716 9.195 1.00 0.00 N ATOM 20 CA SER A 3 20.168 0.535 8.314 1.00 0.00 C ATOM 21 C SER A 3 19.421 1.862 8.047 1.00 0.00 C ATOM 22 O SER A 3 18.500 1.899 7.231 1.00 0.00 O ATOM 23 CB SER A 3 19.241 -0.530 8.901 1.00 0.00 C ATOM 24 OG SER A 3 19.938 -1.738 9.172 1.00 0.00 O ATOM 0 H SER A 3 21.212 0.325 10.130 1.00 0.00 H new ATOM 0 HA SER A 3 20.527 0.194 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.791 -0.155 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.426 -0.728 8.205 1.00 0.00 H new ATOM 0 HG SER A 3 19.317 -2.397 9.548 1.00 0.00 H new ATOM 30 N GLY A 4 19.814 2.961 8.704 1.00 0.00 N ATOM 31 CA GLY A 4 19.236 4.290 8.568 1.00 0.00 C ATOM 32 C GLY A 4 17.986 4.434 9.425 1.00 0.00 C ATOM 33 O GLY A 4 18.048 5.065 10.485 1.00 0.00 O ATOM 0 H GLY A 4 20.581 2.939 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.970 5.041 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.988 4.477 7.523 1.00 0.00 H new ATOM 37 N SER A 5 16.901 3.767 9.021 1.00 0.00 N ATOM 38 CA SER A 5 15.582 3.760 9.651 1.00 0.00 C ATOM 39 C SER A 5 15.154 5.189 9.968 1.00 0.00 C ATOM 40 O SER A 5 15.095 5.574 11.139 1.00 0.00 O ATOM 41 CB SER A 5 15.536 2.827 10.870 1.00 0.00 C ATOM 42 OG SER A 5 16.526 3.152 11.838 1.00 0.00 O ATOM 0 H SER A 5 16.925 3.178 8.188 1.00 0.00 H new ATOM 0 HA SER A 5 14.855 3.349 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.549 2.883 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.677 1.797 10.542 1.00 0.00 H new ATOM 0 HG SER A 5 17.033 3.935 11.537 1.00 0.00 H new ATOM 48 N SER A 6 14.960 6.001 8.934 1.00 0.00 N ATOM 49 CA SER A 6 14.558 7.376 9.107 1.00 0.00 C ATOM 50 C SER A 6 13.861 7.888 7.857 1.00 0.00 C ATOM 51 O SER A 6 14.090 7.377 6.758 1.00 0.00 O ATOM 52 CB SER A 6 15.797 8.224 9.444 1.00 0.00 C ATOM 53 OG SER A 6 16.900 8.003 8.575 1.00 0.00 O ATOM 0 H SER A 6 15.078 5.718 7.961 1.00 0.00 H new ATOM 0 HA SER A 6 13.847 7.450 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.524 9.279 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.105 8.009 10.467 1.00 0.00 H new ATOM 0 HG SER A 6 17.649 8.574 8.846 1.00 0.00 H new ATOM 59 N GLY A 7 13.085 8.957 8.042 1.00 0.00 N ATOM 60 CA GLY A 7 12.338 9.653 7.011 1.00 0.00 C ATOM 61 C GLY A 7 11.499 8.751 6.114 1.00 0.00 C ATOM 62 O GLY A 7 11.395 9.031 4.924 1.00 0.00 O ATOM 0 H GLY A 7 12.959 9.376 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.682 10.382 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.037 10.212 6.389 1.00 0.00 H new ATOM 66 N GLU A 8 10.859 7.717 6.665 1.00 0.00 N ATOM 67 CA GLU A 8 10.023 6.773 5.923 1.00 0.00 C ATOM 68 C GLU A 8 9.016 7.463 4.999 1.00 0.00 C ATOM 69 O GLU A 8 8.809 7.008 3.873 1.00 0.00 O ATOM 70 CB GLU A 8 9.303 5.846 6.916 1.00 0.00 C ATOM 71 CG GLU A 8 10.094 4.564 7.193 1.00 0.00 C ATOM 72 CD GLU A 8 11.536 4.795 7.664 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.742 5.585 8.610 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.447 4.180 7.055 1.00 0.00 O ATOM 0 H GLU A 8 10.909 7.509 7.662 1.00 0.00 H new ATOM 0 HA GLU A 8 10.678 6.191 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.139 6.378 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.321 5.586 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.567 3.983 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.114 3.961 6.285 1.00 0.00 H new ATOM 81 N VAL A 9 8.398 8.555 5.451 1.00 0.00 N ATOM 82 CA VAL A 9 7.430 9.302 4.658 1.00 0.00 C ATOM 83 C VAL A 9 8.093 10.163 3.588 1.00 0.00 C ATOM 84 O VAL A 9 7.453 10.489 2.590 1.00 0.00 O ATOM 85 CB VAL A 9 6.574 10.228 5.545 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.208 9.604 5.733 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.163 10.555 6.920 1.00 0.00 C ATOM 0 H VAL A 9 8.557 8.945 6.380 1.00 0.00 H new ATOM 0 HA VAL A 9 6.804 8.551 4.177 1.00 0.00 H new ATOM 0 HB VAL A 9 6.530 11.179 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.595 10.252 6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.729 9.479 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.315 8.631 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.482 11.212 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.303 9.633 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.124 11.053 6.795 1.00 0.00 H new ATOM 97 N GLN A 10 9.323 10.620 3.814 1.00 0.00 N ATOM 98 CA GLN A 10 10.034 11.439 2.851 1.00 0.00 C ATOM 99 C GLN A 10 10.667 10.554 1.772 1.00 0.00 C ATOM 100 O GLN A 10 10.889 11.036 0.661 1.00 0.00 O ATOM 101 CB GLN A 10 11.077 12.314 3.566 1.00 0.00 C ATOM 102 CG GLN A 10 10.436 13.420 4.431 1.00 0.00 C ATOM 103 CD GLN A 10 9.870 12.964 5.776 1.00 0.00 C ATOM 104 OE1 GLN A 10 10.366 12.035 6.408 1.00 0.00 O ATOM 105 NE2 GLN A 10 8.828 13.610 6.276 1.00 0.00 N ATOM 0 H GLN A 10 9.848 10.431 4.668 1.00 0.00 H new ATOM 0 HA GLN A 10 9.332 12.109 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.704 11.683 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.731 12.772 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.184 14.191 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.633 13.884 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.410 14.383 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.443 13.335 7.180 1.00 0.00 H new ATOM 114 N LYS A 11 10.925 9.273 2.066 1.00 0.00 N ATOM 115 CA LYS A 11 11.530 8.339 1.127 1.00 0.00 C ATOM 116 C LYS A 11 10.683 8.159 -0.139 1.00 0.00 C ATOM 117 O LYS A 11 9.447 8.182 -0.089 1.00 0.00 O ATOM 118 CB LYS A 11 11.740 6.965 1.788 1.00 0.00 C ATOM 119 CG LYS A 11 13.002 6.908 2.652 1.00 0.00 C ATOM 120 CD LYS A 11 13.105 5.552 3.355 1.00 0.00 C ATOM 121 CE LYS A 11 14.380 5.516 4.197 1.00 0.00 C ATOM 122 NZ LYS A 11 14.382 4.386 5.143 1.00 0.00 N ATOM 0 H LYS A 11 10.715 8.858 2.974 1.00 0.00 H new ATOM 0 HA LYS A 11 12.491 8.765 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.873 6.727 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.801 6.200 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.883 7.071 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.981 7.708 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.233 5.390 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.118 4.748 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.247 5.441 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.478 6.451 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.291 4.357 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.610 4.506 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.247 3.496 4.622 1.00 0.00 H new ATOM 136 N PRO A 12 11.341 7.936 -1.285 1.00 0.00 N ATOM 137 CA PRO A 12 10.666 7.717 -2.552 1.00 0.00 C ATOM 138 C PRO A 12 10.023 6.327 -2.522 1.00 0.00 C ATOM 139 O PRO A 12 10.511 5.417 -1.847 1.00 0.00 O ATOM 140 CB PRO A 12 11.774 7.794 -3.603 1.00 0.00 C ATOM 141 CG PRO A 12 13.019 7.346 -2.848 1.00 0.00 C ATOM 142 CD PRO A 12 12.786 7.887 -1.450 1.00 0.00 C ATOM 0 HA PRO A 12 9.878 8.440 -2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.566 7.144 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.885 8.805 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.122 6.261 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.928 7.753 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.245 7.243 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.228 8.877 -1.334 1.00 0.00 H new ATOM 150 N LEU A 13 8.958 6.119 -3.301 1.00 0.00 N ATOM 151 CA LEU A 13 8.255 4.836 -3.366 1.00 0.00 C ATOM 152 C LEU A 13 9.204 3.698 -3.760 1.00 0.00 C ATOM 153 O LEU A 13 9.088 2.606 -3.212 1.00 0.00 O ATOM 154 CB LEU A 13 7.066 4.950 -4.343 1.00 0.00 C ATOM 155 CG LEU A 13 6.467 3.614 -4.852 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.963 3.734 -5.121 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.122 3.177 -6.171 1.00 0.00 C ATOM 0 H LEU A 13 8.559 6.837 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 13 7.870 4.593 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.274 5.516 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.387 5.532 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 13 6.655 2.883 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.579 2.778 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.450 4.011 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.789 4.499 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.681 2.237 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.958 3.942 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.193 3.041 -6.018 1.00 0.00 H new ATOM 169 N HIS A 14 10.156 3.942 -4.669 1.00 0.00 N ATOM 170 CA HIS A 14 11.105 2.923 -5.129 1.00 0.00 C ATOM 171 C HIS A 14 12.053 2.405 -4.033 1.00 0.00 C ATOM 172 O HIS A 14 12.809 1.466 -4.281 1.00 0.00 O ATOM 173 CB HIS A 14 11.845 3.393 -6.393 1.00 0.00 C ATOM 174 CG HIS A 14 12.570 4.709 -6.274 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.800 4.917 -5.694 1.00 0.00 N ATOM 176 CD2 HIS A 14 12.127 5.915 -6.749 1.00 0.00 C ATOM 177 CE1 HIS A 14 14.069 6.228 -5.776 1.00 0.00 C ATOM 178 NE2 HIS A 14 13.093 6.880 -6.432 1.00 0.00 N ATOM 0 H HIS A 14 10.289 4.854 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 14 10.512 2.049 -5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.566 2.626 -6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.124 3.469 -7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.200 6.091 -7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.952 6.698 -5.369 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.062 7.875 -6.654 1.00 0.00 H new ATOM 186 N GLU A 15 12.029 2.978 -2.827 1.00 0.00 N ATOM 187 CA GLU A 15 12.862 2.565 -1.697 1.00 0.00 C ATOM 188 C GLU A 15 12.013 1.949 -0.584 1.00 0.00 C ATOM 189 O GLU A 15 12.560 1.465 0.413 1.00 0.00 O ATOM 190 CB GLU A 15 13.685 3.766 -1.194 1.00 0.00 C ATOM 191 CG GLU A 15 14.732 4.098 -2.256 1.00 0.00 C ATOM 192 CD GLU A 15 15.820 5.083 -1.846 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.544 6.069 -1.129 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.962 4.848 -2.313 1.00 0.00 O ATOM 0 H GLU A 15 11.414 3.761 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 15 13.555 1.791 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.037 4.624 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.166 3.528 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.211 3.169 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.218 4.500 -3.129 1.00 0.00 H new ATOM 201 N GLN A 16 10.688 1.935 -0.744 1.00 0.00 N ATOM 202 CA GLN A 16 9.779 1.400 0.248 1.00 0.00 C ATOM 203 C GLN A 16 9.783 -0.120 0.256 1.00 0.00 C ATOM 204 O GLN A 16 9.747 -0.754 -0.801 1.00 0.00 O ATOM 205 CB GLN A 16 8.361 1.928 0.020 1.00 0.00 C ATOM 206 CG GLN A 16 8.294 3.461 0.082 1.00 0.00 C ATOM 207 CD GLN A 16 8.566 4.065 1.456 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.734 3.375 2.460 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.612 5.383 1.504 1.00 0.00 N ATOM 0 H GLN A 16 10.221 2.299 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 16 10.128 1.736 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.001 1.590 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.693 1.506 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.014 3.870 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.306 3.780 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.469 5.930 0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.791 5.855 2.390 1.00 0.00 H new ATOM 218 N LEU A 17 9.772 -0.695 1.457 1.00 0.00 N ATOM 219 CA LEU A 17 9.763 -2.137 1.711 1.00 0.00 C ATOM 220 C LEU A 17 8.588 -2.829 1.023 1.00 0.00 C ATOM 221 O LEU A 17 8.715 -3.958 0.557 1.00 0.00 O ATOM 222 CB LEU A 17 9.736 -2.442 3.227 1.00 0.00 C ATOM 223 CG LEU A 17 8.424 -2.221 4.012 1.00 0.00 C ATOM 224 CD1 LEU A 17 8.566 -2.730 5.450 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.014 -0.747 4.083 1.00 0.00 C ATOM 0 H LEU A 17 9.769 -0.147 2.317 1.00 0.00 H new ATOM 0 HA LEU A 17 10.687 -2.533 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.026 -3.484 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.508 -1.834 3.699 1.00 0.00 H new ATOM 0 HG LEU A 17 7.657 -2.775 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.632 -2.566 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.796 -3.795 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.371 -2.191 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.086 -0.654 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.798 -0.175 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.866 -0.361 3.074 1.00 0.00 H new ATOM 237 N TRP A 18 7.454 -2.131 0.944 1.00 0.00 N ATOM 238 CA TRP A 18 6.224 -2.614 0.348 1.00 0.00 C ATOM 239 C TRP A 18 6.173 -2.474 -1.170 1.00 0.00 C ATOM 240 O TRP A 18 5.165 -2.842 -1.781 1.00 0.00 O ATOM 241 CB TRP A 18 5.046 -1.905 1.034 1.00 0.00 C ATOM 242 CG TRP A 18 5.138 -0.435 1.277 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.231 0.133 2.501 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.069 0.664 0.328 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.211 1.505 2.377 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.021 1.877 1.066 1.00 0.00 C ATOM 247 CE3 TRP A 18 5.028 0.772 -1.074 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.854 3.112 0.444 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.874 2.013 -1.715 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.768 3.187 -0.954 1.00 0.00 C ATOM 0 H TRP A 18 7.372 -1.182 1.308 1.00 0.00 H new ATOM 0 HA TRP A 18 6.165 -3.690 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.155 -2.085 0.432 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.884 -2.390 1.997 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.309 -0.407 3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.322 2.158 3.153 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.117 -0.122 -1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.791 4.012 1.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.837 2.063 -2.793 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.621 4.140 -1.440 1.00 0.00 H new ATOM 261 N TYR A 19 7.194 -1.900 -1.808 1.00 0.00 N ATOM 262 CA TYR A 19 7.211 -1.740 -3.250 1.00 0.00 C ATOM 263 C TYR A 19 7.872 -2.977 -3.860 1.00 0.00 C ATOM 264 O TYR A 19 9.084 -3.010 -4.072 1.00 0.00 O ATOM 265 CB TYR A 19 7.859 -0.412 -3.649 1.00 0.00 C ATOM 266 CG TYR A 19 7.828 -0.221 -5.156 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.595 -0.245 -5.838 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.023 -0.113 -5.890 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.561 -0.198 -7.246 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.992 -0.024 -7.293 1.00 0.00 C ATOM 271 CZ TYR A 19 7.763 -0.087 -7.985 1.00 0.00 C ATOM 272 OH TYR A 19 7.744 -0.009 -9.347 1.00 0.00 O ATOM 0 H TYR A 19 8.023 -1.538 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 19 6.199 -1.678 -3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.336 0.412 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.890 -0.386 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.672 -0.300 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.971 -0.098 -5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.614 -0.247 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.913 0.093 -7.844 1.00 0.00 H new ATOM 0 HH TYR A 19 8.662 0.064 -9.683 1.00 0.00 H new ATOM 282 N HIS A 20 7.048 -3.992 -4.142 1.00 0.00 N ATOM 283 CA HIS A 20 7.494 -5.267 -4.711 1.00 0.00 C ATOM 284 C HIS A 20 7.661 -5.269 -6.237 1.00 0.00 C ATOM 285 O HIS A 20 8.188 -6.248 -6.766 1.00 0.00 O ATOM 286 CB HIS A 20 6.503 -6.379 -4.332 1.00 0.00 C ATOM 287 CG HIS A 20 6.513 -6.774 -2.876 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.063 -7.930 -2.360 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.922 -6.106 -1.838 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.794 -7.948 -1.042 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.083 -6.871 -0.697 1.00 0.00 N ATOM 0 H HIS A 20 6.042 -3.950 -3.980 1.00 0.00 H new ATOM 0 HA HIS A 20 8.484 -5.438 -4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.497 -6.054 -4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.723 -7.261 -4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.420 -5.152 -1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.108 -8.724 -0.359 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.726 -6.654 0.233 1.00 0.00 H new ATOM 299 N GLY A 21 7.220 -4.238 -6.957 1.00 0.00 N ATOM 300 CA GLY A 21 7.316 -4.141 -8.411 1.00 0.00 C ATOM 301 C GLY A 21 6.062 -4.688 -9.096 1.00 0.00 C ATOM 302 O GLY A 21 5.055 -4.985 -8.448 1.00 0.00 O ATOM 0 H GLY A 21 6.774 -3.425 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.463 -3.100 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.190 -4.693 -8.756 1.00 0.00 H new ATOM 306 N ALA A 22 6.107 -4.837 -10.421 1.00 0.00 N ATOM 307 CA ALA A 22 5.022 -5.332 -11.277 1.00 0.00 C ATOM 308 C ALA A 22 4.700 -6.834 -11.119 1.00 0.00 C ATOM 309 O ALA A 22 4.237 -7.489 -12.063 1.00 0.00 O ATOM 310 CB ALA A 22 5.357 -4.975 -12.729 1.00 0.00 C ATOM 0 H ALA A 22 6.944 -4.604 -10.956 1.00 0.00 H new ATOM 0 HA ALA A 22 4.104 -4.839 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.563 -5.334 -13.384 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.447 -3.893 -12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.300 -5.444 -13.011 1.00 0.00 H new ATOM 316 N ILE A 23 4.958 -7.403 -9.938 1.00 0.00 N ATOM 317 CA ILE A 23 4.724 -8.806 -9.637 1.00 0.00 C ATOM 318 C ILE A 23 3.268 -9.211 -9.905 1.00 0.00 C ATOM 319 O ILE A 23 2.348 -8.438 -9.606 1.00 0.00 O ATOM 320 CB ILE A 23 5.122 -9.152 -8.182 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.319 -8.389 -7.098 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.624 -8.903 -7.995 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.417 -9.035 -5.715 1.00 0.00 C ATOM 0 H ILE A 23 5.344 -6.883 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 23 5.362 -9.380 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 23 4.878 -10.205 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.682 -7.363 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.272 -8.340 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.908 -9.146 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.186 -9.531 -8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.847 -7.855 -8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.834 -8.454 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.028 -10.052 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.460 -9.059 -5.398 1.00 0.00 H new ATOM 335 N PRO A 24 3.032 -10.396 -10.488 1.00 0.00 N ATOM 336 CA PRO A 24 1.686 -10.865 -10.732 1.00 0.00 C ATOM 337 C PRO A 24 1.059 -11.323 -9.407 1.00 0.00 C ATOM 338 O PRO A 24 1.710 -11.434 -8.366 1.00 0.00 O ATOM 339 CB PRO A 24 1.818 -12.010 -11.727 1.00 0.00 C ATOM 340 CG PRO A 24 3.247 -12.515 -11.580 1.00 0.00 C ATOM 341 CD PRO A 24 4.019 -11.382 -10.905 1.00 0.00 C ATOM 0 HA PRO A 24 1.035 -10.090 -11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.099 -12.800 -11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.625 -11.670 -12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.281 -13.424 -10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.678 -12.758 -12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.582 -11.753 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.740 -10.941 -11.593 1.00 0.00 H new ATOM 349 N ARG A 25 -0.235 -11.645 -9.432 1.00 0.00 N ATOM 350 CA ARG A 25 -0.946 -12.073 -8.227 1.00 0.00 C ATOM 351 C ARG A 25 -0.521 -13.425 -7.677 1.00 0.00 C ATOM 352 O ARG A 25 -0.847 -13.707 -6.521 1.00 0.00 O ATOM 353 CB ARG A 25 -2.454 -12.028 -8.512 1.00 0.00 C ATOM 354 CG ARG A 25 -3.429 -11.919 -7.329 1.00 0.00 C ATOM 355 CD ARG A 25 -3.864 -13.228 -6.649 1.00 0.00 C ATOM 356 NE ARG A 25 -4.212 -14.313 -7.581 1.00 0.00 N ATOM 357 CZ ARG A 25 -3.725 -15.562 -7.572 1.00 0.00 C ATOM 358 NH1 ARG A 25 -2.675 -15.890 -6.828 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.280 -16.505 -8.322 1.00 0.00 N ATOM 0 H ARG A 25 -0.812 -11.618 -10.273 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.680 -11.376 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.640 -11.180 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.711 -12.929 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.971 -11.282 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.325 -11.406 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.059 -13.569 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.724 -13.023 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.893 -14.092 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.221 -15.185 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.322 -16.847 -6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.083 -16.282 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.904 -17.453 -8.310 1.00 0.00 H new ATOM 373 N ALA A 26 0.163 -14.255 -8.463 1.00 0.00 N ATOM 374 CA ALA A 26 0.611 -15.563 -8.015 1.00 0.00 C ATOM 375 C ALA A 26 1.398 -15.427 -6.710 1.00 0.00 C ATOM 376 O ALA A 26 1.095 -16.104 -5.727 1.00 0.00 O ATOM 377 CB ALA A 26 1.451 -16.228 -9.112 1.00 0.00 C ATOM 0 H ALA A 26 0.419 -14.036 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.252 -16.199 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.784 -17.208 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.848 -16.343 -10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.319 -15.606 -9.333 1.00 0.00 H new ATOM 383 N GLU A 27 2.337 -14.484 -6.689 1.00 0.00 N ATOM 384 CA GLU A 27 3.206 -14.229 -5.552 1.00 0.00 C ATOM 385 C GLU A 27 2.534 -13.318 -4.542 1.00 0.00 C ATOM 386 O GLU A 27 2.725 -13.509 -3.347 1.00 0.00 O ATOM 387 CB GLU A 27 4.538 -13.617 -6.014 1.00 0.00 C ATOM 388 CG GLU A 27 5.334 -14.551 -6.944 1.00 0.00 C ATOM 389 CD GLU A 27 5.031 -14.380 -8.435 1.00 0.00 C ATOM 390 OE1 GLU A 27 3.948 -13.883 -8.796 1.00 0.00 O ATOM 391 OE2 GLU A 27 5.927 -14.713 -9.250 1.00 0.00 O ATOM 0 H GLU A 27 2.515 -13.865 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 27 3.408 -15.184 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.341 -12.678 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.145 -13.378 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.398 -14.382 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.129 -15.584 -6.662 1.00 0.00 H new ATOM 398 N VAL A 28 1.717 -12.354 -4.985 1.00 0.00 N ATOM 399 CA VAL A 28 1.024 -11.437 -4.077 1.00 0.00 C ATOM 400 C VAL A 28 0.249 -12.237 -3.039 1.00 0.00 C ATOM 401 O VAL A 28 0.353 -11.941 -1.848 1.00 0.00 O ATOM 402 CB VAL A 28 0.098 -10.493 -4.851 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.751 -9.621 -3.918 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.901 -9.593 -5.797 1.00 0.00 C ATOM 0 H VAL A 28 1.520 -12.190 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 28 1.762 -10.819 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.574 -11.124 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.391 -8.969 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.369 -10.259 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.097 -9.015 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.221 -8.932 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.606 -8.996 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.447 -10.210 -6.510 1.00 0.00 H new ATOM 414 N ALA A 29 -0.492 -13.257 -3.492 1.00 0.00 N ATOM 415 CA ALA A 29 -1.263 -14.108 -2.596 1.00 0.00 C ATOM 416 C ALA A 29 -0.418 -14.778 -1.499 1.00 0.00 C ATOM 417 O ALA A 29 -0.995 -15.248 -0.523 1.00 0.00 O ATOM 418 CB ALA A 29 -1.917 -15.213 -3.423 1.00 0.00 C ATOM 0 H ALA A 29 -0.569 -13.508 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.990 -13.465 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.499 -15.861 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.574 -14.768 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.145 -15.800 -3.921 1.00 0.00 H new ATOM 424 N GLU A 30 0.905 -14.864 -1.644 1.00 0.00 N ATOM 425 CA GLU A 30 1.804 -15.498 -0.684 1.00 0.00 C ATOM 426 C GLU A 30 2.532 -14.499 0.221 1.00 0.00 C ATOM 427 O GLU A 30 3.187 -14.914 1.184 1.00 0.00 O ATOM 428 CB GLU A 30 2.842 -16.332 -1.454 1.00 0.00 C ATOM 429 CG GLU A 30 2.168 -17.401 -2.313 1.00 0.00 C ATOM 430 CD GLU A 30 3.186 -18.306 -2.992 1.00 0.00 C ATOM 431 OE1 GLU A 30 3.756 -19.182 -2.297 1.00 0.00 O ATOM 432 OE2 GLU A 30 3.326 -18.236 -4.229 1.00 0.00 O ATOM 0 H GLU A 30 1.392 -14.484 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 30 1.191 -16.122 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.440 -15.677 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.526 -16.806 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.505 -18.002 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.547 -16.921 -3.069 1.00 0.00 H new ATOM 439 N LEU A 31 2.477 -13.204 -0.103 1.00 0.00 N ATOM 440 CA LEU A 31 3.112 -12.148 0.665 1.00 0.00 C ATOM 441 C LEU A 31 2.250 -11.838 1.876 1.00 0.00 C ATOM 442 O LEU A 31 2.780 -11.645 2.965 1.00 0.00 O ATOM 443 CB LEU A 31 3.264 -10.882 -0.189 1.00 0.00 C ATOM 444 CG LEU A 31 4.223 -11.019 -1.378 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.179 -9.730 -2.198 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.645 -11.315 -0.900 1.00 0.00 C ATOM 0 H LEU A 31 1.978 -12.861 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 31 4.102 -12.478 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.282 -10.594 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.613 -10.070 0.449 1.00 0.00 H new ATOM 0 HG LEU A 31 3.911 -11.856 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.857 -9.815 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.164 -9.563 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.484 -8.891 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.306 -11.408 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.991 -10.501 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.652 -12.247 -0.335 1.00 0.00 H new ATOM 458 N LEU A 32 0.935 -11.734 1.676 1.00 0.00 N ATOM 459 CA LEU A 32 -0.011 -11.453 2.747 1.00 0.00 C ATOM 460 C LEU A 32 -0.173 -12.737 3.551 1.00 0.00 C ATOM 461 O LEU A 32 -0.232 -13.822 2.973 1.00 0.00 O ATOM 462 CB LEU A 32 -1.361 -10.997 2.184 1.00 0.00 C ATOM 463 CG LEU A 32 -1.256 -9.931 1.069 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.985 -10.420 -0.185 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.819 -8.588 1.490 1.00 0.00 C ATOM 0 H LEU A 32 0.498 -11.844 0.761 1.00 0.00 H new ATOM 0 HA LEU A 32 0.359 -10.644 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.890 -11.865 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.965 -10.596 2.998 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.196 -9.789 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.908 -9.666 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.531 -11.349 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.035 -10.594 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.719 -7.878 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.872 -8.700 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.271 -8.219 2.357 1.00 0.00 H new ATOM 477 N VAL A 33 -0.349 -12.603 4.860 1.00 0.00 N ATOM 478 CA VAL A 33 -0.484 -13.727 5.776 1.00 0.00 C ATOM 479 C VAL A 33 -1.679 -13.562 6.724 1.00 0.00 C ATOM 480 O VAL A 33 -2.288 -14.564 7.114 1.00 0.00 O ATOM 481 CB VAL A 33 0.849 -13.861 6.553 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.939 -15.215 7.257 1.00 0.00 C ATOM 483 CG2 VAL A 33 2.106 -13.710 5.674 1.00 0.00 C ATOM 0 H VAL A 33 -0.403 -11.695 5.322 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.685 -14.638 5.212 1.00 0.00 H new ATOM 0 HB VAL A 33 0.833 -13.040 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.884 -15.283 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.113 -15.315 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.884 -16.014 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.997 -13.817 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.105 -14.480 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.106 -12.726 5.205 1.00 0.00 H new ATOM 493 N HIS A 34 -2.052 -12.325 7.078 1.00 0.00 N ATOM 494 CA HIS A 34 -3.161 -12.037 7.982 1.00 0.00 C ATOM 495 C HIS A 34 -3.916 -10.772 7.574 1.00 0.00 C ATOM 496 O HIS A 34 -3.483 -10.003 6.713 1.00 0.00 O ATOM 497 CB HIS A 34 -2.652 -11.837 9.421 1.00 0.00 C ATOM 498 CG HIS A 34 -1.548 -12.755 9.864 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.682 -14.039 10.341 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.220 -12.438 9.856 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.448 -14.483 10.631 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.475 -13.537 10.367 1.00 0.00 N ATOM 0 H HIS A 34 -1.581 -11.487 6.736 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.833 -12.893 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.305 -10.809 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.494 -11.958 10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.213 -11.509 9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.226 -15.465 11.023 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.482 -13.609 10.512 1.00 0.00 H new ATOM 510 N SER A 35 -5.050 -10.535 8.233 1.00 0.00 N ATOM 511 CA SER A 35 -5.893 -9.375 8.009 1.00 0.00 C ATOM 512 C SER A 35 -5.077 -8.107 8.281 1.00 0.00 C ATOM 513 O SER A 35 -4.488 -7.954 9.358 1.00 0.00 O ATOM 514 CB SER A 35 -7.162 -9.417 8.879 1.00 0.00 C ATOM 515 OG SER A 35 -7.066 -10.261 10.018 1.00 0.00 O ATOM 0 H SER A 35 -5.411 -11.162 8.952 1.00 0.00 H new ATOM 0 HA SER A 35 -6.227 -9.376 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.394 -8.405 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.998 -9.751 8.264 1.00 0.00 H new ATOM 0 HG SER A 35 -7.908 -10.232 10.518 1.00 0.00 H new ATOM 521 N GLY A 36 -5.049 -7.187 7.323 1.00 0.00 N ATOM 522 CA GLY A 36 -4.336 -5.939 7.442 1.00 0.00 C ATOM 523 C GLY A 36 -2.970 -5.974 6.795 1.00 0.00 C ATOM 524 O GLY A 36 -2.326 -4.923 6.758 1.00 0.00 O ATOM 0 H GLY A 36 -5.532 -7.298 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.927 -5.145 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.226 -5.689 8.497 1.00 0.00 H new ATOM 528 N ASP A 37 -2.493 -7.142 6.353 1.00 0.00 N ATOM 529 CA ASP A 37 -1.211 -7.182 5.668 1.00 0.00 C ATOM 530 C ASP A 37 -1.471 -6.486 4.347 1.00 0.00 C ATOM 531 O ASP A 37 -2.561 -6.639 3.786 1.00 0.00 O ATOM 532 CB ASP A 37 -0.724 -8.605 5.359 1.00 0.00 C ATOM 533 CG ASP A 37 0.029 -9.240 6.518 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.647 -8.508 7.325 1.00 0.00 O ATOM 535 OD2 ASP A 37 -0.034 -10.476 6.644 1.00 0.00 O ATOM 0 H ASP A 37 -2.962 -8.042 6.455 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.445 -6.724 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.581 -9.229 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.076 -8.579 4.483 1.00 0.00 H new ATOM 540 N PHE A 38 -0.498 -5.738 3.840 1.00 0.00 N ATOM 541 CA PHE A 38 -0.607 -5.038 2.576 1.00 0.00 C ATOM 542 C PHE A 38 0.738 -4.875 1.892 1.00 0.00 C ATOM 543 O PHE A 38 1.787 -4.981 2.523 1.00 0.00 O ATOM 544 CB PHE A 38 -1.221 -3.640 2.773 1.00 0.00 C ATOM 545 CG PHE A 38 -0.251 -2.596 3.297 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.001 -2.510 4.675 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.450 -1.758 2.405 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.957 -1.600 5.151 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.398 -0.841 2.888 1.00 0.00 C ATOM 550 CZ PHE A 38 1.649 -0.755 4.265 1.00 0.00 C ATOM 0 H PHE A 38 0.399 -5.602 4.306 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.253 -5.649 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.625 -3.297 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.059 -3.719 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.538 -3.141 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.257 -1.822 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.164 -1.548 6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.933 -0.203 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.369 -0.044 4.643 1.00 0.00 H new ATOM 560 N LEU A 39 0.690 -4.584 0.594 1.00 0.00 N ATOM 561 CA LEU A 39 1.816 -4.343 -0.291 1.00 0.00 C ATOM 562 C LEU A 39 1.347 -3.527 -1.486 1.00 0.00 C ATOM 563 O LEU A 39 0.145 -3.340 -1.690 1.00 0.00 O ATOM 564 CB LEU A 39 2.531 -5.636 -0.723 1.00 0.00 C ATOM 565 CG LEU A 39 1.815 -6.745 -1.506 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.697 -7.431 -0.728 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.388 -6.344 -2.924 1.00 0.00 C ATOM 0 H LEU A 39 -0.201 -4.506 0.104 1.00 0.00 H new ATOM 0 HA LEU A 39 2.565 -3.775 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.390 -5.334 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.922 -6.096 0.185 1.00 0.00 H new ATOM 0 HG LEU A 39 2.587 -7.502 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.241 -8.202 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.107 -7.887 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.058 -6.695 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.890 -7.186 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.703 -5.498 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.268 -6.063 -3.503 1.00 0.00 H new ATOM 579 N VAL A 40 2.294 -3.066 -2.294 1.00 0.00 N ATOM 580 CA VAL A 40 2.059 -2.274 -3.486 1.00 0.00 C ATOM 581 C VAL A 40 2.617 -3.063 -4.660 1.00 0.00 C ATOM 582 O VAL A 40 3.747 -3.566 -4.580 1.00 0.00 O ATOM 583 CB VAL A 40 2.751 -0.908 -3.313 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.705 -0.068 -4.600 1.00 0.00 C ATOM 585 CG2 VAL A 40 2.153 -0.173 -2.095 1.00 0.00 C ATOM 0 H VAL A 40 3.284 -3.243 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 40 1.001 -2.081 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 40 3.810 -1.074 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.205 0.886 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.210 -0.605 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.667 0.111 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.644 0.793 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.085 -0.020 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.306 -0.772 -1.197 1.00 0.00 H new ATOM 595 N ARG A 41 1.846 -3.183 -5.744 1.00 0.00 N ATOM 596 CA ARG A 41 2.260 -3.894 -6.948 1.00 0.00 C ATOM 597 C ARG A 41 1.936 -3.008 -8.134 1.00 0.00 C ATOM 598 O ARG A 41 0.839 -2.451 -8.187 1.00 0.00 O ATOM 599 CB ARG A 41 1.629 -5.294 -7.029 1.00 0.00 C ATOM 600 CG ARG A 41 0.099 -5.292 -7.197 1.00 0.00 C ATOM 601 CD ARG A 41 -0.437 -6.721 -7.135 1.00 0.00 C ATOM 602 NE ARG A 41 -1.905 -6.799 -7.281 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.589 -6.857 -8.436 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.975 -6.734 -9.606 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.906 -7.047 -8.411 1.00 0.00 N ATOM 0 H ARG A 41 0.909 -2.784 -5.807 1.00 0.00 H new ATOM 0 HA ARG A 41 3.333 -4.085 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.074 -5.832 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.882 -5.847 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.360 -4.689 -6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.170 -4.835 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.032 -7.312 -7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.149 -7.169 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.453 -6.810 -6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.965 -6.593 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.513 -6.781 -10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.390 -7.148 -7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.431 -7.092 -9.284 1.00 0.00 H new ATOM 619 N GLU A 42 2.896 -2.772 -9.017 1.00 0.00 N ATOM 620 CA GLU A 42 2.640 -1.955 -10.192 1.00 0.00 C ATOM 621 C GLU A 42 1.811 -2.817 -11.155 1.00 0.00 C ATOM 622 O GLU A 42 1.869 -4.053 -11.112 1.00 0.00 O ATOM 623 CB GLU A 42 3.969 -1.500 -10.829 1.00 0.00 C ATOM 624 CG GLU A 42 3.773 -0.431 -11.925 1.00 0.00 C ATOM 625 CD GLU A 42 5.062 -0.062 -12.670 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.839 -0.972 -13.052 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.275 1.141 -12.950 1.00 0.00 O ATOM 0 H GLU A 42 3.848 -3.130 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 42 2.094 -1.047 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.621 -1.101 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.476 -2.365 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.040 -0.793 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.357 0.468 -11.471 1.00 0.00 H new ATOM 634 N SER A 43 1.002 -2.184 -12.003 1.00 0.00 N ATOM 635 CA SER A 43 0.214 -2.887 -12.995 1.00 0.00 C ATOM 636 C SER A 43 1.248 -3.519 -13.941 1.00 0.00 C ATOM 637 O SER A 43 2.393 -3.064 -14.041 1.00 0.00 O ATOM 638 CB SER A 43 -0.733 -1.904 -13.698 1.00 0.00 C ATOM 639 OG SER A 43 -1.859 -2.562 -14.259 1.00 0.00 O ATOM 0 H SER A 43 0.880 -1.171 -12.016 1.00 0.00 H new ATOM 0 HA SER A 43 -0.433 -3.658 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.070 -1.152 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.191 -1.378 -14.484 1.00 0.00 H new ATOM 0 HG SER A 43 -2.439 -1.903 -14.696 1.00 0.00 H new ATOM 645 N GLN A 44 0.858 -4.539 -14.697 1.00 0.00 N ATOM 646 CA GLN A 44 1.748 -5.256 -15.612 1.00 0.00 C ATOM 647 C GLN A 44 2.191 -4.470 -16.859 1.00 0.00 C ATOM 648 O GLN A 44 2.445 -5.069 -17.909 1.00 0.00 O ATOM 649 CB GLN A 44 1.109 -6.606 -15.957 1.00 0.00 C ATOM 650 CG GLN A 44 0.757 -7.399 -14.689 1.00 0.00 C ATOM 651 CD GLN A 44 0.454 -8.868 -14.946 1.00 0.00 C ATOM 652 OE1 GLN A 44 0.803 -9.704 -14.116 1.00 0.00 O ATOM 653 NE2 GLN A 44 -0.220 -9.225 -16.027 1.00 0.00 N ATOM 0 H GLN A 44 -0.097 -4.898 -14.694 1.00 0.00 H new ATOM 0 HA GLN A 44 2.691 -5.409 -15.087 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.208 -6.443 -16.548 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.794 -7.188 -16.574 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.586 -7.327 -13.985 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.108 -6.938 -14.212 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.503 -8.520 -16.707 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.457 -10.205 -16.180 1.00 0.00 H new ATOM 662 N GLY A 45 2.232 -3.143 -16.816 1.00 0.00 N ATOM 663 CA GLY A 45 2.652 -2.319 -17.929 1.00 0.00 C ATOM 664 C GLY A 45 2.383 -0.859 -17.632 1.00 0.00 C ATOM 665 O GLY A 45 3.315 -0.078 -17.444 1.00 0.00 O ATOM 0 H GLY A 45 1.969 -2.606 -15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.715 -2.469 -18.120 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.120 -2.617 -18.832 1.00 0.00 H new ATOM 669 N LYS A 46 1.108 -0.479 -17.615 1.00 0.00 N ATOM 670 CA LYS A 46 0.708 0.893 -17.361 1.00 0.00 C ATOM 671 C LYS A 46 1.206 1.315 -15.985 1.00 0.00 C ATOM 672 O LYS A 46 1.148 0.532 -15.037 1.00 0.00 O ATOM 673 CB LYS A 46 -0.823 1.010 -17.486 1.00 0.00 C ATOM 674 CG LYS A 46 -1.376 2.404 -17.146 1.00 0.00 C ATOM 675 CD LYS A 46 -0.922 3.492 -18.131 1.00 0.00 C ATOM 676 CE LYS A 46 -1.082 4.875 -17.496 1.00 0.00 C ATOM 677 NZ LYS A 46 -0.607 5.937 -18.399 1.00 0.00 N ATOM 0 H LYS A 46 0.328 -1.116 -17.777 1.00 0.00 H new ATOM 0 HA LYS A 46 1.152 1.565 -18.096 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.114 0.754 -18.505 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.288 0.276 -16.828 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.465 2.363 -17.136 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.058 2.678 -16.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.119 3.330 -18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.510 3.433 -19.047 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.130 5.046 -17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.525 4.914 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.728 6.863 -17.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.399 5.786 -18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.156 5.913 -19.282 1.00 0.00 H new ATOM 691 N GLN A 47 1.657 2.565 -15.891 1.00 0.00 N ATOM 692 CA GLN A 47 2.153 3.153 -14.663 1.00 0.00 C ATOM 693 C GLN A 47 0.972 3.399 -13.721 1.00 0.00 C ATOM 694 O GLN A 47 0.376 4.480 -13.696 1.00 0.00 O ATOM 695 CB GLN A 47 2.983 4.419 -14.953 1.00 0.00 C ATOM 696 CG GLN A 47 2.326 5.475 -15.871 1.00 0.00 C ATOM 697 CD GLN A 47 3.315 6.521 -16.382 1.00 0.00 C ATOM 698 OE1 GLN A 47 3.110 7.726 -16.241 1.00 0.00 O ATOM 699 NE2 GLN A 47 4.371 6.083 -17.044 1.00 0.00 N ATOM 0 H GLN A 47 1.685 3.204 -16.686 1.00 0.00 H new ATOM 0 HA GLN A 47 2.837 2.468 -14.163 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.224 4.895 -14.002 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.927 4.113 -15.405 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.865 4.973 -16.722 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.526 5.976 -15.325 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.526 5.081 -17.151 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.032 6.747 -17.448 1.00 0.00 H new ATOM 708 N GLU A 48 0.607 2.385 -12.952 1.00 0.00 N ATOM 709 CA GLU A 48 -0.484 2.396 -12.000 1.00 0.00 C ATOM 710 C GLU A 48 -0.077 1.471 -10.860 1.00 0.00 C ATOM 711 O GLU A 48 0.389 0.364 -11.127 1.00 0.00 O ATOM 712 CB GLU A 48 -1.749 1.905 -12.726 1.00 0.00 C ATOM 713 CG GLU A 48 -2.937 1.775 -11.779 1.00 0.00 C ATOM 714 CD GLU A 48 -4.230 1.452 -12.514 1.00 0.00 C ATOM 715 OE1 GLU A 48 -4.295 0.437 -13.250 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.194 2.234 -12.353 1.00 0.00 O ATOM 0 H GLU A 48 1.091 1.488 -12.979 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.695 3.386 -11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.999 2.599 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.549 0.940 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.732 0.993 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.060 2.705 -11.224 1.00 0.00 H new ATOM 723 N TYR A 49 -0.217 1.913 -9.612 1.00 0.00 N ATOM 724 CA TYR A 49 0.121 1.134 -8.432 1.00 0.00 C ATOM 725 C TYR A 49 -1.179 0.610 -7.837 1.00 0.00 C ATOM 726 O TYR A 49 -2.148 1.347 -7.673 1.00 0.00 O ATOM 727 CB TYR A 49 0.894 2.001 -7.436 1.00 0.00 C ATOM 728 CG TYR A 49 2.217 2.520 -7.960 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.238 1.630 -8.349 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.415 3.906 -8.086 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.447 2.130 -8.866 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.631 4.410 -8.572 1.00 0.00 C ATOM 733 CZ TYR A 49 4.654 3.521 -8.966 1.00 0.00 C ATOM 734 OH TYR A 49 5.837 3.994 -9.435 1.00 0.00 O ATOM 0 H TYR A 49 -0.576 2.842 -9.393 1.00 0.00 H new ATOM 0 HA TYR A 49 0.766 0.293 -8.687 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.272 2.849 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.077 1.421 -6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.092 0.564 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.625 4.588 -7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.219 1.446 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.784 5.477 -8.644 1.00 0.00 H new ATOM 0 HH TYR A 49 5.818 4.974 -9.442 1.00 0.00 H new ATOM 744 N VAL A 50 -1.182 -0.652 -7.436 1.00 0.00 N ATOM 745 CA VAL A 50 -2.328 -1.336 -6.873 1.00 0.00 C ATOM 746 C VAL A 50 -2.014 -1.717 -5.436 1.00 0.00 C ATOM 747 O VAL A 50 -1.050 -2.444 -5.180 1.00 0.00 O ATOM 748 CB VAL A 50 -2.606 -2.581 -7.727 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.841 -3.328 -7.212 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.758 -2.258 -9.219 1.00 0.00 C ATOM 0 H VAL A 50 -0.355 -1.246 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.212 -0.698 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.732 -3.226 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.019 -4.207 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.674 -3.639 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.709 -2.670 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.953 -3.177 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.589 -1.567 -9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.840 -1.801 -9.588 1.00 0.00 H new ATOM 760 N LEU A 51 -2.782 -1.166 -4.497 1.00 0.00 N ATOM 761 CA LEU A 51 -2.618 -1.464 -3.081 1.00 0.00 C ATOM 762 C LEU A 51 -3.283 -2.815 -2.885 1.00 0.00 C ATOM 763 O LEU A 51 -4.489 -2.934 -3.125 1.00 0.00 O ATOM 764 CB LEU A 51 -3.319 -0.401 -2.230 1.00 0.00 C ATOM 765 CG LEU A 51 -3.283 -0.662 -0.716 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.862 -0.747 -0.158 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.055 0.445 0.010 1.00 0.00 C ATOM 0 H LEU A 51 -3.531 -0.504 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.570 -1.473 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.857 0.566 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.359 -0.329 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.749 -1.632 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.903 -0.933 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.327 -1.561 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.341 0.192 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.030 0.261 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.595 1.410 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.090 0.452 -0.333 1.00 0.00 H new ATOM 779 N SER A 52 -2.533 -3.843 -2.509 1.00 0.00 N ATOM 780 CA SER A 52 -3.097 -5.152 -2.300 1.00 0.00 C ATOM 781 C SER A 52 -3.046 -5.404 -0.801 1.00 0.00 C ATOM 782 O SER A 52 -1.963 -5.335 -0.235 1.00 0.00 O ATOM 783 CB SER A 52 -2.278 -6.151 -3.129 1.00 0.00 C ATOM 784 OG SER A 52 -3.105 -7.160 -3.645 1.00 0.00 O ATOM 0 H SER A 52 -1.528 -3.785 -2.344 1.00 0.00 H new ATOM 0 HA SER A 52 -4.133 -5.252 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.778 -5.630 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.499 -6.594 -2.509 1.00 0.00 H new ATOM 0 HG SER A 52 -3.791 -6.759 -4.219 1.00 0.00 H new ATOM 790 N VAL A 53 -4.181 -5.606 -0.130 1.00 0.00 N ATOM 791 CA VAL A 53 -4.212 -5.914 1.311 1.00 0.00 C ATOM 792 C VAL A 53 -5.023 -7.207 1.501 1.00 0.00 C ATOM 793 O VAL A 53 -5.633 -7.672 0.539 1.00 0.00 O ATOM 794 CB VAL A 53 -4.627 -4.711 2.206 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.547 -3.337 1.538 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.970 -4.830 2.870 1.00 0.00 C ATOM 0 H VAL A 53 -5.104 -5.562 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.202 -6.099 1.676 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.854 -4.772 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.857 -2.569 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.522 -3.146 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.205 -3.316 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.160 -3.939 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.745 -4.928 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.981 -5.709 3.514 1.00 0.00 H new ATOM 806 N LEU A 54 -5.040 -7.826 2.682 1.00 0.00 N ATOM 807 CA LEU A 54 -5.790 -9.050 2.971 1.00 0.00 C ATOM 808 C LEU A 54 -6.778 -8.726 4.077 1.00 0.00 C ATOM 809 O LEU A 54 -6.421 -8.019 5.020 1.00 0.00 O ATOM 810 CB LEU A 54 -4.836 -10.197 3.362 1.00 0.00 C ATOM 811 CG LEU A 54 -5.539 -11.476 3.864 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.448 -12.091 2.795 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.522 -12.536 4.284 1.00 0.00 C ATOM 0 H LEU A 54 -4.518 -7.480 3.487 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.330 -9.394 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.222 -10.451 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.160 -9.841 4.140 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.142 -11.171 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.922 -12.989 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.216 -11.371 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.854 -12.352 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.047 -13.425 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.894 -12.796 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.898 -12.144 5.087 1.00 0.00 H new ATOM 825 N TRP A 55 -8.026 -9.185 3.956 1.00 0.00 N ATOM 826 CA TRP A 55 -9.035 -8.941 4.968 1.00 0.00 C ATOM 827 C TRP A 55 -10.196 -9.903 4.786 1.00 0.00 C ATOM 828 O TRP A 55 -10.686 -10.059 3.660 1.00 0.00 O ATOM 829 CB TRP A 55 -9.567 -7.520 4.823 1.00 0.00 C ATOM 830 CG TRP A 55 -10.239 -7.004 6.050 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.555 -7.103 6.337 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.630 -6.343 7.194 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.804 -6.476 7.539 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.657 -5.970 8.107 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.309 -6.021 7.553 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.390 -5.270 9.294 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.027 -5.343 8.750 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.061 -4.946 9.612 1.00 0.00 C ATOM 0 H TRP A 55 -8.355 -9.730 3.159 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.585 -9.082 5.951 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.741 -6.857 4.565 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.272 -7.488 3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.294 -7.595 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.730 -6.396 7.959 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.498 -6.300 6.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.196 -4.984 9.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.002 -5.124 9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.836 -4.395 10.513 1.00 0.00 H new ATOM 849 N ASP A 56 -10.720 -10.444 5.888 1.00 0.00 N ATOM 850 CA ASP A 56 -11.844 -11.383 5.866 1.00 0.00 C ATOM 851 C ASP A 56 -11.520 -12.554 4.919 1.00 0.00 C ATOM 852 O ASP A 56 -12.328 -12.972 4.083 1.00 0.00 O ATOM 853 CB ASP A 56 -13.142 -10.589 5.616 1.00 0.00 C ATOM 854 CG ASP A 56 -14.395 -11.422 5.361 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.664 -12.411 6.071 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.157 -11.030 4.443 1.00 0.00 O ATOM 0 H ASP A 56 -10.375 -10.242 6.826 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.014 -11.879 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.325 -9.948 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.985 -9.933 4.760 1.00 0.00 H new ATOM 861 N GLY A 57 -10.273 -13.039 5.026 1.00 0.00 N ATOM 862 CA GLY A 57 -9.719 -14.146 4.266 1.00 0.00 C ATOM 863 C GLY A 57 -9.812 -13.980 2.752 1.00 0.00 C ATOM 864 O GLY A 57 -9.948 -14.992 2.061 1.00 0.00 O ATOM 0 H GLY A 57 -9.598 -12.643 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.672 -14.272 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.237 -15.062 4.551 1.00 0.00 H new ATOM 868 N LEU A 58 -9.777 -12.745 2.236 1.00 0.00 N ATOM 869 CA LEU A 58 -9.860 -12.449 0.809 1.00 0.00 C ATOM 870 C LEU A 58 -8.969 -11.236 0.491 1.00 0.00 C ATOM 871 O LEU A 58 -9.198 -10.165 1.063 1.00 0.00 O ATOM 872 CB LEU A 58 -11.336 -12.200 0.457 1.00 0.00 C ATOM 873 CG LEU A 58 -11.663 -12.200 -1.048 1.00 0.00 C ATOM 874 CD1 LEU A 58 -13.159 -12.465 -1.230 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.346 -10.871 -1.732 1.00 0.00 C ATOM 0 H LEU A 58 -9.688 -11.910 2.815 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.499 -13.282 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.942 -12.964 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.636 -11.240 0.877 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.044 -12.973 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.401 -12.467 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.412 -13.433 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.731 -11.684 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.599 -10.937 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.929 -10.075 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.284 -10.652 -1.626 1.00 0.00 H new ATOM 887 N PRO A 59 -7.944 -11.363 -0.371 1.00 0.00 N ATOM 888 CA PRO A 59 -7.060 -10.263 -0.741 1.00 0.00 C ATOM 889 C PRO A 59 -7.812 -9.200 -1.545 1.00 0.00 C ATOM 890 O PRO A 59 -8.352 -9.461 -2.621 1.00 0.00 O ATOM 891 CB PRO A 59 -5.896 -10.881 -1.499 1.00 0.00 C ATOM 892 CG PRO A 59 -6.405 -12.229 -1.988 1.00 0.00 C ATOM 893 CD PRO A 59 -7.580 -12.578 -1.081 1.00 0.00 C ATOM 0 HA PRO A 59 -6.683 -9.734 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.591 -10.250 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.025 -11.000 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.718 -12.175 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.625 -12.988 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.421 -12.950 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.305 -13.367 -0.380 1.00 0.00 H new ATOM 901 N ARG A 60 -7.887 -7.997 -0.982 1.00 0.00 N ATOM 902 CA ARG A 60 -8.555 -6.828 -1.515 1.00 0.00 C ATOM 903 C ARG A 60 -7.605 -5.967 -2.343 1.00 0.00 C ATOM 904 O ARG A 60 -6.605 -5.483 -1.809 1.00 0.00 O ATOM 905 CB ARG A 60 -9.088 -5.992 -0.337 1.00 0.00 C ATOM 906 CG ARG A 60 -9.863 -6.749 0.753 1.00 0.00 C ATOM 907 CD ARG A 60 -11.101 -7.445 0.194 1.00 0.00 C ATOM 908 NE ARG A 60 -11.693 -8.362 1.177 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.938 -8.845 1.127 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.761 -8.489 0.139 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.319 -9.695 2.075 1.00 0.00 N ATOM 0 H ARG A 60 -7.451 -7.807 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.366 -7.158 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.243 -5.490 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.738 -5.214 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.209 -7.488 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.161 -6.052 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.839 -6.698 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.833 -7.998 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.107 -8.653 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.441 -7.845 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.710 -8.861 0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.667 -9.961 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.263 -10.081 2.064 1.00 0.00 H new ATOM 925 N HIS A 61 -7.894 -5.776 -3.631 1.00 0.00 N ATOM 926 CA HIS A 61 -7.082 -4.931 -4.504 1.00 0.00 C ATOM 927 C HIS A 61 -7.768 -3.569 -4.588 1.00 0.00 C ATOM 928 O HIS A 61 -8.921 -3.511 -5.027 1.00 0.00 O ATOM 929 CB HIS A 61 -6.993 -5.512 -5.920 1.00 0.00 C ATOM 930 CG HIS A 61 -6.350 -6.865 -5.996 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.139 -7.223 -5.463 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.876 -7.966 -6.607 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.931 -8.518 -5.732 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.941 -9.001 -6.474 1.00 0.00 N ATOM 0 H HIS A 61 -8.696 -6.202 -4.096 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.073 -4.861 -4.098 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.998 -5.577 -6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.432 -4.821 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.834 -8.028 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.077 -9.090 -5.401 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.013 -9.940 -6.865 1.00 0.00 H new ATOM 942 N PHE A 62 -7.091 -2.488 -4.200 1.00 0.00 N ATOM 943 CA PHE A 62 -7.612 -1.131 -4.249 1.00 0.00 C ATOM 944 C PHE A 62 -6.861 -0.382 -5.346 1.00 0.00 C ATOM 945 O PHE A 62 -5.640 -0.228 -5.274 1.00 0.00 O ATOM 946 CB PHE A 62 -7.467 -0.443 -2.889 1.00 0.00 C ATOM 947 CG PHE A 62 -8.204 -1.156 -1.783 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.554 -0.851 -1.556 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.563 -2.134 -0.998 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.279 -1.527 -0.562 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.282 -2.792 0.009 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.640 -2.502 0.220 1.00 0.00 C ATOM 0 H PHE A 62 -6.140 -2.539 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.678 -1.139 -4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.410 -0.380 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.838 0.579 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.039 -0.091 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.525 -2.375 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.322 -1.298 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.788 -3.527 0.627 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.192 -3.029 0.984 1.00 0.00 H new ATOM 962 N ILE A 63 -7.596 0.016 -6.383 1.00 0.00 N ATOM 963 CA ILE A 63 -7.083 0.756 -7.530 1.00 0.00 C ATOM 964 C ILE A 63 -6.783 2.161 -7.015 1.00 0.00 C ATOM 965 O ILE A 63 -7.726 2.879 -6.662 1.00 0.00 O ATOM 966 CB ILE A 63 -8.145 0.821 -8.661 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.672 -0.550 -9.109 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.624 1.577 -9.899 1.00 0.00 C ATOM 969 CD1 ILE A 63 -10.108 -0.492 -9.644 1.00 0.00 C ATOM 0 H ILE A 63 -8.596 -0.175 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.198 0.276 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.976 1.365 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.017 -0.950 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.631 -1.242 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.399 1.598 -10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.363 2.597 -9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.741 1.071 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.425 -1.491 -9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.772 -0.120 -8.864 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.149 0.176 -10.504 1.00 0.00 H new ATOM 981 N ILE A 64 -5.509 2.526 -6.872 1.00 0.00 N ATOM 982 CA ILE A 64 -5.109 3.850 -6.426 1.00 0.00 C ATOM 983 C ILE A 64 -5.592 4.825 -7.499 1.00 0.00 C ATOM 984 O ILE A 64 -5.009 4.913 -8.587 1.00 0.00 O ATOM 985 CB ILE A 64 -3.579 3.940 -6.208 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.208 3.090 -4.974 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.071 5.380 -5.986 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.708 3.032 -4.683 1.00 0.00 C ATOM 0 H ILE A 64 -4.724 1.903 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.551 4.089 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.104 3.572 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.721 3.493 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.578 2.075 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.991 5.366 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.312 5.989 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.551 5.803 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.532 2.416 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.188 2.599 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.333 4.039 -4.502 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.690 5.521 -7.216 1.00 0.00 N ATOM 1001 CA GLN A 65 -7.245 6.514 -8.115 1.00 0.00 C ATOM 1002 C GLN A 65 -6.237 7.668 -8.196 1.00 0.00 C ATOM 1003 O GLN A 65 -5.332 7.788 -7.359 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.605 7.011 -7.592 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.629 5.891 -7.359 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.922 5.077 -8.614 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -10.372 5.583 -9.636 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.682 3.783 -8.573 1.00 0.00 N ATOM 0 H GLN A 65 -7.218 5.407 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.415 6.089 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.449 7.548 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.018 7.725 -8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.259 5.225 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.558 6.327 -6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.308 3.360 -7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.870 3.203 -9.391 1.00 0.00 H new ATOM 1017 N SER A 66 -6.397 8.515 -9.202 1.00 0.00 N ATOM 1018 CA SER A 66 -5.563 9.671 -9.460 1.00 0.00 C ATOM 1019 C SER A 66 -6.546 10.776 -9.815 1.00 0.00 C ATOM 1020 O SER A 66 -7.252 10.653 -10.818 1.00 0.00 O ATOM 1021 CB SER A 66 -4.563 9.337 -10.576 1.00 0.00 C ATOM 1022 OG SER A 66 -5.168 8.623 -11.650 1.00 0.00 O ATOM 0 H SER A 66 -7.144 8.408 -9.888 1.00 0.00 H new ATOM 0 HA SER A 66 -4.947 9.983 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.126 10.260 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.746 8.744 -10.163 1.00 0.00 H new ATOM 0 HG SER A 66 -6.067 8.978 -11.814 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.670 11.797 -8.969 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.584 12.915 -9.166 1.00 0.00 C ATOM 1030 C LEU A 67 -6.928 14.131 -8.529 1.00 0.00 C ATOM 1031 O LEU A 67 -6.353 14.007 -7.448 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.922 12.577 -8.477 1.00 0.00 C ATOM 1033 CG LEU A 67 -10.150 13.390 -8.936 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -11.405 12.781 -8.305 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.123 14.872 -8.556 1.00 0.00 C ATOM 0 H LEU A 67 -6.125 11.869 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.785 13.112 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.132 11.520 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.800 12.719 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.143 13.340 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.282 13.346 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.507 11.744 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.321 12.819 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.027 15.358 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.073 14.969 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.250 15.347 -9.004 1.00 0.00 H new ATOM 1047 N ASP A 68 -7.002 15.286 -9.184 1.00 0.00 N ATOM 1048 CA ASP A 68 -6.440 16.557 -8.715 1.00 0.00 C ATOM 1049 C ASP A 68 -4.927 16.439 -8.497 1.00 0.00 C ATOM 1050 O ASP A 68 -4.338 17.140 -7.680 1.00 0.00 O ATOM 1051 CB ASP A 68 -7.202 17.051 -7.462 1.00 0.00 C ATOM 1052 CG ASP A 68 -7.589 18.524 -7.545 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.720 19.381 -7.830 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -8.792 18.814 -7.331 1.00 0.00 O ATOM 0 H ASP A 68 -7.470 15.370 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.575 17.317 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.102 16.451 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.582 16.893 -6.580 1.00 0.00 H new ATOM 1059 N ASN A 69 -4.288 15.537 -9.251 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.864 15.216 -9.207 1.00 0.00 C ATOM 1061 C ASN A 69 -2.450 14.610 -7.867 1.00 0.00 C ATOM 1062 O ASN A 69 -1.260 14.566 -7.570 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.961 16.384 -9.656 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.825 16.412 -11.164 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -2.327 17.316 -11.823 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -1.157 15.424 -11.730 1.00 0.00 N ATOM 0 H ASN A 69 -4.784 14.981 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.704 14.438 -9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.380 17.328 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.976 16.284 -9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.047 15.398 -12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.751 14.687 -11.154 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.392 14.113 -7.061 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.148 13.484 -5.771 1.00 0.00 C ATOM 1075 C LEU A 70 -3.737 12.073 -5.824 1.00 0.00 C ATOM 1076 O LEU A 70 -4.587 11.777 -6.673 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.800 14.311 -4.641 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.840 15.315 -3.969 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.385 16.455 -4.883 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.486 15.924 -2.730 1.00 0.00 C ATOM 0 H LEU A 70 -4.382 14.141 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.079 13.434 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.653 14.855 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.188 13.630 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.956 14.732 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.713 17.115 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.863 16.043 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.254 17.020 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.795 16.630 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.400 16.445 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.726 15.134 -2.019 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.281 11.184 -4.944 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.777 9.816 -4.838 1.00 0.00 C ATOM 1094 C TYR A 71 -4.590 9.745 -3.544 1.00 0.00 C ATOM 1095 O TYR A 71 -4.084 10.179 -2.507 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.610 8.826 -4.790 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.582 8.980 -5.893 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.948 8.916 -7.252 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.245 9.219 -5.542 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.981 9.110 -8.259 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.718 9.444 -6.538 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.360 9.394 -7.906 1.00 0.00 C ATOM 1103 OH TYR A 71 1.297 9.655 -8.859 1.00 0.00 O ATOM 0 H TYR A 71 -2.543 11.399 -4.273 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.389 9.554 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.106 8.931 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.012 7.814 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.974 8.717 -7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.044 9.230 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.263 9.042 -9.299 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.739 9.657 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 71 2.161 9.829 -8.430 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.842 9.283 -3.613 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.782 9.125 -2.489 1.00 0.00 C ATOM 1115 C ARG A 72 -7.758 7.983 -2.777 1.00 0.00 C ATOM 1116 O ARG A 72 -7.888 7.589 -3.941 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.555 10.428 -2.215 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.301 11.008 -3.420 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.066 12.268 -3.022 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.784 12.880 -4.156 1.00 0.00 N ATOM 1121 CZ ARG A 72 -10.417 14.061 -4.087 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -10.454 14.736 -2.943 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -11.016 14.578 -5.153 1.00 0.00 N ATOM 0 H ARG A 72 -6.253 8.992 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.202 8.886 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.274 10.244 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.854 11.177 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.593 11.242 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.993 10.266 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.780 12.022 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.369 12.994 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.800 12.377 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.000 14.357 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.936 15.633 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.999 14.076 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.493 15.477 -5.084 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.452 7.460 -1.763 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.405 6.357 -1.935 1.00 0.00 C ATOM 1139 C LEU A 73 -10.744 6.651 -1.256 1.00 0.00 C ATOM 1140 O LEU A 73 -11.789 6.374 -1.847 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.791 5.030 -1.439 1.00 0.00 C ATOM 1142 CG LEU A 73 -9.028 3.802 -2.337 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -10.499 3.580 -2.705 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.186 3.874 -3.613 1.00 0.00 C ATOM 0 H LEU A 73 -8.370 7.788 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.612 6.255 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.716 5.170 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.192 4.814 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.715 2.947 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.586 2.697 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.083 3.434 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.875 4.451 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.377 2.992 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.452 4.770 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.129 3.911 -3.350 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.733 7.172 -0.028 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.938 7.524 0.732 1.00 0.00 C ATOM 1158 C GLU A 74 -11.658 8.848 1.436 1.00 0.00 C ATOM 1159 O GLU A 74 -12.445 9.783 1.309 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.348 6.404 1.709 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.859 6.348 2.005 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.458 7.593 2.669 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.165 7.855 3.861 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.285 8.260 2.012 1.00 0.00 O ATOM 0 H GLU A 74 -9.869 7.366 0.478 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.792 7.638 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.034 5.445 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.810 6.540 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.387 6.170 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.052 5.489 2.647 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.535 8.949 2.151 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.132 10.162 2.848 1.00 0.00 C ATOM 1173 C GLY A 75 -9.441 11.121 1.876 1.00 0.00 C ATOM 1174 O GLY A 75 -9.709 11.110 0.667 1.00 0.00 O ATOM 0 H GLY A 75 -9.875 8.179 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.004 10.644 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.457 9.913 3.667 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.608 12.005 2.418 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.831 13.000 1.680 1.00 0.00 C ATOM 1180 C GLU A 76 -6.746 12.295 0.853 1.00 0.00 C ATOM 1181 O GLU A 76 -6.565 11.076 0.952 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.225 14.007 2.679 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.145 15.208 2.957 1.00 0.00 C ATOM 1184 CD GLU A 76 -9.590 14.830 3.307 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.807 14.044 4.256 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -10.516 15.307 2.614 1.00 0.00 O ATOM 0 H GLU A 76 -8.448 12.051 3.424 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.471 13.548 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.012 13.495 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.273 14.368 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.725 15.790 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.154 15.855 2.080 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.030 13.047 0.014 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.975 12.513 -0.821 1.00 0.00 C ATOM 1195 C GLY A 77 -3.634 13.127 -0.506 1.00 0.00 C ATOM 1196 O GLY A 77 -3.523 14.061 0.295 1.00 0.00 O ATOM 0 H GLY A 77 -6.175 14.050 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.919 11.433 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.217 12.691 -1.869 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.606 12.613 -1.175 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.245 13.081 -0.994 1.00 0.00 C ATOM 1202 C PHE A 78 -0.469 13.106 -2.315 1.00 0.00 C ATOM 1203 O PHE A 78 -0.815 12.361 -3.241 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.558 12.191 0.042 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.953 12.435 1.494 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.087 11.803 2.040 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.169 13.267 2.322 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.416 11.965 3.397 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.483 13.413 3.685 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.603 12.758 4.224 1.00 0.00 C ATOM 0 H PHE A 78 -2.698 11.860 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.265 14.110 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.771 11.150 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.520 12.326 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.711 11.187 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.677 13.794 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.292 11.481 3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.138 14.029 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.839 12.864 5.273 1.00 0.00 H new ATOM 1220 N PRO A 79 0.611 13.913 -2.396 1.00 0.00 N ATOM 1221 CA PRO A 79 1.455 14.058 -3.586 1.00 0.00 C ATOM 1222 C PRO A 79 2.259 12.800 -3.943 1.00 0.00 C ATOM 1223 O PRO A 79 2.939 12.781 -4.971 1.00 0.00 O ATOM 1224 CB PRO A 79 2.378 15.245 -3.290 1.00 0.00 C ATOM 1225 CG PRO A 79 2.484 15.243 -1.769 1.00 0.00 C ATOM 1226 CD PRO A 79 1.081 14.826 -1.356 1.00 0.00 C ATOM 0 HA PRO A 79 0.830 14.221 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.354 15.122 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.960 16.181 -3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.239 14.542 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.750 16.225 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.090 14.337 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.425 15.692 -1.272 1.00 0.00 H new ATOM 1234 N SER A 80 2.229 11.760 -3.105 1.00 0.00 N ATOM 1235 CA SER A 80 2.935 10.516 -3.375 1.00 0.00 C ATOM 1236 C SER A 80 2.208 9.382 -2.661 1.00 0.00 C ATOM 1237 O SER A 80 1.410 9.623 -1.750 1.00 0.00 O ATOM 1238 CB SER A 80 4.399 10.605 -2.922 1.00 0.00 C ATOM 1239 OG SER A 80 5.240 9.789 -3.712 1.00 0.00 O ATOM 0 H SER A 80 1.715 11.762 -2.224 1.00 0.00 H new ATOM 0 HA SER A 80 2.944 10.325 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.736 11.640 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.476 10.304 -1.877 1.00 0.00 H new ATOM 0 HG SER A 80 6.165 9.871 -3.398 1.00 0.00 H new ATOM 1245 N ILE A 81 2.478 8.145 -3.075 1.00 0.00 N ATOM 1246 CA ILE A 81 1.883 6.958 -2.493 1.00 0.00 C ATOM 1247 C ILE A 81 2.361 6.769 -1.041 1.00 0.00 C ATOM 1248 O ILE A 81 1.489 6.578 -0.197 1.00 0.00 O ATOM 1249 CB ILE A 81 2.119 5.716 -3.389 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.316 5.811 -4.709 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.689 4.406 -2.699 1.00 0.00 C ATOM 1252 CD1 ILE A 81 1.989 6.587 -5.834 1.00 0.00 C ATOM 0 H ILE A 81 3.127 7.944 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 81 0.802 7.089 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 81 3.191 5.701 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.110 4.800 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.354 6.277 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.874 3.565 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.262 4.273 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.626 4.452 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.342 6.592 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.170 7.612 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.938 6.113 -6.086 1.00 0.00 H new ATOM 1264 N PRO A 82 3.666 6.848 -0.683 1.00 0.00 N ATOM 1265 CA PRO A 82 4.079 6.639 0.707 1.00 0.00 C ATOM 1266 C PRO A 82 3.459 7.650 1.655 1.00 0.00 C ATOM 1267 O PRO A 82 3.114 7.295 2.776 1.00 0.00 O ATOM 1268 CB PRO A 82 5.610 6.681 0.737 1.00 0.00 C ATOM 1269 CG PRO A 82 5.974 7.425 -0.536 1.00 0.00 C ATOM 1270 CD PRO A 82 4.848 7.076 -1.507 1.00 0.00 C ATOM 0 HA PRO A 82 3.721 5.672 1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.979 7.198 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.038 5.679 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.035 8.500 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.944 7.108 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.679 7.886 -2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.095 6.188 -2.089 1.00 0.00 H new ATOM 1278 N LEU A 83 3.274 8.885 1.188 1.00 0.00 N ATOM 1279 CA LEU A 83 2.674 9.951 1.967 1.00 0.00 C ATOM 1280 C LEU A 83 1.253 9.541 2.397 1.00 0.00 C ATOM 1281 O LEU A 83 0.829 9.842 3.512 1.00 0.00 O ATOM 1282 CB LEU A 83 2.659 11.230 1.108 1.00 0.00 C ATOM 1283 CG LEU A 83 3.854 12.189 1.200 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.023 12.678 2.631 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.171 11.607 0.688 1.00 0.00 C ATOM 0 H LEU A 83 3.542 9.169 0.246 1.00 0.00 H new ATOM 0 HA LEU A 83 3.250 10.141 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.556 10.928 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.762 11.793 1.367 1.00 0.00 H new ATOM 0 HG LEU A 83 3.618 13.021 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.873 13.358 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.120 13.201 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.197 11.826 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.961 12.351 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.428 10.722 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.064 11.333 -0.361 1.00 0.00 H new ATOM 1297 N LEU A 84 0.511 8.868 1.509 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.846 8.393 1.764 1.00 0.00 C ATOM 1299 C LEU A 84 -0.800 7.146 2.636 1.00 0.00 C ATOM 1300 O LEU A 84 -1.478 7.112 3.656 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.568 8.165 0.426 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.009 7.604 0.434 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.076 6.081 0.610 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.928 8.326 1.424 1.00 0.00 C ATOM 0 H LEU A 84 0.848 8.636 0.575 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.417 9.141 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.590 9.118 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.955 7.486 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.390 7.813 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.118 5.760 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.544 5.596 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.614 5.804 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.925 7.886 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.528 8.224 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.986 9.383 1.162 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.018 6.127 2.260 1.00 0.00 N ATOM 1317 CA ILE A 85 0.107 4.886 3.021 1.00 0.00 C ATOM 1318 C ILE A 85 0.425 5.215 4.482 1.00 0.00 C ATOM 1319 O ILE A 85 -0.243 4.691 5.372 1.00 0.00 O ATOM 1320 CB ILE A 85 1.151 3.946 2.365 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.738 3.475 0.948 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.488 2.717 3.230 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.589 2.712 0.854 1.00 0.00 C ATOM 0 H ILE A 85 0.549 6.144 1.412 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.838 4.342 3.009 1.00 0.00 H new ATOM 0 HB ILE A 85 2.046 4.561 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.679 4.349 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.529 2.838 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.224 2.100 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.896 3.046 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.583 2.134 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.775 2.433 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.536 1.813 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.400 3.347 1.210 1.00 0.00 H new ATOM 1335 N ASP A 86 1.398 6.096 4.738 1.00 0.00 N ATOM 1336 CA ASP A 86 1.764 6.466 6.100 1.00 0.00 C ATOM 1337 C ASP A 86 0.566 7.008 6.858 1.00 0.00 C ATOM 1338 O ASP A 86 0.425 6.667 8.031 1.00 0.00 O ATOM 1339 CB ASP A 86 2.881 7.502 6.140 1.00 0.00 C ATOM 1340 CG ASP A 86 3.291 7.822 7.587 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.017 6.999 8.197 1.00 0.00 O ATOM 1342 OD2 ASP A 86 2.945 8.895 8.125 1.00 0.00 O ATOM 0 H ASP A 86 1.944 6.564 4.015 1.00 0.00 H new ATOM 0 HA ASP A 86 2.122 5.553 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.745 7.131 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.552 8.414 5.642 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.287 7.820 6.213 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.461 8.369 6.871 1.00 0.00 C ATOM 1349 C HIS A 87 -2.372 7.242 7.349 1.00 0.00 C ATOM 1350 O HIS A 87 -2.766 7.264 8.509 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.224 9.339 5.954 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.492 9.873 6.578 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.625 11.046 7.286 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.719 9.264 6.562 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.907 11.151 7.675 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.607 10.082 7.266 1.00 0.00 N ATOM 0 H HIS A 87 -0.177 8.104 5.240 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.125 8.940 7.737 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.573 10.175 5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.471 8.830 5.022 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.882 11.717 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.957 8.322 6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.316 11.978 8.237 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.709 6.267 6.497 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.597 5.162 6.881 1.00 0.00 C ATOM 1366 C LEU A 88 -2.992 4.335 7.998 1.00 0.00 C ATOM 1367 O LEU A 88 -3.703 3.914 8.904 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.914 4.211 5.713 1.00 0.00 C ATOM 1369 CG LEU A 88 -4.988 4.741 4.755 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.467 5.943 3.980 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.360 3.653 3.744 1.00 0.00 C ATOM 0 H LEU A 88 -2.379 6.220 5.533 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.521 5.638 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.999 4.025 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.241 3.253 6.116 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.856 5.030 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.243 6.305 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.194 6.735 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.591 5.651 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.123 4.033 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.476 3.369 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.746 2.782 4.273 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.691 4.072 7.927 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.003 3.285 8.940 1.00 0.00 C ATOM 1385 C LEU A 89 -0.982 4.040 10.272 1.00 0.00 C ATOM 1386 O LEU A 89 -1.124 3.423 11.326 1.00 0.00 O ATOM 1387 CB LEU A 89 0.418 2.952 8.447 1.00 0.00 C ATOM 1388 CG LEU A 89 0.570 1.602 7.721 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.262 0.395 8.608 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.240 1.576 6.438 1.00 0.00 C ATOM 0 H LEU A 89 -1.089 4.397 7.170 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.534 2.348 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.745 3.745 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.092 2.962 9.303 1.00 0.00 H new ATOM 0 HG LEU A 89 1.625 1.513 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.389 -0.522 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.943 0.386 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.766 0.459 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.113 0.611 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.294 1.730 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.105 2.369 5.774 1.00 0.00 H new ATOM 1402 N SER A 90 -0.846 5.362 10.219 1.00 0.00 N ATOM 1403 CA SER A 90 -0.805 6.269 11.349 1.00 0.00 C ATOM 1404 C SER A 90 -2.191 6.382 12.000 1.00 0.00 C ATOM 1405 O SER A 90 -2.315 6.154 13.205 1.00 0.00 O ATOM 1406 CB SER A 90 -0.252 7.593 10.795 1.00 0.00 C ATOM 1407 OG SER A 90 -0.017 8.625 11.723 1.00 0.00 O ATOM 0 H SER A 90 -0.756 5.853 9.329 1.00 0.00 H new ATOM 0 HA SER A 90 -0.161 5.921 12.156 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.685 7.380 10.281 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.950 7.964 10.045 1.00 0.00 H new ATOM 0 HG SER A 90 0.333 9.412 11.255 1.00 0.00 H new ATOM 1413 N THR A 91 -3.243 6.689 11.234 1.00 0.00 N ATOM 1414 CA THR A 91 -4.599 6.843 11.756 1.00 0.00 C ATOM 1415 C THR A 91 -5.322 5.524 12.007 1.00 0.00 C ATOM 1416 O THR A 91 -6.181 5.476 12.885 1.00 0.00 O ATOM 1417 CB THR A 91 -5.441 7.712 10.805 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.483 7.168 9.503 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.883 9.129 10.688 1.00 0.00 C ATOM 0 H THR A 91 -3.174 6.838 10.227 1.00 0.00 H new ATOM 0 HA THR A 91 -4.488 7.328 12.726 1.00 0.00 H new ATOM 0 HB THR A 91 -6.442 7.737 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.619 7.307 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.506 9.710 10.008 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.880 9.601 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.864 9.088 10.302 1.00 0.00 H new ATOM 1427 N GLN A 92 -4.937 4.430 11.342 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.584 3.119 11.466 1.00 0.00 C ATOM 1429 C GLN A 92 -7.058 3.234 11.038 1.00 0.00 C ATOM 1430 O GLN A 92 -7.940 2.544 11.568 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.358 2.481 12.855 1.00 0.00 C ATOM 1432 CG GLN A 92 -3.897 2.066 13.058 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.539 0.862 12.190 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.128 -0.207 12.307 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -2.572 1.006 11.305 1.00 0.00 N ATOM 0 H GLN A 92 -4.152 4.430 10.690 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.113 2.412 10.783 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.646 3.189 13.632 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.002 1.609 12.964 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.242 2.902 12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.727 1.824 14.107 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.090 1.901 11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.306 0.223 10.708 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.318 4.143 10.093 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.637 4.396 9.548 1.00 0.00 C ATOM 1446 C GLN A 93 -9.033 3.254 8.609 1.00 0.00 C ATOM 1447 O GLN A 93 -8.158 2.659 7.967 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.649 5.727 8.765 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.779 5.764 7.488 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.046 6.949 6.558 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.990 6.809 5.336 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.317 8.135 7.071 1.00 0.00 N ATOM 0 H GLN A 93 -6.594 4.732 9.682 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.349 4.461 10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.678 5.954 8.487 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.316 6.522 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.730 5.781 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.939 4.841 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.364 8.254 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.479 8.932 6.455 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.330 2.949 8.473 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.752 1.919 7.555 1.00 0.00 C ATOM 1463 C PRO A 94 -10.635 2.495 6.148 1.00 0.00 C ATOM 1464 O PRO A 94 -11.117 3.589 5.853 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.182 1.561 7.952 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.707 2.842 8.596 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.466 3.537 9.162 1.00 0.00 C ATOM 0 HA PRO A 94 -10.150 1.010 7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.779 1.274 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.207 0.723 8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.214 3.472 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.429 2.622 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.510 4.613 8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.391 3.386 10.239 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.015 1.713 5.273 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.749 1.991 3.876 1.00 0.00 C ATOM 1477 C LEU A 95 -10.951 2.563 3.155 1.00 0.00 C ATOM 1478 O LEU A 95 -10.777 3.447 2.315 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.321 0.685 3.185 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.806 0.609 2.974 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.395 -0.841 2.737 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.402 1.464 1.776 1.00 0.00 C ATOM 0 H LEU A 95 -9.659 0.798 5.548 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.959 2.740 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.645 -0.165 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.824 0.604 2.222 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.302 0.987 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.317 -0.894 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.671 -1.443 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.904 -1.223 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.323 1.404 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.907 1.099 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.687 2.501 1.956 1.00 0.00 H new ATOM 1494 N THR A 96 -12.143 2.020 3.403 1.00 0.00 N ATOM 1495 CA THR A 96 -13.361 2.484 2.770 1.00 0.00 C ATOM 1496 C THR A 96 -14.514 2.287 3.756 1.00 0.00 C ATOM 1497 O THR A 96 -14.416 1.472 4.678 1.00 0.00 O ATOM 1498 CB THR A 96 -13.595 1.765 1.418 1.00 0.00 C ATOM 1499 OG1 THR A 96 -12.631 0.773 1.101 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.558 2.755 0.258 1.00 0.00 C ATOM 0 H THR A 96 -12.283 1.245 4.051 1.00 0.00 H new ATOM 0 HA THR A 96 -13.287 3.544 2.528 1.00 0.00 H new ATOM 0 HB THR A 96 -14.569 1.293 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.851 0.368 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.725 2.224 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.338 3.504 0.394 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.585 3.245 0.229 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.628 2.996 3.545 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.790 2.892 4.420 1.00 0.00 C ATOM 1510 C LYS A 97 -17.320 1.466 4.438 1.00 0.00 C ATOM 1511 O LYS A 97 -17.376 0.863 5.511 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.835 3.956 4.069 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.797 4.193 5.242 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.932 3.170 5.327 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.699 3.305 6.643 1.00 0.00 C ATOM 1516 NZ LYS A 97 -19.977 2.652 7.757 1.00 0.00 N ATOM 0 H LYS A 97 -15.745 3.650 2.771 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.496 3.108 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.335 4.889 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.398 3.641 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.231 4.172 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.226 5.191 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.615 3.310 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.525 2.163 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.848 4.360 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.688 2.859 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.523 2.761 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.857 1.640 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.043 3.095 7.872 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.723 0.942 3.275 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.268 -0.405 3.133 1.00 0.00 C ATOM 1532 C LYS A 98 -17.309 -1.448 3.705 1.00 0.00 C ATOM 1533 O LYS A 98 -17.613 -2.033 4.745 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.623 -0.657 1.658 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.211 -2.049 1.374 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.711 -2.122 1.698 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.338 -3.490 1.405 1.00 0.00 C ATOM 1538 NZ LYS A 98 -20.692 -4.573 2.170 1.00 0.00 N ATOM 0 H LYS A 98 -17.677 1.454 2.394 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.186 -0.496 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.339 0.099 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.726 -0.525 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.055 -2.300 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.677 -2.794 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.858 -1.882 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.236 -1.360 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.400 -3.460 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.259 -3.703 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -21.221 -5.458 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.715 -4.698 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.684 -4.327 3.181 1.00 0.00 H new ATOM 1552 N SER A 99 -16.210 -1.752 3.014 1.00 0.00 N ATOM 1553 CA SER A 99 -15.254 -2.735 3.489 1.00 0.00 C ATOM 1554 C SER A 99 -14.357 -2.049 4.526 1.00 0.00 C ATOM 1555 O SER A 99 -13.447 -1.308 4.163 1.00 0.00 O ATOM 1556 CB SER A 99 -14.530 -3.384 2.293 1.00 0.00 C ATOM 1557 OG SER A 99 -14.021 -2.456 1.351 1.00 0.00 O ATOM 0 H SER A 99 -15.965 -1.326 2.120 1.00 0.00 H new ATOM 0 HA SER A 99 -15.727 -3.575 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.707 -3.993 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.221 -4.058 1.786 1.00 0.00 H new ATOM 0 HG SER A 99 -13.637 -1.688 1.823 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.599 -2.281 5.815 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.838 -1.701 6.915 1.00 0.00 C ATOM 1565 C GLY A 100 -12.442 -2.310 7.083 1.00 0.00 C ATOM 1566 O GLY A 100 -12.087 -2.702 8.190 1.00 0.00 O ATOM 0 H GLY A 100 -15.351 -2.895 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.740 -0.628 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.397 -1.833 7.842 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.688 -2.498 6.000 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.339 -3.040 5.985 1.00 0.00 C ATOM 1572 C VAL A 101 -9.404 -1.988 6.584 1.00 0.00 C ATOM 1573 O VAL A 101 -9.594 -0.809 6.310 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.967 -3.301 4.513 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.566 -3.875 4.327 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.970 -4.227 3.809 1.00 0.00 C ATOM 0 H VAL A 101 -12.023 -2.263 5.066 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.261 -3.964 6.559 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.996 -2.312 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.375 -4.032 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.831 -3.178 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.489 -4.826 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.661 -4.378 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.001 -5.188 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.961 -3.773 3.829 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.385 -2.371 7.349 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.427 -1.440 7.947 1.00 0.00 C ATOM 1588 C VAL A 102 -6.036 -1.989 7.623 1.00 0.00 C ATOM 1589 O VAL A 102 -5.872 -3.204 7.546 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.667 -1.309 9.469 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.791 -0.185 10.043 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.131 -1.004 9.834 1.00 0.00 C ATOM 0 H VAL A 102 -8.198 -3.348 7.575 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.537 -0.433 7.544 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.408 -2.277 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.966 -0.099 11.115 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.741 -0.415 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.044 0.758 9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.227 -0.925 10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.432 -0.063 9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.772 -1.807 9.470 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.050 -1.130 7.348 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.686 -1.563 7.049 1.00 0.00 C ATOM 1604 C LEU A 103 -3.024 -1.747 8.402 1.00 0.00 C ATOM 1605 O LEU A 103 -2.870 -0.772 9.132 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.883 -0.521 6.244 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.192 -0.478 4.733 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.630 -0.031 4.470 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.263 0.485 3.986 1.00 0.00 C ATOM 0 H LEU A 103 -5.176 -0.118 7.327 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.711 -2.466 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.074 0.466 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.820 -0.724 6.376 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.039 -1.494 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.814 -0.012 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.320 -0.729 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.782 0.967 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.515 0.485 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.383 1.491 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.229 0.165 4.113 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.710 -2.980 8.776 1.00 0.00 N ATOM 1622 CA HIS A 104 -2.053 -3.266 10.041 1.00 0.00 C ATOM 1623 C HIS A 104 -0.541 -3.167 9.842 1.00 0.00 C ATOM 1624 O HIS A 104 0.138 -2.520 10.639 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.429 -4.659 10.564 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.767 -4.724 11.264 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.961 -5.104 12.571 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.001 -4.458 10.733 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.277 -5.087 12.822 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.957 -4.687 11.732 1.00 0.00 N ATOM 0 H HIS A 104 -2.904 -3.807 8.212 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.382 -2.539 10.783 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.436 -5.358 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.655 -4.996 11.254 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.202 -4.130 9.724 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.728 -5.356 13.766 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.967 -4.573 11.649 1.00 0.00 H new ATOM 1638 N ARG A 105 0.018 -3.795 8.795 1.00 0.00 N ATOM 1639 CA ARG A 105 1.464 -3.769 8.568 1.00 0.00 C ATOM 1640 C ARG A 105 1.840 -4.185 7.145 1.00 0.00 C ATOM 1641 O ARG A 105 1.091 -4.897 6.480 1.00 0.00 O ATOM 1642 CB ARG A 105 2.109 -4.727 9.597 1.00 0.00 C ATOM 1643 CG ARG A 105 3.640 -4.663 9.596 1.00 0.00 C ATOM 1644 CD ARG A 105 4.254 -5.360 10.811 1.00 0.00 C ATOM 1645 NE ARG A 105 5.652 -4.935 11.000 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.063 -3.894 11.740 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.175 -3.112 12.347 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.359 -3.632 11.864 1.00 0.00 N ATOM 0 H ARG A 105 -0.509 -4.322 8.099 1.00 0.00 H new ATOM 0 HA ARG A 105 1.828 -2.749 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.741 -4.482 10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.793 -5.748 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.020 -5.126 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.957 -3.620 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.673 -5.126 11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.212 -6.441 10.677 1.00 0.00 H new ATOM 0 HE ARG A 105 6.372 -5.481 10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.178 -3.303 12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.491 -2.322 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.046 -4.223 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.668 -2.840 12.427 1.00 0.00 H new ATOM 1662 N ALA A 106 2.993 -3.706 6.680 1.00 0.00 N ATOM 1663 CA ALA A 106 3.552 -3.995 5.370 1.00 0.00 C ATOM 1664 C ALA A 106 4.304 -5.316 5.413 1.00 0.00 C ATOM 1665 O ALA A 106 4.915 -5.666 6.425 1.00 0.00 O ATOM 1666 CB ALA A 106 4.525 -2.875 4.991 1.00 0.00 C ATOM 0 H ALA A 106 3.583 -3.082 7.231 1.00 0.00 H new ATOM 0 HA ALA A 106 2.749 -4.061 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.952 -3.080 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.993 -1.924 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.324 -2.822 5.730 1.00 0.00 H new ATOM 1672 N VAL A 107 4.283 -6.028 4.294 1.00 0.00 N ATOM 1673 CA VAL A 107 4.945 -7.305 4.119 1.00 0.00 C ATOM 1674 C VAL A 107 6.206 -6.982 3.311 1.00 0.00 C ATOM 1675 O VAL A 107 6.066 -6.622 2.150 1.00 0.00 O ATOM 1676 CB VAL A 107 3.968 -8.320 3.472 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.788 -8.622 4.402 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.360 -7.966 2.111 1.00 0.00 C ATOM 0 H VAL A 107 3.787 -5.718 3.458 1.00 0.00 H new ATOM 0 HA VAL A 107 5.242 -7.797 5.045 1.00 0.00 H new ATOM 0 HB VAL A 107 4.630 -9.170 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.120 -9.337 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.159 -9.044 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.244 -7.701 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.699 -8.770 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.791 -7.041 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.157 -7.835 1.379 1.00 0.00 H new ATOM 1688 N PRO A 108 7.423 -6.963 3.876 1.00 0.00 N ATOM 1689 CA PRO A 108 8.614 -6.642 3.092 1.00 0.00 C ATOM 1690 C PRO A 108 8.897 -7.729 2.051 1.00 0.00 C ATOM 1691 O PRO A 108 8.473 -8.877 2.207 1.00 0.00 O ATOM 1692 CB PRO A 108 9.754 -6.552 4.110 1.00 0.00 C ATOM 1693 CG PRO A 108 9.298 -7.496 5.220 1.00 0.00 C ATOM 1694 CD PRO A 108 7.781 -7.339 5.231 1.00 0.00 C ATOM 0 HA PRO A 108 8.492 -5.713 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.705 -6.865 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.889 -5.534 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.592 -8.525 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.735 -7.224 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.292 -8.268 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.470 -6.577 5.945 1.00 0.00 H new ATOM 1702 N SER A 109 9.627 -7.371 0.994 1.00 0.00 N ATOM 1703 CA SER A 109 10.010 -8.294 -0.063 1.00 0.00 C ATOM 1704 C SER A 109 11.050 -9.248 0.530 1.00 0.00 C ATOM 1705 O SER A 109 10.771 -10.428 0.763 1.00 0.00 O ATOM 1706 CB SER A 109 10.503 -7.488 -1.279 1.00 0.00 C ATOM 1707 OG SER A 109 11.473 -6.520 -0.900 1.00 0.00 O ATOM 0 H SER A 109 9.970 -6.421 0.851 1.00 0.00 H new ATOM 0 HA SER A 109 9.179 -8.897 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.932 -8.166 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.658 -6.991 -1.755 1.00 0.00 H new ATOM 0 HG SER A 109 11.769 -6.025 -1.693 1.00 0.00 H new ATOM 1713 N GLY A 110 12.235 -8.705 0.811 1.00 0.00 N ATOM 1714 CA GLY A 110 13.378 -9.386 1.389 1.00 0.00 C ATOM 1715 C GLY A 110 13.208 -9.603 2.898 1.00 0.00 C ATOM 1716 O GLY A 110 12.105 -9.449 3.439 1.00 0.00 O ATOM 0 H GLY A 110 12.427 -7.720 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.515 -10.349 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.280 -8.803 1.205 1.00 0.00 H new ATOM 1720 N PRO A 111 14.286 -9.993 3.597 1.00 0.00 N ATOM 1721 CA PRO A 111 14.262 -10.243 5.033 1.00 0.00 C ATOM 1722 C PRO A 111 14.106 -8.936 5.830 1.00 0.00 C ATOM 1723 O PRO A 111 13.963 -7.850 5.252 1.00 0.00 O ATOM 1724 CB PRO A 111 15.585 -10.963 5.299 1.00 0.00 C ATOM 1725 CG PRO A 111 16.541 -10.349 4.282 1.00 0.00 C ATOM 1726 CD PRO A 111 15.631 -10.198 3.066 1.00 0.00 C ATOM 0 HA PRO A 111 13.411 -10.844 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 111 15.930 -10.803 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 111 15.490 -12.040 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.939 -9.392 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 111 17.395 -10.995 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.940 -9.354 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 111 15.671 -11.086 2.435 1.00 0.00 H new ATOM 1734 N SER A 112 14.140 -9.032 7.159 1.00 0.00 N ATOM 1735 CA SER A 112 14.026 -7.920 8.098 1.00 0.00 C ATOM 1736 C SER A 112 15.086 -6.841 7.823 1.00 0.00 C ATOM 1737 O SER A 112 15.996 -7.051 7.012 1.00 0.00 O ATOM 1738 CB SER A 112 14.205 -8.474 9.520 1.00 0.00 C ATOM 1739 OG SER A 112 13.600 -9.746 9.675 1.00 0.00 O ATOM 0 H SER A 112 14.253 -9.929 7.630 1.00 0.00 H new ATOM 0 HA SER A 112 13.047 -7.454 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.268 -8.548 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.772 -7.777 10.238 1.00 0.00 H new ATOM 0 HG SER A 112 13.738 -10.064 10.592 1.00 0.00 H new ATOM 1745 N SER A 113 15.009 -5.685 8.493 1.00 0.00 N ATOM 1746 CA SER A 113 16.011 -4.651 8.252 1.00 0.00 C ATOM 1747 C SER A 113 17.399 -5.168 8.657 1.00 0.00 C ATOM 1748 O SER A 113 17.519 -6.001 9.570 1.00 0.00 O ATOM 1749 CB SER A 113 15.627 -3.337 8.936 1.00 0.00 C ATOM 1750 OG SER A 113 15.675 -3.399 10.353 1.00 0.00 O ATOM 0 H SER A 113 14.292 -5.451 9.179 1.00 0.00 H new ATOM 0 HA SER A 113 16.052 -4.424 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.297 -2.549 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 113 14.620 -3.057 8.627 1.00 0.00 H new ATOM 0 HG SER A 113 15.421 -2.530 10.727 1.00 0.00 H new ATOM 1756 N GLY A 114 18.452 -4.660 8.024 1.00 0.00 N ATOM 1757 CA GLY A 114 19.823 -5.058 8.289 1.00 0.00 C ATOM 1758 C GLY A 114 20.646 -4.873 7.041 1.00 0.00 C ATOM 1759 O GLY A 114 21.878 -4.745 7.184 1.00 0.00 O ATOM 0 H GLY A 114 18.370 -3.947 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 114 20.236 -4.461 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 114 19.856 -6.099 8.609 1.00 0.00 H new TER 1763 GLY A 114