USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 36 GLN : amide:sc= -1.69 K(o=-20,f=-20!) USER MOD Set 1.2: A 48 ASN : amide:sc= -17.8! C(o=-20!,f=-20!) USER MOD Set 2.1: A 27 GLN : amide:sc= -16.2! C(o=-16!,f=-20!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.418! USER MOD Single : A 6 THR OG1 : rot -103:sc= 0.689 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 16:sc= 0.33 USER MOD Single : A 11 SER OG : rot 180:sc= -0.256 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 54:sc= 1.02 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -64:sc= -4.52! USER MOD Single : A 60 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 62 SER OG : rot 170:sc= -1.28 USER MOD Single : A 64 SER OG : rot 52:sc= 0.104 USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.507 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 162:sc= -3.09! USER MOD Single : A 72 SER OG : rot -79:sc= 0.337 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 105:sc= -0.684! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.39 K(o=-2.4,f=-11!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.17) USER MOD Single : A 111 SER OG : rot -170:sc= -0.603 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -11.297 -2.580 9.947 1.00 0.00 N ATOM 22 CA PRO A 3 -9.959 -2.028 9.827 1.00 0.00 C ATOM 23 C PRO A 3 -9.716 -1.477 8.423 1.00 0.00 C ATOM 24 O PRO A 3 -8.700 -1.778 7.801 1.00 0.00 O ATOM 25 CB PRO A 3 -9.027 -3.173 10.186 1.00 0.00 C ATOM 26 CG PRO A 3 -9.850 -4.442 10.038 1.00 0.00 C ATOM 27 CD PRO A 3 -11.312 -4.039 9.946 1.00 0.00 C ATOM 0 HA PRO A 3 -9.795 -1.177 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.159 -3.191 9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.652 -3.067 11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.548 -4.991 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.689 -5.103 10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.774 -4.429 9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.884 -4.429 10.788 1.00 0.00 H new ATOM 35 N THR A 4 -10.665 -0.674 7.964 1.00 0.00 N ATOM 36 CA THR A 4 -10.569 -0.078 6.642 1.00 0.00 C ATOM 37 C THR A 4 -9.928 -1.059 5.658 1.00 0.00 C ATOM 38 O THR A 4 -10.274 -2.240 5.639 1.00 0.00 O ATOM 39 CB THR A 4 -9.800 1.239 6.774 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.438 0.836 6.884 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.085 1.953 8.095 1.00 0.00 C ATOM 0 H THR A 4 -11.505 -0.422 8.485 1.00 0.00 H new ATOM 0 HA THR A 4 -11.556 0.142 6.235 1.00 0.00 H new ATOM 0 HB THR A 4 -10.059 1.896 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.868 1.629 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.515 2.881 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.149 2.178 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.794 1.310 8.926 1.00 0.00 H new ATOM 49 N ALA A 5 -9.003 -0.536 4.866 1.00 0.00 N ATOM 50 CA ALA A 5 -8.309 -1.352 3.884 1.00 0.00 C ATOM 51 C ALA A 5 -7.100 -2.018 4.543 1.00 0.00 C ATOM 52 O ALA A 5 -6.149 -1.341 4.928 1.00 0.00 O ATOM 53 CB ALA A 5 -7.917 -0.485 2.687 1.00 0.00 C ATOM 0 H ALA A 5 -8.718 0.443 4.885 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.960 -2.144 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.396 -1.096 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.814 -0.059 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.261 0.319 3.020 1.00 0.00 H new ATOM 59 N THR A 6 -7.177 -3.337 4.651 1.00 0.00 N ATOM 60 CA THR A 6 -6.102 -4.103 5.256 1.00 0.00 C ATOM 61 C THR A 6 -5.896 -5.420 4.507 1.00 0.00 C ATOM 62 O THR A 6 -6.849 -5.993 3.981 1.00 0.00 O ATOM 63 CB THR A 6 -6.429 -4.292 6.738 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.852 -4.370 6.771 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.107 -3.049 7.573 1.00 0.00 C ATOM 0 H THR A 6 -7.968 -3.894 4.329 1.00 0.00 H new ATOM 0 HA THR A 6 -5.152 -3.573 5.184 1.00 0.00 H new ATOM 0 HB THR A 6 -5.873 -5.145 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.219 -3.521 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.358 -3.237 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.044 -2.821 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.689 -2.204 7.206 1.00 0.00 H new ATOM 73 N VAL A 7 -4.648 -5.862 4.482 1.00 0.00 N ATOM 74 CA VAL A 7 -4.307 -7.102 3.805 1.00 0.00 C ATOM 75 C VAL A 7 -4.648 -8.285 4.715 1.00 0.00 C ATOM 76 O VAL A 7 -4.317 -8.277 5.897 1.00 0.00 O ATOM 77 CB VAL A 7 -2.837 -7.079 3.381 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.545 -8.178 2.356 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.446 -5.705 2.834 1.00 0.00 C ATOM 0 H VAL A 7 -3.860 -5.384 4.919 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.893 -7.213 2.893 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.230 -7.274 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.494 -8.140 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.768 -9.151 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.166 -8.026 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.396 -5.716 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.063 -5.469 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.599 -4.950 3.605 1.00 0.00 H new ATOM 89 N THR A 8 -5.306 -9.273 4.125 1.00 0.00 N ATOM 90 CA THR A 8 -5.696 -10.458 4.867 1.00 0.00 C ATOM 91 C THR A 8 -4.649 -10.789 5.933 1.00 0.00 C ATOM 92 O THR A 8 -4.955 -10.802 7.125 1.00 0.00 O ATOM 93 CB THR A 8 -5.917 -11.592 3.863 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.334 -11.703 3.771 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.473 -12.951 4.407 1.00 0.00 C ATOM 0 H THR A 8 -5.578 -9.276 3.142 1.00 0.00 H new ATOM 0 HA THR A 8 -6.628 -10.296 5.409 1.00 0.00 H new ATOM 0 HB THR A 8 -5.373 -11.373 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.566 -12.415 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.652 -13.720 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.410 -12.918 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.040 -13.185 5.308 1.00 0.00 H new ATOM 103 N PRO A 9 -3.404 -11.053 5.455 1.00 0.00 N ATOM 104 CA PRO A 9 -2.310 -11.380 6.354 1.00 0.00 C ATOM 105 C PRO A 9 -1.804 -10.132 7.080 1.00 0.00 C ATOM 106 O PRO A 9 -2.514 -9.131 7.170 1.00 0.00 O ATOM 107 CB PRO A 9 -1.255 -12.024 5.470 1.00 0.00 C ATOM 108 CG PRO A 9 -1.595 -11.611 4.048 1.00 0.00 C ATOM 109 CD PRO A 9 -3.005 -11.046 4.051 1.00 0.00 C ATOM 0 HA PRO A 9 -2.609 -12.059 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.256 -11.688 5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.267 -13.109 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.886 -10.866 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.528 -12.466 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.028 -10.038 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.677 -11.654 3.445 1.00 0.00 H new ATOM 117 N SER A 10 -0.581 -10.233 7.581 1.00 0.00 N ATOM 118 CA SER A 10 0.028 -9.124 8.295 1.00 0.00 C ATOM 119 C SER A 10 1.550 -9.183 8.154 1.00 0.00 C ATOM 120 O SER A 10 2.156 -8.297 7.554 1.00 0.00 O ATOM 121 CB SER A 10 -0.369 -9.138 9.772 1.00 0.00 C ATOM 122 OG SER A 10 -1.702 -8.675 9.972 1.00 0.00 O ATOM 0 H SER A 10 0.004 -11.065 7.506 1.00 0.00 H new ATOM 0 HA SER A 10 -0.335 -8.194 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.275 -10.151 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.321 -8.512 10.339 1.00 0.00 H new ATOM 0 HG SER A 10 -2.179 -8.672 9.116 1.00 0.00 H new ATOM 128 N SER A 11 2.125 -10.238 8.716 1.00 0.00 N ATOM 129 CA SER A 11 3.564 -10.424 8.659 1.00 0.00 C ATOM 130 C SER A 11 3.898 -11.685 7.861 1.00 0.00 C ATOM 131 O SER A 11 3.029 -12.523 7.627 1.00 0.00 O ATOM 132 CB SER A 11 4.162 -10.512 10.065 1.00 0.00 C ATOM 133 OG SER A 11 5.262 -11.415 10.121 1.00 0.00 O ATOM 0 H SER A 11 1.619 -10.972 9.212 1.00 0.00 H new ATOM 0 HA SER A 11 4.002 -9.560 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.489 -9.522 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.393 -10.834 10.767 1.00 0.00 H new ATOM 0 HG SER A 11 5.617 -11.442 11.034 1.00 0.00 H new ATOM 139 N GLY A 12 5.157 -11.779 7.464 1.00 0.00 N ATOM 140 CA GLY A 12 5.617 -12.923 6.696 1.00 0.00 C ATOM 141 C GLY A 12 5.281 -12.761 5.212 1.00 0.00 C ATOM 142 O GLY A 12 5.156 -13.746 4.487 1.00 0.00 O ATOM 0 H GLY A 12 5.874 -11.081 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.694 -13.037 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.154 -13.832 7.080 1.00 0.00 H new ATOM 146 N LEU A 13 5.143 -11.506 4.804 1.00 0.00 N ATOM 147 CA LEU A 13 4.823 -11.200 3.421 1.00 0.00 C ATOM 148 C LEU A 13 6.091 -11.309 2.573 1.00 0.00 C ATOM 149 O LEU A 13 7.197 -11.119 3.077 1.00 0.00 O ATOM 150 CB LEU A 13 4.129 -9.841 3.320 1.00 0.00 C ATOM 151 CG LEU A 13 2.802 -9.706 4.069 1.00 0.00 C ATOM 152 CD1 LEU A 13 1.878 -8.705 3.375 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.136 -11.071 4.253 1.00 0.00 C ATOM 0 H LEU A 13 5.247 -10.691 5.408 1.00 0.00 H new ATOM 0 HA LEU A 13 4.112 -11.925 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.813 -9.078 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.952 -9.623 2.267 1.00 0.00 H new ATOM 0 HG LEU A 13 3.010 -9.312 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.942 -8.629 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.360 -7.728 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.672 -9.043 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.195 -10.947 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.943 -11.516 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.796 -11.723 4.825 1.00 0.00 H new ATOM 165 N SER A 14 5.889 -11.615 1.300 1.00 0.00 N ATOM 166 CA SER A 14 7.002 -11.752 0.377 1.00 0.00 C ATOM 167 C SER A 14 6.786 -10.850 -0.840 1.00 0.00 C ATOM 168 O SER A 14 5.649 -10.578 -1.223 1.00 0.00 O ATOM 169 CB SER A 14 7.175 -13.206 -0.065 1.00 0.00 C ATOM 170 OG SER A 14 8.512 -13.480 -0.480 1.00 0.00 O ATOM 0 H SER A 14 4.970 -11.772 0.886 1.00 0.00 H new ATOM 0 HA SER A 14 7.913 -11.446 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.907 -13.870 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.489 -13.420 -0.885 1.00 0.00 H new ATOM 0 HG SER A 14 8.584 -14.418 -0.753 1.00 0.00 H new ATOM 176 N ASP A 15 7.896 -10.409 -1.416 1.00 0.00 N ATOM 177 CA ASP A 15 7.842 -9.545 -2.582 1.00 0.00 C ATOM 178 C ASP A 15 7.022 -10.224 -3.679 1.00 0.00 C ATOM 179 O ASP A 15 7.581 -10.828 -4.594 1.00 0.00 O ATOM 180 CB ASP A 15 9.245 -9.278 -3.135 1.00 0.00 C ATOM 181 CG ASP A 15 10.240 -10.427 -2.954 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.642 -10.652 -1.791 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.576 -11.054 -3.981 1.00 0.00 O ATOM 0 H ASP A 15 8.838 -10.635 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 15 7.387 -8.601 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.163 -9.052 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.647 -8.389 -2.650 1.00 0.00 H new ATOM 189 N GLY A 16 5.709 -10.104 -3.551 1.00 0.00 N ATOM 190 CA GLY A 16 4.805 -10.698 -4.520 1.00 0.00 C ATOM 191 C GLY A 16 3.785 -11.609 -3.833 1.00 0.00 C ATOM 192 O GLY A 16 3.395 -12.638 -4.383 1.00 0.00 O ATOM 0 H GLY A 16 5.249 -9.604 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.285 -9.912 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.375 -11.271 -5.251 1.00 0.00 H new ATOM 196 N THR A 17 3.383 -11.198 -2.640 1.00 0.00 N ATOM 197 CA THR A 17 2.417 -11.964 -1.870 1.00 0.00 C ATOM 198 C THR A 17 0.991 -11.584 -2.278 1.00 0.00 C ATOM 199 O THR A 17 0.499 -10.517 -1.913 1.00 0.00 O ATOM 200 CB THR A 17 2.706 -11.735 -0.386 1.00 0.00 C ATOM 201 OG1 THR A 17 4.017 -12.260 -0.202 1.00 0.00 O ATOM 202 CG2 THR A 17 1.827 -12.599 0.521 1.00 0.00 C ATOM 0 H THR A 17 3.708 -10.344 -2.187 1.00 0.00 H new ATOM 0 HA THR A 17 2.507 -13.032 -2.071 1.00 0.00 H new ATOM 0 HB THR A 17 2.553 -10.683 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.628 -11.847 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.072 -12.398 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.778 -12.363 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.004 -13.652 0.303 1.00 0.00 H new ATOM 210 N VAL A 18 0.367 -12.479 -3.028 1.00 0.00 N ATOM 211 CA VAL A 18 -0.992 -12.253 -3.489 1.00 0.00 C ATOM 212 C VAL A 18 -1.960 -12.424 -2.316 1.00 0.00 C ATOM 213 O VAL A 18 -2.046 -13.504 -1.733 1.00 0.00 O ATOM 214 CB VAL A 18 -1.307 -13.177 -4.666 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.476 -12.636 -5.493 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.071 -13.394 -5.541 1.00 0.00 C ATOM 0 H VAL A 18 0.778 -13.363 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.105 -11.233 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.604 -14.144 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.678 -13.313 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.362 -12.559 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.221 -11.650 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.324 -14.055 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.271 -12.436 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.722 -13.846 -4.945 1.00 0.00 H new ATOM 226 N VAL A 19 -2.663 -11.345 -2.008 1.00 0.00 N ATOM 227 CA VAL A 19 -3.619 -11.364 -0.913 1.00 0.00 C ATOM 228 C VAL A 19 -4.814 -10.476 -1.274 1.00 0.00 C ATOM 229 O VAL A 19 -4.826 -9.841 -2.326 1.00 0.00 O ATOM 230 CB VAL A 19 -2.937 -10.947 0.387 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.295 -12.152 1.084 1.00 0.00 C ATOM 232 CG2 VAL A 19 -1.903 -9.847 0.137 1.00 0.00 C ATOM 0 H VAL A 19 -2.591 -10.452 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.997 -12.374 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.703 -10.544 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.816 -11.826 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.063 -12.891 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.549 -12.598 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.432 -9.569 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.143 -10.212 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.396 -8.975 -0.293 1.00 0.00 H new ATOM 242 N LYS A 20 -5.790 -10.463 -0.377 1.00 0.00 N ATOM 243 CA LYS A 20 -6.987 -9.664 -0.587 1.00 0.00 C ATOM 244 C LYS A 20 -7.049 -8.560 0.471 1.00 0.00 C ATOM 245 O LYS A 20 -6.946 -8.831 1.666 1.00 0.00 O ATOM 246 CB LYS A 20 -8.228 -10.557 -0.615 1.00 0.00 C ATOM 247 CG LYS A 20 -8.750 -10.725 -2.043 1.00 0.00 C ATOM 248 CD LYS A 20 -9.764 -11.868 -2.126 1.00 0.00 C ATOM 249 CE LYS A 20 -10.192 -12.118 -3.573 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.633 -13.519 -3.749 1.00 0.00 N ATOM 0 H LYS A 20 -5.777 -10.992 0.495 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.952 -9.174 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.987 -11.533 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.007 -10.123 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.215 -9.797 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.917 -10.924 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.328 -12.776 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.638 -11.628 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.002 -11.439 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.361 -11.905 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.920 -13.671 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.850 -14.162 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.439 -13.711 -3.121 1.00 0.00 H new ATOM 264 N VAL A 21 -7.213 -7.335 -0.009 1.00 0.00 N ATOM 265 CA VAL A 21 -7.288 -6.188 0.880 1.00 0.00 C ATOM 266 C VAL A 21 -8.752 -5.772 1.043 1.00 0.00 C ATOM 267 O VAL A 21 -9.349 -5.214 0.123 1.00 0.00 O ATOM 268 CB VAL A 21 -6.401 -5.059 0.353 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.639 -3.765 1.132 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.924 -5.459 0.391 1.00 0.00 C ATOM 0 H VAL A 21 -7.296 -7.112 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.910 -6.445 1.869 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.672 -4.878 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.996 -2.979 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.682 -3.466 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.409 -3.927 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.315 -4.639 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.634 -5.681 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.770 -6.342 -0.229 1.00 0.00 H new ATOM 280 N ALA A 22 -9.287 -6.056 2.221 1.00 0.00 N ATOM 281 CA ALA A 22 -10.670 -5.718 2.516 1.00 0.00 C ATOM 282 C ALA A 22 -10.730 -4.304 3.101 1.00 0.00 C ATOM 283 O ALA A 22 -10.012 -3.991 4.050 1.00 0.00 O ATOM 284 CB ALA A 22 -11.260 -6.766 3.462 1.00 0.00 C ATOM 0 H ALA A 22 -8.788 -6.516 2.983 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.271 -5.725 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.297 -6.513 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.219 -7.747 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.685 -6.785 4.388 1.00 0.00 H new ATOM 290 N GLY A 23 -11.591 -3.490 2.511 1.00 0.00 N ATOM 291 CA GLY A 23 -11.754 -2.118 2.960 1.00 0.00 C ATOM 292 C GLY A 23 -13.073 -1.945 3.717 1.00 0.00 C ATOM 293 O GLY A 23 -14.111 -1.687 3.111 1.00 0.00 O ATOM 0 H GLY A 23 -12.184 -3.754 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.920 -1.841 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.731 -1.445 2.103 1.00 0.00 H new ATOM 297 N ALA A 24 -12.986 -2.088 5.032 1.00 0.00 N ATOM 298 CA ALA A 24 -14.160 -1.950 5.878 1.00 0.00 C ATOM 299 C ALA A 24 -14.283 -0.495 6.336 1.00 0.00 C ATOM 300 O ALA A 24 -13.545 -0.052 7.214 1.00 0.00 O ATOM 301 CB ALA A 24 -14.059 -2.925 7.054 1.00 0.00 C ATOM 0 H ALA A 24 -12.122 -2.298 5.532 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.065 -2.200 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.939 -2.822 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.002 -3.946 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.164 -2.702 7.635 1.00 0.00 H new ATOM 307 N GLY A 25 -15.222 0.207 5.722 1.00 0.00 N ATOM 308 CA GLY A 25 -15.452 1.602 6.054 1.00 0.00 C ATOM 309 C GLY A 25 -14.496 2.516 5.284 1.00 0.00 C ATOM 310 O GLY A 25 -14.124 3.582 5.769 1.00 0.00 O ATOM 0 H GLY A 25 -15.834 -0.164 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.483 1.869 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.319 1.751 7.126 1.00 0.00 H new ATOM 314 N LEU A 26 -14.126 2.062 4.095 1.00 0.00 N ATOM 315 CA LEU A 26 -13.223 2.825 3.250 1.00 0.00 C ATOM 316 C LEU A 26 -14.037 3.744 2.339 1.00 0.00 C ATOM 317 O LEU A 26 -15.042 4.312 2.762 1.00 0.00 O ATOM 318 CB LEU A 26 -12.277 1.888 2.497 1.00 0.00 C ATOM 319 CG LEU A 26 -10.843 2.390 2.309 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.828 3.872 1.926 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.998 2.112 3.552 1.00 0.00 C ATOM 0 H LEU A 26 -14.435 1.175 3.697 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.583 3.466 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.241 0.937 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.703 1.688 1.514 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.393 1.838 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.798 4.204 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.373 4.012 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.303 4.456 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.984 2.478 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.436 2.620 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.970 1.039 3.741 1.00 0.00 H new ATOM 333 N GLN A 27 -13.572 3.859 1.102 1.00 0.00 N ATOM 334 CA GLN A 27 -14.245 4.701 0.127 1.00 0.00 C ATOM 335 C GLN A 27 -15.730 4.340 0.048 1.00 0.00 C ATOM 336 O GLN A 27 -16.121 3.472 -0.731 1.00 0.00 O ATOM 337 CB GLN A 27 -13.579 4.585 -1.247 1.00 0.00 C ATOM 338 CG GLN A 27 -12.285 5.398 -1.300 1.00 0.00 C ATOM 339 CD GLN A 27 -12.454 6.743 -0.590 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.953 7.709 -1.143 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.010 6.753 0.665 1.00 0.00 N ATOM 0 H GLN A 27 -12.739 3.384 0.754 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.161 5.738 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.364 3.539 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.265 4.936 -2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.478 4.835 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.998 5.564 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.603 5.909 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.077 7.604 1.223 1.00 0.00 H new ATOM 350 N ALA A 28 -16.515 5.023 0.867 1.00 0.00 N ATOM 351 CA ALA A 28 -17.948 4.786 0.901 1.00 0.00 C ATOM 352 C ALA A 28 -18.537 5.045 -0.490 1.00 0.00 C ATOM 353 O ALA A 28 -19.034 6.135 -0.764 1.00 0.00 O ATOM 354 CB ALA A 28 -18.587 5.669 1.975 1.00 0.00 C ATOM 0 H ALA A 28 -16.186 5.741 1.513 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.158 3.749 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.662 5.491 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.157 5.429 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.398 6.717 1.744 1.00 0.00 H new ATOM 360 N GLY A 29 -18.460 4.022 -1.328 1.00 0.00 N ATOM 361 CA GLY A 29 -18.979 4.124 -2.682 1.00 0.00 C ATOM 362 C GLY A 29 -18.025 4.920 -3.574 1.00 0.00 C ATOM 363 O GLY A 29 -18.337 5.192 -4.733 1.00 0.00 O ATOM 0 H GLY A 29 -18.046 3.119 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.123 3.126 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.956 4.607 -2.666 1.00 0.00 H new ATOM 367 N THR A 30 -16.882 5.271 -3.002 1.00 0.00 N ATOM 368 CA THR A 30 -15.882 6.030 -3.733 1.00 0.00 C ATOM 369 C THR A 30 -14.915 5.086 -4.450 1.00 0.00 C ATOM 370 O THR A 30 -15.092 3.869 -4.422 1.00 0.00 O ATOM 371 CB THR A 30 -15.191 6.973 -2.746 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.889 6.766 -1.522 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.443 8.447 -3.071 1.00 0.00 C ATOM 0 H THR A 30 -16.627 5.044 -2.041 1.00 0.00 H new ATOM 0 HA THR A 30 -16.338 6.634 -4.517 1.00 0.00 H new ATOM 0 HB THR A 30 -14.119 6.778 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.504 7.338 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.931 9.073 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.065 8.669 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.513 8.650 -3.035 1.00 0.00 H new ATOM 381 N ALA A 31 -13.911 5.684 -5.076 1.00 0.00 N ATOM 382 CA ALA A 31 -12.914 4.913 -5.801 1.00 0.00 C ATOM 383 C ALA A 31 -11.547 5.580 -5.645 1.00 0.00 C ATOM 384 O ALA A 31 -11.345 6.702 -6.108 1.00 0.00 O ATOM 385 CB ALA A 31 -13.337 4.779 -7.263 1.00 0.00 C ATOM 0 H ALA A 31 -13.767 6.694 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.835 3.905 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.590 4.201 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.300 4.270 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.424 5.770 -7.709 1.00 0.00 H new ATOM 391 N TYR A 32 -10.644 4.862 -4.992 1.00 0.00 N ATOM 392 CA TYR A 32 -9.301 5.371 -4.770 1.00 0.00 C ATOM 393 C TYR A 32 -8.263 4.516 -5.501 1.00 0.00 C ATOM 394 O TYR A 32 -8.617 3.678 -6.328 1.00 0.00 O ATOM 395 CB TYR A 32 -9.057 5.272 -3.263 1.00 0.00 C ATOM 396 CG TYR A 32 -9.556 6.480 -2.470 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.393 7.400 -3.069 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.170 6.651 -1.158 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.863 8.539 -2.322 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.639 7.791 -0.410 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.462 8.679 -1.029 1.00 0.00 C ATOM 402 OH TYR A 32 -10.907 9.752 -0.324 1.00 0.00 O ATOM 0 H TYR A 32 -10.816 3.932 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.210 6.392 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.547 4.375 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.988 5.151 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.695 7.266 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.516 5.931 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.519 9.266 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.343 7.936 0.619 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.541 9.721 0.584 1.00 0.00 H new ATOM 412 N ASP A 33 -7.005 4.765 -5.171 1.00 0.00 N ATOM 413 CA ASP A 33 -5.913 4.026 -5.786 1.00 0.00 C ATOM 414 C ASP A 33 -5.194 3.202 -4.717 1.00 0.00 C ATOM 415 O ASP A 33 -4.541 3.755 -3.835 1.00 0.00 O ATOM 416 CB ASP A 33 -4.892 4.978 -6.415 1.00 0.00 C ATOM 417 CG ASP A 33 -3.714 4.295 -7.113 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.980 3.575 -8.099 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.577 4.506 -6.643 1.00 0.00 O ATOM 0 H ASP A 33 -6.717 5.466 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.333 3.383 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.406 5.611 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.503 5.634 -5.637 1.00 0.00 H new ATOM 425 N VAL A 34 -5.339 1.890 -4.833 1.00 0.00 N ATOM 426 CA VAL A 34 -4.711 0.982 -3.887 1.00 0.00 C ATOM 427 C VAL A 34 -3.217 0.877 -4.203 1.00 0.00 C ATOM 428 O VAL A 34 -2.828 0.804 -5.366 1.00 0.00 O ATOM 429 CB VAL A 34 -5.424 -0.372 -3.909 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.416 -1.523 -3.891 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.412 -0.491 -2.748 1.00 0.00 C ATOM 0 H VAL A 34 -5.881 1.434 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.802 1.365 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.990 -0.437 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.949 -2.474 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.770 -1.454 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.810 -1.462 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.905 -1.463 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.877 -0.394 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.160 0.298 -2.824 1.00 0.00 H new ATOM 441 N GLY A 35 -2.421 0.872 -3.143 1.00 0.00 N ATOM 442 CA GLY A 35 -0.978 0.776 -3.293 1.00 0.00 C ATOM 443 C GLY A 35 -0.284 0.800 -1.929 1.00 0.00 C ATOM 444 O GLY A 35 -0.816 1.350 -0.966 1.00 0.00 O ATOM 0 H GLY A 35 -2.747 0.933 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.724 -0.144 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.616 1.603 -3.904 1.00 0.00 H new ATOM 448 N GLN A 36 0.895 0.195 -1.891 1.00 0.00 N ATOM 449 CA GLN A 36 1.667 0.138 -0.662 1.00 0.00 C ATOM 450 C GLN A 36 2.665 1.295 -0.609 1.00 0.00 C ATOM 451 O GLN A 36 3.757 1.205 -1.168 1.00 0.00 O ATOM 452 CB GLN A 36 2.381 -1.208 -0.525 1.00 0.00 C ATOM 453 CG GLN A 36 1.627 -2.309 -1.274 1.00 0.00 C ATOM 454 CD GLN A 36 2.512 -2.949 -2.344 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.660 -4.157 -2.425 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.090 -2.074 -3.163 1.00 0.00 N ATOM 0 H GLN A 36 1.334 -0.260 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 36 0.981 0.236 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.395 -1.127 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.466 -1.473 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.294 -3.071 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.733 -1.892 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.925 -1.075 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.698 -2.402 -3.913 1.00 0.00 H new ATOM 465 N CYS A 37 2.254 2.358 0.067 1.00 0.00 N ATOM 466 CA CYS A 37 3.099 3.533 0.202 1.00 0.00 C ATOM 467 C CYS A 37 3.617 3.591 1.640 1.00 0.00 C ATOM 468 O CYS A 37 3.087 2.918 2.521 1.00 0.00 O ATOM 469 CB CYS A 37 2.355 4.811 -0.191 1.00 0.00 C ATOM 470 SG CYS A 37 3.427 6.269 -0.466 1.00 0.00 S ATOM 0 H CYS A 37 1.347 2.430 0.527 1.00 0.00 H new ATOM 0 HA CYS A 37 3.944 3.458 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.787 4.619 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.634 5.050 0.591 1.00 0.00 H new ATOM 475 N ALA A 38 4.648 4.404 1.831 1.00 0.00 N ATOM 476 CA ALA A 38 5.241 4.559 3.147 1.00 0.00 C ATOM 477 C ALA A 38 6.577 5.297 3.015 1.00 0.00 C ATOM 478 O ALA A 38 7.172 5.322 1.939 1.00 0.00 O ATOM 479 CB ALA A 38 5.399 3.185 3.803 1.00 0.00 C ATOM 0 H ALA A 38 5.086 4.960 1.097 1.00 0.00 H new ATOM 0 HA ALA A 38 4.594 5.155 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.844 3.303 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.421 2.713 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.044 2.559 3.186 1.00 0.00 H new ATOM 485 N TRP A 39 7.008 5.877 4.124 1.00 0.00 N ATOM 486 CA TRP A 39 8.261 6.614 4.145 1.00 0.00 C ATOM 487 C TRP A 39 9.405 5.601 4.114 1.00 0.00 C ATOM 488 O TRP A 39 9.534 4.775 5.019 1.00 0.00 O ATOM 489 CB TRP A 39 8.324 7.553 5.352 1.00 0.00 C ATOM 490 CG TRP A 39 8.194 6.841 6.700 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.138 6.171 7.374 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.007 6.758 7.516 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.650 5.663 8.561 1.00 0.00 N ATOM 494 CE2 TRP A 39 7.311 6.030 8.649 1.00 0.00 C ATOM 495 CE3 TRP A 39 5.718 7.278 7.304 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.378 5.759 9.660 1.00 0.00 C ATOM 497 CZ3 TRP A 39 4.798 6.997 8.322 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.088 6.267 9.468 1.00 0.00 C ATOM 0 H TRP A 39 6.513 5.852 5.015 1.00 0.00 H new ATOM 0 HA TRP A 39 8.345 7.259 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.269 8.096 5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.529 8.294 5.265 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.154 6.044 7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.174 5.119 9.247 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.458 7.849 6.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.640 5.189 10.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.792 7.374 8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.321 6.092 10.208 1.00 0.00 H new ATOM 509 N VAL A 40 10.208 5.693 3.064 1.00 0.00 N ATOM 510 CA VAL A 40 11.338 4.795 2.906 1.00 0.00 C ATOM 511 C VAL A 40 12.637 5.567 3.139 1.00 0.00 C ATOM 512 O VAL A 40 13.591 5.030 3.701 1.00 0.00 O ATOM 513 CB VAL A 40 11.283 4.122 1.532 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.950 4.995 0.466 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.916 2.730 1.576 1.00 0.00 C ATOM 0 H VAL A 40 10.098 6.376 2.315 1.00 0.00 H new ATOM 0 HA VAL A 40 11.297 3.998 3.648 1.00 0.00 H new ATOM 0 HB VAL A 40 10.234 4.004 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.897 4.494 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.435 5.954 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.994 5.160 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.863 2.275 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.959 2.814 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.377 2.108 2.291 1.00 0.00 H new ATOM 525 N ASP A 41 12.632 6.818 2.698 1.00 0.00 N ATOM 526 CA ASP A 41 13.800 7.669 2.854 1.00 0.00 C ATOM 527 C ASP A 41 13.703 8.420 4.182 1.00 0.00 C ATOM 528 O ASP A 41 12.781 8.191 4.965 1.00 0.00 O ATOM 529 CB ASP A 41 13.876 8.706 1.730 1.00 0.00 C ATOM 530 CG ASP A 41 15.157 8.657 0.893 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.680 9.753 0.593 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.581 7.527 0.572 1.00 0.00 O ATOM 0 H ASP A 41 11.839 7.261 2.234 1.00 0.00 H new ATOM 0 HA ASP A 41 14.687 7.036 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.021 8.566 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.782 9.701 2.166 1.00 0.00 H new ATOM 538 N THR A 42 14.667 9.304 4.397 1.00 0.00 N ATOM 539 CA THR A 42 14.704 10.090 5.619 1.00 0.00 C ATOM 540 C THR A 42 13.378 10.828 5.818 1.00 0.00 C ATOM 541 O THR A 42 13.247 11.991 5.438 1.00 0.00 O ATOM 542 CB THR A 42 15.914 11.024 5.545 1.00 0.00 C ATOM 543 OG1 THR A 42 17.032 10.156 5.703 1.00 0.00 O ATOM 544 CG2 THR A 42 16.001 11.966 6.747 1.00 0.00 C ATOM 0 H THR A 42 15.428 9.493 3.745 1.00 0.00 H new ATOM 0 HA THR A 42 14.821 9.453 6.496 1.00 0.00 H new ATOM 0 HB THR A 42 15.864 11.610 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.860 10.679 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.877 12.607 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.103 12.583 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.085 11.381 7.663 1.00 0.00 H new ATOM 552 N GLY A 43 12.428 10.121 6.413 1.00 0.00 N ATOM 553 CA GLY A 43 11.117 10.695 6.666 1.00 0.00 C ATOM 554 C GLY A 43 10.443 11.122 5.362 1.00 0.00 C ATOM 555 O GLY A 43 9.502 11.913 5.374 1.00 0.00 O ATOM 0 H GLY A 43 12.540 9.157 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.491 9.967 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.215 11.556 7.327 1.00 0.00 H new ATOM 559 N VAL A 44 10.953 10.581 4.264 1.00 0.00 N ATOM 560 CA VAL A 44 10.413 10.897 2.953 1.00 0.00 C ATOM 561 C VAL A 44 9.371 9.845 2.570 1.00 0.00 C ATOM 562 O VAL A 44 9.671 8.652 2.528 1.00 0.00 O ATOM 563 CB VAL A 44 11.548 11.013 1.933 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.051 11.646 0.631 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.726 11.800 2.512 1.00 0.00 C ATOM 0 H VAL A 44 11.735 9.926 4.256 1.00 0.00 H new ATOM 0 HA VAL A 44 9.910 11.864 2.970 1.00 0.00 H new ATOM 0 HB VAL A 44 11.898 10.007 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.877 11.717 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.260 11.029 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.662 12.643 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.519 11.868 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.396 12.803 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.103 11.290 3.399 1.00 0.00 H new ATOM 575 N LEU A 45 8.164 10.324 2.299 1.00 0.00 N ATOM 576 CA LEU A 45 7.076 9.440 1.919 1.00 0.00 C ATOM 577 C LEU A 45 7.249 9.021 0.457 1.00 0.00 C ATOM 578 O LEU A 45 7.123 9.849 -0.446 1.00 0.00 O ATOM 579 CB LEU A 45 5.726 10.094 2.216 1.00 0.00 C ATOM 580 CG LEU A 45 4.536 9.142 2.360 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.716 8.218 3.567 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.219 9.918 2.424 1.00 0.00 C ATOM 0 H LEU A 45 7.917 11.313 2.335 1.00 0.00 H new ATOM 0 HA LEU A 45 7.101 8.528 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.819 10.670 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.505 10.802 1.418 1.00 0.00 H new ATOM 0 HG LEU A 45 4.495 8.509 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.857 7.552 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.623 7.627 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.796 8.816 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.389 9.219 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.234 10.591 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.094 10.498 1.510 1.00 0.00 H new ATOM 594 N ALA A 46 7.534 7.743 0.270 1.00 0.00 N ATOM 595 CA ALA A 46 7.723 7.207 -1.068 1.00 0.00 C ATOM 596 C ALA A 46 6.782 6.019 -1.276 1.00 0.00 C ATOM 597 O ALA A 46 6.580 5.216 -0.366 1.00 0.00 O ATOM 598 CB ALA A 46 9.193 6.826 -1.261 1.00 0.00 C ATOM 0 H ALA A 46 7.639 7.061 1.022 1.00 0.00 H new ATOM 0 HA ALA A 46 7.477 7.957 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.336 6.424 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.818 7.710 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.473 6.073 -0.525 1.00 0.00 H new ATOM 604 N CYS A 47 6.232 5.945 -2.478 1.00 0.00 N ATOM 605 CA CYS A 47 5.317 4.868 -2.818 1.00 0.00 C ATOM 606 C CYS A 47 6.005 3.951 -3.831 1.00 0.00 C ATOM 607 O CYS A 47 6.844 4.402 -4.608 1.00 0.00 O ATOM 608 CB CYS A 47 3.985 5.405 -3.348 1.00 0.00 C ATOM 609 SG CYS A 47 3.353 6.885 -2.478 1.00 0.00 S ATOM 0 H CYS A 47 6.402 6.613 -3.230 1.00 0.00 H new ATOM 0 HA CYS A 47 5.075 4.298 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.101 5.644 -4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.238 4.614 -3.280 1.00 0.00 H new ATOM 614 N ASN A 48 5.627 2.683 -3.786 1.00 0.00 N ATOM 615 CA ASN A 48 6.199 1.701 -4.690 1.00 0.00 C ATOM 616 C ASN A 48 5.547 1.840 -6.068 1.00 0.00 C ATOM 617 O ASN A 48 4.541 2.532 -6.214 1.00 0.00 O ATOM 618 CB ASN A 48 5.942 0.277 -4.188 1.00 0.00 C ATOM 619 CG ASN A 48 5.837 0.243 -2.664 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.093 -0.529 -2.084 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.622 1.123 -2.048 1.00 0.00 N ATOM 0 H ASN A 48 4.932 2.313 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 48 7.273 1.878 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.021 -0.107 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.749 -0.379 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.624 1.179 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.222 1.741 -2.594 1.00 0.00 H new ATOM 628 N PRO A 49 6.162 1.154 -7.067 1.00 0.00 N ATOM 629 CA PRO A 49 5.653 1.195 -8.428 1.00 0.00 C ATOM 630 C PRO A 49 4.395 0.339 -8.568 1.00 0.00 C ATOM 631 O PRO A 49 3.719 0.385 -9.596 1.00 0.00 O ATOM 632 CB PRO A 49 6.806 0.708 -9.293 1.00 0.00 C ATOM 633 CG PRO A 49 7.749 -0.027 -8.355 1.00 0.00 C ATOM 634 CD PRO A 49 7.356 0.323 -6.930 1.00 0.00 C ATOM 0 HA PRO A 49 5.340 2.194 -8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.449 0.048 -10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.310 1.544 -9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.685 -1.103 -8.515 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.782 0.263 -8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.150 -0.573 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.155 0.860 -6.419 1.00 0.00 H new ATOM 642 N ALA A 50 4.115 -0.424 -7.520 1.00 0.00 N ATOM 643 CA ALA A 50 2.949 -1.290 -7.515 1.00 0.00 C ATOM 644 C ALA A 50 1.890 -0.705 -6.581 1.00 0.00 C ATOM 645 O ALA A 50 0.957 -1.400 -6.182 1.00 0.00 O ATOM 646 CB ALA A 50 3.367 -2.705 -7.109 1.00 0.00 C ATOM 0 H ALA A 50 4.676 -0.460 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 50 2.512 -1.352 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.493 -3.356 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.100 -3.086 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.807 -2.682 -6.112 1.00 0.00 H new ATOM 652 N ASP A 51 2.069 0.569 -6.260 1.00 0.00 N ATOM 653 CA ASP A 51 1.138 1.255 -5.378 1.00 0.00 C ATOM 654 C ASP A 51 -0.006 1.838 -6.209 1.00 0.00 C ATOM 655 O ASP A 51 -0.854 2.558 -5.685 1.00 0.00 O ATOM 656 CB ASP A 51 1.824 2.409 -4.645 1.00 0.00 C ATOM 657 CG ASP A 51 0.900 3.557 -4.235 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.422 3.518 -3.081 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.691 4.448 -5.087 1.00 0.00 O ATOM 0 H ASP A 51 2.843 1.143 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 51 0.768 0.534 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.307 2.015 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.612 2.808 -5.284 1.00 0.00 H new ATOM 665 N PHE A 52 0.005 1.503 -7.492 1.00 0.00 N ATOM 666 CA PHE A 52 -1.023 1.986 -8.400 1.00 0.00 C ATOM 667 C PHE A 52 -1.978 0.856 -8.795 1.00 0.00 C ATOM 668 O PHE A 52 -1.692 0.087 -9.711 1.00 0.00 O ATOM 669 CB PHE A 52 -0.309 2.496 -9.653 1.00 0.00 C ATOM 670 CG PHE A 52 1.118 2.983 -9.402 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.377 3.823 -8.364 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.132 2.577 -10.214 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.703 4.277 -8.130 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.457 3.031 -9.980 1.00 0.00 C ATOM 675 CZ PHE A 52 3.713 3.871 -8.943 1.00 0.00 C ATOM 0 H PHE A 52 0.709 0.904 -7.924 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.608 2.770 -7.919 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.284 1.698 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.890 3.312 -10.083 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.574 4.145 -7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.929 1.909 -11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.908 4.945 -7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.261 2.709 -10.626 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.721 4.216 -8.765 1.00 0.00 H new ATOM 685 N SER A 53 -3.094 0.794 -8.085 1.00 0.00 N ATOM 686 CA SER A 53 -4.092 -0.227 -8.346 1.00 0.00 C ATOM 687 C SER A 53 -5.486 0.300 -7.995 1.00 0.00 C ATOM 688 O SER A 53 -5.983 0.067 -6.895 1.00 0.00 O ATOM 689 CB SER A 53 -3.797 -1.505 -7.559 1.00 0.00 C ATOM 690 OG SER A 53 -4.240 -2.672 -8.248 1.00 0.00 O ATOM 0 H SER A 53 -3.329 1.436 -7.328 1.00 0.00 H new ATOM 0 HA SER A 53 -4.058 -0.471 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.725 -1.578 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.285 -1.452 -6.586 1.00 0.00 H new ATOM 0 HG SER A 53 -4.484 -3.363 -7.597 1.00 0.00 H new ATOM 696 N SER A 54 -6.076 1.001 -8.952 1.00 0.00 N ATOM 697 CA SER A 54 -7.402 1.564 -8.758 1.00 0.00 C ATOM 698 C SER A 54 -8.276 0.583 -7.973 1.00 0.00 C ATOM 699 O SER A 54 -8.166 -0.630 -8.148 1.00 0.00 O ATOM 700 CB SER A 54 -8.059 1.902 -10.099 1.00 0.00 C ATOM 701 OG SER A 54 -8.262 0.743 -10.902 1.00 0.00 O ATOM 0 H SER A 54 -5.661 1.192 -9.864 1.00 0.00 H new ATOM 0 HA SER A 54 -7.301 2.489 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.017 2.391 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.434 2.613 -10.640 1.00 0.00 H new ATOM 0 HG SER A 54 -8.685 1.001 -11.748 1.00 0.00 H new ATOM 707 N VAL A 55 -9.125 1.146 -7.124 1.00 0.00 N ATOM 708 CA VAL A 55 -10.016 0.337 -6.311 1.00 0.00 C ATOM 709 C VAL A 55 -11.233 1.174 -5.911 1.00 0.00 C ATOM 710 O VAL A 55 -11.151 2.399 -5.832 1.00 0.00 O ATOM 711 CB VAL A 55 -9.260 -0.230 -5.109 1.00 0.00 C ATOM 712 CG1 VAL A 55 -10.211 -0.515 -3.947 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.475 -1.485 -5.496 1.00 0.00 C ATOM 0 H VAL A 55 -9.214 2.152 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.381 -0.518 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.545 0.523 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.647 -0.917 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.704 0.409 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.962 -1.240 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.947 -1.867 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.163 -2.245 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.755 -1.238 -6.276 1.00 0.00 H new ATOM 723 N THR A 56 -12.335 0.479 -5.670 1.00 0.00 N ATOM 724 CA THR A 56 -13.569 1.142 -5.279 1.00 0.00 C ATOM 725 C THR A 56 -14.277 0.349 -4.180 1.00 0.00 C ATOM 726 O THR A 56 -14.281 -0.881 -4.203 1.00 0.00 O ATOM 727 CB THR A 56 -14.420 1.334 -6.536 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.732 2.723 -6.535 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.782 0.645 -6.431 1.00 0.00 C ATOM 0 H THR A 56 -12.400 -0.537 -5.738 1.00 0.00 H new ATOM 0 HA THR A 56 -13.372 2.124 -4.849 1.00 0.00 H new ATOM 0 HB THR A 56 -13.883 0.946 -7.401 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.278 2.935 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.346 0.812 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.638 -0.425 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.334 1.057 -5.586 1.00 0.00 H new ATOM 737 N ALA A 57 -14.855 1.084 -3.243 1.00 0.00 N ATOM 738 CA ALA A 57 -15.566 0.464 -2.137 1.00 0.00 C ATOM 739 C ALA A 57 -17.072 0.630 -2.347 1.00 0.00 C ATOM 740 O ALA A 57 -17.525 1.668 -2.827 1.00 0.00 O ATOM 741 CB ALA A 57 -15.088 1.076 -0.817 1.00 0.00 C ATOM 0 H ALA A 57 -14.846 2.104 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.356 -0.605 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.620 0.612 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.018 0.904 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.285 2.148 -0.820 1.00 0.00 H new ATOM 747 N ASP A 58 -17.807 -0.408 -1.974 1.00 0.00 N ATOM 748 CA ASP A 58 -19.253 -0.389 -2.115 1.00 0.00 C ATOM 749 C ASP A 58 -19.836 0.694 -1.206 1.00 0.00 C ATOM 750 O ASP A 58 -19.200 1.106 -0.237 1.00 0.00 O ATOM 751 CB ASP A 58 -19.863 -1.730 -1.702 1.00 0.00 C ATOM 752 CG ASP A 58 -18.963 -2.947 -1.927 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.306 -4.017 -1.381 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.952 -2.781 -2.643 1.00 0.00 O ATOM 0 H ASP A 58 -17.428 -1.267 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.487 -0.192 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.126 -1.682 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.791 -1.876 -2.255 1.00 0.00 H new ATOM 760 N ALA A 59 -21.039 1.128 -1.553 1.00 0.00 N ATOM 761 CA ALA A 59 -21.714 2.155 -0.780 1.00 0.00 C ATOM 762 C ALA A 59 -21.512 1.884 0.712 1.00 0.00 C ATOM 763 O ALA A 59 -21.518 2.810 1.522 1.00 0.00 O ATOM 764 CB ALA A 59 -23.194 2.197 -1.169 1.00 0.00 C ATOM 0 H ALA A 59 -21.563 0.787 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.291 3.136 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.701 2.968 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.285 2.424 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.652 1.229 -0.964 1.00 0.00 H new ATOM 770 N ASN A 60 -21.337 0.610 1.029 1.00 0.00 N ATOM 771 CA ASN A 60 -21.132 0.204 2.410 1.00 0.00 C ATOM 772 C ASN A 60 -19.639 0.273 2.742 1.00 0.00 C ATOM 773 O ASN A 60 -19.137 -0.527 3.529 1.00 0.00 O ATOM 774 CB ASN A 60 -21.601 -1.234 2.636 1.00 0.00 C ATOM 775 CG ASN A 60 -22.173 -1.409 4.045 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.766 -0.508 4.617 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.964 -2.613 4.568 1.00 0.00 N ATOM 0 H ASN A 60 -21.333 -0.155 0.354 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.707 0.875 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.359 -1.493 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.766 -1.920 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.308 -2.829 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.460 -3.321 4.034 1.00 0.00 H new ATOM 784 N GLY A 61 -18.972 1.237 2.122 1.00 0.00 N ATOM 785 CA GLY A 61 -17.547 1.420 2.341 1.00 0.00 C ATOM 786 C GLY A 61 -16.817 0.076 2.346 1.00 0.00 C ATOM 787 O GLY A 61 -15.929 -0.151 3.169 1.00 0.00 O ATOM 0 H GLY A 61 -19.392 1.898 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.134 2.059 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.384 1.930 3.290 1.00 0.00 H new ATOM 791 N SER A 62 -17.215 -0.782 1.418 1.00 0.00 N ATOM 792 CA SER A 62 -16.608 -2.098 1.304 1.00 0.00 C ATOM 793 C SER A 62 -15.690 -2.147 0.082 1.00 0.00 C ATOM 794 O SER A 62 -16.157 -2.307 -1.044 1.00 0.00 O ATOM 795 CB SER A 62 -17.676 -3.190 1.211 1.00 0.00 C ATOM 796 OG SER A 62 -18.869 -2.830 1.901 1.00 0.00 O ATOM 0 H SER A 62 -17.951 -0.592 0.738 1.00 0.00 H new ATOM 0 HA SER A 62 -16.017 -2.281 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.907 -3.383 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.283 -4.118 1.626 1.00 0.00 H new ATOM 0 HG SER A 62 -19.577 -3.472 1.687 1.00 0.00 H new ATOM 802 N ALA A 63 -14.398 -2.006 0.346 1.00 0.00 N ATOM 803 CA ALA A 63 -13.409 -2.032 -0.718 1.00 0.00 C ATOM 804 C ALA A 63 -12.706 -3.390 -0.722 1.00 0.00 C ATOM 805 O ALA A 63 -11.617 -3.531 -0.167 1.00 0.00 O ATOM 806 CB ALA A 63 -12.434 -0.868 -0.539 1.00 0.00 C ATOM 0 H ALA A 63 -14.014 -1.873 1.282 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.887 -1.907 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.692 -0.888 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.981 0.074 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.932 -0.959 0.424 1.00 0.00 H new ATOM 812 N SER A 64 -13.355 -4.358 -1.353 1.00 0.00 N ATOM 813 CA SER A 64 -12.805 -5.700 -1.434 1.00 0.00 C ATOM 814 C SER A 64 -11.913 -5.825 -2.672 1.00 0.00 C ATOM 815 O SER A 64 -12.356 -6.301 -3.714 1.00 0.00 O ATOM 816 CB SER A 64 -13.917 -6.750 -1.474 1.00 0.00 C ATOM 817 OG SER A 64 -14.943 -6.407 -2.403 1.00 0.00 O ATOM 0 H SER A 64 -14.257 -4.239 -1.813 1.00 0.00 H new ATOM 0 HA SER A 64 -12.206 -5.879 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.493 -7.717 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.350 -6.858 -0.479 1.00 0.00 H new ATOM 0 HG SER A 64 -14.542 -6.211 -3.275 1.00 0.00 H new ATOM 823 N THR A 65 -10.673 -5.387 -2.513 1.00 0.00 N ATOM 824 CA THR A 65 -9.714 -5.445 -3.604 1.00 0.00 C ATOM 825 C THR A 65 -8.683 -6.544 -3.349 1.00 0.00 C ATOM 826 O THR A 65 -8.540 -7.018 -2.223 1.00 0.00 O ATOM 827 CB THR A 65 -9.094 -4.054 -3.760 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.773 -4.314 -4.230 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.880 -3.354 -2.418 1.00 0.00 C ATOM 0 H THR A 65 -10.310 -4.991 -1.646 1.00 0.00 H new ATOM 0 HA THR A 65 -10.198 -5.710 -4.544 1.00 0.00 H new ATOM 0 HB THR A 65 -9.736 -3.440 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.144 -3.701 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.438 -2.372 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.838 -3.239 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.211 -3.951 -1.799 1.00 0.00 H new ATOM 837 N SER A 66 -7.989 -6.919 -4.415 1.00 0.00 N ATOM 838 CA SER A 66 -6.976 -7.956 -4.323 1.00 0.00 C ATOM 839 C SER A 66 -5.718 -7.526 -5.081 1.00 0.00 C ATOM 840 O SER A 66 -5.805 -7.030 -6.203 1.00 0.00 O ATOM 841 CB SER A 66 -7.495 -9.285 -4.869 1.00 0.00 C ATOM 842 OG SER A 66 -7.568 -9.288 -6.292 1.00 0.00 O ATOM 0 H SER A 66 -8.109 -6.522 -5.347 1.00 0.00 H new ATOM 0 HA SER A 66 -6.729 -8.099 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.842 -10.092 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.483 -9.485 -4.455 1.00 0.00 H new ATOM 0 HG SER A 66 -7.903 -10.156 -6.601 1.00 0.00 H new ATOM 848 N LEU A 67 -4.578 -7.733 -4.437 1.00 0.00 N ATOM 849 CA LEU A 67 -3.305 -7.372 -5.035 1.00 0.00 C ATOM 850 C LEU A 67 -2.185 -8.170 -4.361 1.00 0.00 C ATOM 851 O LEU A 67 -2.419 -8.858 -3.369 1.00 0.00 O ATOM 852 CB LEU A 67 -3.096 -5.857 -4.985 1.00 0.00 C ATOM 853 CG LEU A 67 -2.545 -5.213 -6.258 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.016 -5.261 -6.278 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.154 -5.855 -7.506 1.00 0.00 C ATOM 0 H LEU A 67 -4.510 -8.146 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.294 -7.636 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.050 -5.386 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.416 -5.631 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.835 -4.162 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.649 -4.797 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.624 -4.722 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.684 -6.298 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.745 -5.378 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.915 -6.918 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.236 -5.726 -7.490 1.00 0.00 H new ATOM 867 N THR A 68 -0.995 -8.049 -4.927 1.00 0.00 N ATOM 868 CA THR A 68 0.162 -8.748 -4.393 1.00 0.00 C ATOM 869 C THR A 68 1.093 -7.771 -3.672 1.00 0.00 C ATOM 870 O THR A 68 1.292 -6.647 -4.131 1.00 0.00 O ATOM 871 CB THR A 68 0.839 -9.493 -5.545 1.00 0.00 C ATOM 872 OG1 THR A 68 1.850 -10.272 -4.911 1.00 0.00 O ATOM 873 CG2 THR A 68 1.615 -8.558 -6.472 1.00 0.00 C ATOM 0 H THR A 68 -0.806 -7.477 -5.750 1.00 0.00 H new ATOM 0 HA THR A 68 -0.133 -9.480 -3.641 1.00 0.00 H new ATOM 0 HB THR A 68 0.085 -10.030 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.139 -10.987 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.075 -9.138 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.933 -7.824 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.390 -8.044 -5.904 1.00 0.00 H new ATOM 881 N VAL A 69 1.639 -8.235 -2.557 1.00 0.00 N ATOM 882 CA VAL A 69 2.543 -7.415 -1.770 1.00 0.00 C ATOM 883 C VAL A 69 3.971 -7.602 -2.283 1.00 0.00 C ATOM 884 O VAL A 69 4.708 -8.451 -1.786 1.00 0.00 O ATOM 885 CB VAL A 69 2.393 -7.749 -0.286 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.087 -6.699 0.585 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.918 -7.892 0.098 1.00 0.00 C ATOM 0 H VAL A 69 1.472 -9.168 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 69 2.294 -6.359 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 69 2.880 -8.708 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.965 -6.960 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.149 -6.667 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.642 -5.721 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.840 -8.130 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.397 -6.956 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.466 -8.692 -0.487 1.00 0.00 H new ATOM 897 N ARG A 70 4.322 -6.795 -3.275 1.00 0.00 N ATOM 898 CA ARG A 70 5.650 -6.860 -3.861 1.00 0.00 C ATOM 899 C ARG A 70 6.613 -5.950 -3.098 1.00 0.00 C ATOM 900 O ARG A 70 7.108 -4.965 -3.645 1.00 0.00 O ATOM 901 CB ARG A 70 5.622 -6.444 -5.334 1.00 0.00 C ATOM 902 CG ARG A 70 5.483 -7.663 -6.247 1.00 0.00 C ATOM 903 CD ARG A 70 5.720 -7.283 -7.710 1.00 0.00 C ATOM 904 NE ARG A 70 6.733 -8.182 -8.308 1.00 0.00 N ATOM 905 CZ ARG A 70 8.049 -8.077 -8.092 1.00 0.00 C ATOM 906 NH1 ARG A 70 8.524 -7.112 -7.293 1.00 0.00 N ATOM 907 NH2 ARG A 70 8.894 -8.936 -8.679 1.00 0.00 N ATOM 0 H ARG A 70 3.708 -6.092 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 70 5.993 -7.893 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.791 -5.760 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.536 -5.904 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.197 -8.430 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.488 -8.093 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.786 -7.351 -8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.056 -6.248 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 70 6.407 -8.928 -8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.882 -6.456 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.528 -7.033 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.533 -9.669 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.898 -8.857 -8.515 1.00 0.00 H new ATOM 921 N ARG A 71 6.850 -6.310 -1.844 1.00 0.00 N ATOM 922 CA ARG A 71 7.744 -5.537 -1.000 1.00 0.00 C ATOM 923 C ARG A 71 8.949 -5.052 -1.809 1.00 0.00 C ATOM 924 O ARG A 71 9.525 -4.008 -1.504 1.00 0.00 O ATOM 925 CB ARG A 71 8.238 -6.368 0.186 1.00 0.00 C ATOM 926 CG ARG A 71 8.616 -5.471 1.366 1.00 0.00 C ATOM 927 CD ARG A 71 8.068 -6.034 2.679 1.00 0.00 C ATOM 928 NE ARG A 71 8.456 -7.455 2.823 1.00 0.00 N ATOM 929 CZ ARG A 71 9.579 -7.871 3.422 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.433 -6.976 3.939 1.00 0.00 N ATOM 931 NH2 ARG A 71 9.851 -9.181 3.505 1.00 0.00 N ATOM 0 H ARG A 71 6.438 -7.127 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 71 7.185 -4.681 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.461 -7.069 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.101 -6.961 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.701 -5.383 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.224 -4.467 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.452 -5.457 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.982 -5.941 2.699 1.00 0.00 H new ATOM 0 HE ARG A 71 7.828 -8.162 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.227 -5.979 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.289 -7.292 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.202 -9.863 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.707 -9.496 3.962 1.00 0.00 H new ATOM 945 N SER A 72 9.294 -5.831 -2.822 1.00 0.00 N ATOM 946 CA SER A 72 10.419 -5.491 -3.677 1.00 0.00 C ATOM 947 C SER A 72 9.932 -4.713 -4.900 1.00 0.00 C ATOM 948 O SER A 72 8.915 -5.060 -5.499 1.00 0.00 O ATOM 949 CB SER A 72 11.175 -6.748 -4.115 1.00 0.00 C ATOM 950 OG SER A 72 12.094 -7.191 -3.122 1.00 0.00 O ATOM 0 H SER A 72 8.815 -6.697 -3.071 1.00 0.00 H new ATOM 0 HA SER A 72 11.105 -4.865 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.462 -7.544 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.712 -6.544 -5.041 1.00 0.00 H new ATOM 0 HG SER A 72 12.907 -6.645 -3.162 1.00 0.00 H new ATOM 956 N PHE A 73 10.679 -3.670 -5.235 1.00 0.00 N ATOM 957 CA PHE A 73 10.336 -2.839 -6.376 1.00 0.00 C ATOM 958 C PHE A 73 11.039 -1.482 -6.295 1.00 0.00 C ATOM 959 O PHE A 73 11.715 -1.186 -5.312 1.00 0.00 O ATOM 960 CB PHE A 73 8.823 -2.618 -6.329 1.00 0.00 C ATOM 961 CG PHE A 73 8.263 -2.443 -4.918 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.074 -2.016 -3.912 1.00 0.00 C ATOM 963 CD2 PHE A 73 6.954 -2.714 -4.666 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.554 -1.852 -2.601 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.434 -2.551 -3.354 1.00 0.00 C ATOM 966 CZ PHE A 73 7.245 -2.122 -2.350 1.00 0.00 C ATOM 0 H PHE A 73 11.520 -3.382 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 73 10.648 -3.327 -7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.577 -1.735 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.328 -3.466 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.114 -1.802 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.310 -3.053 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.198 -1.513 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.395 -2.768 -3.154 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.849 -1.996 -1.353 1.00 0.00 H new ATOM 976 N GLU A 74 10.857 -0.694 -7.346 1.00 0.00 N ATOM 977 CA GLU A 74 11.466 0.624 -7.406 1.00 0.00 C ATOM 978 C GLU A 74 10.498 1.681 -6.871 1.00 0.00 C ATOM 979 O GLU A 74 9.550 2.062 -7.554 1.00 0.00 O ATOM 980 CB GLU A 74 11.908 0.957 -8.833 1.00 0.00 C ATOM 981 CG GLU A 74 12.902 2.121 -8.842 1.00 0.00 C ATOM 982 CD GLU A 74 14.312 1.638 -8.501 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.266 2.313 -8.948 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.408 0.607 -7.802 1.00 0.00 O ATOM 0 H GLU A 74 10.297 -0.943 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 74 12.355 0.622 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.366 0.080 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.037 1.213 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.903 2.596 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.589 2.877 -8.123 1.00 0.00 H new ATOM 992 N GLY A 75 10.771 2.123 -5.653 1.00 0.00 N ATOM 993 CA GLY A 75 9.936 3.127 -5.015 1.00 0.00 C ATOM 994 C GLY A 75 10.286 4.530 -5.520 1.00 0.00 C ATOM 995 O GLY A 75 11.319 4.724 -6.161 1.00 0.00 O ATOM 0 H GLY A 75 11.559 1.804 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.886 2.915 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.068 3.082 -3.934 1.00 0.00 H new ATOM 999 N PHE A 76 9.403 5.472 -5.214 1.00 0.00 N ATOM 1000 CA PHE A 76 9.606 6.849 -5.630 1.00 0.00 C ATOM 1001 C PHE A 76 9.049 7.821 -4.589 1.00 0.00 C ATOM 1002 O PHE A 76 8.039 7.539 -3.947 1.00 0.00 O ATOM 1003 CB PHE A 76 8.848 7.037 -6.945 1.00 0.00 C ATOM 1004 CG PHE A 76 9.752 7.247 -8.160 1.00 0.00 C ATOM 1005 CD1 PHE A 76 10.200 8.495 -8.466 1.00 0.00 C ATOM 1006 CD2 PHE A 76 10.108 6.189 -8.936 1.00 0.00 C ATOM 1007 CE1 PHE A 76 11.038 8.691 -9.596 1.00 0.00 C ATOM 1008 CE2 PHE A 76 10.948 6.385 -10.064 1.00 0.00 C ATOM 1009 CZ PHE A 76 11.394 7.632 -10.370 1.00 0.00 C ATOM 0 H PHE A 76 8.547 5.308 -4.684 1.00 0.00 H new ATOM 0 HA PHE A 76 10.671 7.051 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.220 6.163 -7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.181 7.894 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.918 9.336 -7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.752 5.199 -8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.392 9.682 -9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.232 5.544 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.032 7.781 -11.229 1.00 0.00 H new ATOM 1019 N LEU A 77 9.732 8.950 -4.455 1.00 0.00 N ATOM 1020 CA LEU A 77 9.317 9.967 -3.502 1.00 0.00 C ATOM 1021 C LEU A 77 8.377 10.954 -4.197 1.00 0.00 C ATOM 1022 O LEU A 77 8.539 11.243 -5.380 1.00 0.00 O ATOM 1023 CB LEU A 77 10.537 10.627 -2.858 1.00 0.00 C ATOM 1024 CG LEU A 77 11.539 9.680 -2.193 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.085 8.664 -3.197 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.659 10.463 -1.504 1.00 0.00 C ATOM 0 H LEU A 77 10.569 9.182 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 77 8.758 9.517 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.061 11.200 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.188 11.338 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 77 11.015 9.118 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.794 8.004 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.263 8.074 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.588 9.189 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.357 9.767 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.187 11.068 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.232 11.113 -0.740 1.00 0.00 H new ATOM 1038 N PHE A 78 7.416 11.446 -3.428 1.00 0.00 N ATOM 1039 CA PHE A 78 6.450 12.396 -3.954 1.00 0.00 C ATOM 1040 C PHE A 78 7.004 13.820 -3.911 1.00 0.00 C ATOM 1041 O PHE A 78 6.427 14.734 -4.504 1.00 0.00 O ATOM 1042 CB PHE A 78 5.212 12.316 -3.059 1.00 0.00 C ATOM 1043 CG PHE A 78 5.258 13.249 -1.847 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.929 12.874 -0.726 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.627 14.453 -1.891 1.00 0.00 C ATOM 1046 CE1 PHE A 78 5.972 13.739 0.399 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.669 15.318 -0.766 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.342 14.944 0.355 1.00 0.00 C ATOM 0 H PHE A 78 7.286 11.205 -2.446 1.00 0.00 H new ATOM 0 HA PHE A 78 6.218 12.156 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.330 12.554 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.094 11.290 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.430 11.918 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.094 14.751 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.505 13.440 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.166 16.273 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.376 15.603 1.210 1.00 0.00 H new ATOM 1058 N ASP A 79 8.115 13.969 -3.204 1.00 0.00 N ATOM 1059 CA ASP A 79 8.752 15.269 -3.077 1.00 0.00 C ATOM 1060 C ASP A 79 9.459 15.615 -4.388 1.00 0.00 C ATOM 1061 O ASP A 79 9.379 16.749 -4.860 1.00 0.00 O ATOM 1062 CB ASP A 79 9.800 15.261 -1.962 1.00 0.00 C ATOM 1063 CG ASP A 79 9.512 16.208 -0.796 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.504 17.432 -1.046 1.00 0.00 O ATOM 1065 OD2 ASP A 79 9.305 15.685 0.320 1.00 0.00 O ATOM 0 H ASP A 79 8.590 13.211 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 79 7.980 16.002 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.887 14.246 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.767 15.522 -2.391 1.00 0.00 H new ATOM 1071 N GLY A 80 10.137 14.620 -4.941 1.00 0.00 N ATOM 1072 CA GLY A 80 10.858 14.805 -6.187 1.00 0.00 C ATOM 1073 C GLY A 80 12.013 13.811 -6.307 1.00 0.00 C ATOM 1074 O GLY A 80 12.449 13.490 -7.410 1.00 0.00 O ATOM 0 H GLY A 80 10.202 13.681 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.176 14.678 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.243 15.823 -6.240 1.00 0.00 H new ATOM 1078 N THR A 81 12.478 13.351 -5.153 1.00 0.00 N ATOM 1079 CA THR A 81 13.576 12.401 -5.114 1.00 0.00 C ATOM 1080 C THR A 81 13.083 11.004 -5.496 1.00 0.00 C ATOM 1081 O THR A 81 11.880 10.766 -5.577 1.00 0.00 O ATOM 1082 CB THR A 81 14.206 12.463 -3.721 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.834 13.741 -3.682 1.00 0.00 O ATOM 1084 CG2 THR A 81 15.363 11.475 -3.557 1.00 0.00 C ATOM 0 H THR A 81 12.114 13.619 -4.239 1.00 0.00 H new ATOM 0 HA THR A 81 14.344 12.653 -5.845 1.00 0.00 H new ATOM 0 HB THR A 81 13.444 12.258 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.267 13.866 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.774 11.560 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.000 10.460 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.140 11.701 -4.287 1.00 0.00 H new ATOM 1092 N ARG A 82 14.041 10.116 -5.723 1.00 0.00 N ATOM 1093 CA ARG A 82 13.720 8.748 -6.093 1.00 0.00 C ATOM 1094 C ARG A 82 14.055 7.794 -4.946 1.00 0.00 C ATOM 1095 O ARG A 82 15.057 7.972 -4.258 1.00 0.00 O ATOM 1096 CB ARG A 82 14.493 8.321 -7.343 1.00 0.00 C ATOM 1097 CG ARG A 82 15.982 8.148 -7.036 1.00 0.00 C ATOM 1098 CD ARG A 82 16.760 7.756 -8.293 1.00 0.00 C ATOM 1099 NE ARG A 82 17.199 8.970 -9.016 1.00 0.00 N ATOM 1100 CZ ARG A 82 18.107 8.971 -10.003 1.00 0.00 C ATOM 1101 NH1 ARG A 82 18.676 7.822 -10.389 1.00 0.00 N ATOM 1102 NH2 ARG A 82 18.443 10.121 -10.601 1.00 0.00 N ATOM 0 H ARG A 82 15.039 10.318 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 82 12.652 8.704 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.086 7.385 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.364 9.067 -8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.383 9.077 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.112 7.383 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.626 7.152 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.134 7.143 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 82 16.785 9.862 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.419 6.947 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.367 7.822 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.008 10.995 -10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.134 10.123 -11.352 1.00 0.00 H new ATOM 1116 N TRP A 83 13.194 6.799 -4.776 1.00 0.00 N ATOM 1117 CA TRP A 83 13.385 5.817 -3.722 1.00 0.00 C ATOM 1118 C TRP A 83 14.066 4.592 -4.337 1.00 0.00 C ATOM 1119 O TRP A 83 15.290 4.478 -4.307 1.00 0.00 O ATOM 1120 CB TRP A 83 12.059 5.483 -3.038 1.00 0.00 C ATOM 1121 CG TRP A 83 12.053 4.133 -2.317 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.101 3.354 -2.016 1.00 0.00 C ATOM 1123 CD2 TRP A 83 10.897 3.434 -1.812 1.00 0.00 C ATOM 1124 NE1 TRP A 83 12.708 2.206 -1.361 1.00 0.00 N ATOM 1125 CE2 TRP A 83 11.322 2.257 -1.230 1.00 0.00 C ATOM 1126 CE3 TRP A 83 9.535 3.782 -1.846 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 10.451 1.332 -0.640 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 8.677 2.848 -1.250 1.00 0.00 C ATOM 1129 CH2 TRP A 83 9.090 1.660 -0.661 1.00 0.00 C ATOM 0 H TRP A 83 12.364 6.653 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 83 14.026 6.214 -2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.825 6.268 -2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.265 5.488 -3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.126 3.595 -2.256 1.00 0.00 H new ATOM 0 HE1 TRP A 83 13.319 1.458 -1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.178 4.697 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.810 0.416 -0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.620 3.068 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 83 8.364 0.992 -0.221 1.00 0.00 H new ATOM 1140 N GLY A 84 13.241 3.706 -4.879 1.00 0.00 N ATOM 1141 CA GLY A 84 13.751 2.494 -5.499 1.00 0.00 C ATOM 1142 C GLY A 84 14.000 1.408 -4.453 1.00 0.00 C ATOM 1143 O GLY A 84 13.063 0.918 -3.823 1.00 0.00 O ATOM 0 H GLY A 84 12.226 3.803 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.039 2.133 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.678 2.714 -6.028 1.00 0.00 H new ATOM 1147 N THR A 85 15.271 1.061 -4.299 1.00 0.00 N ATOM 1148 CA THR A 85 15.656 0.040 -3.341 1.00 0.00 C ATOM 1149 C THR A 85 15.475 -1.355 -3.944 1.00 0.00 C ATOM 1150 O THR A 85 16.408 -2.156 -3.959 1.00 0.00 O ATOM 1151 CB THR A 85 14.843 0.259 -2.064 1.00 0.00 C ATOM 1152 OG1 THR A 85 15.050 1.633 -1.752 1.00 0.00 O ATOM 1153 CG2 THR A 85 15.426 -0.488 -0.862 1.00 0.00 C ATOM 0 H THR A 85 16.046 1.469 -4.822 1.00 0.00 H new ATOM 0 HA THR A 85 16.714 0.115 -3.088 1.00 0.00 H new ATOM 0 HB THR A 85 13.815 -0.065 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.245 2.144 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.811 -0.298 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.441 -1.558 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.442 -0.141 -0.676 1.00 0.00 H new ATOM 1161 N VAL A 86 14.266 -1.602 -4.427 1.00 0.00 N ATOM 1162 CA VAL A 86 13.949 -2.886 -5.031 1.00 0.00 C ATOM 1163 C VAL A 86 13.527 -3.869 -3.937 1.00 0.00 C ATOM 1164 O VAL A 86 12.950 -4.916 -4.227 1.00 0.00 O ATOM 1165 CB VAL A 86 15.139 -3.386 -5.853 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.705 -4.457 -6.853 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.841 -2.225 -6.563 1.00 0.00 C ATOM 0 H VAL A 86 13.494 -0.935 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 86 13.111 -2.786 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 86 15.853 -3.840 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.570 -4.794 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.272 -5.302 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.962 -4.040 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.683 -2.607 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.138 -1.729 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.203 -1.511 -5.823 1.00 0.00 H new ATOM 1177 N ASP A 87 13.829 -3.496 -2.702 1.00 0.00 N ATOM 1178 CA ASP A 87 13.487 -4.330 -1.562 1.00 0.00 C ATOM 1179 C ASP A 87 13.108 -3.439 -0.377 1.00 0.00 C ATOM 1180 O ASP A 87 13.960 -2.751 0.182 1.00 0.00 O ATOM 1181 CB ASP A 87 14.673 -5.200 -1.140 1.00 0.00 C ATOM 1182 CG ASP A 87 14.299 -6.550 -0.526 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.103 -6.902 -0.615 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.217 -7.201 0.017 1.00 0.00 O ATOM 0 H ASP A 87 14.307 -2.627 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 87 12.655 -4.971 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.303 -5.377 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.274 -4.644 -0.420 1.00 0.00 H new ATOM 1190 N CYS A 88 11.830 -3.482 -0.031 1.00 0.00 N ATOM 1191 CA CYS A 88 11.329 -2.688 1.077 1.00 0.00 C ATOM 1192 C CYS A 88 11.405 -3.535 2.349 1.00 0.00 C ATOM 1193 O CYS A 88 10.378 -3.891 2.924 1.00 0.00 O ATOM 1194 CB CYS A 88 9.909 -2.181 0.812 1.00 0.00 C ATOM 1195 SG CYS A 88 9.049 -1.505 2.281 1.00 0.00 S ATOM 0 H CYS A 88 11.127 -4.054 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 88 11.946 -1.798 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.952 -1.407 0.045 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.316 -3.000 0.406 1.00 0.00 H new ATOM 1200 N THR A 89 12.632 -3.832 2.751 1.00 0.00 N ATOM 1201 CA THR A 89 12.855 -4.630 3.943 1.00 0.00 C ATOM 1202 C THR A 89 13.312 -3.741 5.102 1.00 0.00 C ATOM 1203 O THR A 89 13.282 -4.158 6.260 1.00 0.00 O ATOM 1204 CB THR A 89 13.855 -5.734 3.594 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.866 -6.570 4.748 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.290 -5.215 3.495 1.00 0.00 C ATOM 0 H THR A 89 13.482 -3.534 2.272 1.00 0.00 H new ATOM 0 HA THR A 89 11.932 -5.102 4.280 1.00 0.00 H new ATOM 0 HB THR A 89 13.571 -6.195 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.488 -7.314 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.958 -6.039 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.348 -4.452 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.588 -4.783 4.451 1.00 0.00 H new ATOM 1214 N THR A 90 13.723 -2.532 4.751 1.00 0.00 N ATOM 1215 CA THR A 90 14.187 -1.581 5.747 1.00 0.00 C ATOM 1216 C THR A 90 13.017 -0.746 6.272 1.00 0.00 C ATOM 1217 O THR A 90 12.783 -0.689 7.477 1.00 0.00 O ATOM 1218 CB THR A 90 15.298 -0.738 5.115 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.696 0.149 6.157 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.778 0.187 4.015 1.00 0.00 C ATOM 0 H THR A 90 13.745 -2.189 3.791 1.00 0.00 H new ATOM 0 HA THR A 90 14.600 -2.090 6.618 1.00 0.00 H new ATOM 0 HB THR A 90 16.063 -1.396 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.415 0.732 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.607 0.762 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.319 -0.408 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.037 0.868 4.433 1.00 0.00 H new ATOM 1228 N ALA A 91 12.313 -0.121 5.340 1.00 0.00 N ATOM 1229 CA ALA A 91 11.173 0.708 5.694 1.00 0.00 C ATOM 1230 C ALA A 91 9.904 -0.150 5.693 1.00 0.00 C ATOM 1231 O ALA A 91 9.844 -1.173 5.015 1.00 0.00 O ATOM 1232 CB ALA A 91 11.078 1.888 4.726 1.00 0.00 C ATOM 0 H ALA A 91 12.510 -0.172 4.340 1.00 0.00 H new ATOM 0 HA ALA A 91 11.294 1.118 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.223 2.509 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.990 2.482 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.953 1.515 3.709 1.00 0.00 H new ATOM 1238 N ALA A 92 8.924 0.302 6.461 1.00 0.00 N ATOM 1239 CA ALA A 92 7.662 -0.413 6.557 1.00 0.00 C ATOM 1240 C ALA A 92 6.722 0.072 5.452 1.00 0.00 C ATOM 1241 O ALA A 92 6.366 1.249 5.404 1.00 0.00 O ATOM 1242 CB ALA A 92 7.069 -0.214 7.955 1.00 0.00 C ATOM 0 H ALA A 92 8.977 1.152 7.022 1.00 0.00 H new ATOM 0 HA ALA A 92 7.814 -1.483 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.123 -0.750 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.763 -0.599 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.899 0.848 8.130 1.00 0.00 H new ATOM 1248 N CYS A 93 6.346 -0.861 4.590 1.00 0.00 N ATOM 1249 CA CYS A 93 5.452 -0.544 3.487 1.00 0.00 C ATOM 1250 C CYS A 93 4.013 -0.776 3.951 1.00 0.00 C ATOM 1251 O CYS A 93 3.673 -1.867 4.404 1.00 0.00 O ATOM 1252 CB CYS A 93 5.787 -1.359 2.236 1.00 0.00 C ATOM 1253 SG CYS A 93 7.328 -2.341 2.350 1.00 0.00 S ATOM 0 H CYS A 93 6.643 -1.836 4.632 1.00 0.00 H new ATOM 0 HA CYS A 93 5.576 0.501 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.957 -2.034 2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.868 -0.680 1.388 1.00 0.00 H new ATOM 1258 N GLN A 94 3.209 0.270 3.824 1.00 0.00 N ATOM 1259 CA GLN A 94 1.814 0.193 4.225 1.00 0.00 C ATOM 1260 C GLN A 94 0.911 0.110 2.991 1.00 0.00 C ATOM 1261 O GLN A 94 0.958 0.980 2.123 1.00 0.00 O ATOM 1262 CB GLN A 94 1.432 1.384 5.105 1.00 0.00 C ATOM 1263 CG GLN A 94 0.620 2.411 4.315 1.00 0.00 C ATOM 1264 CD GLN A 94 0.322 3.648 5.167 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.740 3.791 5.749 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.316 4.528 5.205 1.00 0.00 N ATOM 0 H GLN A 94 3.496 1.174 3.450 1.00 0.00 H new ATOM 0 HA GLN A 94 1.674 -0.713 4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.853 1.037 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.333 1.853 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.170 2.705 3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.315 1.961 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.179 4.345 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.216 5.387 5.746 1.00 0.00 H new ATOM 1275 N VAL A 95 0.111 -0.947 2.954 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.801 -1.155 1.842 1.00 0.00 C ATOM 1277 C VAL A 95 -2.133 -0.467 2.146 1.00 0.00 C ATOM 1278 O VAL A 95 -2.684 -0.628 3.234 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.949 -2.651 1.561 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.352 -2.899 0.108 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.334 -3.406 1.911 1.00 0.00 C ATOM 0 H VAL A 95 0.076 -1.667 3.675 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.404 -0.705 0.932 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.746 -3.033 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.450 -3.971 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.305 -2.410 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.588 -2.493 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.200 -4.467 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.159 -3.019 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.559 -3.271 2.969 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.613 0.284 1.166 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.870 0.997 1.315 1.00 0.00 C ATOM 1293 C GLY A 96 -4.194 1.806 0.057 1.00 0.00 C ATOM 1294 O GLY A 96 -3.369 1.905 -0.852 1.00 0.00 O ATOM 0 H GLY A 96 -2.153 0.414 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.674 0.287 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.814 1.663 2.176 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.395 2.362 0.043 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.839 3.161 -1.088 1.00 0.00 C ATOM 1300 C LEU A 97 -5.854 4.638 -0.689 1.00 0.00 C ATOM 1301 O LEU A 97 -6.309 4.986 0.399 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.184 2.650 -1.609 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.233 2.317 -0.545 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.641 2.652 -1.041 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.114 0.860 -0.096 1.00 0.00 C ATOM 0 H LEU A 97 -6.076 2.276 0.797 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.143 3.063 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.601 3.402 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.004 1.756 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.043 2.939 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.368 2.406 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.702 3.716 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.858 2.073 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.870 0.649 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.263 0.202 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.123 0.689 0.325 1.00 0.00 H new ATOM 1317 N SER A 98 -5.350 5.465 -1.593 1.00 0.00 N ATOM 1318 CA SER A 98 -5.301 6.896 -1.350 1.00 0.00 C ATOM 1319 C SER A 98 -6.365 7.608 -2.188 1.00 0.00 C ATOM 1320 O SER A 98 -6.839 7.065 -3.186 1.00 0.00 O ATOM 1321 CB SER A 98 -3.914 7.461 -1.666 1.00 0.00 C ATOM 1322 OG SER A 98 -3.563 7.281 -3.036 1.00 0.00 O ATOM 0 H SER A 98 -4.972 5.172 -2.494 1.00 0.00 H new ATOM 0 HA SER A 98 -5.504 7.069 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.891 8.523 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.171 6.973 -1.034 1.00 0.00 H new ATOM 0 HG SER A 98 -2.672 7.656 -3.197 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.712 8.810 -1.752 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.712 9.600 -2.447 1.00 0.00 C ATOM 1330 C ASP A 99 -7.149 10.054 -3.796 1.00 0.00 C ATOM 1331 O ASP A 99 -5.936 10.049 -3.998 1.00 0.00 O ATOM 1332 CB ASP A 99 -8.087 10.847 -1.645 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.954 10.704 -0.128 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.939 11.759 0.544 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.873 9.543 0.327 1.00 0.00 O ATOM 0 H ASP A 99 -6.317 9.256 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.598 8.980 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.458 11.675 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.117 11.116 -1.881 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.057 10.437 -4.682 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.665 10.894 -6.003 1.00 0.00 C ATOM 1343 C ALA A 100 -7.248 12.366 -5.927 1.00 0.00 C ATOM 1344 O ALA A 100 -6.789 12.937 -6.915 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.816 10.666 -6.986 1.00 0.00 C ATOM 0 H ALA A 100 -9.062 10.440 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.808 10.326 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.521 11.009 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.055 9.603 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.693 11.223 -6.655 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.423 12.937 -4.744 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.069 14.329 -4.526 1.00 0.00 C ATOM 1353 C ALA A 101 -5.565 14.435 -4.270 1.00 0.00 C ATOM 1354 O ALA A 101 -4.793 14.699 -5.191 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.900 14.891 -3.370 1.00 0.00 C ATOM 0 H ALA A 101 -7.805 12.461 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.294 14.926 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.635 15.935 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.960 14.820 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.698 14.319 -2.465 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.195 14.227 -3.015 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.796 14.295 -2.627 1.00 0.00 C ATOM 1363 C GLY A 102 -3.623 13.966 -1.144 1.00 0.00 C ATOM 1364 O GLY A 102 -2.772 14.547 -0.471 1.00 0.00 O ATOM 0 H GLY A 102 -5.839 14.011 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.214 13.597 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.407 15.293 -2.830 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.441 13.036 -0.677 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.388 12.621 0.714 1.00 0.00 C ATOM 1370 C ASN A 103 -4.791 11.150 0.821 1.00 0.00 C ATOM 1371 O ASN A 103 -5.370 10.592 -0.110 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.357 13.440 1.570 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.874 14.884 1.719 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.045 15.204 2.556 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -5.434 15.733 0.865 1.00 0.00 N ATOM 0 H ASN A 103 -5.146 12.557 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.370 12.775 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.347 13.430 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.454 12.982 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.177 16.720 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.121 15.398 0.190 1.00 0.00 H new ATOM 1382 N GLY A 104 -4.469 10.562 1.963 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.791 9.165 2.203 1.00 0.00 C ATOM 1384 C GLY A 104 -4.004 8.617 3.395 1.00 0.00 C ATOM 1385 O GLY A 104 -2.977 7.963 3.218 1.00 0.00 O ATOM 0 H GLY A 104 -3.988 11.027 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.860 9.062 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.565 8.578 1.313 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.526 8.916 4.615 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.884 8.461 5.838 1.00 0.00 C ATOM 1391 C PRO A 105 -4.125 6.966 6.058 1.00 0.00 C ATOM 1392 O PRO A 105 -3.565 6.374 6.980 1.00 0.00 O ATOM 1393 CB PRO A 105 -4.473 9.327 6.937 1.00 0.00 C ATOM 1394 CG PRO A 105 -5.755 9.912 6.366 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.740 9.690 4.863 1.00 0.00 C ATOM 0 HA PRO A 105 -2.799 8.564 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.677 8.738 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.779 10.116 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.626 9.433 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.824 10.976 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.628 9.150 4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.723 10.637 4.323 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.960 6.399 5.201 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.283 4.986 5.293 1.00 0.00 C ATOM 1405 C GLU A 106 -4.119 4.141 4.771 1.00 0.00 C ATOM 1406 O GLU A 106 -3.422 4.545 3.840 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.575 4.667 4.536 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.722 4.379 5.506 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.350 5.678 6.015 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.788 6.239 6.980 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.376 6.080 5.427 1.00 0.00 O ATOM 0 H GLU A 106 -5.423 6.893 4.438 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.445 4.738 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.840 5.506 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.417 3.805 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.481 3.775 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.352 3.795 6.349 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.944 2.985 5.392 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.876 2.081 5.004 1.00 0.00 C ATOM 1421 C GLY A 107 -2.279 1.378 6.223 1.00 0.00 C ATOM 1422 O GLY A 107 -1.941 2.025 7.214 1.00 0.00 O ATOM 0 H GLY A 107 -4.525 2.653 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.260 1.339 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.096 2.637 4.483 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.166 0.062 6.114 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.614 -0.735 7.197 1.00 0.00 C ATOM 1428 C VAL A 108 -0.202 -1.189 6.821 1.00 0.00 C ATOM 1429 O VAL A 108 0.029 -1.648 5.703 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.553 -1.899 7.519 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.406 -3.022 6.489 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.312 -2.421 8.938 1.00 0.00 C ATOM 0 H VAL A 108 -2.447 -0.472 5.292 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.531 -0.141 8.107 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.577 -1.529 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.084 -3.837 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.649 -2.640 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.380 -3.389 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.992 -3.248 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.282 -2.767 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.490 -1.620 9.655 1.00 0.00 H new ATOM 1442 N ALA A 109 0.703 -1.050 7.778 1.00 0.00 N ATOM 1443 CA ALA A 109 2.086 -1.442 7.562 1.00 0.00 C ATOM 1444 C ALA A 109 2.172 -2.966 7.471 1.00 0.00 C ATOM 1445 O ALA A 109 2.281 -3.648 8.490 1.00 0.00 O ATOM 1446 CB ALA A 109 2.959 -0.875 8.683 1.00 0.00 C ATOM 0 H ALA A 109 0.506 -0.672 8.705 1.00 0.00 H new ATOM 0 HA ALA A 109 2.457 -1.034 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.996 -1.169 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.887 0.213 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.617 -1.264 9.642 1.00 0.00 H new ATOM 1452 N ILE A 110 2.118 -3.458 6.242 1.00 0.00 N ATOM 1453 CA ILE A 110 2.188 -4.890 6.005 1.00 0.00 C ATOM 1454 C ILE A 110 3.590 -5.253 5.514 1.00 0.00 C ATOM 1455 O ILE A 110 4.220 -4.480 4.793 1.00 0.00 O ATOM 1456 CB ILE A 110 1.073 -5.331 5.056 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.278 -6.498 5.647 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.629 -5.660 3.671 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.497 -6.060 6.892 1.00 0.00 C ATOM 0 H ILE A 110 2.027 -2.890 5.400 1.00 0.00 H new ATOM 0 HA ILE A 110 2.022 -5.438 6.933 1.00 0.00 H new ATOM 0 HB ILE A 110 0.380 -4.498 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.415 -6.885 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.956 -7.311 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.815 -5.971 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.113 -4.777 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.357 -6.467 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.053 -6.908 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.201 -5.696 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.192 -5.263 6.626 1.00 0.00 H new ATOM 1471 N SER A 111 4.041 -6.429 5.926 1.00 0.00 N ATOM 1472 CA SER A 111 5.357 -6.904 5.538 1.00 0.00 C ATOM 1473 C SER A 111 5.866 -7.929 6.555 1.00 0.00 C ATOM 1474 O SER A 111 6.215 -9.050 6.190 1.00 0.00 O ATOM 1475 CB SER A 111 6.347 -5.743 5.414 1.00 0.00 C ATOM 1476 OG SER A 111 7.693 -6.166 5.614 1.00 0.00 O ATOM 0 H SER A 111 3.517 -7.067 6.525 1.00 0.00 H new ATOM 0 HA SER A 111 5.273 -7.382 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.252 -5.289 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.097 -4.973 6.144 1.00 0.00 H new ATOM 0 HG SER A 111 8.276 -5.381 5.684 1.00 0.00 H new