USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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 26 LYS NZ :NH3+ 155:sc= 0.013 (180deg=-0.714) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 1 GLY N :NH3+ 168:sc= -0.0563 (180deg=-0.0585) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.02) USER MOD Single : A 4 MET CE :methyl -178:sc= 0 (180deg=-0.0163) USER MOD Single : A 7 SER OG : rot 75:sc= 0.955 USER MOD Single : A 8 SER OG : rot 73:sc= 0.872 USER MOD Single : A 12 SER OG : rot 74:sc= 0.885 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 177:sc= 1.06 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.199 (180deg=0.113) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.673 USER MOD Single : A 57 ASN : amide:sc= 0.402 X(o=0.4,f=-0.082) USER MOD Single : A 58 GLN : amide:sc= 0.868 K(o=0.87,f=-0.029) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00493 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.000502 USER MOD Single : A 81 HIS : no HE2:sc= 0.415 K(o=0.41,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.322 18.095 -12.217 1.00 1.00 N ATOM 2 CA GLY A 1 17.094 16.661 -12.419 1.00 1.00 C ATOM 3 C GLY A 1 16.276 15.978 -11.313 1.00 1.00 C ATOM 4 O GLY A 1 15.940 14.799 -11.436 1.00 1.00 O ATOM 0 H1 GLY A 1 18.041 18.430 -12.889 1.00 1.00 H new ATOM 0 H2 GLY A 1 16.434 18.613 -12.373 1.00 1.00 H new ATOM 0 H3 GLY A 1 17.653 18.260 -11.245 1.00 1.00 H new ATOM 0 HA2 GLY A 1 16.582 16.519 -13.371 1.00 1.00 H new ATOM 0 HA3 GLY A 1 18.059 16.161 -12.499 1.00 1.00 H new ATOM 8 N SER A 2 15.927 16.701 -10.243 1.00 1.00 N ATOM 9 CA SER A 2 15.231 16.180 -9.052 1.00 1.00 C ATOM 10 C SER A 2 13.901 15.475 -9.351 1.00 1.00 C ATOM 11 O SER A 2 13.536 14.534 -8.649 1.00 1.00 O ATOM 12 CB SER A 2 14.984 17.310 -8.044 1.00 1.00 C ATOM 13 OG SER A 2 16.205 17.957 -7.712 1.00 1.00 O ATOM 0 H SER A 2 16.126 17.699 -10.176 1.00 1.00 H new ATOM 0 HA SER A 2 15.898 15.424 -8.637 1.00 1.00 H new ATOM 0 HB2 SER A 2 14.285 18.033 -8.464 1.00 1.00 H new ATOM 0 HB3 SER A 2 14.523 16.907 -7.143 1.00 1.00 H new ATOM 0 HG SER A 2 16.030 18.676 -7.070 1.00 1.00 H new ATOM 19 N HIS A 3 13.197 15.863 -10.420 1.00 1.00 N ATOM 20 CA HIS A 3 11.968 15.197 -10.872 1.00 1.00 C ATOM 21 C HIS A 3 12.184 13.713 -11.232 1.00 1.00 C ATOM 22 O HIS A 3 11.305 12.884 -10.986 1.00 1.00 O ATOM 23 CB HIS A 3 11.385 15.961 -12.070 1.00 1.00 C ATOM 24 CG HIS A 3 11.089 17.413 -11.778 1.00 1.00 C ATOM 25 ND1 HIS A 3 10.136 17.894 -10.907 1.00 1.00 N ATOM 26 CD2 HIS A 3 11.722 18.500 -12.320 1.00 1.00 C ATOM 27 CE1 HIS A 3 10.195 19.237 -10.919 1.00 1.00 C ATOM 28 NE2 HIS A 3 11.151 19.656 -11.769 1.00 1.00 N ATOM 0 H HIS A 3 13.466 16.656 -11.002 1.00 1.00 H new ATOM 0 HA HIS A 3 11.264 15.211 -10.040 1.00 1.00 H new ATOM 0 HB2 HIS A 3 12.086 15.903 -12.903 1.00 1.00 H new ATOM 0 HB3 HIS A 3 10.467 15.470 -12.391 1.00 1.00 H new ATOM 0 HD2 HIS A 3 12.522 18.472 -13.045 1.00 1.00 H new ATOM 0 HE1 HIS A 3 9.565 19.887 -10.330 1.00 1.00 H new ATOM 0 HE2 HIS A 3 11.409 20.622 -11.972 1.00 1.00 H new ATOM 36 N MET A 4 13.361 13.352 -11.758 1.00 1.00 N ATOM 37 CA MET A 4 13.728 11.957 -12.049 1.00 1.00 C ATOM 38 C MET A 4 14.045 11.166 -10.773 1.00 1.00 C ATOM 39 O MET A 4 13.736 9.977 -10.695 1.00 1.00 O ATOM 40 CB MET A 4 14.931 11.903 -13.006 1.00 1.00 C ATOM 41 CG MET A 4 14.685 12.620 -14.342 1.00 1.00 C ATOM 42 SD MET A 4 13.241 12.068 -15.299 1.00 1.00 S ATOM 43 CE MET A 4 13.797 10.407 -15.766 1.00 1.00 C ATOM 0 H MET A 4 14.092 14.023 -11.996 1.00 1.00 H new ATOM 0 HA MET A 4 12.864 11.493 -12.525 1.00 1.00 H new ATOM 0 HB2 MET A 4 15.795 12.352 -12.516 1.00 1.00 H new ATOM 0 HB3 MET A 4 15.182 10.861 -13.203 1.00 1.00 H new ATOM 0 HG2 MET A 4 14.576 13.686 -14.143 1.00 1.00 H new ATOM 0 HG3 MET A 4 15.573 12.501 -14.963 1.00 1.00 H new ATOM 0 HE1 MET A 4 13.041 9.933 -16.392 1.00 1.00 H new ATOM 0 HE2 MET A 4 14.734 10.479 -16.319 1.00 1.00 H new ATOM 0 HE3 MET A 4 13.951 9.809 -14.868 1.00 1.00 H new ATOM 53 N LEU A 5 14.616 11.818 -9.753 1.00 1.00 N ATOM 54 CA LEU A 5 14.867 11.212 -8.439 1.00 1.00 C ATOM 55 C LEU A 5 13.554 10.952 -7.682 1.00 1.00 C ATOM 56 O LEU A 5 13.365 9.874 -7.120 1.00 1.00 O ATOM 57 CB LEU A 5 15.811 12.106 -7.611 1.00 1.00 C ATOM 58 CG LEU A 5 17.180 12.381 -8.265 1.00 1.00 C ATOM 59 CD1 LEU A 5 17.998 13.319 -7.377 1.00 1.00 C ATOM 60 CD2 LEU A 5 17.995 11.103 -8.487 1.00 1.00 C ATOM 0 H LEU A 5 14.920 12.790 -9.817 1.00 1.00 H new ATOM 0 HA LEU A 5 15.350 10.248 -8.597 1.00 1.00 H new ATOM 0 HB2 LEU A 5 15.315 13.059 -7.424 1.00 1.00 H new ATOM 0 HB3 LEU A 5 15.975 11.637 -6.641 1.00 1.00 H new ATOM 0 HG LEU A 5 16.978 12.832 -9.237 1.00 1.00 H new ATOM 0 HD11 LEU A 5 18.965 13.510 -7.843 1.00 1.00 H new ATOM 0 HD12 LEU A 5 17.463 14.260 -7.252 1.00 1.00 H new ATOM 0 HD13 LEU A 5 18.151 12.856 -6.402 1.00 1.00 H new ATOM 0 HD21 LEU A 5 18.949 11.356 -8.950 1.00 1.00 H new ATOM 0 HD22 LEU A 5 18.174 10.615 -7.529 1.00 1.00 H new ATOM 0 HD23 LEU A 5 17.442 10.428 -9.140 1.00 1.00 H new ATOM 72 N GLU A 6 12.610 11.898 -7.729 1.00 1.00 N ATOM 73 CA GLU A 6 11.250 11.714 -7.201 1.00 1.00 C ATOM 74 C GLU A 6 10.482 10.619 -7.958 1.00 1.00 C ATOM 75 O GLU A 6 9.850 9.770 -7.329 1.00 1.00 O ATOM 76 CB GLU A 6 10.472 13.042 -7.254 1.00 1.00 C ATOM 77 CG GLU A 6 10.994 14.110 -6.280 1.00 1.00 C ATOM 78 CD GLU A 6 10.763 13.721 -4.814 1.00 1.00 C ATOM 79 OE1 GLU A 6 9.641 13.969 -4.308 1.00 1.00 O ATOM 80 OE2 GLU A 6 11.703 13.170 -4.193 1.00 1.00 O ATOM 0 H GLU A 6 12.767 12.820 -8.137 1.00 1.00 H new ATOM 0 HA GLU A 6 11.344 11.392 -6.164 1.00 1.00 H new ATOM 0 HB2 GLU A 6 10.516 13.437 -8.269 1.00 1.00 H new ATOM 0 HB3 GLU A 6 9.423 12.846 -7.034 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.060 14.264 -6.450 1.00 1.00 H new ATOM 0 HG3 GLU A 6 10.498 15.059 -6.485 1.00 1.00 H new ATOM 87 N SER A 7 10.594 10.567 -9.291 1.00 1.00 N ATOM 88 CA SER A 7 10.021 9.478 -10.101 1.00 1.00 C ATOM 89 C SER A 7 10.614 8.115 -9.723 1.00 1.00 C ATOM 90 O SER A 7 9.875 7.144 -9.571 1.00 1.00 O ATOM 91 CB SER A 7 10.231 9.722 -11.601 1.00 1.00 C ATOM 92 OG SER A 7 9.575 10.906 -12.024 1.00 1.00 O ATOM 0 H SER A 7 11.082 11.275 -9.840 1.00 1.00 H new ATOM 0 HA SER A 7 8.952 9.467 -9.888 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.297 9.798 -11.814 1.00 1.00 H new ATOM 0 HB3 SER A 7 9.852 8.871 -12.167 1.00 1.00 H new ATOM 0 HG SER A 7 10.083 11.687 -11.721 1.00 1.00 H new ATOM 98 N SER A 8 11.930 8.042 -9.495 1.00 1.00 N ATOM 99 CA SER A 8 12.613 6.819 -9.041 1.00 1.00 C ATOM 100 C SER A 8 12.154 6.375 -7.646 1.00 1.00 C ATOM 101 O SER A 8 11.966 5.180 -7.416 1.00 1.00 O ATOM 102 CB SER A 8 14.136 7.005 -9.040 1.00 1.00 C ATOM 103 OG SER A 8 14.619 7.287 -10.343 1.00 1.00 O ATOM 0 H SER A 8 12.559 8.835 -9.621 1.00 1.00 H new ATOM 0 HA SER A 8 12.342 6.037 -9.751 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.405 7.818 -8.366 1.00 1.00 H new ATOM 0 HB3 SER A 8 14.615 6.103 -8.659 1.00 1.00 H new ATOM 0 HG SER A 8 14.375 8.203 -10.591 1.00 1.00 H new ATOM 109 N ALA A 9 11.919 7.314 -6.723 1.00 1.00 N ATOM 110 CA ALA A 9 11.358 7.026 -5.401 1.00 1.00 C ATOM 111 C ALA A 9 9.903 6.518 -5.475 1.00 1.00 C ATOM 112 O ALA A 9 9.553 5.550 -4.801 1.00 1.00 O ATOM 113 CB ALA A 9 11.472 8.286 -4.534 1.00 1.00 C ATOM 0 H ALA A 9 12.115 8.303 -6.875 1.00 1.00 H new ATOM 0 HA ALA A 9 11.929 6.216 -4.948 1.00 1.00 H new ATOM 0 HB1 ALA A 9 11.058 8.086 -3.546 1.00 1.00 H new ATOM 0 HB2 ALA A 9 12.521 8.568 -4.438 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.919 9.101 -5.001 1.00 1.00 H new ATOM 119 N GLU A 10 9.063 7.115 -6.326 1.00 1.00 N ATOM 120 CA GLU A 10 7.685 6.655 -6.566 1.00 1.00 C ATOM 121 C GLU A 10 7.634 5.270 -7.235 1.00 1.00 C ATOM 122 O GLU A 10 6.825 4.427 -6.848 1.00 1.00 O ATOM 123 CB GLU A 10 6.926 7.685 -7.417 1.00 1.00 C ATOM 124 CG GLU A 10 6.580 8.952 -6.621 1.00 1.00 C ATOM 125 CD GLU A 10 5.905 9.996 -7.518 1.00 1.00 C ATOM 126 OE1 GLU A 10 4.660 9.927 -7.666 1.00 1.00 O ATOM 127 OE2 GLU A 10 6.625 10.870 -8.061 1.00 1.00 O ATOM 0 H GLU A 10 9.319 7.937 -6.873 1.00 1.00 H new ATOM 0 HA GLU A 10 7.203 6.557 -5.593 1.00 1.00 H new ATOM 0 HB2 GLU A 10 7.531 7.955 -8.282 1.00 1.00 H new ATOM 0 HB3 GLU A 10 6.009 7.235 -7.797 1.00 1.00 H new ATOM 0 HG2 GLU A 10 5.919 8.697 -5.793 1.00 1.00 H new ATOM 0 HG3 GLU A 10 7.487 9.372 -6.187 1.00 1.00 H new ATOM 134 N GLU A 11 8.523 4.989 -8.191 1.00 1.00 N ATOM 135 CA GLU A 11 8.669 3.656 -8.794 1.00 1.00 C ATOM 136 C GLU A 11 9.198 2.613 -7.795 1.00 1.00 C ATOM 137 O GLU A 11 8.756 1.462 -7.809 1.00 1.00 O ATOM 138 CB GLU A 11 9.592 3.733 -10.022 1.00 1.00 C ATOM 139 CG GLU A 11 8.903 4.401 -11.221 1.00 1.00 C ATOM 140 CD GLU A 11 9.892 4.616 -12.375 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.167 3.633 -13.105 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.376 5.763 -12.539 1.00 1.00 O ATOM 0 H GLU A 11 9.167 5.682 -8.573 1.00 1.00 H new ATOM 0 HA GLU A 11 7.676 3.328 -9.101 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.492 4.291 -9.764 1.00 1.00 H new ATOM 0 HB3 GLU A 11 9.909 2.728 -10.300 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.073 3.781 -11.560 1.00 1.00 H new ATOM 0 HG3 GLU A 11 8.482 5.359 -10.915 1.00 1.00 H new ATOM 149 N SER A 12 10.087 3.009 -6.878 1.00 1.00 N ATOM 150 CA SER A 12 10.536 2.147 -5.775 1.00 1.00 C ATOM 151 C SER A 12 9.398 1.839 -4.797 1.00 1.00 C ATOM 152 O SER A 12 9.258 0.700 -4.354 1.00 1.00 O ATOM 153 CB SER A 12 11.712 2.774 -5.014 1.00 1.00 C ATOM 154 OG SER A 12 12.830 2.959 -5.867 1.00 1.00 O ATOM 0 H SER A 12 10.516 3.934 -6.878 1.00 1.00 H new ATOM 0 HA SER A 12 10.868 1.212 -6.227 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.408 3.733 -4.594 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.991 2.134 -4.177 1.00 1.00 H new ATOM 0 HG SER A 12 12.660 3.713 -6.470 1.00 1.00 H new ATOM 160 N LEU A 13 8.530 2.813 -4.503 1.00 1.00 N ATOM 161 CA LEU A 13 7.325 2.593 -3.697 1.00 1.00 C ATOM 162 C LEU A 13 6.346 1.658 -4.419 1.00 1.00 C ATOM 163 O LEU A 13 5.827 0.737 -3.797 1.00 1.00 O ATOM 164 CB LEU A 13 6.708 3.959 -3.335 1.00 1.00 C ATOM 165 CG LEU A 13 5.524 3.907 -2.344 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.355 5.277 -1.687 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.181 3.570 -3.005 1.00 1.00 C ATOM 0 H LEU A 13 8.644 3.777 -4.818 1.00 1.00 H new ATOM 0 HA LEU A 13 7.582 2.088 -2.766 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.488 4.590 -2.910 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.371 4.442 -4.253 1.00 1.00 H new ATOM 0 HG LEU A 13 5.767 3.119 -1.631 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.520 5.244 -0.987 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.268 5.539 -1.152 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.156 6.026 -2.454 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.397 3.551 -2.248 1.00 1.00 H new ATOM 0 HD22 LEU A 13 3.944 4.326 -3.754 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.246 2.593 -3.484 1.00 1.00 H new ATOM 179 N ALA A 14 6.138 1.826 -5.728 1.00 1.00 N ATOM 180 CA ALA A 14 5.315 0.917 -6.529 1.00 1.00 C ATOM 181 C ALA A 14 5.847 -0.533 -6.501 1.00 1.00 C ATOM 182 O ALA A 14 5.065 -1.481 -6.433 1.00 1.00 O ATOM 183 CB ALA A 14 5.207 1.463 -7.958 1.00 1.00 C ATOM 0 H ALA A 14 6.537 2.598 -6.263 1.00 1.00 H new ATOM 0 HA ALA A 14 4.318 0.872 -6.091 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.595 0.790 -8.559 1.00 1.00 H new ATOM 0 HB2 ALA A 14 4.746 2.451 -7.936 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.203 1.537 -8.396 1.00 1.00 H new ATOM 189 N TYR A 15 7.172 -0.716 -6.488 1.00 1.00 N ATOM 190 CA TYR A 15 7.812 -2.027 -6.312 1.00 1.00 C ATOM 191 C TYR A 15 7.585 -2.619 -4.906 1.00 1.00 C ATOM 192 O TYR A 15 7.297 -3.812 -4.780 1.00 1.00 O ATOM 193 CB TYR A 15 9.307 -1.915 -6.638 1.00 1.00 C ATOM 194 CG TYR A 15 10.027 -3.249 -6.609 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.821 -4.174 -7.651 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.870 -3.578 -5.528 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.452 -5.432 -7.614 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.507 -4.834 -5.492 1.00 1.00 C ATOM 199 CZ TYR A 15 11.300 -5.766 -6.533 1.00 1.00 C ATOM 200 OH TYR A 15 11.916 -6.979 -6.487 1.00 1.00 O ATOM 0 H TYR A 15 7.838 0.049 -6.600 1.00 1.00 H new ATOM 0 HA TYR A 15 7.342 -2.724 -7.006 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.424 -1.468 -7.625 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.778 -1.240 -5.924 1.00 1.00 H new ATOM 0 HD1 TYR A 15 9.178 -3.918 -8.480 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.027 -2.869 -4.729 1.00 1.00 H new ATOM 0 HE1 TYR A 15 10.288 -6.142 -8.411 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.156 -5.085 -4.666 1.00 1.00 H new ATOM 0 HH TYR A 15 12.462 -7.038 -5.675 1.00 1.00 H new ATOM 210 N ARG A 16 7.639 -1.799 -3.845 1.00 1.00 N ATOM 211 CA ARG A 16 7.270 -2.215 -2.473 1.00 1.00 C ATOM 212 C ARG A 16 5.787 -2.559 -2.345 1.00 1.00 C ATOM 213 O ARG A 16 5.444 -3.538 -1.686 1.00 1.00 O ATOM 214 CB ARG A 16 7.641 -1.127 -1.448 1.00 1.00 C ATOM 215 CG ARG A 16 9.157 -0.916 -1.316 1.00 1.00 C ATOM 216 CD ARG A 16 9.499 0.222 -0.346 1.00 1.00 C ATOM 217 NE ARG A 16 9.104 -0.089 1.042 1.00 1.00 N ATOM 218 CZ ARG A 16 9.135 0.746 2.067 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.537 1.986 1.957 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.755 0.347 3.250 1.00 1.00 N ATOM 0 H ARG A 16 7.940 -0.826 -3.909 1.00 1.00 H new ATOM 0 HA ARG A 16 7.840 -3.120 -2.262 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.173 -0.187 -1.740 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.232 -1.398 -0.475 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.622 -1.839 -0.970 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.579 -0.695 -2.297 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.571 0.417 -0.382 1.00 1.00 H new ATOM 0 HD3 ARG A 16 8.998 1.135 -0.669 1.00 1.00 H new ATOM 0 HE ARG A 16 8.776 -1.037 1.228 1.00 1.00 H new ATOM 0 HH11 ARG A 16 9.843 2.344 1.053 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.544 2.594 2.776 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.433 -0.611 3.386 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.780 0.993 4.039 1.00 1.00 H new ATOM 234 N GLU A 17 4.908 -1.807 -3.003 1.00 1.00 N ATOM 235 CA GLU A 17 3.484 -2.138 -3.108 1.00 1.00 C ATOM 236 C GLU A 17 3.254 -3.462 -3.848 1.00 1.00 C ATOM 237 O GLU A 17 2.411 -4.246 -3.428 1.00 1.00 O ATOM 238 CB GLU A 17 2.702 -1.008 -3.791 1.00 1.00 C ATOM 239 CG GLU A 17 2.369 0.123 -2.810 1.00 1.00 C ATOM 240 CD GLU A 17 1.520 1.241 -3.436 1.00 1.00 C ATOM 241 OE1 GLU A 17 1.593 1.447 -4.672 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.791 1.904 -2.662 1.00 1.00 O ATOM 0 H GLU A 17 5.163 -0.944 -3.483 1.00 1.00 H new ATOM 0 HA GLU A 17 3.113 -2.256 -2.090 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.287 -0.610 -4.620 1.00 1.00 H new ATOM 0 HB3 GLU A 17 1.780 -1.407 -4.213 1.00 1.00 H new ATOM 0 HG2 GLU A 17 1.836 -0.293 -1.955 1.00 1.00 H new ATOM 0 HG3 GLU A 17 3.297 0.550 -2.431 1.00 1.00 H new ATOM 249 N ASP A 18 4.019 -3.767 -4.901 1.00 1.00 N ATOM 250 CA ASP A 18 3.877 -5.017 -5.661 1.00 1.00 C ATOM 251 C ASP A 18 4.144 -6.278 -4.815 1.00 1.00 C ATOM 252 O ASP A 18 3.572 -7.330 -5.098 1.00 1.00 O ATOM 253 CB ASP A 18 4.770 -4.978 -6.909 1.00 1.00 C ATOM 254 CG ASP A 18 4.508 -6.173 -7.833 1.00 1.00 C ATOM 255 OD1 ASP A 18 3.390 -6.237 -8.397 1.00 1.00 O ATOM 256 OD2 ASP A 18 5.426 -7.014 -7.986 1.00 1.00 O ATOM 0 H ASP A 18 4.755 -3.155 -5.252 1.00 1.00 H new ATOM 0 HA ASP A 18 2.834 -5.088 -5.971 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.593 -4.051 -7.454 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.817 -4.975 -6.607 1.00 1.00 H new ATOM 261 N ASP A 19 4.939 -6.184 -3.741 1.00 1.00 N ATOM 262 CA ASP A 19 5.072 -7.277 -2.761 1.00 1.00 C ATOM 263 C ASP A 19 3.745 -7.588 -2.033 1.00 1.00 C ATOM 264 O ASP A 19 3.469 -8.741 -1.696 1.00 1.00 O ATOM 265 CB ASP A 19 6.172 -6.930 -1.747 1.00 1.00 C ATOM 266 CG ASP A 19 6.415 -8.074 -0.755 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.077 -9.061 -1.151 1.00 1.00 O ATOM 268 OD2 ASP A 19 5.942 -7.959 0.401 1.00 1.00 O ATOM 0 H ASP A 19 5.502 -5.361 -3.526 1.00 1.00 H new ATOM 0 HA ASP A 19 5.346 -8.178 -3.310 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.098 -6.706 -2.277 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.892 -6.029 -1.201 1.00 1.00 H new ATOM 273 N LEU A 20 2.897 -6.574 -1.825 1.00 1.00 N ATOM 274 CA LEU A 20 1.589 -6.693 -1.168 1.00 1.00 C ATOM 275 C LEU A 20 0.547 -7.407 -2.052 1.00 1.00 C ATOM 276 O LEU A 20 -0.436 -7.935 -1.535 1.00 1.00 O ATOM 277 CB LEU A 20 1.076 -5.302 -0.738 1.00 1.00 C ATOM 278 CG LEU A 20 2.100 -4.393 -0.034 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.464 -3.043 0.302 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.672 -5.013 1.242 1.00 1.00 C ATOM 0 H LEU A 20 3.108 -5.620 -2.118 1.00 1.00 H new ATOM 0 HA LEU A 20 1.729 -7.312 -0.282 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.707 -4.783 -1.623 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.225 -5.441 -0.072 1.00 1.00 H new ATOM 0 HG LEU A 20 2.927 -4.261 -0.732 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.198 -2.409 0.800 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.130 -2.560 -0.616 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.611 -3.197 0.962 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.387 -4.325 1.692 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.863 -5.207 1.946 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.174 -5.949 0.998 1.00 1.00 H new ATOM 292 N ARG A 21 0.783 -7.500 -3.371 1.00 1.00 N ATOM 293 CA ARG A 21 -0.012 -8.312 -4.320 1.00 1.00 C ATOM 294 C ARG A 21 0.108 -9.830 -4.072 1.00 1.00 C ATOM 295 O ARG A 21 -0.625 -10.620 -4.662 1.00 1.00 O ATOM 296 CB ARG A 21 0.380 -7.933 -5.762 1.00 1.00 C ATOM 297 CG ARG A 21 -0.764 -8.163 -6.766 1.00 1.00 C ATOM 298 CD ARG A 21 -0.329 -7.889 -8.211 1.00 1.00 C ATOM 299 NE ARG A 21 -0.014 -6.467 -8.444 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.002 -5.856 -9.617 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.306 -6.465 -10.732 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.295 -4.590 -9.697 1.00 1.00 N ATOM 0 H ARG A 21 1.550 -7.002 -3.823 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.065 -8.082 -4.158 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.678 -6.885 -5.790 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.248 -8.519 -6.065 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.117 -9.191 -6.683 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.604 -7.516 -6.512 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.546 -8.495 -8.445 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.122 -8.199 -8.891 1.00 1.00 H new ATOM 0 HE ARG A 21 0.216 -5.903 -7.626 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.566 -7.451 -10.720 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.283 -5.954 -11.615 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.520 -4.065 -8.852 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.303 -4.124 -10.604 1.00 1.00 H new ATOM 316 N GLY A 22 1.008 -10.245 -3.175 1.00 1.00 N ATOM 317 CA GLY A 22 1.133 -11.615 -2.665 1.00 1.00 C ATOM 318 C GLY A 22 0.579 -11.797 -1.243 1.00 1.00 C ATOM 319 O GLY A 22 0.938 -12.773 -0.579 1.00 1.00 O ATOM 0 H GLY A 22 1.696 -9.612 -2.768 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.610 -12.293 -3.339 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.184 -11.903 -2.676 1.00 1.00 H new ATOM 323 N ARG A 23 -0.258 -10.864 -0.754 1.00 1.00 N ATOM 324 CA ARG A 23 -0.744 -10.804 0.639 1.00 1.00 C ATOM 325 C ARG A 23 -2.253 -10.569 0.741 1.00 1.00 C ATOM 326 O ARG A 23 -2.895 -10.046 -0.174 1.00 1.00 O ATOM 327 CB ARG A 23 -0.006 -9.700 1.411 1.00 1.00 C ATOM 328 CG ARG A 23 1.516 -9.887 1.413 1.00 1.00 C ATOM 329 CD ARG A 23 2.127 -8.899 2.402 1.00 1.00 C ATOM 330 NE ARG A 23 3.599 -8.919 2.341 1.00 1.00 N ATOM 331 CZ ARG A 23 4.427 -9.581 3.133 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.024 -10.322 4.134 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.710 -9.509 2.919 1.00 1.00 N ATOM 0 H ARG A 23 -0.626 -10.109 -1.333 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.537 -11.780 1.078 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.247 -8.733 0.971 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.366 -9.681 2.440 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.771 -10.909 1.693 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.919 -9.720 0.414 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.766 -7.894 2.185 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.800 -9.144 3.412 1.00 1.00 H new ATOM 0 HE ARG A 23 4.029 -8.359 1.605 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.028 -10.410 4.335 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.706 -10.811 4.713 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.067 -8.946 2.147 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.357 -10.015 3.523 1.00 1.00 H new ATOM 347 N LEU A 24 -2.800 -10.928 1.901 1.00 1.00 N ATOM 348 CA LEU A 24 -4.181 -10.629 2.288 1.00 1.00 C ATOM 349 C LEU A 24 -4.262 -9.239 2.947 1.00 1.00 C ATOM 350 O LEU A 24 -3.297 -8.733 3.525 1.00 1.00 O ATOM 351 CB LEU A 24 -4.704 -11.696 3.282 1.00 1.00 C ATOM 352 CG LEU A 24 -5.112 -13.085 2.754 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.187 -13.018 1.672 1.00 1.00 C ATOM 354 CD2 LEU A 24 -3.939 -13.903 2.213 1.00 1.00 C ATOM 0 H LEU A 24 -2.286 -11.446 2.614 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.798 -10.640 1.389 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.932 -11.847 4.037 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.569 -11.272 3.791 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.513 -13.587 3.635 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.432 -14.027 1.340 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.080 -12.541 2.076 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.817 -12.438 0.827 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.301 -14.868 1.859 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.471 -13.366 1.388 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.208 -14.059 3.006 1.00 1.00 H new ATOM 366 N GLY A 25 -5.461 -8.671 2.926 1.00 1.00 N ATOM 367 CA GLY A 25 -5.849 -7.423 3.574 1.00 1.00 C ATOM 368 C GLY A 25 -7.245 -7.485 4.200 1.00 1.00 C ATOM 369 O GLY A 25 -7.888 -8.537 4.235 1.00 1.00 O ATOM 0 H GLY A 25 -6.240 -9.097 2.423 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.120 -7.179 4.347 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.820 -6.615 2.842 1.00 1.00 H new ATOM 373 N LYS A 26 -7.712 -6.338 4.695 1.00 1.00 N ATOM 374 CA LYS A 26 -8.905 -6.146 5.521 1.00 1.00 C ATOM 375 C LYS A 26 -9.578 -4.831 5.147 1.00 1.00 C ATOM 376 O LYS A 26 -8.968 -3.771 5.277 1.00 1.00 O ATOM 377 CB LYS A 26 -8.429 -6.149 6.983 1.00 1.00 C ATOM 378 CG LYS A 26 -9.505 -5.861 8.043 1.00 1.00 C ATOM 379 CD LYS A 26 -10.712 -6.810 8.019 1.00 1.00 C ATOM 380 CE LYS A 26 -10.281 -8.281 8.098 1.00 1.00 C ATOM 381 NZ LYS A 26 -11.433 -9.179 8.315 1.00 1.00 N ATOM 0 H LYS A 26 -7.232 -5.456 4.516 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.642 -6.934 5.369 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.986 -7.122 7.198 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.637 -5.408 7.088 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.044 -5.909 9.029 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.862 -4.840 7.908 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.373 -6.579 8.855 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.284 -6.647 7.106 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.771 -8.560 7.176 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.564 -8.407 8.909 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -11.207 -10.127 7.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -11.641 -9.237 9.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -12.264 -8.806 7.812 1.00 1.00 H new ATOM 395 N VAL A 27 -10.800 -4.903 4.621 1.00 1.00 N ATOM 396 CA VAL A 27 -11.576 -3.725 4.178 1.00 1.00 C ATOM 397 C VAL A 27 -12.101 -2.925 5.376 1.00 1.00 C ATOM 398 O VAL A 27 -12.675 -3.487 6.309 1.00 1.00 O ATOM 399 CB VAL A 27 -12.707 -4.132 3.204 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.612 -2.965 2.797 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.045 -4.667 1.931 1.00 1.00 C ATOM 0 H VAL A 27 -11.292 -5.786 4.485 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.905 -3.067 3.626 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.330 -4.867 3.713 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.382 -3.323 2.114 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.083 -2.543 3.685 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -13.016 -2.198 2.302 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.814 -4.965 1.218 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.423 -3.888 1.489 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.426 -5.529 2.178 1.00 1.00 H new ATOM 411 N ILE A 28 -11.918 -1.601 5.324 1.00 1.00 N ATOM 412 CA ILE A 28 -12.216 -0.638 6.409 1.00 1.00 C ATOM 413 C ILE A 28 -13.170 0.493 5.976 1.00 1.00 C ATOM 414 O ILE A 28 -13.730 1.195 6.817 1.00 1.00 O ATOM 415 CB ILE A 28 -10.913 -0.050 6.996 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.204 0.872 5.966 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.052 -1.185 7.578 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.675 0.857 5.957 1.00 1.00 C ATOM 0 H ILE A 28 -11.543 -1.144 4.493 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.735 -1.204 7.182 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.131 0.612 7.834 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.551 0.597 4.970 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.532 1.896 6.146 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.133 -0.769 7.992 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.606 -1.695 8.366 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.806 -1.896 6.789 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.309 1.543 5.193 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.302 1.168 6.933 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.322 -0.151 5.738 1.00 1.00 H new ATOM 430 N THR A 29 -13.395 0.634 4.668 1.00 1.00 N ATOM 431 CA THR A 29 -14.422 1.487 4.047 1.00 1.00 C ATOM 432 C THR A 29 -14.957 0.699 2.857 1.00 1.00 C ATOM 433 O THR A 29 -14.163 0.211 2.053 1.00 1.00 O ATOM 434 CB THR A 29 -13.857 2.841 3.579 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.257 3.542 4.649 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.920 3.753 2.966 1.00 1.00 C ATOM 0 H THR A 29 -12.840 0.133 3.974 1.00 1.00 H new ATOM 0 HA THR A 29 -15.201 1.724 4.771 1.00 1.00 H new ATOM 0 HB THR A 29 -13.120 2.594 2.815 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.905 4.397 4.324 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.460 4.691 2.656 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.364 3.263 2.100 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.695 3.956 3.705 1.00 1.00 H new ATOM 444 N ALA A 30 -16.276 0.521 2.771 1.00 1.00 N ATOM 445 CA ALA A 30 -16.915 -0.385 1.820 1.00 1.00 C ATOM 446 C ALA A 30 -16.540 -0.092 0.356 1.00 1.00 C ATOM 447 O ALA A 30 -16.465 1.064 -0.063 1.00 1.00 O ATOM 448 CB ALA A 30 -18.432 -0.336 2.034 1.00 1.00 C ATOM 0 H ALA A 30 -16.940 1.011 3.371 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.546 -1.393 2.012 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.921 -1.009 1.329 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.666 -0.645 3.053 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.790 0.681 1.872 1.00 1.00 H new ATOM 454 N VAL A 31 -16.353 -1.157 -0.425 1.00 1.00 N ATOM 455 CA VAL A 31 -15.863 -1.130 -1.809 1.00 1.00 C ATOM 456 C VAL A 31 -16.967 -1.711 -2.700 1.00 1.00 C ATOM 457 O VAL A 31 -17.082 -2.935 -2.793 1.00 1.00 O ATOM 458 CB VAL A 31 -14.554 -1.940 -1.948 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.001 -1.824 -3.366 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.441 -1.505 -0.987 1.00 1.00 C ATOM 0 H VAL A 31 -16.546 -2.104 -0.099 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.633 -0.108 -2.110 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.834 -2.964 -1.702 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.079 -2.401 -3.445 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.733 -2.211 -4.075 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.795 -0.778 -3.592 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.558 -2.123 -1.149 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.191 -0.460 -1.169 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.782 -1.623 0.042 1.00 1.00 H new ATOM 470 N PRO A 32 -17.851 -0.884 -3.288 1.00 1.00 N ATOM 471 CA PRO A 32 -18.972 -1.381 -4.080 1.00 1.00 C ATOM 472 C PRO A 32 -18.524 -1.951 -5.435 1.00 1.00 C ATOM 473 O PRO A 32 -17.382 -1.776 -5.869 1.00 1.00 O ATOM 474 CB PRO A 32 -19.934 -0.199 -4.213 1.00 1.00 C ATOM 475 CG PRO A 32 -18.985 0.985 -4.208 1.00 1.00 C ATOM 476 CD PRO A 32 -17.887 0.569 -3.229 1.00 1.00 C ATOM 0 HA PRO A 32 -19.462 -2.225 -3.595 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.518 -0.250 -5.132 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.644 -0.156 -3.387 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.582 1.179 -5.202 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.485 1.897 -3.884 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.925 0.998 -3.511 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.108 0.916 -2.220 1.00 1.00 H new ATOM 484 N VAL A 33 -19.468 -2.605 -6.119 1.00 1.00 N ATOM 485 CA VAL A 33 -19.249 -3.421 -7.330 1.00 1.00 C ATOM 486 C VAL A 33 -18.527 -2.712 -8.487 1.00 1.00 C ATOM 487 O VAL A 33 -17.873 -3.365 -9.297 1.00 1.00 O ATOM 488 CB VAL A 33 -20.580 -4.031 -7.826 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.323 -4.800 -6.727 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.552 -2.987 -8.396 1.00 1.00 C ATOM 0 H VAL A 33 -20.448 -2.583 -5.837 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.565 -4.206 -7.009 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.275 -4.713 -8.620 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.250 -5.207 -7.131 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.696 -5.615 -6.366 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.552 -4.125 -5.902 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.465 -3.482 -8.726 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.794 -2.256 -7.625 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.087 -2.481 -9.243 1.00 1.00 H new ATOM 500 N ASP A 34 -18.626 -1.383 -8.562 1.00 1.00 N ATOM 501 CA ASP A 34 -18.013 -0.536 -9.596 1.00 1.00 C ATOM 502 C ASP A 34 -17.505 0.799 -8.999 1.00 1.00 C ATOM 503 O ASP A 34 -17.549 1.847 -9.649 1.00 1.00 O ATOM 504 CB ASP A 34 -19.035 -0.350 -10.736 1.00 1.00 C ATOM 505 CG ASP A 34 -18.445 0.326 -11.982 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.338 -0.083 -12.409 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.116 1.231 -12.534 1.00 1.00 O ATOM 0 H ASP A 34 -19.156 -0.843 -7.878 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.126 -1.016 -10.009 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.436 -1.324 -11.016 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.871 0.246 -10.370 1.00 1.00 H new ATOM 512 N GLY A 35 -17.063 0.772 -7.735 1.00 1.00 N ATOM 513 CA GLY A 35 -16.651 1.960 -6.968 1.00 1.00 C ATOM 514 C GLY A 35 -15.428 1.740 -6.070 1.00 1.00 C ATOM 515 O GLY A 35 -14.666 0.787 -6.252 1.00 1.00 O ATOM 0 H GLY A 35 -16.979 -0.094 -7.203 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.434 2.770 -7.664 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.487 2.286 -6.349 1.00 1.00 H new ATOM 519 N PHE A 36 -15.252 2.632 -5.090 1.00 1.00 N ATOM 520 CA PHE A 36 -14.045 2.744 -4.262 1.00 1.00 C ATOM 521 C PHE A 36 -14.357 2.752 -2.757 1.00 1.00 C ATOM 522 O PHE A 36 -15.360 3.317 -2.313 1.00 1.00 O ATOM 523 CB PHE A 36 -13.268 4.032 -4.599 1.00 1.00 C ATOM 524 CG PHE A 36 -12.933 4.282 -6.061 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.914 4.783 -6.939 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.624 4.070 -6.534 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.601 5.026 -8.289 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.308 4.322 -7.882 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.299 4.792 -8.762 1.00 1.00 C ATOM 0 H PHE A 36 -15.966 3.317 -4.843 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.444 1.863 -4.488 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.848 4.881 -4.236 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.335 4.020 -4.036 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.911 4.981 -6.574 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.860 3.713 -5.860 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.362 5.393 -8.962 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.303 4.154 -8.241 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.060 4.973 -9.800 1.00 1.00 H new ATOM 539 N GLY A 37 -13.450 2.160 -1.982 1.00 1.00 N ATOM 540 CA GLY A 37 -13.387 2.200 -0.518 1.00 1.00 C ATOM 541 C GLY A 37 -11.930 2.121 -0.051 1.00 1.00 C ATOM 542 O GLY A 37 -11.042 2.667 -0.707 1.00 1.00 O ATOM 0 H GLY A 37 -12.693 1.606 -2.381 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.845 3.119 -0.152 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.957 1.371 -0.099 1.00 1.00 H new ATOM 546 N GLU A 38 -11.662 1.451 1.070 1.00 1.00 N ATOM 547 CA GLU A 38 -10.326 1.374 1.684 1.00 1.00 C ATOM 548 C GLU A 38 -10.032 0.006 2.313 1.00 1.00 C ATOM 549 O GLU A 38 -10.935 -0.714 2.744 1.00 1.00 O ATOM 550 CB GLU A 38 -10.155 2.453 2.771 1.00 1.00 C ATOM 551 CG GLU A 38 -9.994 3.876 2.231 1.00 1.00 C ATOM 552 CD GLU A 38 -9.798 4.892 3.365 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.799 4.757 4.113 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.630 5.825 3.474 1.00 1.00 O ATOM 0 H GLU A 38 -12.374 0.937 1.589 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.620 1.537 0.869 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -11.021 2.425 3.433 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.283 2.206 3.376 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.140 3.915 1.555 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.874 4.146 1.648 1.00 1.00 H new ATOM 561 N VAL A 39 -8.743 -0.313 2.421 1.00 1.00 N ATOM 562 CA VAL A 39 -8.188 -1.590 2.891 1.00 1.00 C ATOM 563 C VAL A 39 -6.870 -1.379 3.655 1.00 1.00 C ATOM 564 O VAL A 39 -6.177 -0.383 3.452 1.00 1.00 O ATOM 565 CB VAL A 39 -7.991 -2.513 1.664 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.804 -2.094 0.787 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.828 -3.987 2.034 1.00 1.00 C ATOM 0 H VAL A 39 -8.011 0.351 2.168 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.879 -2.057 3.593 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.914 -2.397 1.096 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.716 -2.778 -0.057 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.964 -1.081 0.418 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.887 -2.125 1.376 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.694 -4.577 1.127 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.956 -4.106 2.677 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.718 -4.330 2.562 1.00 1.00 H new ATOM 577 N VAL A 40 -6.497 -2.339 4.499 1.00 1.00 N ATOM 578 CA VAL A 40 -5.179 -2.449 5.167 1.00 1.00 C ATOM 579 C VAL A 40 -4.638 -3.858 4.927 1.00 1.00 C ATOM 580 O VAL A 40 -5.426 -4.799 4.914 1.00 1.00 O ATOM 581 CB VAL A 40 -5.245 -2.241 6.700 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.896 -1.744 7.230 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.309 -1.250 7.156 1.00 1.00 C ATOM 0 H VAL A 40 -7.125 -3.101 4.755 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.545 -1.667 4.748 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.507 -3.220 7.102 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.959 -1.603 8.309 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.123 -2.479 7.005 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.645 -0.796 6.754 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.285 -1.165 8.242 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.112 -0.274 6.711 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.292 -1.601 6.841 1.00 1.00 H new ATOM 593 N ILE A 41 -3.328 -4.049 4.770 1.00 1.00 N ATOM 594 CA ILE A 41 -2.730 -5.399 4.714 1.00 1.00 C ATOM 595 C ILE A 41 -2.764 -6.046 6.108 1.00 1.00 C ATOM 596 O ILE A 41 -2.677 -5.356 7.123 1.00 1.00 O ATOM 597 CB ILE A 41 -1.308 -5.320 4.118 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.345 -4.795 2.670 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.526 -6.647 4.159 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.172 -5.601 1.660 1.00 1.00 C ATOM 0 H ILE A 41 -2.653 -3.290 4.678 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.314 -6.041 4.054 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.773 -4.622 4.762 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.732 -3.776 2.688 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.320 -4.741 2.303 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.461 -6.501 3.721 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.419 -6.975 5.193 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.066 -7.405 3.592 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.115 -5.125 0.681 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.778 -6.615 1.594 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.211 -5.636 1.986 1.00 1.00 H new ATOM 612 N GLU A 42 -2.891 -7.375 6.161 1.00 1.00 N ATOM 613 CA GLU A 42 -3.160 -8.157 7.389 1.00 1.00 C ATOM 614 C GLU A 42 -2.134 -8.022 8.537 1.00 1.00 C ATOM 615 O GLU A 42 -2.449 -8.379 9.672 1.00 1.00 O ATOM 616 CB GLU A 42 -3.364 -9.641 7.024 1.00 1.00 C ATOM 617 CG GLU A 42 -4.791 -9.960 6.553 1.00 1.00 C ATOM 618 CD GLU A 42 -5.789 -9.996 7.718 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.343 -8.923 8.053 1.00 1.00 O ATOM 620 OE2 GLU A 42 -5.995 -11.097 8.282 1.00 1.00 O ATOM 0 H GLU A 42 -2.808 -7.961 5.330 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.068 -7.715 7.801 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.660 -9.915 6.238 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.129 -10.257 7.892 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.109 -9.211 5.827 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.797 -10.922 6.041 1.00 1.00 H new ATOM 627 N GLY A 43 -0.946 -7.459 8.295 1.00 1.00 N ATOM 628 CA GLY A 43 0.039 -7.074 9.321 1.00 1.00 C ATOM 629 C GLY A 43 -0.350 -5.824 10.125 1.00 1.00 C ATOM 630 O GLY A 43 0.507 -4.981 10.385 1.00 1.00 O ATOM 0 H GLY A 43 -0.629 -7.250 7.348 1.00 1.00 H new ATOM 0 HA2 GLY A 43 0.176 -7.908 10.009 1.00 1.00 H new ATOM 0 HA3 GLY A 43 1.001 -6.898 8.839 1.00 1.00 H new ATOM 634 N ILE A 44 -1.630 -5.691 10.495 1.00 1.00 N ATOM 635 CA ILE A 44 -2.283 -4.501 11.082 1.00 1.00 C ATOM 636 C ILE A 44 -1.556 -3.812 12.255 1.00 1.00 C ATOM 637 O ILE A 44 -1.776 -2.624 12.494 1.00 1.00 O ATOM 638 CB ILE A 44 -3.786 -4.753 11.358 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.141 -6.029 12.153 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.545 -4.811 10.019 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.542 -6.114 13.559 1.00 1.00 C ATOM 0 H ILE A 44 -2.288 -6.463 10.387 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.200 -3.748 10.298 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.081 -3.918 11.993 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.226 -6.096 12.234 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.810 -6.896 11.582 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.604 -4.988 10.208 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.424 -3.865 9.491 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.145 -5.621 9.409 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -3.852 -7.047 14.031 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -2.454 -6.084 13.494 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.893 -5.272 14.155 1.00 1.00 H new ATOM 653 N GLY A 45 -0.677 -4.519 12.976 1.00 1.00 N ATOM 654 CA GLY A 45 0.218 -3.946 13.989 1.00 1.00 C ATOM 655 C GLY A 45 1.288 -2.981 13.443 1.00 1.00 C ATOM 656 O GLY A 45 1.859 -2.214 14.225 1.00 1.00 O ATOM 0 H GLY A 45 -0.566 -5.527 12.869 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.385 -3.416 14.727 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.718 -4.761 14.512 1.00 1.00 H new ATOM 660 N GLY A 46 1.557 -2.984 12.129 1.00 1.00 N ATOM 661 CA GLY A 46 2.562 -2.114 11.490 1.00 1.00 C ATOM 662 C GLY A 46 2.329 -1.741 10.014 1.00 1.00 C ATOM 663 O GLY A 46 3.036 -0.871 9.499 1.00 1.00 O ATOM 0 H GLY A 46 1.078 -3.598 11.470 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.626 -1.191 12.066 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.532 -2.605 11.566 1.00 1.00 H new ATOM 667 N THR A 47 1.364 -2.353 9.318 1.00 1.00 N ATOM 668 CA THR A 47 0.955 -1.984 7.944 1.00 1.00 C ATOM 669 C THR A 47 0.209 -0.637 7.876 1.00 1.00 C ATOM 670 O THR A 47 -0.100 -0.017 8.899 1.00 1.00 O ATOM 671 CB THR A 47 0.096 -3.096 7.316 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.969 -3.420 8.174 1.00 1.00 O ATOM 673 CG2 THR A 47 0.919 -4.357 7.049 1.00 1.00 C ATOM 0 H THR A 47 0.830 -3.136 9.696 1.00 1.00 H new ATOM 0 HA THR A 47 1.875 -1.866 7.372 1.00 1.00 H new ATOM 0 HB THR A 47 -0.285 -2.722 6.366 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.542 -4.089 7.745 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.281 -5.121 6.606 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.733 -4.122 6.363 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.331 -4.728 7.987 1.00 1.00 H new ATOM 681 N ILE A 48 -0.073 -0.162 6.654 1.00 1.00 N ATOM 682 CA ILE A 48 -0.623 1.174 6.355 1.00 1.00 C ATOM 683 C ILE A 48 -1.853 1.038 5.440 1.00 1.00 C ATOM 684 O ILE A 48 -1.852 0.242 4.498 1.00 1.00 O ATOM 685 CB ILE A 48 0.484 2.061 5.721 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.633 2.301 6.732 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.079 3.403 5.218 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.836 3.075 6.176 1.00 1.00 C ATOM 0 H ILE A 48 0.081 -0.717 5.812 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.952 1.660 7.274 1.00 1.00 H new ATOM 0 HB ILE A 48 0.880 1.525 4.858 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.235 2.845 7.589 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.980 1.336 7.100 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.726 3.995 4.782 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.843 3.217 4.463 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.519 3.949 6.053 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.586 3.192 6.958 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.267 2.525 5.339 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.510 4.058 5.835 1.00 1.00 H new ATOM 700 N SER A 49 -2.908 1.811 5.722 1.00 1.00 N ATOM 701 CA SER A 49 -4.159 1.840 4.946 1.00 1.00 C ATOM 702 C SER A 49 -3.971 2.396 3.527 1.00 1.00 C ATOM 703 O SER A 49 -3.145 3.284 3.297 1.00 1.00 O ATOM 704 CB SER A 49 -5.206 2.713 5.652 1.00 1.00 C ATOM 705 OG SER A 49 -5.376 2.305 7.001 1.00 1.00 O ATOM 0 H SER A 49 -2.918 2.451 6.516 1.00 1.00 H new ATOM 0 HA SER A 49 -4.489 0.804 4.875 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.897 3.758 5.620 1.00 1.00 H new ATOM 0 HB3 SER A 49 -6.157 2.646 5.124 1.00 1.00 H new ATOM 0 HG SER A 49 -6.046 2.875 7.433 1.00 1.00 H new ATOM 711 N LYS A 50 -4.787 1.922 2.580 1.00 1.00 N ATOM 712 CA LYS A 50 -4.781 2.301 1.156 1.00 1.00 C ATOM 713 C LYS A 50 -6.207 2.360 0.593 1.00 1.00 C ATOM 714 O LYS A 50 -7.121 1.738 1.138 1.00 1.00 O ATOM 715 CB LYS A 50 -3.986 1.255 0.350 1.00 1.00 C ATOM 716 CG LYS A 50 -2.514 1.043 0.743 1.00 1.00 C ATOM 717 CD LYS A 50 -1.616 2.221 0.343 1.00 1.00 C ATOM 718 CE LYS A 50 -0.173 1.937 0.771 1.00 1.00 C ATOM 719 NZ LYS A 50 0.743 2.988 0.283 1.00 1.00 N ATOM 0 H LYS A 50 -5.506 1.230 2.792 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.322 3.286 1.072 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.501 0.298 0.436 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -4.018 1.541 -0.701 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.449 0.892 1.820 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.144 0.133 0.270 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.662 2.377 -0.735 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.971 3.138 0.813 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.118 1.878 1.858 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.141 0.968 0.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.632 2.951 0.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.943 2.834 -0.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.300 3.921 0.409 1.00 1.00 H new ATOM 733 N SER A 51 -6.392 3.067 -0.520 1.00 1.00 N ATOM 734 CA SER A 51 -7.640 3.039 -1.300 1.00 1.00 C ATOM 735 C SER A 51 -7.803 1.687 -2.001 1.00 1.00 C ATOM 736 O SER A 51 -6.814 1.036 -2.345 1.00 1.00 O ATOM 737 CB SER A 51 -7.641 4.159 -2.348 1.00 1.00 C ATOM 738 OG SER A 51 -7.559 5.426 -1.711 1.00 1.00 O ATOM 0 H SER A 51 -5.679 3.681 -0.913 1.00 1.00 H new ATOM 0 HA SER A 51 -8.473 3.189 -0.613 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.799 4.031 -3.029 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.549 4.104 -2.949 1.00 1.00 H new ATOM 0 HG SER A 51 -7.559 6.134 -2.389 1.00 1.00 H new ATOM 744 N ALA A 52 -9.046 1.267 -2.240 1.00 1.00 N ATOM 745 CA ALA A 52 -9.353 -0.044 -2.818 1.00 1.00 C ATOM 746 C ALA A 52 -10.543 -0.029 -3.796 1.00 1.00 C ATOM 747 O ALA A 52 -11.506 0.710 -3.592 1.00 1.00 O ATOM 748 CB ALA A 52 -9.606 -1.030 -1.671 1.00 1.00 C ATOM 0 H ALA A 52 -9.873 1.829 -2.037 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.495 -0.352 -3.416 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.837 -2.013 -2.081 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.716 -1.097 -1.046 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.446 -0.681 -1.070 1.00 1.00 H new ATOM 754 N VAL A 53 -10.494 -0.901 -4.810 1.00 1.00 N ATOM 755 CA VAL A 53 -11.575 -1.207 -5.774 1.00 1.00 C ATOM 756 C VAL A 53 -11.817 -2.719 -5.880 1.00 1.00 C ATOM 757 O VAL A 53 -10.909 -3.517 -5.626 1.00 1.00 O ATOM 758 CB VAL A 53 -11.294 -0.630 -7.179 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.173 0.894 -7.137 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.042 -1.199 -7.860 1.00 1.00 C ATOM 0 H VAL A 53 -9.653 -1.447 -4.997 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.472 -0.726 -5.385 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.155 -0.934 -7.774 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.975 1.271 -8.140 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.104 1.323 -6.765 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.354 1.176 -6.476 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.921 -0.739 -8.841 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.166 -0.985 -7.248 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.149 -2.278 -7.976 1.00 1.00 H new ATOM 770 N SER A 54 -13.027 -3.138 -6.268 1.00 1.00 N ATOM 771 CA SER A 54 -13.335 -4.559 -6.496 1.00 1.00 C ATOM 772 C SER A 54 -12.786 -5.039 -7.844 1.00 1.00 C ATOM 773 O SER A 54 -13.182 -4.546 -8.902 1.00 1.00 O ATOM 774 CB SER A 54 -14.837 -4.838 -6.422 1.00 1.00 C ATOM 775 OG SER A 54 -15.022 -6.247 -6.478 1.00 1.00 O ATOM 0 H SER A 54 -13.815 -2.511 -6.432 1.00 1.00 H new ATOM 0 HA SER A 54 -12.845 -5.115 -5.696 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.255 -4.434 -5.500 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.357 -4.352 -7.247 1.00 1.00 H new ATOM 0 HG SER A 54 -15.169 -6.594 -5.573 1.00 1.00 H new ATOM 781 N PHE A 55 -11.893 -6.031 -7.810 1.00 1.00 N ATOM 782 CA PHE A 55 -11.421 -6.754 -8.998 1.00 1.00 C ATOM 783 C PHE A 55 -12.446 -7.783 -9.524 1.00 1.00 C ATOM 784 O PHE A 55 -12.347 -8.240 -10.664 1.00 1.00 O ATOM 785 CB PHE A 55 -10.106 -7.454 -8.637 1.00 1.00 C ATOM 786 CG PHE A 55 -9.337 -8.025 -9.818 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.535 -7.181 -10.613 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.395 -9.403 -10.108 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.788 -7.713 -11.679 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.647 -9.934 -11.174 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.841 -9.090 -11.959 1.00 1.00 C ATOM 0 H PHE A 55 -11.469 -6.361 -6.943 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.276 -6.033 -9.803 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.465 -6.744 -8.115 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.322 -8.262 -7.938 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.494 -6.122 -10.403 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.016 -10.053 -9.510 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.173 -7.063 -12.284 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.692 -10.991 -11.390 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.264 -9.499 -12.775 1.00 1.00 H new ATOM 801 N ASP A 56 -13.445 -8.137 -8.708 1.00 1.00 N ATOM 802 CA ASP A 56 -14.383 -9.246 -8.945 1.00 1.00 C ATOM 803 C ASP A 56 -15.856 -8.785 -9.004 1.00 1.00 C ATOM 804 O ASP A 56 -16.773 -9.607 -8.952 1.00 1.00 O ATOM 805 CB ASP A 56 -14.119 -10.315 -7.870 1.00 1.00 C ATOM 806 CG ASP A 56 -14.844 -11.641 -8.138 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.606 -12.230 -9.221 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.616 -12.083 -7.255 1.00 1.00 O ATOM 0 H ASP A 56 -13.631 -7.644 -7.834 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.209 -9.675 -9.932 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.047 -10.502 -7.809 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.431 -9.929 -6.900 1.00 1.00 H new ATOM 813 N ASN A 57 -16.088 -7.471 -9.134 1.00 1.00 N ATOM 814 CA ASN A 57 -17.406 -6.833 -9.233 1.00 1.00 C ATOM 815 C ASN A 57 -18.340 -7.183 -8.047 1.00 1.00 C ATOM 816 O ASN A 57 -19.529 -7.456 -8.219 1.00 1.00 O ATOM 817 CB ASN A 57 -17.955 -7.113 -10.653 1.00 1.00 C ATOM 818 CG ASN A 57 -19.259 -6.416 -11.018 1.00 1.00 C ATOM 819 OD1 ASN A 57 -20.257 -7.043 -11.348 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.292 -5.103 -11.041 1.00 1.00 N ATOM 0 H ASN A 57 -15.326 -6.794 -9.175 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.330 -5.751 -9.124 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -17.195 -6.821 -11.378 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.100 -8.188 -10.759 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.142 -4.619 -11.331 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -18.468 -4.567 -10.769 1.00 1.00 H new ATOM 827 N GLN A 58 -17.783 -7.178 -6.830 1.00 1.00 N ATOM 828 CA GLN A 58 -18.464 -7.485 -5.563 1.00 1.00 C ATOM 829 C GLN A 58 -18.627 -6.232 -4.688 1.00 1.00 C ATOM 830 O GLN A 58 -17.870 -5.270 -4.813 1.00 1.00 O ATOM 831 CB GLN A 58 -17.661 -8.538 -4.774 1.00 1.00 C ATOM 832 CG GLN A 58 -17.418 -9.858 -5.520 1.00 1.00 C ATOM 833 CD GLN A 58 -18.703 -10.519 -6.018 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.607 -10.840 -5.256 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.846 -10.736 -7.307 1.00 1.00 N ATOM 0 H GLN A 58 -16.798 -6.949 -6.694 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.454 -7.869 -5.811 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.697 -8.109 -4.501 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.188 -8.754 -3.845 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.761 -9.671 -6.370 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.895 -10.549 -4.859 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.102 -10.474 -7.954 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.701 -11.166 -7.660 1.00 1.00 H new ATOM 844 N GLN A 59 -19.599 -6.257 -3.771 1.00 1.00 N ATOM 845 CA GLN A 59 -19.860 -5.180 -2.808 1.00 1.00 C ATOM 846 C GLN A 59 -19.205 -5.530 -1.459 1.00 1.00 C ATOM 847 O GLN A 59 -19.817 -6.147 -0.585 1.00 1.00 O ATOM 848 CB GLN A 59 -21.377 -4.923 -2.715 1.00 1.00 C ATOM 849 CG GLN A 59 -21.702 -3.560 -2.079 1.00 1.00 C ATOM 850 CD GLN A 59 -23.198 -3.394 -1.801 1.00 1.00 C ATOM 851 OE1 GLN A 59 -24.050 -3.608 -2.655 1.00 1.00 O ATOM 852 NE2 GLN A 59 -23.584 -3.002 -0.604 1.00 1.00 N ATOM 0 H GLN A 59 -20.241 -7.044 -3.675 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.411 -4.244 -3.139 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.813 -4.968 -3.713 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.842 -5.715 -2.128 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.147 -3.454 -1.147 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.367 -2.762 -2.742 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.890 -2.819 0.121 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -24.577 -2.882 -0.402 1.00 1.00 H new ATOM 861 N ILE A 60 -17.917 -5.209 -1.327 1.00 1.00 N ATOM 862 CA ILE A 60 -17.054 -5.635 -0.218 1.00 1.00 C ATOM 863 C ILE A 60 -17.281 -4.715 0.985 1.00 1.00 C ATOM 864 O ILE A 60 -16.774 -3.594 1.024 1.00 1.00 O ATOM 865 CB ILE A 60 -15.562 -5.712 -0.629 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.334 -6.206 -2.080 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.877 -6.645 0.379 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.863 -6.252 -2.513 1.00 1.00 C ATOM 0 H ILE A 60 -17.428 -4.628 -2.008 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.328 -6.651 0.066 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.139 -4.708 -0.613 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.761 -7.204 -2.182 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.880 -5.554 -2.762 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.819 -6.733 0.132 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.982 -6.236 1.384 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.342 -7.630 0.338 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.797 -6.609 -3.541 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.433 -5.252 -2.448 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.312 -6.927 -1.859 1.00 1.00 H new ATOM 880 N SER A 61 -18.103 -5.157 1.936 1.00 1.00 N ATOM 881 CA SER A 61 -18.416 -4.405 3.158 1.00 1.00 C ATOM 882 C SER A 61 -17.228 -4.332 4.138 1.00 1.00 C ATOM 883 O SER A 61 -16.216 -5.023 3.987 1.00 1.00 O ATOM 884 CB SER A 61 -19.647 -5.021 3.836 1.00 1.00 C ATOM 885 OG SER A 61 -20.208 -4.104 4.762 1.00 1.00 O ATOM 0 H SER A 61 -18.578 -6.058 1.882 1.00 1.00 H new ATOM 0 HA SER A 61 -18.631 -3.377 2.867 1.00 1.00 H new ATOM 0 HB2 SER A 61 -20.389 -5.289 3.084 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.366 -5.941 4.349 1.00 1.00 H new ATOM 0 HG SER A 61 -20.994 -4.507 5.187 1.00 1.00 H new ATOM 891 N TYR A 62 -17.369 -3.499 5.171 1.00 1.00 N ATOM 892 CA TYR A 62 -16.442 -3.383 6.300 1.00 1.00 C ATOM 893 C TYR A 62 -16.169 -4.734 6.990 1.00 1.00 C ATOM 894 O TYR A 62 -17.076 -5.554 7.170 1.00 1.00 O ATOM 895 CB TYR A 62 -17.047 -2.391 7.310 1.00 1.00 C ATOM 896 CG TYR A 62 -16.268 -2.252 8.607 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.218 -1.322 8.696 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.577 -3.067 9.716 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.464 -1.211 9.878 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.825 -2.961 10.903 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.762 -2.033 10.986 1.00 1.00 C ATOM 902 OH TYR A 62 -14.028 -1.922 12.128 1.00 1.00 O ATOM 0 H TYR A 62 -18.162 -2.862 5.248 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.482 -3.031 5.923 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.118 -1.411 6.838 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.064 -2.707 7.545 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.989 -0.689 7.852 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.391 -3.774 9.655 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.656 -0.496 9.938 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.061 -3.589 11.749 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.362 -2.558 12.795 1.00 1.00 H new ATOM 912 N GLY A 63 -14.925 -4.946 7.430 1.00 1.00 N ATOM 913 CA GLY A 63 -14.552 -6.065 8.298 1.00 1.00 C ATOM 914 C GLY A 63 -14.481 -7.441 7.630 1.00 1.00 C ATOM 915 O GLY A 63 -14.774 -8.438 8.292 1.00 1.00 O ATOM 0 H GLY A 63 -14.141 -4.339 7.191 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.579 -5.847 8.740 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.269 -6.118 9.117 1.00 1.00 H new ATOM 919 N THR A 64 -14.076 -7.529 6.354 1.00 1.00 N ATOM 920 CA THR A 64 -13.848 -8.818 5.668 1.00 1.00 C ATOM 921 C THR A 64 -12.434 -8.935 5.103 1.00 1.00 C ATOM 922 O THR A 64 -11.774 -7.928 4.829 1.00 1.00 O ATOM 923 CB THR A 64 -14.904 -9.093 4.587 1.00 1.00 C ATOM 924 OG1 THR A 64 -14.943 -10.483 4.347 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.641 -8.402 3.256 1.00 1.00 C ATOM 0 H THR A 64 -13.897 -6.714 5.767 1.00 1.00 H new ATOM 0 HA THR A 64 -13.953 -9.590 6.431 1.00 1.00 H new ATOM 0 HB THR A 64 -15.843 -8.696 4.971 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.614 -10.678 3.660 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.436 -8.652 2.553 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.615 -7.323 3.405 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.684 -8.736 2.855 1.00 1.00 H new ATOM 933 N THR A 65 -11.967 -10.175 4.953 1.00 1.00 N ATOM 934 CA THR A 65 -10.600 -10.498 4.525 1.00 1.00 C ATOM 935 C THR A 65 -10.557 -10.673 3.010 1.00 1.00 C ATOM 936 O THR A 65 -11.312 -11.456 2.426 1.00 1.00 O ATOM 937 CB THR A 65 -10.058 -11.751 5.230 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.163 -11.583 6.629 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.584 -12.003 4.910 1.00 1.00 C ATOM 0 H THR A 65 -12.538 -11.002 5.129 1.00 1.00 H new ATOM 0 HA THR A 65 -9.956 -9.666 4.809 1.00 1.00 H new ATOM 0 HB THR A 65 -10.648 -12.597 4.876 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.819 -12.382 7.081 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.247 -12.899 5.431 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.463 -12.141 3.836 1.00 1.00 H new ATOM 0 HG23 THR A 65 -7.990 -11.149 5.235 1.00 1.00 H new ATOM 947 N VAL A 66 -9.642 -9.950 2.372 1.00 1.00 N ATOM 948 CA VAL A 66 -9.548 -9.787 0.918 1.00 1.00 C ATOM 949 C VAL A 66 -8.140 -10.112 0.428 1.00 1.00 C ATOM 950 O VAL A 66 -7.166 -9.827 1.113 1.00 1.00 O ATOM 951 CB VAL A 66 -9.934 -8.349 0.508 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.421 -8.064 0.729 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.155 -7.252 1.256 1.00 1.00 C ATOM 0 H VAL A 66 -8.914 -9.439 2.871 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.246 -10.483 0.453 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.679 -8.311 -0.551 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.644 -7.041 0.426 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.017 -8.757 0.134 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.663 -8.191 1.784 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.485 -6.272 0.911 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.339 -7.341 2.327 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.089 -7.366 1.061 1.00 1.00 H new ATOM 963 N LEU A 67 -8.007 -10.694 -0.759 1.00 1.00 N ATOM 964 CA LEU A 67 -6.720 -10.862 -1.437 1.00 1.00 C ATOM 965 C LEU A 67 -6.497 -9.664 -2.365 1.00 1.00 C ATOM 966 O LEU A 67 -7.359 -9.354 -3.191 1.00 1.00 O ATOM 967 CB LEU A 67 -6.748 -12.191 -2.217 1.00 1.00 C ATOM 968 CG LEU A 67 -5.474 -12.508 -3.024 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.264 -12.754 -2.123 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.698 -13.764 -3.868 1.00 1.00 C ATOM 0 H LEU A 67 -8.796 -11.068 -1.286 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.896 -10.900 -0.725 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.923 -13.003 -1.512 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.597 -12.174 -2.901 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.271 -11.640 -3.652 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.391 -12.973 -2.738 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.071 -11.865 -1.522 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.466 -13.599 -1.465 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.795 -13.985 -4.437 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.930 -14.605 -3.214 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.528 -13.598 -4.554 1.00 1.00 H new ATOM 982 N VAL A 68 -5.351 -8.990 -2.239 1.00 1.00 N ATOM 983 CA VAL A 68 -4.939 -7.972 -3.219 1.00 1.00 C ATOM 984 C VAL A 68 -4.465 -8.692 -4.483 1.00 1.00 C ATOM 985 O VAL A 68 -3.534 -9.494 -4.427 1.00 1.00 O ATOM 986 CB VAL A 68 -3.829 -7.043 -2.684 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.612 -5.869 -3.645 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.178 -6.476 -1.303 1.00 1.00 C ATOM 0 H VAL A 68 -4.692 -9.127 -1.473 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.795 -7.332 -3.432 1.00 1.00 H new ATOM 0 HB VAL A 68 -2.923 -7.644 -2.602 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.826 -5.221 -3.256 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.318 -6.249 -4.623 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.537 -5.301 -3.740 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.371 -5.827 -0.962 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.102 -5.902 -1.368 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.309 -7.295 -0.596 1.00 1.00 H new ATOM 998 N VAL A 69 -5.113 -8.424 -5.617 1.00 1.00 N ATOM 999 CA VAL A 69 -4.928 -9.165 -6.882 1.00 1.00 C ATOM 1000 C VAL A 69 -4.348 -8.303 -8.014 1.00 1.00 C ATOM 1001 O VAL A 69 -3.741 -8.838 -8.940 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.224 -9.870 -7.323 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.457 -11.137 -6.494 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.471 -8.990 -7.193 1.00 1.00 C ATOM 0 H VAL A 69 -5.797 -7.671 -5.692 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.182 -9.931 -6.670 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.080 -10.107 -8.377 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.377 -11.621 -6.820 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.619 -11.821 -6.631 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.540 -10.872 -5.440 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.347 -9.550 -7.521 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.599 -8.692 -6.152 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.355 -8.101 -7.813 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.463 -6.976 -7.924 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.776 -6.002 -8.787 1.00 1.00 C ATOM 1016 C ASP A 70 -3.583 -4.692 -7.999 1.00 1.00 C ATOM 1017 O ASP A 70 -4.194 -4.519 -6.944 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.552 -5.777 -10.100 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.619 -5.547 -11.293 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.863 -4.548 -11.257 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.658 -6.364 -12.243 1.00 1.00 O ATOM 0 H ASP A 70 -5.057 -6.531 -7.225 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.798 -6.389 -9.072 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.185 -6.642 -10.298 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.212 -4.917 -9.987 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.724 -3.773 -8.451 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.390 -2.538 -7.722 1.00 1.00 C ATOM 1028 C ILE A 71 -2.086 -1.394 -8.706 1.00 1.00 C ATOM 1029 O ILE A 71 -1.381 -1.583 -9.697 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.194 -2.764 -6.754 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.417 -3.961 -5.796 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.973 -1.488 -5.927 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.301 -4.224 -4.784 1.00 1.00 C ATOM 0 H ILE A 71 -2.235 -3.863 -9.341 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.256 -2.256 -7.123 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.319 -2.995 -7.362 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.345 -3.796 -5.249 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.556 -4.860 -6.396 1.00 1.00 H new ATOM 0 HG21 ILE A 71 -0.136 -1.637 -5.245 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.753 -0.655 -6.595 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.873 -1.266 -5.354 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.564 -5.083 -4.167 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.629 -4.429 -5.313 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.172 -3.348 -4.149 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.576 -0.193 -8.387 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.405 1.040 -9.156 1.00 1.00 C ATOM 1047 C ASN A 72 -1.939 2.195 -8.241 1.00 1.00 C ATOM 1048 O ASN A 72 -2.730 3.053 -7.842 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.717 1.312 -9.920 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.590 2.428 -10.946 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.517 2.199 -12.145 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.553 3.667 -10.514 1.00 1.00 N ATOM 0 H ASN A 72 -3.130 -0.048 -7.543 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.612 0.943 -9.897 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -4.033 0.398 -10.423 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.499 1.570 -9.206 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.464 4.436 -11.178 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.614 3.861 -9.514 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.645 2.197 -7.893 1.00 1.00 N ATOM 1060 CA ASN A 73 0.091 3.283 -7.211 1.00 1.00 C ATOM 1061 C ASN A 73 -0.499 3.804 -5.872 1.00 1.00 C ATOM 1062 O ASN A 73 -0.208 4.931 -5.462 1.00 1.00 O ATOM 1063 CB ASN A 73 0.325 4.418 -8.235 1.00 1.00 C ATOM 1064 CG ASN A 73 1.091 3.985 -9.478 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.914 3.080 -9.463 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.840 4.613 -10.605 1.00 1.00 N ATOM 0 H ASN A 73 -0.044 1.396 -8.089 1.00 1.00 H new ATOM 0 HA ASN A 73 1.032 2.849 -6.872 1.00 1.00 H new ATOM 0 HB2 ASN A 73 -0.640 4.824 -8.539 1.00 1.00 H new ATOM 0 HB3 ASN A 73 0.871 5.226 -7.748 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.330 4.345 -11.458 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.155 5.369 -10.626 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.349 3.017 -5.205 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.073 3.401 -3.980 1.00 1.00 C ATOM 1075 C GLY A 74 -3.564 3.044 -4.009 1.00 1.00 C ATOM 1076 O GLY A 74 -4.203 2.974 -2.959 1.00 1.00 O ATOM 0 H GLY A 74 -1.561 2.066 -5.508 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.608 2.911 -3.125 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -1.968 4.475 -3.828 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.107 2.777 -5.203 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.448 2.220 -5.431 1.00 1.00 C ATOM 1082 C VAL A 75 -5.296 0.724 -5.703 1.00 1.00 C ATOM 1083 O VAL A 75 -4.919 0.306 -6.799 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.173 2.938 -6.589 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.629 2.463 -6.682 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.178 4.462 -6.408 1.00 1.00 C ATOM 0 H VAL A 75 -3.604 2.950 -6.073 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.067 2.374 -4.547 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.628 2.692 -7.501 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.128 2.978 -7.503 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.650 1.388 -6.861 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.145 2.685 -5.748 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.698 4.926 -7.246 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.687 4.716 -5.478 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.152 4.827 -6.371 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.496 -0.091 -4.673 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.402 -1.549 -4.750 1.00 1.00 C ATOM 1098 C LEU A 76 -6.665 -2.127 -5.409 1.00 1.00 C ATOM 1099 O LEU A 76 -7.769 -1.633 -5.193 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.214 -2.112 -3.326 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.773 -2.039 -2.782 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.180 -0.629 -2.747 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.742 -2.580 -1.352 1.00 1.00 C ATOM 0 H LEU A 76 -5.733 0.248 -3.741 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.547 -1.835 -5.362 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.871 -1.568 -2.647 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.537 -3.153 -3.317 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.173 -2.632 -3.472 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.165 -0.671 -2.351 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.159 -0.218 -3.756 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.793 0.008 -2.109 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.724 -2.529 -0.966 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.399 -1.981 -0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.080 -3.616 -1.348 1.00 1.00 H new ATOM 1115 N SER A 77 -6.521 -3.228 -6.137 1.00 1.00 N ATOM 1116 CA SER A 77 -7.630 -4.015 -6.683 1.00 1.00 C ATOM 1117 C SER A 77 -7.700 -5.316 -5.900 1.00 1.00 C ATOM 1118 O SER A 77 -6.735 -6.085 -5.872 1.00 1.00 O ATOM 1119 CB SER A 77 -7.441 -4.304 -8.173 1.00 1.00 C ATOM 1120 OG SER A 77 -7.264 -3.106 -8.912 1.00 1.00 O ATOM 0 H SER A 77 -5.606 -3.612 -6.373 1.00 1.00 H new ATOM 0 HA SER A 77 -8.557 -3.451 -6.587 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.575 -4.951 -8.313 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.308 -4.844 -8.554 1.00 1.00 H new ATOM 0 HG SER A 77 -7.144 -3.321 -9.860 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.828 -5.555 -5.233 1.00 1.00 N ATOM 1127 CA VAL A 78 -8.970 -6.643 -4.255 1.00 1.00 C ATOM 1128 C VAL A 78 -10.223 -7.487 -4.501 1.00 1.00 C ATOM 1129 O VAL A 78 -11.153 -7.069 -5.195 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.908 -6.099 -2.805 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.759 -5.107 -2.578 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.194 -5.399 -2.357 1.00 1.00 C ATOM 0 H VAL A 78 -9.675 -5.000 -5.353 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.122 -7.314 -4.391 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.751 -7.000 -2.212 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.773 -4.765 -1.543 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.808 -5.598 -2.785 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.879 -4.253 -3.244 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.077 -5.044 -1.333 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.395 -4.552 -3.013 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.026 -6.101 -2.405 1.00 1.00 H new ATOM 1142 N THR A 79 -10.254 -8.682 -3.915 1.00 1.00 N ATOM 1143 CA THR A 79 -11.389 -9.621 -3.983 1.00 1.00 C ATOM 1144 C THR A 79 -11.543 -10.362 -2.644 1.00 1.00 C ATOM 1145 O THR A 79 -10.525 -10.679 -2.025 1.00 1.00 O ATOM 1146 CB THR A 79 -11.193 -10.598 -5.157 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.289 -11.477 -5.242 1.00 1.00 O ATOM 1148 CG2 THR A 79 -9.930 -11.461 -5.069 1.00 1.00 C ATOM 0 H THR A 79 -9.474 -9.040 -3.364 1.00 1.00 H new ATOM 0 HA THR A 79 -12.310 -9.067 -4.161 1.00 1.00 H new ATOM 0 HB THR A 79 -11.099 -9.959 -6.035 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.157 -12.093 -5.992 1.00 1.00 H new ATOM 0 HG21 THR A 79 -9.876 -12.117 -5.938 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.051 -10.817 -5.045 1.00 1.00 H new ATOM 0 HG23 THR A 79 -9.963 -12.063 -4.161 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.766 -10.616 -2.133 1.00 1.00 N ATOM 1157 CA PRO A 80 -12.969 -11.270 -0.839 1.00 1.00 C ATOM 1158 C PRO A 80 -12.605 -12.763 -0.869 1.00 1.00 C ATOM 1159 O PRO A 80 -13.426 -13.628 -1.181 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.424 -10.992 -0.461 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.123 -10.867 -1.814 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.052 -10.228 -2.701 1.00 1.00 C ATOM 0 HA PRO A 80 -12.299 -10.872 -0.077 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.846 -11.801 0.136 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.519 -10.079 0.126 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.436 -11.838 -2.197 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.017 -10.246 -1.750 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.143 -10.574 -3.731 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.158 -9.143 -2.719 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.348 -13.061 -0.528 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.840 -14.427 -0.366 1.00 1.00 C ATOM 1172 C HIS A 81 -11.504 -15.132 0.837 1.00 1.00 C ATOM 1173 O HIS A 81 -11.759 -16.335 0.785 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.309 -14.364 -0.224 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.581 -15.696 -0.225 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.101 -16.937 0.076 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.255 -15.891 -0.511 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.123 -17.852 -0.027 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -6.970 -17.258 -0.384 1.00 1.00 N ATOM 0 H HIS A 81 -10.641 -12.346 -0.353 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.092 -15.022 -1.244 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -8.914 -13.757 -1.039 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.072 -13.845 0.705 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.069 -17.129 0.334 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.549 -15.122 -0.787 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.245 -18.910 0.151 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.794 -14.380 1.909 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.369 -14.847 3.183 1.00 1.00 C ATOM 1189 C GLU A 82 -11.825 -16.217 3.690 1.00 1.00 C ATOM 1190 O GLU A 82 -12.607 -17.144 3.934 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.907 -14.766 3.086 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.586 -14.657 4.460 1.00 1.00 C ATOM 1193 CD GLU A 82 -16.114 -14.655 4.317 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.676 -13.590 3.965 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.730 -15.722 4.560 1.00 1.00 O ATOM 0 H GLU A 82 -11.625 -13.374 1.912 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.031 -14.178 3.974 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.183 -13.903 2.480 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.281 -15.650 2.570 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.277 -15.491 5.090 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.262 -13.743 4.959 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.489 -16.393 3.822 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.891 -17.643 4.301 1.00 1.00 C ATOM 1204 C PRO A 83 -10.210 -17.915 5.783 1.00 1.00 C ATOM 1205 O PRO A 83 -10.462 -16.993 6.564 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.384 -17.484 4.063 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.164 -15.978 4.192 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.446 -15.399 3.599 1.00 1.00 C ATOM 0 HA PRO A 83 -10.297 -18.504 3.770 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.800 -18.040 4.797 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.091 -17.850 3.079 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.026 -15.677 5.230 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.280 -15.650 3.645 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.702 -14.453 4.077 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.324 -15.196 2.535 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.147 -19.192 6.178 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.474 -19.702 7.524 1.00 1.00 C ATOM 1218 C ILE A 84 -9.392 -20.688 7.992 1.00 1.00 C ATOM 1219 O ILE A 84 -8.953 -21.564 7.233 1.00 1.00 O ATOM 1220 CB ILE A 84 -11.876 -20.369 7.535 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -13.030 -19.430 7.103 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -12.196 -20.984 8.911 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -13.333 -18.257 8.048 1.00 1.00 C ATOM 0 H ILE A 84 -9.854 -19.935 5.543 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.500 -18.862 8.219 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.815 -21.157 6.784 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.794 -19.026 6.119 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -13.936 -20.026 6.994 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -13.185 -21.442 8.884 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.451 -21.742 9.153 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -12.179 -20.203 9.671 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.157 -17.669 7.645 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -13.608 -18.642 9.030 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -12.449 -17.627 8.141 1.00 1.00 H new TER 1235 ILE A 84