USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 913 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.99 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.29 (180deg=-0.985) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= -1.07 (180deg=-1.13) USER MOD Single : A 18 ASN : amide:sc= -1.62 K(o=-1.6,f=-10!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.0564 (180deg=-0.343) USER MOD Single : A 28 TYR OH : rot 0:sc= -1.45 USER MOD Single : A 31 SER OG : rot -58:sc= 1.09 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 100:sc= -0.58! USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0993 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 57 GLN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 150:sc= 0.923 USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= -0.0663 (180deg=-1.57) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 40:sc= -0.85 USER MOD Single : A 87 SER OG : rot -110:sc= -0.396 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -32:sc= -2.87! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.034) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.014) USER MOD Single : A 105 SER OG : rot -61:sc= -0.908 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.259 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 130:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.411 26.039 16.566 1.00 0.00 N ATOM 2 CA GLY A 1 -11.498 26.813 17.227 1.00 0.00 C ATOM 3 C GLY A 1 -11.952 26.177 18.527 1.00 0.00 C ATOM 4 O GLY A 1 -11.313 26.348 19.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.135 26.513 15.682 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.589 25.984 17.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.749 25.079 16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.150 27.827 17.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.347 26.893 16.549 1.00 0.00 H new ATOM 10 N SER A 2 -13.059 25.444 18.469 1.00 0.00 N ATOM 11 CA SER A 2 -13.599 24.780 19.650 1.00 0.00 C ATOM 12 C SER A 2 -14.043 23.359 19.322 1.00 0.00 C ATOM 13 O SER A 2 -14.234 23.012 18.156 1.00 0.00 O ATOM 14 CB SER A 2 -14.775 25.578 20.215 1.00 0.00 C ATOM 15 OG SER A 2 -15.675 25.957 19.188 1.00 0.00 O ATOM 0 H SER A 2 -13.600 25.295 17.617 1.00 0.00 H new ATOM 0 HA SER A 2 -12.810 24.729 20.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.300 24.980 20.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.404 26.468 20.724 1.00 0.00 H new ATOM 0 HG SER A 2 -16.419 26.464 19.575 1.00 0.00 H new ATOM 21 N SER A 3 -14.206 22.541 20.356 1.00 0.00 N ATOM 22 CA SER A 3 -14.628 21.156 20.178 1.00 0.00 C ATOM 23 C SER A 3 -13.626 20.388 19.324 1.00 0.00 C ATOM 24 O SER A 3 -12.639 20.949 18.850 1.00 0.00 O ATOM 25 CB SER A 3 -16.014 21.103 19.531 1.00 0.00 C ATOM 26 OG SER A 3 -16.791 20.051 20.076 1.00 0.00 O ATOM 0 H SER A 3 -14.052 22.813 21.327 1.00 0.00 H new ATOM 0 HA SER A 3 -14.675 20.687 21.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.526 22.053 19.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.911 20.964 18.455 1.00 0.00 H new ATOM 0 HG SER A 3 -17.672 20.039 19.648 1.00 0.00 H new ATOM 32 N GLY A 4 -13.886 19.098 19.132 1.00 0.00 N ATOM 33 CA GLY A 4 -12.998 18.274 18.335 1.00 0.00 C ATOM 34 C GLY A 4 -12.902 16.853 18.854 1.00 0.00 C ATOM 35 O GLY A 4 -12.289 16.604 19.893 1.00 0.00 O ATOM 0 H GLY A 4 -14.696 18.610 19.514 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.351 18.258 17.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.004 18.721 18.325 1.00 0.00 H new ATOM 39 N SER A 5 -13.510 15.919 18.131 1.00 0.00 N ATOM 40 CA SER A 5 -13.491 14.514 18.525 1.00 0.00 C ATOM 41 C SER A 5 -12.404 13.753 17.773 1.00 0.00 C ATOM 42 O SER A 5 -11.996 14.150 16.682 1.00 0.00 O ATOM 43 CB SER A 5 -14.854 13.871 18.264 1.00 0.00 C ATOM 44 OG SER A 5 -15.012 13.549 16.893 1.00 0.00 O ATOM 0 H SER A 5 -14.022 16.109 17.269 1.00 0.00 H new ATOM 0 HA SER A 5 -13.272 14.464 19.592 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.955 12.968 18.867 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.646 14.552 18.574 1.00 0.00 H new ATOM 0 HG SER A 5 -15.890 13.138 16.753 1.00 0.00 H new ATOM 50 N SER A 6 -11.941 12.657 18.363 1.00 0.00 N ATOM 51 CA SER A 6 -10.901 11.839 17.749 1.00 0.00 C ATOM 52 C SER A 6 -10.669 10.562 18.550 1.00 0.00 C ATOM 53 O SER A 6 -11.340 10.315 19.553 1.00 0.00 O ATOM 54 CB SER A 6 -9.596 12.631 17.640 1.00 0.00 C ATOM 55 OG SER A 6 -9.496 13.592 18.677 1.00 0.00 O ATOM 0 H SER A 6 -12.269 12.314 19.266 1.00 0.00 H new ATOM 0 HA SER A 6 -11.235 11.563 16.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.747 11.949 17.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.549 13.129 16.672 1.00 0.00 H new ATOM 0 HG SER A 6 -8.653 14.084 18.587 1.00 0.00 H new ATOM 61 N GLY A 7 -9.716 9.752 18.102 1.00 0.00 N ATOM 62 CA GLY A 7 -9.412 8.510 18.788 1.00 0.00 C ATOM 63 C GLY A 7 -9.501 7.305 17.872 1.00 0.00 C ATOM 64 O GLY A 7 -8.501 6.633 17.621 1.00 0.00 O ATOM 0 H GLY A 7 -9.148 9.934 17.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.409 8.568 19.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.102 8.381 19.622 1.00 0.00 H new ATOM 68 N LYS A 8 -10.702 7.031 17.372 1.00 0.00 N ATOM 69 CA LYS A 8 -10.917 5.899 16.480 1.00 0.00 C ATOM 70 C LYS A 8 -10.986 6.357 15.026 1.00 0.00 C ATOM 71 O LYS A 8 -11.968 6.964 14.603 1.00 0.00 O ATOM 72 CB LYS A 8 -12.205 5.164 16.855 1.00 0.00 C ATOM 73 CG LYS A 8 -12.039 4.198 18.017 1.00 0.00 C ATOM 74 CD LYS A 8 -11.595 2.824 17.540 1.00 0.00 C ATOM 75 CE LYS A 8 -11.850 1.759 18.594 1.00 0.00 C ATOM 76 NZ LYS A 8 -13.280 1.721 19.009 1.00 0.00 N ATOM 0 H LYS A 8 -11.540 7.578 17.570 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.073 5.218 16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.971 5.897 17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.566 4.615 15.986 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.306 4.595 18.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.982 4.110 18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.127 2.566 16.624 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.533 2.848 17.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.559 0.784 18.203 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.224 1.953 19.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.525 0.761 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.433 2.391 19.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.882 1.985 18.203 1.00 0.00 H new ATOM 90 N LYS A 9 -9.934 6.063 14.269 1.00 0.00 N ATOM 91 CA LYS A 9 -9.873 6.446 12.863 1.00 0.00 C ATOM 92 C LYS A 9 -8.602 5.910 12.209 1.00 0.00 C ATOM 93 O LYS A 9 -7.534 6.509 12.325 1.00 0.00 O ATOM 94 CB LYS A 9 -9.932 7.969 12.726 1.00 0.00 C ATOM 95 CG LYS A 9 -11.271 8.482 12.221 1.00 0.00 C ATOM 96 CD LYS A 9 -11.281 8.621 10.708 1.00 0.00 C ATOM 97 CE LYS A 9 -12.001 9.885 10.268 1.00 0.00 C ATOM 98 NZ LYS A 9 -13.463 9.663 10.102 1.00 0.00 N ATOM 0 H LYS A 9 -9.112 5.561 14.605 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.732 6.010 12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.721 8.421 13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.147 8.295 12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.063 7.799 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.487 9.448 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.256 8.637 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.767 7.752 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.835 10.672 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.578 10.234 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.917 10.549 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.623 8.930 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.872 9.354 11.007 1.00 0.00 H new ATOM 112 N ALA A 10 -8.728 4.779 11.522 1.00 0.00 N ATOM 113 CA ALA A 10 -7.589 4.164 10.851 1.00 0.00 C ATOM 114 C ALA A 10 -7.965 3.695 9.449 1.00 0.00 C ATOM 115 O ALA A 10 -8.975 3.018 9.260 1.00 0.00 O ATOM 116 CB ALA A 10 -7.059 3.000 11.673 1.00 0.00 C ATOM 0 H ALA A 10 -9.606 4.271 11.416 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.805 4.916 10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.209 2.550 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.743 3.360 12.652 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.844 2.254 11.796 1.00 0.00 H new ATOM 122 N LYS A 11 -7.146 4.062 8.469 1.00 0.00 N ATOM 123 CA LYS A 11 -7.391 3.679 7.084 1.00 0.00 C ATOM 124 C LYS A 11 -6.468 2.539 6.664 1.00 0.00 C ATOM 125 O LYS A 11 -5.249 2.701 6.610 1.00 0.00 O ATOM 126 CB LYS A 11 -7.192 4.881 6.158 1.00 0.00 C ATOM 127 CG LYS A 11 -8.476 5.640 5.863 1.00 0.00 C ATOM 128 CD LYS A 11 -8.304 7.136 6.077 1.00 0.00 C ATOM 129 CE LYS A 11 -7.907 7.841 4.791 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.483 9.212 4.707 1.00 0.00 N ATOM 0 H LYS A 11 -6.307 4.624 8.609 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.422 3.335 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.472 5.563 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.758 4.538 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.782 5.452 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.274 5.269 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.235 7.560 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.544 7.311 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.820 7.900 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.243 7.253 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.188 9.658 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.521 9.155 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.143 9.781 5.508 1.00 0.00 H new ATOM 144 N LYS A 12 -7.058 1.385 6.368 1.00 0.00 N ATOM 145 CA LYS A 12 -6.288 0.217 5.953 1.00 0.00 C ATOM 146 C LYS A 12 -5.862 0.337 4.493 1.00 0.00 C ATOM 147 O LYS A 12 -6.698 0.469 3.600 1.00 0.00 O ATOM 148 CB LYS A 12 -7.110 -1.057 6.153 1.00 0.00 C ATOM 149 CG LYS A 12 -7.352 -1.402 7.613 1.00 0.00 C ATOM 150 CD LYS A 12 -6.321 -2.392 8.130 1.00 0.00 C ATOM 151 CE LYS A 12 -6.379 -2.516 9.644 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.861 -3.832 10.113 1.00 0.00 N ATOM 0 H LYS A 12 -8.066 1.234 6.408 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.392 0.165 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.071 -0.942 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.597 -1.890 5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.318 -0.493 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.351 -1.822 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.493 -3.368 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.324 -2.072 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.796 -1.714 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.408 -2.390 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.980 -3.905 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.389 -4.598 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.852 -3.913 9.874 1.00 0.00 H new ATOM 166 N VAL A 13 -4.554 0.290 4.259 1.00 0.00 N ATOM 167 CA VAL A 13 -4.016 0.392 2.909 1.00 0.00 C ATOM 168 C VAL A 13 -2.873 -0.595 2.696 1.00 0.00 C ATOM 169 O VAL A 13 -1.901 -0.607 3.450 1.00 0.00 O ATOM 170 CB VAL A 13 -3.509 1.817 2.613 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.671 2.798 2.548 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.490 2.249 3.657 1.00 0.00 C ATOM 0 H VAL A 13 -3.848 0.182 4.987 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.831 0.154 2.225 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.017 1.813 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.292 3.798 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.358 2.497 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.197 2.803 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.143 3.258 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.953 2.236 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.643 1.563 3.644 1.00 0.00 H new ATOM 182 N ARG A 14 -3.000 -1.424 1.665 1.00 0.00 N ATOM 183 CA ARG A 14 -1.979 -2.418 1.352 1.00 0.00 C ATOM 184 C ARG A 14 -1.053 -1.918 0.248 1.00 0.00 C ATOM 185 O ARG A 14 -1.510 -1.439 -0.789 1.00 0.00 O ATOM 186 CB ARG A 14 -2.634 -3.734 0.930 1.00 0.00 C ATOM 187 CG ARG A 14 -1.944 -4.967 1.493 1.00 0.00 C ATOM 188 CD ARG A 14 -2.639 -6.245 1.051 1.00 0.00 C ATOM 189 NE ARG A 14 -1.934 -7.438 1.511 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.022 -7.921 2.749 1.00 0.00 C ATOM 191 NH1 ARG A 14 -2.779 -7.312 3.654 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.350 -9.014 3.083 1.00 0.00 N ATOM 0 H ARG A 14 -3.800 -1.427 1.032 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.384 -2.588 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.675 -3.732 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.638 -3.795 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.905 -4.985 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.934 -4.915 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.659 -6.255 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.709 -6.262 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.339 -7.931 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.297 -6.470 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.843 -7.686 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.766 -9.485 2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.417 -9.384 4.031 1.00 0.00 H new ATOM 206 N PHE A 15 0.252 -2.034 0.478 1.00 0.00 N ATOM 207 CA PHE A 15 1.242 -1.594 -0.498 1.00 0.00 C ATOM 208 C PHE A 15 2.035 -2.779 -1.040 1.00 0.00 C ATOM 209 O PHE A 15 2.546 -3.599 -0.277 1.00 0.00 O ATOM 210 CB PHE A 15 2.194 -0.575 0.132 1.00 0.00 C ATOM 211 CG PHE A 15 1.550 0.752 0.415 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.116 1.562 -0.622 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.380 1.189 1.720 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.524 2.784 -0.363 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.788 2.410 1.984 1.00 0.00 C ATOM 216 CZ PHE A 15 0.360 3.208 0.941 1.00 0.00 C ATOM 0 H PHE A 15 0.647 -2.429 1.331 1.00 0.00 H new ATOM 0 HA PHE A 15 0.713 -1.123 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.588 -0.984 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.043 -0.423 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.242 1.235 -1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.714 0.569 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.190 3.407 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.660 2.740 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.102 4.162 1.145 1.00 0.00 H new ATOM 226 N TYR A 16 2.134 -2.863 -2.363 1.00 0.00 N ATOM 227 CA TYR A 16 2.866 -3.948 -3.008 1.00 0.00 C ATOM 228 C TYR A 16 4.167 -3.438 -3.617 1.00 0.00 C ATOM 229 O TYR A 16 4.482 -2.252 -3.530 1.00 0.00 O ATOM 230 CB TYR A 16 2.003 -4.599 -4.090 1.00 0.00 C ATOM 231 CG TYR A 16 0.646 -5.051 -3.595 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.530 -5.856 -2.469 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.516 -4.672 -4.255 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.708 -6.270 -2.014 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.757 -5.082 -3.806 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.847 -5.880 -2.685 1.00 0.00 C ATOM 237 OH TYR A 16 -3.082 -6.290 -2.236 1.00 0.00 O ATOM 0 H TYR A 16 1.717 -2.193 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 16 3.108 -4.692 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.865 -3.891 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.535 -5.458 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.421 -6.163 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.449 -4.047 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.782 -6.896 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.651 -4.779 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.780 -5.927 -2.821 1.00 0.00 H new ATOM 247 N ARG A 17 4.920 -4.343 -4.234 1.00 0.00 N ATOM 248 CA ARG A 17 6.189 -3.985 -4.859 1.00 0.00 C ATOM 249 C ARG A 17 6.080 -4.034 -6.378 1.00 0.00 C ATOM 250 O ARG A 17 5.633 -5.030 -6.948 1.00 0.00 O ATOM 251 CB ARG A 17 7.299 -4.926 -4.384 1.00 0.00 C ATOM 252 CG ARG A 17 8.656 -4.251 -4.259 1.00 0.00 C ATOM 253 CD ARG A 17 9.424 -4.763 -3.051 1.00 0.00 C ATOM 254 NE ARG A 17 10.236 -5.933 -3.373 1.00 0.00 N ATOM 255 CZ ARG A 17 10.731 -6.767 -2.461 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.499 -6.562 -1.170 1.00 0.00 N ATOM 257 NH2 ARG A 17 11.460 -7.808 -2.840 1.00 0.00 N ATOM 0 H ARG A 17 4.674 -5.330 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 17 6.436 -2.965 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.020 -5.345 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.380 -5.760 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.237 -4.430 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.521 -3.173 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.067 -3.970 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.722 -5.017 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 17 10.436 -6.123 -4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.939 -5.763 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.880 -7.204 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.642 -7.970 -3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.839 -8.447 -2.141 1.00 0.00 H new ATOM 271 N ASN A 18 6.491 -2.951 -7.031 1.00 0.00 N ATOM 272 CA ASN A 18 6.440 -2.869 -8.487 1.00 0.00 C ATOM 273 C ASN A 18 7.416 -3.854 -9.123 1.00 0.00 C ATOM 274 O ASN A 18 8.622 -3.791 -8.882 1.00 0.00 O ATOM 275 CB ASN A 18 6.758 -1.446 -8.949 1.00 0.00 C ATOM 276 CG ASN A 18 6.265 -1.171 -10.355 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.675 -2.038 -11.000 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.504 0.043 -10.840 1.00 0.00 N ATOM 0 H ASN A 18 6.863 -2.118 -6.575 1.00 0.00 H new ATOM 0 HA ASN A 18 5.431 -3.130 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.302 -0.733 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.835 -1.286 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.195 0.286 -11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.997 0.732 -10.271 1.00 0.00 H new ATOM 285 N GLY A 19 6.886 -4.762 -9.936 1.00 0.00 N ATOM 286 CA GLY A 19 7.725 -5.746 -10.595 1.00 0.00 C ATOM 287 C GLY A 19 7.999 -6.953 -9.719 1.00 0.00 C ATOM 288 O GLY A 19 9.074 -7.549 -9.792 1.00 0.00 O ATOM 0 H GLY A 19 5.891 -4.834 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.243 -6.072 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.671 -5.283 -10.877 1.00 0.00 H new ATOM 292 N ASP A 20 7.026 -7.314 -8.890 1.00 0.00 N ATOM 293 CA ASP A 20 7.167 -8.457 -7.996 1.00 0.00 C ATOM 294 C ASP A 20 5.801 -9.016 -7.608 1.00 0.00 C ATOM 295 O ASP A 20 5.071 -8.407 -6.828 1.00 0.00 O ATOM 296 CB ASP A 20 7.944 -8.057 -6.740 1.00 0.00 C ATOM 297 CG ASP A 20 8.831 -9.175 -6.228 1.00 0.00 C ATOM 298 OD1 ASP A 20 8.309 -10.284 -5.984 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.048 -8.942 -6.071 1.00 0.00 O ATOM 0 H ASP A 20 6.130 -6.831 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 20 7.720 -9.233 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.556 -7.182 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.242 -7.767 -5.958 1.00 0.00 H new ATOM 304 N ARG A 21 5.465 -10.177 -8.159 1.00 0.00 N ATOM 305 CA ARG A 21 4.186 -10.818 -7.872 1.00 0.00 C ATOM 306 C ARG A 21 4.295 -11.732 -6.656 1.00 0.00 C ATOM 307 O ARG A 21 3.323 -11.927 -5.924 1.00 0.00 O ATOM 308 CB ARG A 21 3.708 -11.617 -9.085 1.00 0.00 C ATOM 309 CG ARG A 21 4.656 -12.736 -9.488 1.00 0.00 C ATOM 310 CD ARG A 21 4.130 -13.505 -10.689 1.00 0.00 C ATOM 311 NE ARG A 21 3.168 -14.534 -10.302 1.00 0.00 N ATOM 312 CZ ARG A 21 2.308 -15.101 -11.145 1.00 0.00 C ATOM 313 NH1 ARG A 21 2.288 -14.743 -12.423 1.00 0.00 N ATOM 314 NH2 ARG A 21 1.467 -16.029 -10.710 1.00 0.00 N ATOM 0 H ARG A 21 6.060 -10.694 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 21 3.459 -10.037 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.729 -12.043 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.580 -10.939 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.635 -12.318 -9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.793 -13.418 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.658 -12.811 -11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.964 -13.968 -11.216 1.00 0.00 H new ATOM 0 HE ARG A 21 3.155 -14.836 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.934 -14.030 -12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.627 -15.181 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.479 -16.309 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.808 -16.463 -11.356 1.00 0.00 H new ATOM 328 N TYR A 22 5.482 -12.292 -6.445 1.00 0.00 N ATOM 329 CA TYR A 22 5.716 -13.187 -5.317 1.00 0.00 C ATOM 330 C TYR A 22 5.437 -12.481 -3.994 1.00 0.00 C ATOM 331 O TYR A 22 5.017 -13.107 -3.020 1.00 0.00 O ATOM 332 CB TYR A 22 7.157 -13.701 -5.338 1.00 0.00 C ATOM 333 CG TYR A 22 7.368 -14.874 -6.269 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.410 -14.693 -7.646 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.525 -16.162 -5.771 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.604 -15.763 -8.500 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.719 -17.236 -6.619 1.00 0.00 C ATOM 338 CZ TYR A 22 7.757 -17.031 -7.982 1.00 0.00 C ATOM 339 OH TYR A 22 7.950 -18.098 -8.829 1.00 0.00 O ATOM 0 H TYR A 22 6.297 -12.142 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 22 5.033 -14.032 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.820 -12.888 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.444 -13.993 -4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.289 -13.701 -8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.495 -16.326 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.635 -15.606 -9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.840 -18.231 -6.216 1.00 0.00 H new ATOM 0 HH TYR A 22 8.041 -18.920 -8.304 1.00 0.00 H new ATOM 349 N PHE A 23 5.672 -11.173 -3.965 1.00 0.00 N ATOM 350 CA PHE A 23 5.447 -10.381 -2.762 1.00 0.00 C ATOM 351 C PHE A 23 3.976 -10.405 -2.362 1.00 0.00 C ATOM 352 O PHE A 23 3.103 -10.029 -3.144 1.00 0.00 O ATOM 353 CB PHE A 23 5.904 -8.938 -2.984 1.00 0.00 C ATOM 354 CG PHE A 23 5.817 -8.085 -1.749 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.427 -8.486 -0.571 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.127 -6.884 -1.768 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.349 -7.704 0.566 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.046 -6.098 -0.634 1.00 0.00 C ATOM 359 CZ PHE A 23 5.658 -6.508 0.534 1.00 0.00 C ATOM 0 H PHE A 23 6.019 -10.639 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 23 6.032 -10.820 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.934 -8.942 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.296 -8.489 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.969 -9.420 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.647 -6.558 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.828 -8.028 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.505 -5.164 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.597 -5.895 1.421 1.00 0.00 H new ATOM 369 N LYS A 24 3.708 -10.850 -1.138 1.00 0.00 N ATOM 370 CA LYS A 24 2.342 -10.922 -0.633 1.00 0.00 C ATOM 371 C LYS A 24 1.747 -9.526 -0.474 1.00 0.00 C ATOM 372 O LYS A 24 0.653 -9.248 -0.963 1.00 0.00 O ATOM 373 CB LYS A 24 2.311 -11.659 0.707 1.00 0.00 C ATOM 374 CG LYS A 24 0.989 -12.356 0.988 1.00 0.00 C ATOM 375 CD LYS A 24 1.197 -13.691 1.687 1.00 0.00 C ATOM 376 CE LYS A 24 0.347 -13.803 2.943 1.00 0.00 C ATOM 377 NZ LYS A 24 0.717 -12.777 3.957 1.00 0.00 N ATOM 0 H LYS A 24 4.419 -11.166 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 24 1.741 -11.473 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.112 -12.398 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.515 -10.948 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.363 -11.714 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.454 -12.514 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.947 -14.503 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.249 -13.806 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.705 -13.691 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.464 -14.798 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.471 -13.123 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.740 -12.594 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.199 -11.896 3.765 1.00 0.00 H new ATOM 391 N GLY A 25 2.475 -8.653 0.214 1.00 0.00 N ATOM 392 CA GLY A 25 2.004 -7.297 0.426 1.00 0.00 C ATOM 393 C GLY A 25 2.018 -6.901 1.890 1.00 0.00 C ATOM 394 O GLY A 25 1.886 -7.750 2.771 1.00 0.00 O ATOM 0 H GLY A 25 3.383 -8.861 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.628 -6.606 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.990 -7.203 0.037 1.00 0.00 H new ATOM 398 N ILE A 26 2.180 -5.606 2.148 1.00 0.00 N ATOM 399 CA ILE A 26 2.212 -5.100 3.515 1.00 0.00 C ATOM 400 C ILE A 26 1.048 -4.147 3.774 1.00 0.00 C ATOM 401 O ILE A 26 0.616 -3.420 2.880 1.00 0.00 O ATOM 402 CB ILE A 26 3.540 -4.373 3.812 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.597 -3.941 5.279 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.709 -3.172 2.893 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.959 -3.443 5.710 1.00 0.00 C ATOM 0 H ILE A 26 2.291 -4.890 1.430 1.00 0.00 H new ATOM 0 HA ILE A 26 2.124 -5.961 4.177 1.00 0.00 H new ATOM 0 HB ILE A 26 4.361 -5.065 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.862 -3.154 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.311 -4.783 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.651 -2.672 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.713 -3.506 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.884 -2.477 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.925 -3.154 6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.696 -4.235 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.239 -2.580 5.105 1.00 0.00 H new ATOM 417 N VAL A 27 0.546 -4.156 5.005 1.00 0.00 N ATOM 418 CA VAL A 27 -0.568 -3.294 5.382 1.00 0.00 C ATOM 419 C VAL A 27 -0.078 -2.068 6.145 1.00 0.00 C ATOM 420 O VAL A 27 1.017 -2.071 6.709 1.00 0.00 O ATOM 421 CB VAL A 27 -1.594 -4.046 6.249 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.837 -3.197 6.467 1.00 0.00 C ATOM 423 CG2 VAL A 27 -1.956 -5.379 5.611 1.00 0.00 C ATOM 0 H VAL A 27 0.893 -4.750 5.758 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.049 -2.977 4.457 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.143 -4.244 7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.550 -3.746 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.561 -2.271 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.292 -2.964 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.682 -5.897 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.386 -5.205 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.059 -5.991 5.513 1.00 0.00 H new ATOM 433 N TYR A 28 -0.895 -1.021 6.160 1.00 0.00 N ATOM 434 CA TYR A 28 -0.545 0.213 6.855 1.00 0.00 C ATOM 435 C TYR A 28 -1.779 0.848 7.488 1.00 0.00 C ATOM 436 O TYR A 28 -2.790 1.067 6.820 1.00 0.00 O ATOM 437 CB TYR A 28 0.112 1.199 5.888 1.00 0.00 C ATOM 438 CG TYR A 28 1.622 1.215 5.971 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.381 0.225 5.363 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.288 2.222 6.660 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.761 0.236 5.438 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.667 2.241 6.740 1.00 0.00 C ATOM 443 CZ TYR A 28 4.398 1.246 6.127 1.00 0.00 C ATOM 444 OH TYR A 28 5.773 1.261 6.204 1.00 0.00 O ATOM 0 H TYR A 28 -1.805 -1.002 5.699 1.00 0.00 H new ATOM 0 HA TYR A 28 0.162 -0.033 7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.185 0.948 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.265 2.201 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.885 -0.567 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.718 3.003 7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.337 -0.542 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.169 3.030 7.279 1.00 0.00 H new ATOM 0 HH TYR A 28 6.136 0.490 5.720 1.00 0.00 H new ATOM 454 N ALA A 29 -1.689 1.142 8.782 1.00 0.00 N ATOM 455 CA ALA A 29 -2.797 1.753 9.505 1.00 0.00 C ATOM 456 C ALA A 29 -2.621 3.265 9.602 1.00 0.00 C ATOM 457 O ALA A 29 -1.980 3.767 10.526 1.00 0.00 O ATOM 458 CB ALA A 29 -2.921 1.141 10.892 1.00 0.00 C ATOM 0 H ALA A 29 -0.860 0.967 9.350 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.715 1.557 8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.752 1.606 11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.102 0.070 10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.998 1.308 11.447 1.00 0.00 H new ATOM 464 N ILE A 30 -3.192 3.985 8.643 1.00 0.00 N ATOM 465 CA ILE A 30 -3.098 5.439 8.620 1.00 0.00 C ATOM 466 C ILE A 30 -3.963 6.064 9.709 1.00 0.00 C ATOM 467 O ILE A 30 -5.173 6.216 9.544 1.00 0.00 O ATOM 468 CB ILE A 30 -3.523 6.010 7.252 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.797 5.279 6.121 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.244 7.504 7.190 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.297 5.482 6.135 1.00 0.00 C ATOM 0 H ILE A 30 -3.725 3.585 7.871 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.053 5.690 8.801 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.595 5.856 7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.012 4.213 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.193 5.621 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.550 7.891 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.804 8.012 7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.178 7.681 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.848 4.935 5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.073 6.544 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.889 5.113 7.076 1.00 0.00 H new ATOM 483 N SER A 31 -3.333 6.422 10.823 1.00 0.00 N ATOM 484 CA SER A 31 -4.045 7.030 11.942 1.00 0.00 C ATOM 485 C SER A 31 -3.333 8.295 12.417 1.00 0.00 C ATOM 486 O SER A 31 -2.114 8.415 12.293 1.00 0.00 O ATOM 487 CB SER A 31 -4.168 6.034 13.096 1.00 0.00 C ATOM 488 OG SER A 31 -5.432 5.393 13.085 1.00 0.00 O ATOM 0 H SER A 31 -2.332 6.302 10.975 1.00 0.00 H new ATOM 0 HA SER A 31 -5.043 7.304 11.601 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.378 5.287 13.022 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.028 6.553 14.044 1.00 0.00 H new ATOM 0 HG SER A 31 -6.141 6.067 13.147 1.00 0.00 H new ATOM 494 N PRO A 32 -4.089 9.258 12.972 1.00 0.00 N ATOM 495 CA PRO A 32 -3.524 10.519 13.466 1.00 0.00 C ATOM 496 C PRO A 32 -2.358 10.295 14.424 1.00 0.00 C ATOM 497 O PRO A 32 -1.419 11.090 14.471 1.00 0.00 O ATOM 498 CB PRO A 32 -4.698 11.173 14.196 1.00 0.00 C ATOM 499 CG PRO A 32 -5.912 10.602 13.549 1.00 0.00 C ATOM 500 CD PRO A 32 -5.550 9.196 13.158 1.00 0.00 C ATOM 0 HA PRO A 32 -3.116 11.127 12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.675 10.949 15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.670 12.258 14.098 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.760 10.611 14.234 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.201 11.188 12.676 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.826 8.480 13.932 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.059 8.890 12.244 1.00 0.00 H new ATOM 508 N ASP A 33 -2.425 9.210 15.186 1.00 0.00 N ATOM 509 CA ASP A 33 -1.376 8.882 16.143 1.00 0.00 C ATOM 510 C ASP A 33 -0.185 8.231 15.444 1.00 0.00 C ATOM 511 O ASP A 33 0.963 8.612 15.668 1.00 0.00 O ATOM 512 CB ASP A 33 -1.919 7.950 17.230 1.00 0.00 C ATOM 513 CG ASP A 33 -2.238 8.687 18.516 1.00 0.00 C ATOM 514 OD1 ASP A 33 -3.258 9.407 18.550 1.00 0.00 O ATOM 515 OD2 ASP A 33 -1.468 8.545 19.489 1.00 0.00 O ATOM 0 H ASP A 33 -3.195 8.542 15.160 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.039 9.809 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.819 7.456 16.865 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.187 7.169 17.434 1.00 0.00 H new ATOM 520 N ARG A 34 -0.470 7.249 14.596 1.00 0.00 N ATOM 521 CA ARG A 34 0.577 6.545 13.864 1.00 0.00 C ATOM 522 C ARG A 34 1.297 7.489 12.905 1.00 0.00 C ATOM 523 O ARG A 34 2.435 7.890 13.151 1.00 0.00 O ATOM 524 CB ARG A 34 -0.017 5.366 13.089 1.00 0.00 C ATOM 525 CG ARG A 34 0.197 4.023 13.770 1.00 0.00 C ATOM 526 CD ARG A 34 0.460 2.920 12.757 1.00 0.00 C ATOM 527 NE ARG A 34 -0.234 1.682 13.103 1.00 0.00 N ATOM 528 CZ ARG A 34 0.200 0.820 14.019 1.00 0.00 C ATOM 529 NH1 ARG A 34 1.324 1.056 14.684 1.00 0.00 N ATOM 530 NH2 ARG A 34 -0.492 -0.283 14.271 1.00 0.00 N ATOM 0 H ARG A 34 -1.416 6.923 14.398 1.00 0.00 H new ATOM 0 HA ARG A 34 1.301 6.167 14.586 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.086 5.531 12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.427 5.335 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.038 4.093 14.459 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.682 3.771 14.364 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.140 3.251 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.532 2.730 12.698 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.102 1.466 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.861 1.902 14.494 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.651 0.391 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.356 -0.470 13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.160 -0.944 14.973 1.00 0.00 H new ATOM 544 N PHE A 35 0.627 7.840 11.813 1.00 0.00 N ATOM 545 CA PHE A 35 1.203 8.736 10.817 1.00 0.00 C ATOM 546 C PHE A 35 0.488 10.084 10.822 1.00 0.00 C ATOM 547 O PHE A 35 -0.655 10.190 11.263 1.00 0.00 O ATOM 548 CB PHE A 35 1.120 8.106 9.425 1.00 0.00 C ATOM 549 CG PHE A 35 1.592 6.681 9.382 1.00 0.00 C ATOM 550 CD1 PHE A 35 0.717 5.640 9.646 1.00 0.00 C ATOM 551 CD2 PHE A 35 2.911 6.383 9.078 1.00 0.00 C ATOM 552 CE1 PHE A 35 1.148 4.327 9.607 1.00 0.00 C ATOM 553 CE2 PHE A 35 3.347 5.073 9.038 1.00 0.00 C ATOM 554 CZ PHE A 35 2.465 4.043 9.302 1.00 0.00 C ATOM 0 H PHE A 35 -0.316 7.518 11.595 1.00 0.00 H new ATOM 0 HA PHE A 35 2.250 8.899 11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.088 8.149 9.077 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.716 8.699 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.314 5.857 9.885 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.605 7.184 8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.456 3.524 9.815 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.377 4.854 8.800 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.804 3.018 9.270 1.00 0.00 H new ATOM 564 N ARG A 36 1.171 11.111 10.326 1.00 0.00 N ATOM 565 CA ARG A 36 0.603 12.452 10.272 1.00 0.00 C ATOM 566 C ARG A 36 0.874 13.104 8.920 1.00 0.00 C ATOM 567 O ARG A 36 -0.024 13.677 8.304 1.00 0.00 O ATOM 568 CB ARG A 36 1.178 13.319 11.394 1.00 0.00 C ATOM 569 CG ARG A 36 0.921 12.762 12.785 1.00 0.00 C ATOM 570 CD ARG A 36 -0.129 13.574 13.528 1.00 0.00 C ATOM 571 NE ARG A 36 -1.392 13.638 12.796 1.00 0.00 N ATOM 572 CZ ARG A 36 -2.555 13.966 13.353 1.00 0.00 C ATOM 573 NH1 ARG A 36 -2.621 14.259 14.645 1.00 0.00 N ATOM 574 NH2 ARG A 36 -3.656 13.999 12.615 1.00 0.00 N ATOM 0 H ARG A 36 2.119 11.039 9.956 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.476 12.367 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.253 13.424 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.748 14.318 11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.593 11.726 12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.850 12.760 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.301 13.132 14.509 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.245 14.584 13.694 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.381 13.418 11.800 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.777 14.234 15.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.516 14.510 15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.611 13.773 11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.548 14.250 13.041 1.00 0.00 H new ATOM 588 N SER A 37 2.119 13.012 8.464 1.00 0.00 N ATOM 589 CA SER A 37 2.510 13.593 7.185 1.00 0.00 C ATOM 590 C SER A 37 2.942 12.507 6.205 1.00 0.00 C ATOM 591 O SER A 37 3.131 11.352 6.587 1.00 0.00 O ATOM 592 CB SER A 37 3.645 14.598 7.382 1.00 0.00 C ATOM 593 OG SER A 37 3.448 15.366 8.557 1.00 0.00 O ATOM 0 H SER A 37 2.874 12.541 8.961 1.00 0.00 H new ATOM 0 HA SER A 37 1.645 14.110 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.596 14.069 7.444 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.704 15.259 6.517 1.00 0.00 H new ATOM 0 HG SER A 37 4.188 16.000 8.661 1.00 0.00 H new ATOM 599 N PHE A 38 3.097 12.885 4.940 1.00 0.00 N ATOM 600 CA PHE A 38 3.507 11.942 3.906 1.00 0.00 C ATOM 601 C PHE A 38 4.963 11.529 4.092 1.00 0.00 C ATOM 602 O PHE A 38 5.348 10.408 3.758 1.00 0.00 O ATOM 603 CB PHE A 38 3.314 12.558 2.519 1.00 0.00 C ATOM 604 CG PHE A 38 3.173 11.539 1.424 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.332 10.449 1.579 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.882 11.672 0.242 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.201 9.509 0.574 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.755 10.735 -0.767 1.00 0.00 C ATOM 609 CZ PHE A 38 2.913 9.653 -0.601 1.00 0.00 C ATOM 0 H PHE A 38 2.945 13.837 4.607 1.00 0.00 H new ATOM 0 HA PHE A 38 2.882 11.053 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.427 13.191 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.163 13.204 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.772 10.332 2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.541 12.517 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.543 8.663 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.314 10.849 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.811 8.921 -1.388 1.00 0.00 H new ATOM 619 N GLU A 39 5.767 12.440 4.629 1.00 0.00 N ATOM 620 CA GLU A 39 7.181 12.170 4.859 1.00 0.00 C ATOM 621 C GLU A 39 7.362 11.022 5.848 1.00 0.00 C ATOM 622 O GLU A 39 8.330 10.266 5.767 1.00 0.00 O ATOM 623 CB GLU A 39 7.884 13.424 5.384 1.00 0.00 C ATOM 624 CG GLU A 39 7.648 14.656 4.526 1.00 0.00 C ATOM 625 CD GLU A 39 8.892 15.509 4.375 1.00 0.00 C ATOM 626 OE1 GLU A 39 9.782 15.126 3.587 1.00 0.00 O ATOM 627 OE2 GLU A 39 8.978 16.559 5.046 1.00 0.00 O ATOM 0 H GLU A 39 5.464 13.372 4.913 1.00 0.00 H new ATOM 0 HA GLU A 39 7.628 11.882 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.540 13.626 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.955 13.232 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.302 14.346 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.853 15.255 4.969 1.00 0.00 H new ATOM 634 N ALA A 40 6.422 10.899 6.780 1.00 0.00 N ATOM 635 CA ALA A 40 6.477 9.843 7.785 1.00 0.00 C ATOM 636 C ALA A 40 6.104 8.493 7.182 1.00 0.00 C ATOM 637 O ALA A 40 6.607 7.452 7.607 1.00 0.00 O ATOM 638 CB ALA A 40 5.558 10.175 8.949 1.00 0.00 C ATOM 0 H ALA A 40 5.614 11.517 6.860 1.00 0.00 H new ATOM 0 HA ALA A 40 7.501 9.777 8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.609 9.379 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.871 11.115 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.534 10.270 8.588 1.00 0.00 H new ATOM 644 N LEU A 41 5.218 8.516 6.192 1.00 0.00 N ATOM 645 CA LEU A 41 4.776 7.293 5.531 1.00 0.00 C ATOM 646 C LEU A 41 5.837 6.786 4.559 1.00 0.00 C ATOM 647 O LEU A 41 5.969 5.581 4.344 1.00 0.00 O ATOM 648 CB LEU A 41 3.462 7.537 4.788 1.00 0.00 C ATOM 649 CG LEU A 41 2.854 6.299 4.128 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.376 5.313 5.183 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.708 6.696 3.209 1.00 0.00 C ATOM 0 H LEU A 41 4.791 9.369 5.829 1.00 0.00 H new ATOM 0 HA LEU A 41 4.617 6.533 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.737 7.950 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.630 8.293 4.021 1.00 0.00 H new ATOM 0 HG LEU A 41 3.624 5.813 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.946 4.438 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.219 5.006 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.620 5.788 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.286 5.803 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.937 7.204 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.079 7.365 2.433 1.00 0.00 H new ATOM 663 N LEU A 42 6.589 7.712 3.975 1.00 0.00 N ATOM 664 CA LEU A 42 7.637 7.357 3.024 1.00 0.00 C ATOM 665 C LEU A 42 8.835 6.741 3.739 1.00 0.00 C ATOM 666 O LEU A 42 9.501 5.854 3.205 1.00 0.00 O ATOM 667 CB LEU A 42 8.079 8.593 2.236 1.00 0.00 C ATOM 668 CG LEU A 42 7.032 9.157 1.276 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.177 10.666 1.157 1.00 0.00 C ATOM 670 CD2 LEU A 42 7.151 8.499 -0.089 1.00 0.00 C ATOM 0 H LEU A 42 6.493 8.714 4.143 1.00 0.00 H new ATOM 0 HA LEU A 42 7.231 6.619 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.360 9.374 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.974 8.341 1.667 1.00 0.00 H new ATOM 0 HG LEU A 42 6.043 8.938 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.424 11.051 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.041 11.123 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.170 10.907 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.398 8.913 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.144 8.687 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.997 7.425 0.010 1.00 0.00 H new ATOM 682 N ALA A 43 9.102 7.214 4.952 1.00 0.00 N ATOM 683 CA ALA A 43 10.220 6.708 5.740 1.00 0.00 C ATOM 684 C ALA A 43 9.925 5.313 6.279 1.00 0.00 C ATOM 685 O ALA A 43 10.831 4.499 6.453 1.00 0.00 O ATOM 686 CB ALA A 43 10.533 7.662 6.884 1.00 0.00 C ATOM 0 H ALA A 43 8.560 7.946 5.410 1.00 0.00 H new ATOM 0 HA ALA A 43 11.091 6.640 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.369 7.272 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.796 8.640 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.658 7.758 7.528 1.00 0.00 H new ATOM 692 N ASP A 44 8.650 5.043 6.541 1.00 0.00 N ATOM 693 CA ASP A 44 8.235 3.746 7.060 1.00 0.00 C ATOM 694 C ASP A 44 8.109 2.723 5.935 1.00 0.00 C ATOM 695 O ASP A 44 8.408 1.543 6.119 1.00 0.00 O ATOM 696 CB ASP A 44 6.902 3.873 7.803 1.00 0.00 C ATOM 697 CG ASP A 44 6.901 3.123 9.120 1.00 0.00 C ATOM 698 OD1 ASP A 44 7.974 3.029 9.751 1.00 0.00 O ATOM 699 OD2 ASP A 44 5.825 2.629 9.521 1.00 0.00 O ATOM 0 H ASP A 44 7.887 5.706 6.402 1.00 0.00 H new ATOM 0 HA ASP A 44 8.999 3.400 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.691 4.926 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.099 3.493 7.171 1.00 0.00 H new ATOM 704 N LEU A 45 7.666 3.184 4.770 1.00 0.00 N ATOM 705 CA LEU A 45 7.501 2.310 3.615 1.00 0.00 C ATOM 706 C LEU A 45 8.854 1.881 3.058 1.00 0.00 C ATOM 707 O LEU A 45 9.033 0.735 2.645 1.00 0.00 O ATOM 708 CB LEU A 45 6.687 3.014 2.529 1.00 0.00 C ATOM 709 CG LEU A 45 5.176 2.787 2.602 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.435 3.870 1.832 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.818 1.410 2.067 1.00 0.00 C ATOM 0 H LEU A 45 7.415 4.158 4.601 1.00 0.00 H new ATOM 0 HA LEU A 45 6.965 1.418 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.881 4.085 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.043 2.678 1.555 1.00 0.00 H new ATOM 0 HG LEU A 45 4.870 2.840 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.362 3.692 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.667 4.845 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.745 3.850 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.739 1.266 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.138 1.329 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.320 0.647 2.662 1.00 0.00 H new ATOM 723 N THR A 46 9.806 2.809 3.048 1.00 0.00 N ATOM 724 CA THR A 46 11.144 2.527 2.541 1.00 0.00 C ATOM 725 C THR A 46 11.880 1.556 3.458 1.00 0.00 C ATOM 726 O THR A 46 12.704 0.763 3.004 1.00 0.00 O ATOM 727 CB THR A 46 11.945 3.823 2.404 1.00 0.00 C ATOM 728 OG1 THR A 46 11.229 4.776 1.638 1.00 0.00 O ATOM 729 CG2 THR A 46 13.293 3.627 1.748 1.00 0.00 C ATOM 0 H THR A 46 9.675 3.763 3.385 1.00 0.00 H new ATOM 0 HA THR A 46 11.043 2.065 1.559 1.00 0.00 H new ATOM 0 HB THR A 46 12.103 4.174 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.796 5.419 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.808 4.585 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.889 2.934 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.154 3.220 0.746 1.00 0.00 H new ATOM 737 N ARG A 47 11.576 1.623 4.750 1.00 0.00 N ATOM 738 CA ARG A 47 12.209 0.750 5.730 1.00 0.00 C ATOM 739 C ARG A 47 11.856 -0.711 5.466 1.00 0.00 C ATOM 740 O ARG A 47 12.648 -1.612 5.742 1.00 0.00 O ATOM 741 CB ARG A 47 11.782 1.143 7.146 1.00 0.00 C ATOM 742 CG ARG A 47 12.926 1.151 8.147 1.00 0.00 C ATOM 743 CD ARG A 47 12.484 0.639 9.510 1.00 0.00 C ATOM 744 NE ARG A 47 13.313 -0.470 9.973 1.00 0.00 N ATOM 745 CZ ARG A 47 13.178 -1.726 9.551 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.247 -2.035 8.656 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.972 -2.675 10.026 1.00 0.00 N ATOM 0 H ARG A 47 10.895 2.273 5.142 1.00 0.00 H new ATOM 0 HA ARG A 47 13.289 0.866 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.328 2.134 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.014 0.450 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.742 0.532 7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.315 2.164 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.529 1.452 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.444 0.317 9.456 1.00 0.00 H new ATOM 0 HE ARG A 47 14.039 -0.271 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.632 -1.309 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.147 -2.998 8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.687 -2.444 10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.868 -3.637 9.702 1.00 0.00 H new ATOM 761 N THR A 48 10.662 -0.939 4.929 1.00 0.00 N ATOM 762 CA THR A 48 10.204 -2.290 4.627 1.00 0.00 C ATOM 763 C THR A 48 10.347 -2.594 3.140 1.00 0.00 C ATOM 764 O THR A 48 11.036 -3.539 2.752 1.00 0.00 O ATOM 765 CB THR A 48 8.747 -2.465 5.056 1.00 0.00 C ATOM 766 OG1 THR A 48 7.924 -1.482 4.453 1.00 0.00 O ATOM 767 CG2 THR A 48 8.548 -2.372 6.554 1.00 0.00 C ATOM 0 H THR A 48 9.994 -0.205 4.694 1.00 0.00 H new ATOM 0 HA THR A 48 10.827 -2.990 5.184 1.00 0.00 H new ATOM 0 HB THR A 48 8.470 -3.467 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.089 -1.399 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.492 -2.505 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.131 -3.150 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.878 -1.394 6.905 1.00 0.00 H new ATOM 775 N LEU A 49 9.694 -1.787 2.310 1.00 0.00 N ATOM 776 CA LEU A 49 9.750 -1.970 0.864 1.00 0.00 C ATOM 777 C LEU A 49 10.809 -1.068 0.242 1.00 0.00 C ATOM 778 O LEU A 49 10.575 0.120 0.019 1.00 0.00 O ATOM 779 CB LEU A 49 8.384 -1.680 0.240 1.00 0.00 C ATOM 780 CG LEU A 49 7.193 -2.310 0.966 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.886 -1.899 0.305 1.00 0.00 C ATOM 782 CD2 LEU A 49 7.326 -3.825 0.991 1.00 0.00 C ATOM 0 H LEU A 49 9.120 -1.000 2.614 1.00 0.00 H new ATOM 0 HA LEU A 49 10.020 -3.007 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.239 -0.600 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.390 -2.034 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 49 7.186 -1.948 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.051 -2.357 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.787 -0.814 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.883 -2.231 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.471 -4.257 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.359 -4.204 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.244 -4.101 1.510 1.00 0.00 H new ATOM 794 N SER A 50 11.976 -1.639 -0.036 1.00 0.00 N ATOM 795 CA SER A 50 13.073 -0.886 -0.633 1.00 0.00 C ATOM 796 C SER A 50 14.264 -1.795 -0.922 1.00 0.00 C ATOM 797 O SER A 50 15.237 -1.817 -0.169 1.00 0.00 O ATOM 798 CB SER A 50 13.500 0.255 0.293 1.00 0.00 C ATOM 799 OG SER A 50 14.608 0.959 -0.242 1.00 0.00 O ATOM 0 H SER A 50 12.187 -2.621 0.143 1.00 0.00 H new ATOM 0 HA SER A 50 12.722 -0.467 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.665 0.941 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.759 -0.145 1.273 1.00 0.00 H new ATOM 0 HG SER A 50 14.860 1.684 0.368 1.00 0.00 H new ATOM 805 N ASP A 51 14.179 -2.542 -2.018 1.00 0.00 N ATOM 806 CA ASP A 51 15.249 -3.454 -2.407 1.00 0.00 C ATOM 807 C ASP A 51 16.083 -2.860 -3.538 1.00 0.00 C ATOM 808 O ASP A 51 15.696 -1.867 -4.154 1.00 0.00 O ATOM 809 CB ASP A 51 14.668 -4.800 -2.839 1.00 0.00 C ATOM 810 CG ASP A 51 15.594 -5.958 -2.522 1.00 0.00 C ATOM 811 OD1 ASP A 51 16.824 -5.792 -2.668 1.00 0.00 O ATOM 812 OD2 ASP A 51 15.091 -7.031 -2.125 1.00 0.00 O ATOM 0 H ASP A 51 13.380 -2.534 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 51 15.896 -3.607 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.711 -4.956 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.470 -4.780 -3.911 1.00 0.00 H new ATOM 817 N ASN A 52 17.232 -3.474 -3.805 1.00 0.00 N ATOM 818 CA ASN A 52 18.120 -3.006 -4.862 1.00 0.00 C ATOM 819 C ASN A 52 17.467 -3.166 -6.231 1.00 0.00 C ATOM 820 O ASN A 52 17.564 -2.283 -7.083 1.00 0.00 O ATOM 821 CB ASN A 52 19.444 -3.772 -4.822 1.00 0.00 C ATOM 822 CG ASN A 52 20.485 -3.176 -5.749 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.070 -3.876 -6.577 1.00 0.00 O ATOM 824 ND2 ASN A 52 20.722 -1.875 -5.616 1.00 0.00 N ATOM 0 H ASN A 52 17.569 -4.296 -3.304 1.00 0.00 H new ATOM 0 HA ASN A 52 18.317 -1.947 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.829 -3.774 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.268 -4.811 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.412 -1.419 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.214 -1.333 -4.917 1.00 0.00 H new ATOM 831 N VAL A 53 16.802 -4.299 -6.434 1.00 0.00 N ATOM 832 CA VAL A 53 16.132 -4.575 -7.700 1.00 0.00 C ATOM 833 C VAL A 53 14.831 -3.787 -7.814 1.00 0.00 C ATOM 834 O VAL A 53 14.593 -3.104 -8.811 1.00 0.00 O ATOM 835 CB VAL A 53 15.826 -6.077 -7.859 1.00 0.00 C ATOM 836 CG1 VAL A 53 15.272 -6.366 -9.246 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.072 -6.908 -7.592 1.00 0.00 C ATOM 0 H VAL A 53 16.713 -5.040 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 53 16.813 -4.266 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 53 15.069 -6.353 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.062 -7.432 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.352 -5.801 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.004 -6.073 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.836 -7.966 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.853 -6.630 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.421 -6.724 -6.576 1.00 0.00 H new ATOM 847 N ASN A 54 13.993 -3.887 -6.788 1.00 0.00 N ATOM 848 CA ASN A 54 12.715 -3.183 -6.773 1.00 0.00 C ATOM 849 C ASN A 54 12.767 -1.981 -5.835 1.00 0.00 C ATOM 850 O ASN A 54 12.975 -2.130 -4.631 1.00 0.00 O ATOM 851 CB ASN A 54 11.593 -4.132 -6.347 1.00 0.00 C ATOM 852 CG ASN A 54 11.391 -5.268 -7.330 1.00 0.00 C ATOM 853 OD1 ASN A 54 11.105 -5.042 -8.506 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.537 -6.498 -6.852 1.00 0.00 N ATOM 0 H ASN A 54 14.175 -4.448 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 54 12.513 -2.823 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.822 -4.543 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.664 -3.571 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.412 -7.302 -7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.775 -6.639 -5.870 1.00 0.00 H new ATOM 861 N LEU A 55 12.576 -0.791 -6.396 1.00 0.00 N ATOM 862 CA LEU A 55 12.599 0.437 -5.610 1.00 0.00 C ATOM 863 C LEU A 55 13.962 0.635 -4.947 1.00 0.00 C ATOM 864 O LEU A 55 14.074 0.625 -3.720 1.00 0.00 O ATOM 865 CB LEU A 55 11.499 0.408 -4.547 1.00 0.00 C ATOM 866 CG LEU A 55 10.082 0.210 -5.087 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.205 -0.473 -4.049 1.00 0.00 C ATOM 868 CD2 LEU A 55 9.480 1.543 -5.502 1.00 0.00 C ATOM 0 H LEU A 55 12.404 -0.651 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 55 12.419 1.274 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.718 -0.393 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.531 1.343 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 55 10.135 -0.432 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.201 -0.605 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.627 -1.447 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.158 0.143 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.472 1.384 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.441 2.209 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.096 1.994 -6.280 1.00 0.00 H new ATOM 880 N PRO A 56 15.021 0.816 -5.755 1.00 0.00 N ATOM 881 CA PRO A 56 16.381 1.015 -5.241 1.00 0.00 C ATOM 882 C PRO A 56 16.462 2.176 -4.255 1.00 0.00 C ATOM 883 O PRO A 56 16.792 1.986 -3.084 1.00 0.00 O ATOM 884 CB PRO A 56 17.200 1.325 -6.498 1.00 0.00 C ATOM 885 CG PRO A 56 16.425 0.723 -7.618 1.00 0.00 C ATOM 886 CD PRO A 56 14.978 0.840 -7.228 1.00 0.00 C ATOM 0 HA PRO A 56 16.737 0.145 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 56 17.322 2.399 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.200 0.896 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 56 16.621 1.246 -8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 56 16.705 -0.319 -7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 56 14.534 1.762 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 56 14.386 0.016 -7.627 1.00 0.00 H new ATOM 894 N GLN A 57 16.160 3.377 -4.735 1.00 0.00 N ATOM 895 CA GLN A 57 16.199 4.568 -3.895 1.00 0.00 C ATOM 896 C GLN A 57 15.174 4.473 -2.768 1.00 0.00 C ATOM 897 O GLN A 57 15.418 4.936 -1.654 1.00 0.00 O ATOM 898 CB GLN A 57 15.938 5.820 -4.736 1.00 0.00 C ATOM 899 CG GLN A 57 17.204 6.561 -5.133 1.00 0.00 C ATOM 900 CD GLN A 57 17.898 5.932 -6.326 1.00 0.00 C ATOM 901 OE1 GLN A 57 19.032 5.468 -6.225 1.00 0.00 O ATOM 902 NE2 GLN A 57 17.216 5.915 -7.465 1.00 0.00 N ATOM 0 H GLN A 57 15.885 3.552 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 57 17.193 4.638 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.396 5.535 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.292 6.496 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.957 7.597 -5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.890 6.580 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.277 6.312 -7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.631 5.505 -8.302 1.00 0.00 H new ATOM 911 N GLY A 58 14.029 3.870 -3.067 1.00 0.00 N ATOM 912 CA GLY A 58 12.986 3.725 -2.070 1.00 0.00 C ATOM 913 C GLY A 58 11.601 3.965 -2.639 1.00 0.00 C ATOM 914 O GLY A 58 11.306 3.562 -3.764 1.00 0.00 O ATOM 0 H GLY A 58 13.805 3.479 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.032 2.723 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.167 4.426 -1.255 1.00 0.00 H new ATOM 918 N VAL A 59 10.749 4.622 -1.859 1.00 0.00 N ATOM 919 CA VAL A 59 9.387 4.915 -2.290 1.00 0.00 C ATOM 920 C VAL A 59 9.149 6.420 -2.373 1.00 0.00 C ATOM 921 O VAL A 59 9.405 7.152 -1.417 1.00 0.00 O ATOM 922 CB VAL A 59 8.350 4.289 -1.336 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.500 4.856 0.070 1.00 0.00 C ATOM 924 CG2 VAL A 59 6.938 4.506 -1.861 1.00 0.00 C ATOM 0 H VAL A 59 10.978 4.962 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 59 9.265 4.478 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 59 8.533 3.215 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.759 4.401 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.500 4.638 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.349 5.935 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.221 4.057 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.741 5.575 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.839 4.042 -2.842 1.00 0.00 H new ATOM 934 N ARG A 60 8.659 6.874 -3.522 1.00 0.00 N ATOM 935 CA ARG A 60 8.387 8.291 -3.730 1.00 0.00 C ATOM 936 C ARG A 60 7.021 8.494 -4.380 1.00 0.00 C ATOM 937 O ARG A 60 6.233 9.333 -3.943 1.00 0.00 O ATOM 938 CB ARG A 60 9.478 8.920 -4.599 1.00 0.00 C ATOM 939 CG ARG A 60 10.873 8.790 -4.011 1.00 0.00 C ATOM 940 CD ARG A 60 11.708 10.032 -4.280 1.00 0.00 C ATOM 941 NE ARG A 60 12.008 10.195 -5.700 1.00 0.00 N ATOM 942 CZ ARG A 60 12.984 10.970 -6.167 1.00 0.00 C ATOM 943 NH1 ARG A 60 13.757 11.653 -5.331 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.190 11.061 -7.474 1.00 0.00 N ATOM 0 H ARG A 60 8.442 6.281 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 60 8.382 8.781 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.462 8.452 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.251 9.976 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.802 8.624 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.369 7.918 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.175 10.912 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.640 9.971 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 60 11.436 9.685 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.604 11.585 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.503 12.245 -5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.601 10.537 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.938 11.655 -7.832 1.00 0.00 H new ATOM 958 N THR A 61 6.749 7.722 -5.427 1.00 0.00 N ATOM 959 CA THR A 61 5.480 7.816 -6.138 1.00 0.00 C ATOM 960 C THR A 61 4.684 6.522 -6.007 1.00 0.00 C ATOM 961 O THR A 61 5.058 5.491 -6.567 1.00 0.00 O ATOM 962 CB THR A 61 5.721 8.132 -7.614 1.00 0.00 C ATOM 963 OG1 THR A 61 6.764 9.078 -7.761 1.00 0.00 O ATOM 964 CG2 THR A 61 4.499 8.685 -8.317 1.00 0.00 C ATOM 0 H THR A 61 7.391 7.024 -5.802 1.00 0.00 H new ATOM 0 HA THR A 61 4.901 8.624 -5.690 1.00 0.00 H new ATOM 0 HB THR A 61 5.984 7.179 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.904 9.265 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.740 8.887 -9.361 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.689 7.957 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.187 9.609 -7.831 1.00 0.00 H new ATOM 972 N ILE A 62 3.584 6.582 -5.262 1.00 0.00 N ATOM 973 CA ILE A 62 2.735 5.415 -5.057 1.00 0.00 C ATOM 974 C ILE A 62 1.493 5.476 -5.940 1.00 0.00 C ATOM 975 O ILE A 62 0.640 6.346 -5.768 1.00 0.00 O ATOM 976 CB ILE A 62 2.298 5.289 -3.585 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.506 5.430 -2.656 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.595 3.960 -3.353 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.131 5.667 -1.210 1.00 0.00 C ATOM 0 H ILE A 62 3.261 7.427 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 62 3.328 4.542 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 62 1.597 6.092 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.113 4.527 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.126 6.257 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.292 3.886 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.714 3.898 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.275 3.142 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.036 5.757 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.550 6.586 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.536 4.829 -0.846 1.00 0.00 H new ATOM 991 N TYR A 63 1.398 4.545 -6.883 1.00 0.00 N ATOM 992 CA TYR A 63 0.259 4.492 -7.793 1.00 0.00 C ATOM 993 C TYR A 63 -0.822 3.560 -7.256 1.00 0.00 C ATOM 994 O TYR A 63 -0.653 2.936 -6.208 1.00 0.00 O ATOM 995 CB TYR A 63 0.708 4.028 -9.180 1.00 0.00 C ATOM 996 CG TYR A 63 1.785 4.896 -9.791 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.466 6.093 -10.419 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.121 4.517 -9.739 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.448 6.889 -10.979 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.108 5.307 -10.297 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.767 6.491 -10.915 1.00 0.00 C ATOM 1002 OH TYR A 63 4.747 7.280 -11.471 1.00 0.00 O ATOM 0 H TYR A 63 2.096 3.817 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.159 5.496 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.075 3.004 -9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.155 4.012 -9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.434 6.407 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.392 3.590 -9.255 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.184 7.817 -11.464 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.142 4.998 -10.249 1.00 0.00 H new ATOM 0 HH TYR A 63 5.621 6.857 -11.339 1.00 0.00 H new ATOM 1012 N THR A 64 -1.931 3.469 -7.982 1.00 0.00 N ATOM 1013 CA THR A 64 -3.040 2.612 -7.577 1.00 0.00 C ATOM 1014 C THR A 64 -2.851 1.193 -8.103 1.00 0.00 C ATOM 1015 O THR A 64 -1.889 0.908 -8.816 1.00 0.00 O ATOM 1016 CB THR A 64 -4.365 3.183 -8.084 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.368 3.263 -9.499 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.665 4.566 -7.546 1.00 0.00 C ATOM 0 H THR A 64 -2.086 3.977 -8.853 1.00 0.00 H new ATOM 0 HA THR A 64 -3.060 2.577 -6.488 1.00 0.00 H new ATOM 0 HB THR A 64 -5.132 2.496 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.284 3.155 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.619 4.912 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.718 4.529 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.875 5.253 -7.848 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.775 0.307 -7.746 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.711 -1.083 -8.183 1.00 0.00 C ATOM 1028 C ILE A 65 -3.781 -1.187 -9.705 1.00 0.00 C ATOM 1029 O ILE A 65 -3.295 -2.154 -10.292 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.846 -1.922 -7.561 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.714 -3.391 -7.970 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.205 -1.370 -7.972 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.502 -4.076 -7.377 1.00 0.00 C ATOM 0 H ILE A 65 -4.577 0.527 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.754 -1.478 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.765 -1.860 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.612 -3.928 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.662 -3.454 -9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.994 -1.974 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.298 -0.340 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.297 -1.401 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.472 -5.114 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.598 -3.564 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.562 -4.045 -6.289 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.389 -0.188 -10.337 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.522 -0.171 -11.789 1.00 0.00 C ATOM 1047 C ASP A 66 -3.537 0.811 -12.414 1.00 0.00 C ATOM 1048 O ASP A 66 -3.032 0.585 -13.514 1.00 0.00 O ATOM 1049 CB ASP A 66 -5.952 0.199 -12.187 1.00 0.00 C ATOM 1050 CG ASP A 66 -6.828 -1.020 -12.398 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.101 -1.732 -11.409 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -7.240 -1.262 -13.552 1.00 0.00 O ATOM 0 H ASP A 66 -4.797 0.620 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.296 -1.170 -12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.390 0.828 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.930 0.790 -13.103 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.269 1.904 -11.706 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.346 2.905 -12.208 1.00 0.00 C ATOM 1059 C GLY A 67 -3.059 4.089 -12.832 1.00 0.00 C ATOM 1060 O GLY A 67 -2.524 4.741 -13.728 1.00 0.00 O ATOM 0 H GLY A 67 -3.675 2.114 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.714 3.254 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.688 2.450 -12.948 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.269 4.364 -12.357 1.00 0.00 N ATOM 1065 CA LEU A 68 -5.058 5.476 -12.875 1.00 0.00 C ATOM 1066 C LEU A 68 -4.634 6.790 -12.227 1.00 0.00 C ATOM 1067 O LEU A 68 -4.585 7.831 -12.884 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.548 5.229 -12.629 1.00 0.00 C ATOM 1069 CG LEU A 68 -7.076 3.892 -13.152 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.087 3.300 -12.181 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -7.697 4.068 -14.529 1.00 0.00 C ATOM 0 H LEU A 68 -4.725 3.833 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.881 5.547 -13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.738 5.283 -11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.116 6.034 -13.095 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.238 3.200 -13.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.451 2.349 -12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.611 3.138 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.924 3.988 -12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.068 3.107 -14.886 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.524 4.776 -14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.945 4.447 -15.221 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.331 6.737 -10.934 1.00 0.00 N ATOM 1084 CA LYS A 69 -3.911 7.923 -10.197 1.00 0.00 C ATOM 1085 C LYS A 69 -2.692 7.623 -9.330 1.00 0.00 C ATOM 1086 O LYS A 69 -2.265 6.474 -9.219 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.060 8.442 -9.329 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.749 9.671 -9.902 1.00 0.00 C ATOM 1089 CD LYS A 69 -5.762 10.821 -8.907 1.00 0.00 C ATOM 1090 CE LYS A 69 -4.352 11.244 -8.527 1.00 0.00 C ATOM 1091 NZ LYS A 69 -4.327 12.593 -7.899 1.00 0.00 N ATOM 0 H LYS A 69 -4.369 5.885 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.636 8.692 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.797 7.648 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.676 8.680 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.239 9.983 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.772 9.419 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.294 11.670 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.307 10.523 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.928 10.515 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.722 11.246 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.348 12.844 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.708 13.294 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.908 12.585 -7.036 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.139 8.663 -8.717 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.969 8.512 -7.859 1.00 0.00 C ATOM 1107 C LYS A 70 -1.188 9.197 -6.514 1.00 0.00 C ATOM 1108 O LYS A 70 -1.627 10.345 -6.455 1.00 0.00 O ATOM 1109 CB LYS A 70 0.271 9.091 -8.543 1.00 0.00 C ATOM 1110 CG LYS A 70 0.051 10.477 -9.128 1.00 0.00 C ATOM 1111 CD LYS A 70 1.074 10.796 -10.207 1.00 0.00 C ATOM 1112 CE LYS A 70 2.190 11.680 -9.675 1.00 0.00 C ATOM 1113 NZ LYS A 70 3.524 11.253 -10.179 1.00 0.00 N ATOM 0 H LYS A 70 -2.482 9.620 -8.798 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.814 7.447 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.087 9.135 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.586 8.416 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.953 10.541 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.113 11.222 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.497 9.869 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.580 11.294 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.005 12.714 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.187 11.652 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.234 11.377 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.486 10.252 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.785 11.832 -11.003 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.881 8.483 -5.436 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.046 9.022 -4.091 1.00 0.00 C ATOM 1129 C ILE A 71 -0.026 10.121 -3.811 1.00 0.00 C ATOM 1130 O ILE A 71 1.181 9.891 -3.870 1.00 0.00 O ATOM 1131 CB ILE A 71 -0.903 7.920 -3.024 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -1.783 6.719 -3.377 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.265 8.463 -1.649 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.248 7.068 -3.531 1.00 0.00 C ATOM 0 H ILE A 71 -0.517 7.531 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.051 9.441 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 71 0.136 7.591 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.424 6.276 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.678 5.961 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.159 7.672 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.600 9.289 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.296 8.817 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.812 6.169 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.623 7.483 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.365 7.803 -4.327 1.00 0.00 H new ATOM 1146 N SER A 72 -0.522 11.315 -3.504 1.00 0.00 N ATOM 1147 CA SER A 72 0.346 12.451 -3.213 1.00 0.00 C ATOM 1148 C SER A 72 0.283 12.820 -1.734 1.00 0.00 C ATOM 1149 O SER A 72 1.258 13.307 -1.164 1.00 0.00 O ATOM 1150 CB SER A 72 -0.053 13.656 -4.067 1.00 0.00 C ATOM 1151 OG SER A 72 0.776 14.773 -3.795 1.00 0.00 O ATOM 0 H SER A 72 -1.519 11.521 -3.450 1.00 0.00 H new ATOM 0 HA SER A 72 1.370 12.165 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.017 13.396 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.093 13.915 -3.871 1.00 0.00 H new ATOM 0 HG SER A 72 0.501 15.529 -4.355 1.00 0.00 H new ATOM 1157 N SER A 73 -0.872 12.583 -1.119 1.00 0.00 N ATOM 1158 CA SER A 73 -1.062 12.889 0.294 1.00 0.00 C ATOM 1159 C SER A 73 -1.686 11.707 1.028 1.00 0.00 C ATOM 1160 O SER A 73 -1.926 10.654 0.437 1.00 0.00 O ATOM 1161 CB SER A 73 -1.946 14.128 0.454 1.00 0.00 C ATOM 1162 OG SER A 73 -1.204 15.315 0.231 1.00 0.00 O ATOM 0 H SER A 73 -1.690 12.180 -1.577 1.00 0.00 H new ATOM 0 HA SER A 73 -0.084 13.089 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.778 14.078 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.375 14.146 1.456 1.00 0.00 H new ATOM 0 HG SER A 73 -1.791 16.093 0.337 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.944 11.887 2.319 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.540 10.835 3.134 1.00 0.00 C ATOM 1170 C LEU A 74 -4.053 10.794 2.948 1.00 0.00 C ATOM 1171 O LEU A 74 -4.658 9.721 2.929 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.201 11.050 4.610 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.708 11.036 4.939 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.449 11.725 6.271 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.182 9.608 4.965 1.00 0.00 C ATOM 0 H LEU A 74 -1.750 12.752 2.824 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.126 9.880 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.619 12.005 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.694 10.275 5.197 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.178 11.584 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.619 11.706 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.790 12.759 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.990 11.205 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.882 9.616 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.717 9.037 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.334 9.147 3.989 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.660 11.969 2.814 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.104 12.067 2.632 1.00 0.00 C ATOM 1189 C ASP A 75 -6.546 11.331 1.371 1.00 0.00 C ATOM 1190 O ASP A 75 -7.659 10.811 1.303 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.529 13.534 2.553 1.00 0.00 C ATOM 1192 CG ASP A 75 -7.946 13.752 3.049 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -8.855 13.035 2.580 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -8.145 14.639 3.904 1.00 0.00 O ATOM 0 H ASP A 75 -4.175 12.866 2.828 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.585 11.600 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.843 14.141 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.451 13.877 1.521 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.666 11.289 0.376 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.966 10.616 -0.882 1.00 0.00 C ATOM 1201 C GLN A 76 -6.276 9.141 -0.650 1.00 0.00 C ATOM 1202 O GLN A 76 -7.064 8.539 -1.381 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.791 10.755 -1.853 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.549 12.184 -2.313 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.032 12.430 -3.728 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.887 11.706 -4.240 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.486 13.456 -4.370 1.00 0.00 N ATOM 0 H GLN A 76 -4.739 11.713 0.417 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.846 11.090 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.887 10.378 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.975 10.127 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.056 12.871 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.483 12.406 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.781 14.030 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.772 13.670 -5.325 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.653 8.563 0.372 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.862 7.158 0.699 1.00 0.00 C ATOM 1218 C LEU A 77 -7.298 6.915 1.156 1.00 0.00 C ATOM 1219 O LEU A 77 -8.018 7.852 1.498 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.886 6.716 1.791 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.406 6.813 1.415 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.535 6.773 2.661 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.025 5.694 0.459 1.00 0.00 C ATOM 0 H LEU A 77 -4.999 9.046 0.988 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.680 6.570 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.060 7.323 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.110 5.684 2.061 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.240 7.766 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.486 6.843 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.790 7.610 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.704 5.837 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.969 5.779 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.207 4.731 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.626 5.769 -0.447 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.706 5.649 1.158 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.055 5.283 1.572 1.00 0.00 C ATOM 1237 C VAL A 78 -9.037 4.054 2.474 1.00 0.00 C ATOM 1238 O VAL A 78 -8.196 3.168 2.318 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.958 5.001 0.358 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.402 4.820 0.798 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.842 6.121 -0.666 1.00 0.00 C ATOM 0 H VAL A 78 -7.122 4.861 0.878 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.458 6.132 2.125 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.626 4.075 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.026 4.621 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.469 3.981 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.748 5.728 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.487 5.904 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.146 7.063 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.809 6.199 -1.005 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.971 4.006 3.418 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.063 2.884 4.346 1.00 0.00 C ATOM 1253 C GLU A 79 -10.401 1.594 3.608 1.00 0.00 C ATOM 1254 O GLU A 79 -11.564 1.322 3.311 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.121 3.165 5.416 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.820 2.512 6.754 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.943 1.610 7.230 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -13.119 2.016 7.119 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.647 0.496 7.713 1.00 0.00 O ATOM 0 H GLU A 79 -10.675 4.730 3.561 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.092 2.763 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.205 4.242 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.089 2.814 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.902 1.930 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.640 3.287 7.500 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.376 0.800 3.314 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.585 -0.454 2.614 1.00 0.00 C ATOM 1268 C GLY A 80 -9.305 -0.341 1.128 1.00 0.00 C ATOM 1269 O GLY A 80 -10.219 -0.428 0.308 1.00 0.00 O ATOM 0 H GLY A 80 -8.404 1.003 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.940 -1.219 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.613 -0.783 2.763 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.037 -0.146 0.781 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.638 -0.020 -0.616 1.00 0.00 C ATOM 1275 C GLU A 81 -6.215 -0.532 -0.824 1.00 0.00 C ATOM 1276 O GLU A 81 -5.454 -0.685 0.131 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.739 1.437 -1.068 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.098 1.801 -1.645 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.412 1.042 -2.919 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.460 0.630 -3.615 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.610 0.860 -3.221 1.00 0.00 O ATOM 0 H GLU A 81 -7.269 -0.072 1.448 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.315 -0.627 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.527 2.088 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.971 1.631 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.870 1.595 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.128 2.872 -1.847 1.00 0.00 H new ATOM 1288 N SER A 82 -5.864 -0.794 -2.078 1.00 0.00 N ATOM 1289 CA SER A 82 -4.533 -1.288 -2.414 1.00 0.00 C ATOM 1290 C SER A 82 -3.790 -0.292 -3.298 1.00 0.00 C ATOM 1291 O SER A 82 -4.406 0.513 -3.996 1.00 0.00 O ATOM 1292 CB SER A 82 -4.632 -2.642 -3.121 1.00 0.00 C ATOM 1293 OG SER A 82 -5.598 -3.472 -2.500 1.00 0.00 O ATOM 0 H SER A 82 -6.483 -0.673 -2.880 1.00 0.00 H new ATOM 0 HA SER A 82 -3.973 -1.410 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.897 -2.491 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.660 -3.136 -3.106 1.00 0.00 H new ATOM 0 HG SER A 82 -5.643 -4.330 -2.971 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.463 -0.353 -3.262 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.635 0.544 -4.061 1.00 0.00 C ATOM 1301 C TYR A 83 -0.263 -0.068 -4.318 1.00 0.00 C ATOM 1302 O TYR A 83 0.252 -0.832 -3.502 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.480 1.892 -3.354 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.795 2.515 -2.941 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.350 2.246 -1.696 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.479 3.372 -3.794 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.551 2.813 -1.313 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.679 3.943 -3.418 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.212 3.661 -2.177 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.406 4.228 -1.800 1.00 0.00 O ATOM 0 H TYR A 83 -1.938 -1.013 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.130 0.698 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.857 1.759 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.953 2.581 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.835 1.583 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.066 3.595 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.970 2.593 -0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.198 4.608 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.739 4.800 -2.523 1.00 0.00 H new ATOM 1320 N VAL A 84 0.327 0.275 -5.460 1.00 0.00 N ATOM 1321 CA VAL A 84 1.641 -0.238 -5.825 1.00 0.00 C ATOM 1322 C VAL A 84 2.718 0.822 -5.626 1.00 0.00 C ATOM 1323 O VAL A 84 2.540 1.982 -6.003 1.00 0.00 O ATOM 1324 CB VAL A 84 1.671 -0.715 -7.289 1.00 0.00 C ATOM 1325 CG1 VAL A 84 2.981 -1.427 -7.593 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.484 -1.620 -7.580 1.00 0.00 C ATOM 0 H VAL A 84 -0.085 0.906 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 84 1.843 -1.086 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 84 1.600 0.158 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.983 -1.757 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.814 -0.743 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.086 -2.292 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.522 -1.947 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.520 -2.490 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.442 -1.073 -7.406 1.00 0.00 H new ATOM 1336 N CYS A 85 3.836 0.420 -5.030 1.00 0.00 N ATOM 1337 CA CYS A 85 4.941 1.338 -4.781 1.00 0.00 C ATOM 1338 C CYS A 85 5.943 1.312 -5.931 1.00 0.00 C ATOM 1339 O CYS A 85 6.481 0.259 -6.275 1.00 0.00 O ATOM 1340 CB CYS A 85 5.644 0.977 -3.471 1.00 0.00 C ATOM 1341 SG CYS A 85 4.610 1.177 -2.000 1.00 0.00 S ATOM 0 H CYS A 85 4.000 -0.535 -4.711 1.00 0.00 H new ATOM 0 HA CYS A 85 4.532 2.345 -4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.983 -0.057 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.533 1.599 -3.365 1.00 0.00 H new ATOM 0 HG CYS A 85 3.403 0.772 -2.260 1.00 0.00 H new ATOM 1347 N GLY A 86 6.188 2.477 -6.520 1.00 0.00 N ATOM 1348 CA GLY A 86 7.125 2.567 -7.625 1.00 0.00 C ATOM 1349 C GLY A 86 7.940 3.843 -7.592 1.00 0.00 C ATOM 1350 O GLY A 86 7.412 4.916 -7.295 1.00 0.00 O ATOM 0 H GLY A 86 5.755 3.361 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.797 1.710 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.578 2.513 -8.566 1.00 0.00 H new ATOM 1354 N SER A 87 9.226 3.730 -7.899 1.00 0.00 N ATOM 1355 CA SER A 87 10.111 4.886 -7.906 1.00 0.00 C ATOM 1356 C SER A 87 11.093 4.816 -9.067 1.00 0.00 C ATOM 1357 O SER A 87 11.669 3.765 -9.349 1.00 0.00 O ATOM 1358 CB SER A 87 10.875 4.985 -6.586 1.00 0.00 C ATOM 1359 OG SER A 87 10.912 6.320 -6.115 1.00 0.00 O ATOM 0 H SER A 87 9.678 2.850 -8.146 1.00 0.00 H new ATOM 0 HA SER A 87 9.494 5.776 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.402 4.346 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.892 4.616 -6.723 1.00 0.00 H new ATOM 0 HG SER A 87 11.825 6.668 -6.190 1.00 0.00 H new ATOM 1365 N ILE A 88 11.278 5.947 -9.732 1.00 0.00 N ATOM 1366 CA ILE A 88 12.192 6.035 -10.867 1.00 0.00 C ATOM 1367 C ILE A 88 11.903 4.949 -11.899 1.00 0.00 C ATOM 1368 O ILE A 88 12.804 4.492 -12.602 1.00 0.00 O ATOM 1369 CB ILE A 88 13.661 5.919 -10.415 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.921 6.817 -9.205 1.00 0.00 C ATOM 1371 CG2 ILE A 88 14.597 6.279 -11.560 1.00 0.00 C ATOM 1372 CD1 ILE A 88 13.656 8.283 -9.472 1.00 0.00 C ATOM 0 H ILE A 88 10.806 6.822 -9.505 1.00 0.00 H new ATOM 0 HA ILE A 88 12.033 7.013 -11.322 1.00 0.00 H new ATOM 0 HB ILE A 88 13.854 4.887 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.294 6.488 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.957 6.695 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.631 6.192 -11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.428 5.600 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.404 7.303 -11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.861 8.860 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.302 8.629 -10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.613 8.418 -9.759 1.00 0.00 H new ATOM 1384 N GLU A 89 10.642 4.539 -11.985 1.00 0.00 N ATOM 1385 CA GLU A 89 10.240 3.505 -12.931 1.00 0.00 C ATOM 1386 C GLU A 89 8.738 3.572 -13.207 1.00 0.00 C ATOM 1387 O GLU A 89 7.949 3.871 -12.311 1.00 0.00 O ATOM 1388 CB GLU A 89 10.612 2.121 -12.396 1.00 0.00 C ATOM 1389 CG GLU A 89 9.855 1.730 -11.137 1.00 0.00 C ATOM 1390 CD GLU A 89 10.617 0.736 -10.284 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.246 -0.179 -10.856 1.00 0.00 O ATOM 1392 OE2 GLU A 89 10.584 0.871 -9.043 1.00 0.00 O ATOM 0 H GLU A 89 9.882 4.906 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 89 10.771 3.679 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.420 1.378 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.682 2.097 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.648 2.624 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.892 1.302 -11.415 1.00 0.00 H new ATOM 1399 N PRO A 90 8.320 3.290 -14.455 1.00 0.00 N ATOM 1400 CA PRO A 90 6.905 3.319 -14.839 1.00 0.00 C ATOM 1401 C PRO A 90 6.056 2.384 -13.982 1.00 0.00 C ATOM 1402 O PRO A 90 6.469 1.970 -12.900 1.00 0.00 O ATOM 1403 CB PRO A 90 6.912 2.845 -16.296 1.00 0.00 C ATOM 1404 CG PRO A 90 8.296 3.106 -16.779 1.00 0.00 C ATOM 1405 CD PRO A 90 9.191 2.923 -15.587 1.00 0.00 C ATOM 0 HA PRO A 90 6.470 4.310 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.662 1.787 -16.368 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.177 3.387 -16.891 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.566 2.417 -17.579 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.385 4.115 -17.183 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.548 1.896 -15.505 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.072 3.563 -15.642 1.00 0.00 H new ATOM 1413 N PHE A 91 4.868 2.055 -14.478 1.00 0.00 N ATOM 1414 CA PHE A 91 3.960 1.167 -13.759 1.00 0.00 C ATOM 1415 C PHE A 91 3.918 -0.211 -14.410 1.00 0.00 C ATOM 1416 O PHE A 91 3.785 -0.329 -15.628 1.00 0.00 O ATOM 1417 CB PHE A 91 2.554 1.767 -13.716 1.00 0.00 C ATOM 1418 CG PHE A 91 1.626 1.055 -12.773 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.183 -0.228 -13.053 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.198 1.669 -11.607 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.330 -0.886 -12.187 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.345 1.017 -10.737 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.090 -0.262 -11.028 1.00 0.00 C ATOM 0 H PHE A 91 4.511 2.389 -15.373 1.00 0.00 H new ATOM 0 HA PHE A 91 4.331 1.056 -12.740 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.624 2.814 -13.423 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.127 1.745 -14.719 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.508 -0.719 -13.958 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.535 2.669 -11.375 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.008 -1.886 -12.416 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.019 1.506 -9.831 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.758 -0.773 -10.350 1.00 0.00 H new ATOM 1433 N LYS A 92 4.033 -1.251 -13.590 1.00 0.00 N ATOM 1434 CA LYS A 92 4.008 -2.622 -14.087 1.00 0.00 C ATOM 1435 C LYS A 92 2.708 -3.319 -13.697 1.00 0.00 C ATOM 1436 O LYS A 92 2.354 -3.380 -12.520 1.00 0.00 O ATOM 1437 CB LYS A 92 5.203 -3.406 -13.542 1.00 0.00 C ATOM 1438 CG LYS A 92 6.526 -2.670 -13.680 1.00 0.00 C ATOM 1439 CD LYS A 92 7.692 -3.532 -13.223 1.00 0.00 C ATOM 1440 CE LYS A 92 8.967 -3.186 -13.974 1.00 0.00 C ATOM 1441 NZ LYS A 92 8.995 -3.792 -15.333 1.00 0.00 N ATOM 0 H LYS A 92 4.144 -1.170 -12.579 1.00 0.00 H new ATOM 0 HA LYS A 92 4.069 -2.588 -15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.030 -3.631 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.271 -4.360 -14.065 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.674 -2.377 -14.719 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.497 -1.753 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.850 -3.395 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.451 -4.584 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.056 -2.103 -14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.829 -3.533 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.881 -3.531 -15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.936 -4.827 -15.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.187 -3.441 -15.886 1.00 0.00 H new ATOM 1455 N LYS A 93 2.001 -3.842 -14.694 1.00 0.00 N ATOM 1456 CA LYS A 93 0.740 -4.533 -14.454 1.00 0.00 C ATOM 1457 C LYS A 93 0.980 -6.005 -14.132 1.00 0.00 C ATOM 1458 O LYS A 93 1.413 -6.776 -14.988 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.175 -4.408 -15.675 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.621 -4.096 -15.321 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.586 -5.026 -16.039 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.061 -4.430 -17.355 1.00 0.00 C ATOM 1463 NZ LYS A 93 -3.942 -5.367 -18.104 1.00 0.00 N ATOM 0 H LYS A 93 2.280 -3.800 -15.674 1.00 0.00 H new ATOM 0 HA LYS A 93 0.255 -4.066 -13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.208 -3.623 -16.327 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.141 -5.339 -16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.760 -4.187 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.846 -3.063 -15.585 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.099 -5.983 -16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.445 -5.226 -15.398 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.600 -3.503 -17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.198 -4.174 -17.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.244 -4.923 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.420 -6.242 -18.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.779 -5.592 -17.528 1.00 0.00 H new ATOM 1477 N LEU A 94 0.698 -6.387 -12.890 1.00 0.00 N ATOM 1478 CA LEU A 94 0.884 -7.768 -12.455 1.00 0.00 C ATOM 1479 C LEU A 94 -0.294 -8.233 -11.606 1.00 0.00 C ATOM 1480 O LEU A 94 -1.034 -7.419 -11.053 1.00 0.00 O ATOM 1481 CB LEU A 94 2.185 -7.902 -11.662 1.00 0.00 C ATOM 1482 CG LEU A 94 3.425 -7.328 -12.349 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.573 -7.201 -11.359 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.831 -8.199 -13.529 1.00 0.00 C ATOM 0 H LEU A 94 0.341 -5.761 -12.168 1.00 0.00 H new ATOM 0 HA LEU A 94 0.940 -8.399 -13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.059 -7.405 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.359 -8.958 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 94 3.182 -6.333 -12.723 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.447 -6.791 -11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.280 -6.537 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.816 -8.184 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.715 -7.776 -14.006 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.055 -9.206 -13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.014 -8.240 -14.249 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.462 -9.548 -11.505 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.549 -10.122 -10.722 1.00 0.00 C ATOM 1498 C GLU A 95 -1.198 -10.142 -9.237 1.00 0.00 C ATOM 1499 O GLU A 95 -0.730 -11.153 -8.714 1.00 0.00 O ATOM 1500 CB GLU A 95 -1.859 -11.541 -11.205 1.00 0.00 C ATOM 1501 CG GLU A 95 -2.899 -11.592 -12.312 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.526 -12.561 -13.417 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.547 -12.287 -14.142 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -3.213 -13.595 -13.557 1.00 0.00 O ATOM 0 H GLU A 95 0.141 -10.236 -11.956 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.432 -9.498 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.939 -12.004 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.209 -12.135 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.861 -11.882 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.024 -10.595 -12.735 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.428 -9.019 -8.565 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.136 -8.908 -7.141 1.00 0.00 C ATOM 1513 C TYR A 96 -2.280 -9.471 -6.305 1.00 0.00 C ATOM 1514 O TYR A 96 -2.119 -10.474 -5.609 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.883 -7.447 -6.763 1.00 0.00 C ATOM 1516 CG TYR A 96 0.244 -6.806 -7.539 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.540 -7.299 -7.454 1.00 0.00 C ATOM 1518 CD2 TYR A 96 0.013 -5.707 -8.356 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.574 -6.716 -8.161 1.00 0.00 C ATOM 1520 CE2 TYR A 96 1.041 -5.118 -9.067 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.319 -5.626 -8.967 1.00 0.00 C ATOM 1522 OH TYR A 96 3.345 -5.042 -9.673 1.00 0.00 O ATOM 0 H TYR A 96 -1.816 -8.173 -8.984 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.238 -9.490 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.796 -6.875 -6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.658 -7.390 -5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.743 -8.153 -6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.987 -5.306 -8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.576 -7.111 -8.083 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.844 -4.264 -9.698 1.00 0.00 H new ATOM 0 HH TYR A 96 4.180 -5.126 -9.166 1.00 0.00 H new ATOM 1532 N THR A 97 -3.437 -8.818 -6.376 1.00 0.00 N ATOM 1533 CA THR A 97 -4.611 -9.252 -5.625 1.00 0.00 C ATOM 1534 C THR A 97 -4.936 -10.716 -5.907 1.00 0.00 C ATOM 1535 O THR A 97 -5.530 -11.401 -5.074 1.00 0.00 O ATOM 1536 CB THR A 97 -5.815 -8.375 -5.973 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.046 -8.370 -7.370 1.00 0.00 O ATOM 1538 CG2 THR A 97 -5.656 -6.937 -5.528 1.00 0.00 C ATOM 0 H THR A 97 -3.586 -7.986 -6.946 1.00 0.00 H new ATOM 0 HA THR A 97 -4.387 -9.150 -4.563 1.00 0.00 H new ATOM 0 HB THR A 97 -6.656 -8.814 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.821 -7.805 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.545 -6.370 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.527 -6.903 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.782 -6.501 -6.012 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.544 -11.192 -7.085 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.795 -12.576 -7.473 1.00 0.00 C ATOM 1548 C LYS A 98 -4.179 -13.546 -6.470 1.00 0.00 C ATOM 1549 O LYS A 98 -4.688 -14.648 -6.266 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.233 -12.844 -8.871 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.069 -13.819 -9.684 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.226 -14.548 -10.718 1.00 0.00 C ATOM 1553 CE LYS A 98 -4.642 -16.004 -10.851 1.00 0.00 C ATOM 1554 NZ LYS A 98 -3.604 -16.819 -11.539 1.00 0.00 N ATOM 0 H LYS A 98 -4.051 -10.640 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.874 -12.733 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.161 -11.900 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.220 -13.236 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.536 -14.544 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.874 -13.281 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.323 -14.051 -11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.175 -14.493 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.832 -16.419 -9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.578 -16.065 -11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.927 -17.805 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.441 -16.439 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.718 -16.783 -10.996 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.082 -13.129 -5.845 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.399 -13.963 -4.863 1.00 0.00 C ATOM 1570 C ASN A 99 -2.573 -13.402 -3.455 1.00 0.00 C ATOM 1571 O ASN A 99 -1.713 -13.583 -2.593 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.910 -14.070 -5.201 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.673 -14.441 -6.651 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.961 -15.562 -7.072 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.143 -13.500 -7.424 1.00 0.00 N ATOM 0 H ASN A 99 -2.648 -12.219 -6.001 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.845 -14.957 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.422 -13.119 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.447 -14.817 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.041 -13.693 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.080 -12.585 -7.033 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.694 -12.723 -3.228 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.981 -12.136 -1.924 1.00 0.00 C ATOM 1584 C VAL A 100 -5.455 -12.293 -1.561 1.00 0.00 C ATOM 1585 O VAL A 100 -5.791 -12.636 -0.428 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.612 -10.641 -1.884 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.765 -10.087 -0.476 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.195 -10.426 -2.397 1.00 0.00 C ATOM 0 H VAL A 100 -4.417 -12.566 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.371 -12.672 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.298 -10.101 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.499 -9.030 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.798 -10.203 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.107 -10.630 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.952 -9.364 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.494 -10.980 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.123 -10.780 -3.425 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.330 -12.037 -2.529 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.768 -12.148 -2.313 1.00 0.00 C ATOM 1600 C ASN A 101 -8.235 -11.155 -1.250 1.00 0.00 C ATOM 1601 O ASN A 101 -7.478 -10.802 -0.346 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.137 -13.572 -1.895 1.00 0.00 C ATOM 1603 CG ASN A 101 -7.910 -14.578 -3.006 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -6.967 -15.368 -2.962 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -8.778 -14.554 -4.012 1.00 0.00 N ATOM 0 H ASN A 101 -6.067 -11.751 -3.472 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.270 -11.914 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.546 -13.857 -1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.184 -13.599 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.677 -15.208 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.545 -13.882 -4.008 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.493 -10.688 -1.346 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.056 -9.729 -0.387 1.00 0.00 C ATOM 1614 C PRO A 102 -10.101 -10.288 1.032 1.00 0.00 C ATOM 1615 O PRO A 102 -11.155 -10.704 1.515 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.477 -9.477 -0.909 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.464 -9.936 -2.326 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.463 -11.052 -2.392 1.00 0.00 C ATOM 0 HA PRO A 102 -9.451 -8.825 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.214 -10.028 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.740 -8.421 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.452 -10.280 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.186 -9.123 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.924 -12.020 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.993 -11.116 -3.374 1.00 0.00 H new ATOM 1626 N ASN A 103 -8.951 -10.294 1.697 1.00 0.00 N ATOM 1627 CA ASN A 103 -8.859 -10.801 3.061 1.00 0.00 C ATOM 1628 C ASN A 103 -7.697 -10.149 3.804 1.00 0.00 C ATOM 1629 O ASN A 103 -6.574 -10.652 3.782 1.00 0.00 O ATOM 1630 CB ASN A 103 -8.688 -12.320 3.051 1.00 0.00 C ATOM 1631 CG ASN A 103 -8.985 -12.944 4.401 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -8.168 -13.685 4.947 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -10.159 -12.648 4.944 1.00 0.00 N ATOM 0 H ASN A 103 -8.069 -9.953 1.313 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.784 -10.551 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.350 -12.752 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.668 -12.566 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.415 -13.040 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.805 -12.029 4.455 1.00 0.00 H new ATOM 1640 N TRP A 104 -7.977 -9.028 4.460 1.00 0.00 N ATOM 1641 CA TRP A 104 -6.955 -8.306 5.211 1.00 0.00 C ATOM 1642 C TRP A 104 -7.549 -7.087 5.910 1.00 0.00 C ATOM 1643 O TRP A 104 -7.167 -6.756 7.032 1.00 0.00 O ATOM 1644 CB TRP A 104 -5.821 -7.871 4.281 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.273 -6.969 3.173 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -6.877 -7.344 2.007 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.157 -5.543 3.126 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.145 -6.239 1.238 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.712 -5.120 1.902 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -5.638 -4.581 3.998 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.763 -3.779 1.532 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.690 -3.251 3.629 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.248 -2.859 2.405 1.00 0.00 C ATOM 0 H TRP A 104 -8.902 -8.599 4.487 1.00 0.00 H new ATOM 0 HA TRP A 104 -6.557 -8.979 5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.057 -7.360 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.354 -8.757 3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.110 -8.362 1.730 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.593 -6.249 0.322 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.204 -4.873 4.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.194 -3.475 0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.293 -2.500 4.296 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.272 -1.811 2.145 1.00 0.00 H new ATOM 1664 N SER A 105 -8.485 -6.421 5.240 1.00 0.00 N ATOM 1665 CA SER A 105 -9.131 -5.238 5.798 1.00 0.00 C ATOM 1666 C SER A 105 -10.444 -5.603 6.485 1.00 0.00 C ATOM 1667 O SER A 105 -11.419 -4.854 6.418 1.00 0.00 O ATOM 1668 CB SER A 105 -9.385 -4.205 4.699 1.00 0.00 C ATOM 1669 OG SER A 105 -9.165 -2.889 5.175 1.00 0.00 O ATOM 0 H SER A 105 -8.813 -6.681 4.310 1.00 0.00 H new ATOM 0 HA SER A 105 -8.462 -4.809 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.729 -4.403 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.409 -4.298 4.338 1.00 0.00 H new ATOM 0 HG SER A 105 -9.788 -2.697 5.907 1.00 0.00 H new ATOM 1675 N VAL A 106 -10.462 -6.755 7.146 1.00 0.00 N ATOM 1676 CA VAL A 106 -11.655 -7.217 7.846 1.00 0.00 C ATOM 1677 C VAL A 106 -11.287 -7.901 9.158 1.00 0.00 C ATOM 1678 O VAL A 106 -11.878 -7.624 10.202 1.00 0.00 O ATOM 1679 CB VAL A 106 -12.473 -8.194 6.981 1.00 0.00 C ATOM 1680 CG1 VAL A 106 -13.803 -8.512 7.647 1.00 0.00 C ATOM 1681 CG2 VAL A 106 -12.689 -7.622 5.589 1.00 0.00 C ATOM 0 H VAL A 106 -9.664 -7.386 7.212 1.00 0.00 H new ATOM 0 HA VAL A 106 -12.262 -6.336 8.054 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.911 -9.123 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.367 -9.204 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -13.623 -8.968 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.374 -7.593 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.269 -8.326 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.229 -6.678 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.724 -7.451 5.112 1.00 0.00 H new ATOM 1691 N ASN A 107 -10.307 -8.796 9.096 1.00 0.00 N ATOM 1692 CA ASN A 107 -9.857 -9.521 10.279 1.00 0.00 C ATOM 1693 C ASN A 107 -9.031 -8.617 11.191 1.00 0.00 C ATOM 1694 O ASN A 107 -8.948 -8.847 12.398 1.00 0.00 O ATOM 1695 CB ASN A 107 -9.031 -10.743 9.871 1.00 0.00 C ATOM 1696 CG ASN A 107 -9.157 -11.883 10.863 1.00 0.00 C ATOM 1697 OD1 ASN A 107 -9.142 -11.670 12.075 1.00 0.00 O ATOM 1698 ND2 ASN A 107 -9.279 -13.102 10.352 1.00 0.00 N ATOM 0 H ASN A 107 -9.809 -9.037 8.239 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.739 -9.853 10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.353 -11.084 8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.983 -10.457 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.365 -13.908 10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.287 -13.233 9.340 1.00 0.00 H new ATOM 1705 N VAL A 108 -8.419 -7.591 10.606 1.00 0.00 N ATOM 1706 CA VAL A 108 -7.600 -6.653 11.365 1.00 0.00 C ATOM 1707 C VAL A 108 -6.339 -7.329 11.895 1.00 0.00 C ATOM 1708 O VAL A 108 -6.408 -8.213 12.749 1.00 0.00 O ATOM 1709 CB VAL A 108 -8.380 -6.051 12.549 1.00 0.00 C ATOM 1710 CG1 VAL A 108 -7.584 -4.929 13.197 1.00 0.00 C ATOM 1711 CG2 VAL A 108 -9.743 -5.554 12.092 1.00 0.00 C ATOM 0 H VAL A 108 -8.475 -7.389 9.608 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.322 -5.852 10.679 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.535 -6.832 13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.151 -4.516 14.031 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.634 -5.320 13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.396 -4.146 12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.280 -5.132 12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.613 -4.788 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.314 -6.386 11.679 1.00 0.00 H new ATOM 1721 N LYS A 109 -5.189 -6.905 11.383 1.00 0.00 N ATOM 1722 CA LYS A 109 -3.911 -7.467 11.805 1.00 0.00 C ATOM 1723 C LYS A 109 -3.454 -6.850 13.123 1.00 0.00 C ATOM 1724 O LYS A 109 -2.776 -7.497 13.920 1.00 0.00 O ATOM 1725 CB LYS A 109 -2.849 -7.241 10.727 1.00 0.00 C ATOM 1726 CG LYS A 109 -1.784 -8.324 10.686 1.00 0.00 C ATOM 1727 CD LYS A 109 -0.644 -7.949 9.752 1.00 0.00 C ATOM 1728 CE LYS A 109 -0.147 -9.154 8.969 1.00 0.00 C ATOM 1729 NZ LYS A 109 0.610 -10.103 9.831 1.00 0.00 N ATOM 0 H LYS A 109 -5.115 -6.174 10.675 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.045 -8.538 11.953 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.337 -7.186 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.369 -6.277 10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.394 -8.490 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.231 -9.263 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.978 -7.176 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.177 -7.525 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.995 -9.670 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.491 -8.818 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.931 -10.910 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.434 -9.618 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.006 -10.444 10.596 1.00 0.00 H new ATOM 1743 N THR A 110 -3.833 -5.594 13.345 1.00 0.00 N ATOM 1744 CA THR A 110 -3.465 -4.884 14.566 1.00 0.00 C ATOM 1745 C THR A 110 -1.965 -4.603 14.604 1.00 0.00 C ATOM 1746 O THR A 110 -1.538 -3.453 14.508 1.00 0.00 O ATOM 1747 CB THR A 110 -3.878 -5.690 15.801 1.00 0.00 C ATOM 1748 OG1 THR A 110 -5.209 -6.157 15.672 1.00 0.00 O ATOM 1749 CG2 THR A 110 -3.792 -4.897 17.088 1.00 0.00 C ATOM 0 H THR A 110 -4.396 -5.047 12.694 1.00 0.00 H new ATOM 0 HA THR A 110 -3.995 -3.931 14.572 1.00 0.00 H new ATOM 0 HB THR A 110 -3.172 -6.519 15.856 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.454 -6.671 16.470 1.00 0.00 H new ATOM 0 HG21 THR A 110 -4.098 -5.526 17.924 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.766 -4.563 17.242 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.450 -4.030 17.026 1.00 0.00 H new ATOM 1757 N SER A 111 -1.172 -5.660 14.744 1.00 0.00 N ATOM 1758 CA SER A 111 0.280 -5.525 14.794 1.00 0.00 C ATOM 1759 C SER A 111 0.704 -4.623 15.948 1.00 0.00 C ATOM 1760 O SER A 111 -0.107 -4.269 16.803 1.00 0.00 O ATOM 1761 CB SER A 111 0.805 -4.962 13.472 1.00 0.00 C ATOM 1762 OG SER A 111 2.210 -5.125 13.370 1.00 0.00 O ATOM 0 H SER A 111 -1.510 -6.619 14.825 1.00 0.00 H new ATOM 0 HA SER A 111 0.707 -6.515 14.956 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.316 -5.466 12.639 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.552 -3.904 13.398 1.00 0.00 H new ATOM 0 HG SER A 111 2.521 -4.759 12.516 1.00 0.00 H new ATOM 1768 N GLY A 112 1.982 -4.255 15.967 1.00 0.00 N ATOM 1769 CA GLY A 112 2.491 -3.397 17.021 1.00 0.00 C ATOM 1770 C GLY A 112 3.403 -2.307 16.491 1.00 0.00 C ATOM 1771 O GLY A 112 3.334 -1.956 15.314 1.00 0.00 O ATOM 0 H GLY A 112 2.673 -4.536 15.272 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.654 -2.941 17.550 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.036 -4.001 17.746 1.00 0.00 H new ATOM 1775 N PRO A 113 4.278 -1.748 17.345 1.00 0.00 N ATOM 1776 CA PRO A 113 5.207 -0.686 16.942 1.00 0.00 C ATOM 1777 C PRO A 113 6.012 -1.062 15.703 1.00 0.00 C ATOM 1778 O PRO A 113 5.984 -0.356 14.696 1.00 0.00 O ATOM 1779 CB PRO A 113 6.128 -0.540 18.156 1.00 0.00 C ATOM 1780 CG PRO A 113 5.316 -1.018 19.309 1.00 0.00 C ATOM 1781 CD PRO A 113 4.430 -2.106 18.768 1.00 0.00 C ATOM 0 HA PRO A 113 4.686 0.233 16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.035 -1.133 18.038 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.440 0.495 18.294 1.00 0.00 H new ATOM 0 HG2 PRO A 113 5.955 -1.396 20.107 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.724 -0.207 19.732 1.00 0.00 H new ATOM 0 HD2 PRO A 113 4.883 -3.090 18.888 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.468 -2.133 19.280 1.00 0.00 H new ATOM 1789 N SER A 114 6.730 -2.179 15.788 1.00 0.00 N ATOM 1790 CA SER A 114 7.546 -2.654 14.675 1.00 0.00 C ATOM 1791 C SER A 114 8.649 -1.654 14.338 1.00 0.00 C ATOM 1792 O SER A 114 9.800 -1.828 14.738 1.00 0.00 O ATOM 1793 CB SER A 114 6.674 -2.911 13.444 1.00 0.00 C ATOM 1794 OG SER A 114 5.987 -4.145 13.553 1.00 0.00 O ATOM 0 H SER A 114 6.763 -2.772 16.617 1.00 0.00 H new ATOM 0 HA SER A 114 8.014 -3.591 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.955 -2.100 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.296 -2.915 12.549 1.00 0.00 H new ATOM 0 HG SER A 114 5.436 -4.284 12.755 1.00 0.00 H new ATOM 1800 N SER A 115 8.291 -0.607 13.601 1.00 0.00 N ATOM 1801 CA SER A 115 9.253 0.419 13.213 1.00 0.00 C ATOM 1802 C SER A 115 8.817 1.792 13.715 1.00 0.00 C ATOM 1803 O SER A 115 7.725 1.946 14.262 1.00 0.00 O ATOM 1804 CB SER A 115 9.412 0.448 11.692 1.00 0.00 C ATOM 1805 OG SER A 115 8.182 0.744 11.054 1.00 0.00 O ATOM 0 H SER A 115 7.343 -0.447 13.261 1.00 0.00 H new ATOM 0 HA SER A 115 10.212 0.173 13.668 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.157 1.194 11.416 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.782 -0.516 11.344 1.00 0.00 H new ATOM 0 HG SER A 115 8.313 1.473 10.412 1.00 0.00 H new ATOM 1811 N GLY A 116 9.677 2.786 13.527 1.00 0.00 N ATOM 1812 CA GLY A 116 9.364 4.133 13.966 1.00 0.00 C ATOM 1813 C GLY A 116 10.014 4.477 15.292 1.00 0.00 C ATOM 1814 O GLY A 116 10.785 5.458 15.338 1.00 0.00 O ATOM 1815 OXT GLY A 116 9.752 3.765 16.284 1.00 0.00 O ATOM 0 H GLY A 116 10.587 2.683 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.693 4.844 13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.283 4.240 14.056 1.00 0.00 H new TER 1819 GLY A 116