USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= -0.86 X(o=-0.86,f=-0.38) USER MOD Set 1.2: A 47 THR OG1 : 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=-0.00719 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 16 TYR OH : rot -165:sc= 1.26 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -57:sc= 1.19 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 44 MET CE :methyl -176:sc= 0 (180deg=-0.0066) USER MOD Single : A 48 ASN : amide:sc= 0.389 K(o=0.39,f=-9.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 54 GLN : amide:sc= 0.278 K(o=0.28,f=-2.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 49:sc= 0.496 USER MOD Single : A 70 SER OG : rot 34:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.038 8.217 7.536 1.00 0.00 N ATOM 2 CA GLY A 1 -20.816 8.825 7.045 1.00 0.00 C ATOM 3 C GLY A 1 -20.238 8.086 5.854 1.00 0.00 C ATOM 4 O GLY A 1 -20.720 8.232 4.731 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.393 8.759 8.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.753 8.217 6.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.845 7.238 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.016 9.859 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.078 8.849 7.847 1.00 0.00 H new ATOM 8 N SER A 2 -19.201 7.291 6.100 1.00 0.00 N ATOM 9 CA SER A 2 -18.553 6.530 5.038 1.00 0.00 C ATOM 10 C SER A 2 -18.534 7.324 3.735 1.00 0.00 C ATOM 11 O SER A 2 -18.784 6.779 2.660 1.00 0.00 O ATOM 12 CB SER A 2 -19.272 5.197 4.826 1.00 0.00 C ATOM 13 OG SER A 2 -20.608 5.400 4.400 1.00 0.00 O ATOM 0 H SER A 2 -18.792 7.157 7.025 1.00 0.00 H new ATOM 0 HA SER A 2 -17.524 6.335 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.736 4.605 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.266 4.625 5.754 1.00 0.00 H new ATOM 0 HG SER A 2 -21.045 4.533 4.270 1.00 0.00 H new ATOM 19 N SER A 3 -18.235 8.615 3.840 1.00 0.00 N ATOM 20 CA SER A 3 -18.186 9.486 2.671 1.00 0.00 C ATOM 21 C SER A 3 -16.810 10.129 2.530 1.00 0.00 C ATOM 22 O SER A 3 -16.254 10.651 3.496 1.00 0.00 O ATOM 23 CB SER A 3 -19.261 10.570 2.772 1.00 0.00 C ATOM 24 OG SER A 3 -18.860 11.605 3.652 1.00 0.00 O ATOM 0 H SER A 3 -18.023 9.081 4.722 1.00 0.00 H new ATOM 0 HA SER A 3 -18.375 8.878 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.458 10.985 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.194 10.130 3.124 1.00 0.00 H new ATOM 0 HG SER A 3 -19.563 12.286 3.698 1.00 0.00 H new ATOM 30 N GLY A 4 -16.266 10.088 1.318 1.00 0.00 N ATOM 31 CA GLY A 4 -14.959 10.670 1.071 1.00 0.00 C ATOM 32 C GLY A 4 -14.919 11.482 -0.209 1.00 0.00 C ATOM 33 O GLY A 4 -15.405 11.038 -1.249 1.00 0.00 O ATOM 0 H GLY A 4 -16.707 9.662 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.684 11.308 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.215 9.875 1.017 1.00 0.00 H new ATOM 37 N SER A 5 -14.339 12.675 -0.132 1.00 0.00 N ATOM 38 CA SER A 5 -14.241 13.553 -1.292 1.00 0.00 C ATOM 39 C SER A 5 -12.887 13.400 -1.977 1.00 0.00 C ATOM 40 O SER A 5 -12.805 13.300 -3.201 1.00 0.00 O ATOM 41 CB SER A 5 -14.453 15.010 -0.875 1.00 0.00 C ATOM 42 OG SER A 5 -14.030 15.899 -1.894 1.00 0.00 O ATOM 0 H SER A 5 -13.930 13.056 0.721 1.00 0.00 H new ATOM 0 HA SER A 5 -15.020 13.268 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.507 15.179 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.900 15.213 0.042 1.00 0.00 H new ATOM 0 HG SER A 5 -14.177 16.823 -1.604 1.00 0.00 H new ATOM 48 N SER A 6 -11.825 13.384 -1.178 1.00 0.00 N ATOM 49 CA SER A 6 -10.472 13.248 -1.706 1.00 0.00 C ATOM 50 C SER A 6 -9.918 11.854 -1.426 1.00 0.00 C ATOM 51 O SER A 6 -9.796 11.442 -0.273 1.00 0.00 O ATOM 52 CB SER A 6 -9.554 14.307 -1.093 1.00 0.00 C ATOM 53 OG SER A 6 -9.589 15.508 -1.844 1.00 0.00 O ATOM 0 H SER A 6 -11.875 13.464 -0.162 1.00 0.00 H new ATOM 0 HA SER A 6 -10.513 13.394 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.860 14.507 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.533 13.929 -1.054 1.00 0.00 H new ATOM 0 HG SER A 6 -8.995 16.169 -1.431 1.00 0.00 H new ATOM 59 N GLY A 7 -9.584 11.132 -2.491 1.00 0.00 N ATOM 60 CA GLY A 7 -9.047 9.792 -2.340 1.00 0.00 C ATOM 61 C GLY A 7 -7.549 9.739 -2.571 1.00 0.00 C ATOM 62 O GLY A 7 -7.095 9.412 -3.667 1.00 0.00 O ATOM 0 H GLY A 7 -9.676 11.451 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.270 9.425 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.544 9.123 -3.043 1.00 0.00 H new ATOM 66 N ARG A 8 -6.781 10.062 -1.536 1.00 0.00 N ATOM 67 CA ARG A 8 -5.326 10.052 -1.632 1.00 0.00 C ATOM 68 C ARG A 8 -4.841 8.832 -2.409 1.00 0.00 C ATOM 69 O ARG A 8 -5.525 7.810 -2.471 1.00 0.00 O ATOM 70 CB ARG A 8 -4.702 10.061 -0.235 1.00 0.00 C ATOM 71 CG ARG A 8 -3.286 9.509 -0.197 1.00 0.00 C ATOM 72 CD ARG A 8 -2.577 9.882 1.095 1.00 0.00 C ATOM 73 NE ARG A 8 -3.162 9.212 2.253 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.868 9.526 3.510 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.001 10.495 3.769 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.442 8.871 4.511 1.00 0.00 N ATOM 0 H ARG A 8 -7.142 10.334 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.016 10.949 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.695 11.083 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.329 9.476 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.315 8.424 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.722 9.893 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.522 9.619 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.627 10.962 1.237 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.833 8.462 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.558 11.001 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.777 10.734 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.110 8.125 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.215 9.113 5.476 1.00 0.00 H new ATOM 90 N ARG A 9 -3.657 8.947 -3.002 1.00 0.00 N ATOM 91 CA ARG A 9 -3.081 7.855 -3.777 1.00 0.00 C ATOM 92 C ARG A 9 -1.731 7.434 -3.205 1.00 0.00 C ATOM 93 O ARG A 9 -0.970 8.264 -2.706 1.00 0.00 O ATOM 94 CB ARG A 9 -2.920 8.269 -5.241 1.00 0.00 C ATOM 95 CG ARG A 9 -4.149 7.993 -6.091 1.00 0.00 C ATOM 96 CD ARG A 9 -4.143 6.572 -6.633 1.00 0.00 C ATOM 97 NE ARG A 9 -5.457 6.170 -7.128 1.00 0.00 N ATOM 98 CZ ARG A 9 -6.018 6.679 -8.219 1.00 0.00 C ATOM 99 NH1 ARG A 9 -5.383 7.604 -8.925 1.00 0.00 N ATOM 100 NH2 ARG A 9 -7.217 6.261 -8.607 1.00 0.00 N ATOM 0 H ARG A 9 -3.078 9.786 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.761 7.005 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.690 9.333 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.068 7.740 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.048 8.153 -5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.186 8.700 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.413 6.494 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.826 5.886 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.972 5.460 -6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.461 7.927 -8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.816 7.993 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.708 5.548 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.647 6.652 -9.445 1.00 0.00 H new ATOM 114 N VAL A 10 -1.439 6.140 -3.279 1.00 0.00 N ATOM 115 CA VAL A 10 -0.181 5.609 -2.769 1.00 0.00 C ATOM 116 C VAL A 10 0.360 4.510 -3.676 1.00 0.00 C ATOM 117 O VAL A 10 -0.389 3.888 -4.429 1.00 0.00 O ATOM 118 CB VAL A 10 -0.344 5.048 -1.344 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.641 6.170 -0.360 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.440 3.994 -1.309 1.00 0.00 C ATOM 0 H VAL A 10 -2.057 5.439 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 10 0.526 6.439 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 10 0.593 4.575 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.753 5.755 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.180 6.886 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.563 6.673 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.542 3.608 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.384 4.440 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.181 3.178 -1.983 1.00 0.00 H new ATOM 130 N ARG A 11 1.666 4.275 -3.599 1.00 0.00 N ATOM 131 CA ARG A 11 2.308 3.251 -4.414 1.00 0.00 C ATOM 132 C ARG A 11 3.276 2.418 -3.578 1.00 0.00 C ATOM 133 O ARG A 11 3.956 2.940 -2.695 1.00 0.00 O ATOM 134 CB ARG A 11 3.052 3.894 -5.586 1.00 0.00 C ATOM 135 CG ARG A 11 3.776 2.892 -6.471 1.00 0.00 C ATOM 136 CD ARG A 11 4.199 3.518 -7.790 1.00 0.00 C ATOM 137 NE ARG A 11 5.464 4.239 -7.673 1.00 0.00 N ATOM 138 CZ ARG A 11 6.154 4.687 -8.716 1.00 0.00 C ATOM 139 NH1 ARG A 11 5.703 4.489 -9.948 1.00 0.00 N ATOM 140 NH2 ARG A 11 7.297 5.335 -8.529 1.00 0.00 N ATOM 0 H ARG A 11 2.300 4.780 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 11 1.532 2.592 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.341 4.455 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.775 4.611 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.654 2.512 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.126 2.039 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.294 2.739 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.422 4.202 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 11 5.838 4.408 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.825 3.992 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.235 4.834 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.647 5.490 -7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.826 5.678 -9.331 1.00 0.00 H new ATOM 154 N ALA A 12 3.330 1.121 -3.863 1.00 0.00 N ATOM 155 CA ALA A 12 4.215 0.217 -3.139 1.00 0.00 C ATOM 156 C ALA A 12 5.625 0.247 -3.718 1.00 0.00 C ATOM 157 O ALA A 12 5.888 -0.341 -4.767 1.00 0.00 O ATOM 158 CB ALA A 12 3.661 -1.200 -3.168 1.00 0.00 C ATOM 0 H ALA A 12 2.772 0.673 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 12 4.269 0.554 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.332 -1.864 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.677 -1.215 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.577 -1.537 -4.201 1.00 0.00 H new ATOM 164 N ILE A 13 6.528 0.937 -3.029 1.00 0.00 N ATOM 165 CA ILE A 13 7.911 1.043 -3.476 1.00 0.00 C ATOM 166 C ILE A 13 8.617 -0.306 -3.406 1.00 0.00 C ATOM 167 O ILE A 13 9.625 -0.529 -4.079 1.00 0.00 O ATOM 168 CB ILE A 13 8.698 2.066 -2.635 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.623 1.703 -1.151 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.161 3.470 -2.871 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.600 2.474 -0.291 1.00 0.00 C ATOM 0 H ILE A 13 6.326 1.431 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 13 7.882 1.382 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 13 9.743 2.042 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.611 1.887 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.813 0.636 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.727 4.182 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.261 3.725 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.110 3.510 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.491 2.166 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.618 2.271 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.396 3.541 -0.376 1.00 0.00 H new ATOM 183 N LEU A 14 8.081 -1.206 -2.588 1.00 0.00 N ATOM 184 CA LEU A 14 8.659 -2.536 -2.430 1.00 0.00 C ATOM 185 C LEU A 14 7.567 -3.585 -2.249 1.00 0.00 C ATOM 186 O LEU A 14 6.445 -3.286 -1.838 1.00 0.00 O ATOM 187 CB LEU A 14 9.610 -2.562 -1.232 1.00 0.00 C ATOM 188 CG LEU A 14 11.009 -1.993 -1.474 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.742 -1.800 -0.156 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.802 -2.905 -2.399 1.00 0.00 C ATOM 0 H LEU A 14 7.248 -1.039 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 14 9.219 -2.772 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.149 -2.006 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.712 -3.594 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 14 10.907 -1.020 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.735 -1.395 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.183 -1.108 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.834 -2.759 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.795 -2.485 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.895 -3.892 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.285 -2.992 -3.355 1.00 0.00 H new ATOM 202 N PRO A 15 7.900 -4.847 -2.560 1.00 0.00 N ATOM 203 CA PRO A 15 6.963 -5.967 -2.437 1.00 0.00 C ATOM 204 C PRO A 15 6.650 -6.304 -0.983 1.00 0.00 C ATOM 205 O PRO A 15 7.488 -6.122 -0.099 1.00 0.00 O ATOM 206 CB PRO A 15 7.705 -7.126 -3.107 1.00 0.00 C ATOM 207 CG PRO A 15 9.147 -6.777 -2.978 1.00 0.00 C ATOM 208 CD PRO A 15 9.219 -5.277 -3.055 1.00 0.00 C ATOM 0 HA PRO A 15 5.998 -5.742 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.482 -8.074 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.415 -7.230 -4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.553 -7.139 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.733 -7.237 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.028 -4.881 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.397 -4.935 -4.075 1.00 0.00 H new ATOM 216 N TYR A 16 5.440 -6.797 -0.742 1.00 0.00 N ATOM 217 CA TYR A 16 5.016 -7.158 0.606 1.00 0.00 C ATOM 218 C TYR A 16 4.366 -8.538 0.621 1.00 0.00 C ATOM 219 O TYR A 16 3.808 -8.987 -0.381 1.00 0.00 O ATOM 220 CB TYR A 16 4.039 -6.116 1.152 1.00 0.00 C ATOM 221 CG TYR A 16 3.614 -6.375 2.580 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.546 -6.719 3.551 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.280 -6.276 2.957 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.161 -6.957 4.857 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.887 -6.511 4.260 1.00 0.00 C ATOM 226 CZ TYR A 16 2.831 -6.851 5.206 1.00 0.00 C ATOM 227 OH TYR A 16 2.444 -7.087 6.506 1.00 0.00 O ATOM 0 H TYR A 16 4.736 -6.956 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 16 5.900 -7.186 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.501 -5.130 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.154 -6.092 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.588 -6.802 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.538 -6.011 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.898 -7.225 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.846 -6.429 4.536 1.00 0.00 H new ATOM 0 HH TYR A 16 1.472 -7.208 6.541 1.00 0.00 H new ATOM 237 N THR A 17 4.442 -9.208 1.767 1.00 0.00 N ATOM 238 CA THR A 17 3.863 -10.537 1.915 1.00 0.00 C ATOM 239 C THR A 17 2.723 -10.530 2.927 1.00 0.00 C ATOM 240 O THR A 17 2.949 -10.629 4.133 1.00 0.00 O ATOM 241 CB THR A 17 4.921 -11.566 2.357 1.00 0.00 C ATOM 242 OG1 THR A 17 6.044 -11.525 1.471 1.00 0.00 O ATOM 243 CG2 THR A 17 4.336 -12.969 2.379 1.00 0.00 C ATOM 0 H THR A 17 4.899 -8.851 2.606 1.00 0.00 H new ATOM 0 HA THR A 17 3.476 -10.823 0.937 1.00 0.00 H new ATOM 0 HB THR A 17 5.245 -11.310 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.713 -12.181 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.102 -13.678 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.500 -13.004 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.986 -13.233 1.381 1.00 0.00 H new ATOM 251 N LYS A 18 1.497 -10.414 2.429 1.00 0.00 N ATOM 252 CA LYS A 18 0.319 -10.397 3.289 1.00 0.00 C ATOM 253 C LYS A 18 0.421 -11.466 4.373 1.00 0.00 C ATOM 254 O LYS A 18 1.129 -12.460 4.213 1.00 0.00 O ATOM 255 CB LYS A 18 -0.947 -10.615 2.459 1.00 0.00 C ATOM 256 CG LYS A 18 -1.099 -12.036 1.944 1.00 0.00 C ATOM 257 CD LYS A 18 -2.540 -12.344 1.573 1.00 0.00 C ATOM 258 CE LYS A 18 -3.349 -12.775 2.788 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.110 -14.203 3.134 1.00 0.00 N ATOM 0 H LYS A 18 1.293 -10.330 1.433 1.00 0.00 H new ATOM 0 HA LYS A 18 0.266 -9.421 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.817 -10.362 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.939 -9.929 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.460 -12.178 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.761 -12.738 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.998 -11.462 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.563 -13.133 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.089 -12.146 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.410 -12.622 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.679 -14.458 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.382 -14.805 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.102 -14.345 3.347 1.00 0.00 H new ATOM 273 N VAL A 19 -0.292 -11.255 5.474 1.00 0.00 N ATOM 274 CA VAL A 19 -0.284 -12.202 6.583 1.00 0.00 C ATOM 275 C VAL A 19 -1.432 -13.198 6.463 1.00 0.00 C ATOM 276 O VAL A 19 -2.557 -12.846 6.109 1.00 0.00 O ATOM 277 CB VAL A 19 -0.385 -11.479 7.939 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.462 -12.486 9.077 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.794 -10.537 8.130 1.00 0.00 C ATOM 0 H VAL A 19 -0.883 -10.437 5.622 1.00 0.00 H new ATOM 0 HA VAL A 19 0.664 -12.738 6.535 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.300 -10.886 7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.533 -11.957 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.342 -13.116 8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.433 -13.108 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.706 -10.035 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.723 -11.106 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.799 -9.794 7.333 1.00 0.00 H new ATOM 289 N PRO A 20 -1.143 -14.472 6.766 1.00 0.00 N ATOM 290 CA PRO A 20 -2.139 -15.546 6.701 1.00 0.00 C ATOM 291 C PRO A 20 -3.196 -15.423 7.793 1.00 0.00 C ATOM 292 O PRO A 20 -2.886 -15.088 8.936 1.00 0.00 O ATOM 293 CB PRO A 20 -1.306 -16.815 6.904 1.00 0.00 C ATOM 294 CG PRO A 20 -0.107 -16.363 7.664 1.00 0.00 C ATOM 295 CD PRO A 20 0.177 -14.963 7.196 1.00 0.00 C ATOM 0 HA PRO A 20 -2.695 -15.530 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.864 -17.571 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.025 -17.261 5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.294 -16.385 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.744 -17.018 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.593 -14.349 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.896 -14.951 6.377 1.00 0.00 H new ATOM 303 N ASP A 21 -4.446 -15.697 7.434 1.00 0.00 N ATOM 304 CA ASP A 21 -5.549 -15.618 8.384 1.00 0.00 C ATOM 305 C ASP A 21 -5.846 -14.168 8.754 1.00 0.00 C ATOM 306 O ASP A 21 -6.121 -13.855 9.913 1.00 0.00 O ATOM 307 CB ASP A 21 -5.224 -16.423 9.644 1.00 0.00 C ATOM 308 CG ASP A 21 -6.469 -16.911 10.357 1.00 0.00 C ATOM 309 OD1 ASP A 21 -7.035 -16.138 11.158 1.00 0.00 O ATOM 310 OD2 ASP A 21 -6.878 -18.066 10.114 1.00 0.00 O ATOM 0 H ASP A 21 -4.720 -15.976 6.492 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.435 -16.041 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.604 -17.278 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.638 -15.806 10.325 1.00 0.00 H new ATOM 315 N THR A 22 -5.787 -13.286 7.761 1.00 0.00 N ATOM 316 CA THR A 22 -6.047 -11.869 7.982 1.00 0.00 C ATOM 317 C THR A 22 -6.593 -11.207 6.722 1.00 0.00 C ATOM 318 O THR A 22 -6.726 -11.850 5.680 1.00 0.00 O ATOM 319 CB THR A 22 -4.773 -11.127 8.427 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.807 -11.134 7.370 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.177 -11.772 9.670 1.00 0.00 C ATOM 0 H THR A 22 -5.561 -13.528 6.796 1.00 0.00 H new ATOM 0 HA THR A 22 -6.792 -11.804 8.775 1.00 0.00 H new ATOM 0 HB THR A 22 -5.043 -10.098 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.607 -12.059 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.278 -11.231 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.904 -11.738 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.921 -12.809 9.455 1.00 0.00 H new ATOM 329 N ASP A 23 -6.905 -9.920 6.823 1.00 0.00 N ATOM 330 CA ASP A 23 -7.434 -9.170 5.690 1.00 0.00 C ATOM 331 C ASP A 23 -6.304 -8.605 4.836 1.00 0.00 C ATOM 332 O ASP A 23 -6.515 -8.218 3.687 1.00 0.00 O ATOM 333 CB ASP A 23 -8.338 -8.037 6.178 1.00 0.00 C ATOM 334 CG ASP A 23 -9.777 -8.479 6.355 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.523 -8.488 5.354 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.157 -8.816 7.496 1.00 0.00 O ATOM 0 H ASP A 23 -6.801 -9.374 7.678 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.021 -9.853 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.959 -7.657 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.299 -7.213 5.466 1.00 0.00 H new ATOM 341 N GLU A 24 -5.104 -8.559 5.407 1.00 0.00 N ATOM 342 CA GLU A 24 -3.941 -8.038 4.698 1.00 0.00 C ATOM 343 C GLU A 24 -3.890 -8.573 3.270 1.00 0.00 C ATOM 344 O GLU A 24 -4.161 -9.749 3.026 1.00 0.00 O ATOM 345 CB GLU A 24 -2.655 -8.410 5.440 1.00 0.00 C ATOM 346 CG GLU A 24 -2.495 -7.701 6.774 1.00 0.00 C ATOM 347 CD GLU A 24 -1.047 -7.605 7.214 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.187 -7.302 6.360 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.773 -7.834 8.410 1.00 0.00 O ATOM 0 H GLU A 24 -4.912 -8.876 6.357 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.028 -6.952 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.640 -9.487 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.799 -8.174 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.916 -6.698 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.067 -8.232 7.534 1.00 0.00 H new ATOM 356 N ILE A 25 -3.541 -7.701 2.330 1.00 0.00 N ATOM 357 CA ILE A 25 -3.454 -8.085 0.927 1.00 0.00 C ATOM 358 C ILE A 25 -2.016 -8.013 0.425 1.00 0.00 C ATOM 359 O ILE A 25 -1.211 -7.229 0.928 1.00 0.00 O ATOM 360 CB ILE A 25 -4.339 -7.188 0.042 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.875 -5.732 0.127 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.798 -7.309 0.456 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.257 -4.904 -1.080 1.00 0.00 C ATOM 0 H ILE A 25 -3.314 -6.724 2.515 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.809 -9.113 0.859 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.246 -7.520 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.301 -5.275 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.791 -5.711 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.411 -6.669 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.122 -8.344 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.908 -7.001 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.896 -3.884 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.809 -5.337 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.342 -4.894 -1.186 1.00 0.00 H new ATOM 375 N SER A 26 -1.700 -8.836 -0.569 1.00 0.00 N ATOM 376 CA SER A 26 -0.358 -8.868 -1.138 1.00 0.00 C ATOM 377 C SER A 26 -0.278 -8.001 -2.391 1.00 0.00 C ATOM 378 O SER A 26 -1.213 -7.958 -3.191 1.00 0.00 O ATOM 379 CB SER A 26 0.043 -10.306 -1.473 1.00 0.00 C ATOM 380 OG SER A 26 -0.537 -10.726 -2.696 1.00 0.00 O ATOM 0 H SER A 26 -2.355 -9.490 -0.997 1.00 0.00 H new ATOM 0 HA SER A 26 0.334 -8.469 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.129 -10.378 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.273 -10.971 -0.670 1.00 0.00 H new ATOM 0 HG SER A 26 -0.264 -11.647 -2.888 1.00 0.00 H new ATOM 386 N PHE A 27 0.846 -7.311 -2.554 1.00 0.00 N ATOM 387 CA PHE A 27 1.049 -6.443 -3.708 1.00 0.00 C ATOM 388 C PHE A 27 2.497 -6.503 -4.185 1.00 0.00 C ATOM 389 O PHE A 27 3.370 -7.026 -3.492 1.00 0.00 O ATOM 390 CB PHE A 27 0.674 -5.001 -3.361 1.00 0.00 C ATOM 391 CG PHE A 27 1.128 -4.576 -1.994 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.368 -4.872 -0.874 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.315 -3.880 -1.829 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.783 -4.481 0.385 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.735 -3.487 -0.572 1.00 0.00 C ATOM 396 CZ PHE A 27 1.969 -3.789 0.536 1.00 0.00 C ATOM 0 H PHE A 27 1.630 -7.336 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 27 0.404 -6.795 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.109 -4.332 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.408 -4.890 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.559 -5.414 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.919 -3.642 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.181 -4.716 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.662 -2.944 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.296 -3.485 1.519 1.00 0.00 H new ATOM 406 N LEU A 28 2.745 -5.964 -5.374 1.00 0.00 N ATOM 407 CA LEU A 28 4.087 -5.955 -5.946 1.00 0.00 C ATOM 408 C LEU A 28 4.605 -4.529 -6.098 1.00 0.00 C ATOM 409 O LEU A 28 3.837 -3.568 -6.043 1.00 0.00 O ATOM 410 CB LEU A 28 4.089 -6.658 -7.304 1.00 0.00 C ATOM 411 CG LEU A 28 3.765 -8.153 -7.287 1.00 0.00 C ATOM 412 CD1 LEU A 28 4.938 -8.947 -6.734 1.00 0.00 C ATOM 413 CD2 LEU A 28 2.508 -8.417 -6.470 1.00 0.00 C ATOM 0 H LEU A 28 2.034 -5.527 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 28 4.748 -6.491 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.368 -6.158 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.071 -6.525 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 28 3.584 -8.478 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.689 -10.008 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.816 -8.783 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.151 -8.620 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.293 -9.485 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.661 -8.077 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.669 -7.878 -6.909 1.00 0.00 H new ATOM 425 N LYS A 29 5.913 -4.397 -6.292 1.00 0.00 N ATOM 426 CA LYS A 29 6.535 -3.089 -6.456 1.00 0.00 C ATOM 427 C LYS A 29 5.935 -2.347 -7.646 1.00 0.00 C ATOM 428 O LYS A 29 5.946 -2.845 -8.771 1.00 0.00 O ATOM 429 CB LYS A 29 8.046 -3.240 -6.645 1.00 0.00 C ATOM 430 CG LYS A 29 8.744 -1.945 -7.026 1.00 0.00 C ATOM 431 CD LYS A 29 10.245 -2.138 -7.156 1.00 0.00 C ATOM 432 CE LYS A 29 10.950 -0.829 -7.478 1.00 0.00 C ATOM 433 NZ LYS A 29 11.055 -0.603 -8.946 1.00 0.00 N ATOM 0 H LYS A 29 6.563 -5.181 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 29 6.344 -2.508 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.483 -3.620 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.234 -3.985 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.341 -1.577 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.538 -1.184 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.642 -2.547 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.453 -2.867 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.407 -0.002 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.948 -0.836 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.541 0.299 -9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.595 -1.379 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.102 -0.571 -9.361 1.00 0.00 H new ATOM 447 N GLY A 30 5.411 -1.151 -7.390 1.00 0.00 N ATOM 448 CA GLY A 30 4.815 -0.360 -8.450 1.00 0.00 C ATOM 449 C GLY A 30 3.301 -0.349 -8.384 1.00 0.00 C ATOM 450 O GLY A 30 2.657 0.569 -8.892 1.00 0.00 O ATOM 0 H GLY A 30 5.389 -0.717 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.186 0.663 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.131 -0.755 -9.415 1.00 0.00 H new ATOM 454 N ASP A 31 2.731 -1.373 -7.758 1.00 0.00 N ATOM 455 CA ASP A 31 1.282 -1.478 -7.628 1.00 0.00 C ATOM 456 C ASP A 31 0.705 -0.236 -6.957 1.00 0.00 C ATOM 457 O ASP A 31 1.239 0.248 -5.960 1.00 0.00 O ATOM 458 CB ASP A 31 0.910 -2.726 -6.826 1.00 0.00 C ATOM 459 CG ASP A 31 0.907 -3.981 -7.676 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.897 -4.208 -8.401 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.086 -4.737 -7.616 1.00 0.00 O ATOM 0 H ASP A 31 3.250 -2.142 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 31 0.857 -1.558 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.615 -2.849 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.076 -2.589 -6.383 1.00 0.00 H new ATOM 466 N MET A 32 -0.390 0.276 -7.511 1.00 0.00 N ATOM 467 CA MET A 32 -1.039 1.462 -6.966 1.00 0.00 C ATOM 468 C MET A 32 -2.287 1.083 -6.175 1.00 0.00 C ATOM 469 O MET A 32 -2.900 0.044 -6.423 1.00 0.00 O ATOM 470 CB MET A 32 -1.409 2.430 -8.091 1.00 0.00 C ATOM 471 CG MET A 32 -0.246 3.289 -8.561 1.00 0.00 C ATOM 472 SD MET A 32 -0.461 3.885 -10.249 1.00 0.00 S ATOM 473 CE MET A 32 -0.005 5.606 -10.061 1.00 0.00 C ATOM 0 H MET A 32 -0.846 -0.112 -8.337 1.00 0.00 H new ATOM 0 HA MET A 32 -0.337 1.952 -6.291 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.795 1.861 -8.937 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.215 3.080 -7.750 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.134 4.141 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.676 2.711 -8.498 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.087 6.111 -11.023 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.672 6.083 -9.342 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.022 5.673 -9.703 1.00 0.00 H new ATOM 483 N PHE A 33 -2.658 1.931 -5.221 1.00 0.00 N ATOM 484 CA PHE A 33 -3.832 1.684 -4.392 1.00 0.00 C ATOM 485 C PHE A 33 -4.662 2.954 -4.232 1.00 0.00 C ATOM 486 O PHE A 33 -4.350 3.990 -4.820 1.00 0.00 O ATOM 487 CB PHE A 33 -3.411 1.160 -3.018 1.00 0.00 C ATOM 488 CG PHE A 33 -2.293 0.158 -3.074 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.979 0.574 -3.213 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.557 -1.200 -2.989 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.051 -0.346 -3.266 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.530 -2.124 -3.041 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.225 -1.696 -3.179 1.00 0.00 C ATOM 0 H PHE A 33 -2.162 2.795 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.444 0.931 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.104 2.001 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.273 0.703 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.757 1.629 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.576 -1.540 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.071 -0.009 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.749 -3.180 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.579 -2.416 -3.219 1.00 0.00 H new ATOM 503 N ILE A 34 -5.720 2.865 -3.434 1.00 0.00 N ATOM 504 CA ILE A 34 -6.595 4.007 -3.196 1.00 0.00 C ATOM 505 C ILE A 34 -6.907 4.161 -1.712 1.00 0.00 C ATOM 506 O ILE A 34 -7.784 3.483 -1.177 1.00 0.00 O ATOM 507 CB ILE A 34 -7.917 3.875 -3.976 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.637 3.586 -5.452 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.748 5.141 -3.827 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.746 2.820 -6.138 1.00 0.00 C ATOM 0 H ILE A 34 -5.993 2.015 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.062 4.891 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.484 3.041 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.480 4.529 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.710 3.018 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.679 5.033 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.972 5.307 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.189 5.991 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.480 2.651 -7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.888 1.861 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.670 3.395 -6.088 1.00 0.00 H new ATOM 522 N VAL A 35 -6.183 5.059 -1.050 1.00 0.00 N ATOM 523 CA VAL A 35 -6.384 5.305 0.373 1.00 0.00 C ATOM 524 C VAL A 35 -7.804 5.781 0.653 1.00 0.00 C ATOM 525 O VAL A 35 -8.174 6.904 0.307 1.00 0.00 O ATOM 526 CB VAL A 35 -5.388 6.352 0.907 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.495 6.467 2.420 1.00 0.00 C ATOM 528 CG2 VAL A 35 -3.968 5.997 0.491 1.00 0.00 C ATOM 0 H VAL A 35 -5.452 5.628 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.214 4.358 0.885 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.638 7.320 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.784 7.211 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.506 6.770 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.271 5.502 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.278 6.747 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.704 5.019 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.904 5.970 -0.597 1.00 0.00 H new ATOM 538 N HIS A 36 -8.598 4.921 1.283 1.00 0.00 N ATOM 539 CA HIS A 36 -9.979 5.254 1.611 1.00 0.00 C ATOM 540 C HIS A 36 -10.110 5.644 3.080 1.00 0.00 C ATOM 541 O HIS A 36 -10.804 6.602 3.419 1.00 0.00 O ATOM 542 CB HIS A 36 -10.899 4.072 1.302 1.00 0.00 C ATOM 543 CG HIS A 36 -10.943 3.712 -0.152 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.530 4.514 -1.108 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.467 2.630 -0.810 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.415 3.939 -2.292 1.00 0.00 C ATOM 547 NE2 HIS A 36 -10.773 2.795 -2.139 1.00 0.00 N ATOM 0 H HIS A 36 -8.308 3.988 1.576 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.276 6.106 0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.567 3.205 1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.908 4.309 1.640 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.944 1.793 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.783 4.337 -3.226 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.542 2.140 -2.886 1.00 0.00 H new ATOM 555 N ASN A 37 -9.438 4.895 3.948 1.00 0.00 N ATOM 556 CA ASN A 37 -9.480 5.162 5.381 1.00 0.00 C ATOM 557 C ASN A 37 -8.071 5.303 5.950 1.00 0.00 C ATOM 558 O ASN A 37 -7.133 4.663 5.476 1.00 0.00 O ATOM 559 CB ASN A 37 -10.225 4.041 6.108 1.00 0.00 C ATOM 560 CG ASN A 37 -10.906 4.525 7.374 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.699 5.467 7.344 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.599 3.882 8.494 1.00 0.00 N ATOM 0 H ASN A 37 -8.858 4.099 3.684 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.011 6.102 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.971 3.611 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.524 3.245 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.026 4.163 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.936 3.107 8.472 1.00 0.00 H new ATOM 569 N GLU A 38 -7.932 6.145 6.969 1.00 0.00 N ATOM 570 CA GLU A 38 -6.637 6.370 7.602 1.00 0.00 C ATOM 571 C GLU A 38 -6.639 5.860 9.040 1.00 0.00 C ATOM 572 O GLU A 38 -7.220 6.482 9.931 1.00 0.00 O ATOM 573 CB GLU A 38 -6.284 7.858 7.577 1.00 0.00 C ATOM 574 CG GLU A 38 -6.361 8.479 6.192 1.00 0.00 C ATOM 575 CD GLU A 38 -6.355 9.995 6.232 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.302 10.575 6.570 1.00 0.00 O ATOM 577 OE2 GLU A 38 -7.403 10.601 5.925 1.00 0.00 O ATOM 0 H GLU A 38 -8.699 6.682 7.374 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.885 5.817 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.959 8.394 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.276 7.990 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.518 8.132 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.268 8.136 5.694 1.00 0.00 H new ATOM 584 N LEU A 39 -5.985 4.724 9.260 1.00 0.00 N ATOM 585 CA LEU A 39 -5.911 4.129 10.590 1.00 0.00 C ATOM 586 C LEU A 39 -4.945 4.905 11.480 1.00 0.00 C ATOM 587 O LEU A 39 -4.404 5.933 11.076 1.00 0.00 O ATOM 588 CB LEU A 39 -5.471 2.668 10.492 1.00 0.00 C ATOM 589 CG LEU A 39 -6.483 1.702 9.875 1.00 0.00 C ATOM 590 CD1 LEU A 39 -7.870 1.944 10.449 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.499 1.841 8.360 1.00 0.00 C ATOM 0 H LEU A 39 -5.499 4.197 8.535 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.904 4.174 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.553 2.624 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.226 2.315 11.494 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.182 0.684 10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.577 1.247 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.849 1.792 11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.180 2.966 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.225 1.146 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.775 2.861 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.509 1.616 7.964 1.00 0.00 H new ATOM 603 N GLU A 40 -4.734 4.403 12.693 1.00 0.00 N ATOM 604 CA GLU A 40 -3.832 5.049 13.639 1.00 0.00 C ATOM 605 C GLU A 40 -2.625 4.162 13.932 1.00 0.00 C ATOM 606 O GLU A 40 -1.528 4.656 14.198 1.00 0.00 O ATOM 607 CB GLU A 40 -4.568 5.372 14.941 1.00 0.00 C ATOM 608 CG GLU A 40 -5.358 4.201 15.500 1.00 0.00 C ATOM 609 CD GLU A 40 -6.704 4.028 14.822 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.550 4.938 14.942 1.00 0.00 O ATOM 611 OE2 GLU A 40 -6.910 2.982 14.172 1.00 0.00 O ATOM 0 H GLU A 40 -5.175 3.552 13.043 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.479 5.977 13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.843 5.699 15.686 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.246 6.207 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.776 3.287 15.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.510 4.348 16.569 1.00 0.00 H new ATOM 618 N ASP A 41 -2.835 2.851 13.882 1.00 0.00 N ATOM 619 CA ASP A 41 -1.765 1.895 14.141 1.00 0.00 C ATOM 620 C ASP A 41 -0.664 2.014 13.092 1.00 0.00 C ATOM 621 O ASP A 41 0.401 1.412 13.224 1.00 0.00 O ATOM 622 CB ASP A 41 -2.319 0.469 14.157 1.00 0.00 C ATOM 623 CG ASP A 41 -1.504 -0.459 15.035 1.00 0.00 C ATOM 624 OD1 ASP A 41 -0.394 -0.848 14.617 1.00 0.00 O ATOM 625 OD2 ASP A 41 -1.976 -0.797 16.141 1.00 0.00 O ATOM 0 H ASP A 41 -3.736 2.426 13.664 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.337 2.122 15.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.350 0.487 14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.338 0.078 13.140 1.00 0.00 H new ATOM 630 N GLY A 42 -0.928 2.796 12.049 1.00 0.00 N ATOM 631 CA GLY A 42 0.049 2.979 10.992 1.00 0.00 C ATOM 632 C GLY A 42 -0.344 2.273 9.710 1.00 0.00 C ATOM 633 O GLY A 42 0.516 1.818 8.955 1.00 0.00 O ATOM 0 H GLY A 42 -1.802 3.306 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.170 4.044 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.016 2.605 11.327 1.00 0.00 H new ATOM 637 N TRP A 43 -1.646 2.179 9.464 1.00 0.00 N ATOM 638 CA TRP A 43 -2.151 1.521 8.264 1.00 0.00 C ATOM 639 C TRP A 43 -3.202 2.382 7.573 1.00 0.00 C ATOM 640 O TRP A 43 -3.570 3.446 8.070 1.00 0.00 O ATOM 641 CB TRP A 43 -2.745 0.156 8.618 1.00 0.00 C ATOM 642 CG TRP A 43 -1.835 -0.688 9.459 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.392 -0.408 10.720 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.257 -1.946 9.098 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.573 -1.418 11.165 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.474 -2.374 10.189 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.325 -2.755 7.960 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.234 -3.572 10.172 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.622 -3.944 7.945 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.149 -4.344 9.045 1.00 0.00 C ATOM 0 H TRP A 43 -2.371 2.550 10.079 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.316 1.380 7.578 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.685 0.304 9.149 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.979 -0.380 7.698 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.648 0.477 11.284 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.113 -1.450 12.075 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.917 -2.456 7.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.829 -3.882 11.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.667 -4.576 7.071 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.687 -5.280 9.002 1.00 0.00 H new ATOM 661 N MET A 44 -3.680 1.916 6.424 1.00 0.00 N ATOM 662 CA MET A 44 -4.690 2.645 5.665 1.00 0.00 C ATOM 663 C MET A 44 -5.468 1.703 4.751 1.00 0.00 C ATOM 664 O MET A 44 -4.900 1.097 3.842 1.00 0.00 O ATOM 665 CB MET A 44 -4.036 3.753 4.838 1.00 0.00 C ATOM 666 CG MET A 44 -2.897 4.456 5.558 1.00 0.00 C ATOM 667 SD MET A 44 -2.095 5.706 4.534 1.00 0.00 S ATOM 668 CE MET A 44 -0.751 4.755 3.830 1.00 0.00 C ATOM 0 H MET A 44 -3.385 1.038 5.998 1.00 0.00 H new ATOM 0 HA MET A 44 -5.387 3.094 6.373 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.659 3.327 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.793 4.489 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.280 4.925 6.464 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.158 3.718 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.120 5.408 3.227 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.157 4.315 4.632 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.157 3.962 3.202 1.00 0.00 H new ATOM 678 N TRP A 45 -6.767 1.585 4.998 1.00 0.00 N ATOM 679 CA TRP A 45 -7.621 0.717 4.196 1.00 0.00 C ATOM 680 C TRP A 45 -7.597 1.132 2.729 1.00 0.00 C ATOM 681 O TRP A 45 -8.387 1.973 2.299 1.00 0.00 O ATOM 682 CB TRP A 45 -9.056 0.750 4.724 1.00 0.00 C ATOM 683 CG TRP A 45 -9.937 -0.301 4.118 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.867 -0.123 3.134 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.971 -1.691 4.458 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.477 -1.319 2.841 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.945 -2.296 3.640 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.273 -2.484 5.373 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.236 -3.656 3.711 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.564 -3.833 5.443 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.538 -4.408 4.616 1.00 0.00 C ATOM 0 H TRP A 45 -7.252 2.079 5.747 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.236 -0.300 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.040 0.621 5.806 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.486 1.732 4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.090 0.819 2.656 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.207 -1.457 2.142 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.520 -2.050 6.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.986 -4.101 3.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.031 -4.455 6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.742 -5.466 4.695 1.00 0.00 H new ATOM 702 N VAL A 46 -6.686 0.539 1.965 1.00 0.00 N ATOM 703 CA VAL A 46 -6.560 0.847 0.546 1.00 0.00 C ATOM 704 C VAL A 46 -7.070 -0.304 -0.314 1.00 0.00 C ATOM 705 O VAL A 46 -7.471 -1.348 0.201 1.00 0.00 O ATOM 706 CB VAL A 46 -5.098 1.149 0.164 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.544 2.275 1.023 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.244 -0.103 0.297 1.00 0.00 C ATOM 0 H VAL A 46 -6.024 -0.158 2.305 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.167 1.733 0.360 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.071 1.471 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.511 2.474 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.141 3.174 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.582 1.984 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.215 0.128 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.275 -0.457 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.630 -0.879 -0.365 1.00 0.00 H new ATOM 718 N THR A 47 -7.053 -0.106 -1.629 1.00 0.00 N ATOM 719 CA THR A 47 -7.515 -1.127 -2.561 1.00 0.00 C ATOM 720 C THR A 47 -6.570 -1.253 -3.750 1.00 0.00 C ATOM 721 O THR A 47 -6.359 -0.295 -4.492 1.00 0.00 O ATOM 722 CB THR A 47 -8.932 -0.816 -3.077 1.00 0.00 C ATOM 723 OG1 THR A 47 -9.767 -0.394 -1.993 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.544 -2.037 -3.748 1.00 0.00 C ATOM 0 H THR A 47 -6.724 0.752 -2.072 1.00 0.00 H new ATOM 0 HA THR A 47 -7.534 -2.070 -2.014 1.00 0.00 H new ATOM 0 HB THR A 47 -8.859 -0.015 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.666 -0.197 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.545 -1.793 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.922 -2.339 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.604 -2.855 -3.030 1.00 0.00 H new ATOM 732 N ASN A 48 -6.003 -2.443 -3.926 1.00 0.00 N ATOM 733 CA ASN A 48 -5.079 -2.694 -5.027 1.00 0.00 C ATOM 734 C ASN A 48 -5.775 -2.513 -6.372 1.00 0.00 C ATOM 735 O ASN A 48 -6.893 -2.989 -6.575 1.00 0.00 O ATOM 736 CB ASN A 48 -4.503 -4.108 -4.923 1.00 0.00 C ATOM 737 CG ASN A 48 -3.213 -4.264 -5.705 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.079 -3.746 -6.814 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.256 -4.983 -5.129 1.00 0.00 N ATOM 0 H ASN A 48 -6.167 -3.248 -3.321 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.265 -1.972 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.321 -4.347 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.237 -4.825 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.366 -5.124 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.411 -5.394 -4.208 1.00 0.00 H new ATOM 746 N LEU A 49 -5.106 -1.824 -7.290 1.00 0.00 N ATOM 747 CA LEU A 49 -5.659 -1.580 -8.618 1.00 0.00 C ATOM 748 C LEU A 49 -5.508 -2.812 -9.505 1.00 0.00 C ATOM 749 O LEU A 49 -6.179 -2.938 -10.529 1.00 0.00 O ATOM 750 CB LEU A 49 -4.966 -0.382 -9.268 1.00 0.00 C ATOM 751 CG LEU A 49 -5.409 0.997 -8.778 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.745 2.093 -9.596 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.924 1.124 -8.844 1.00 0.00 C ATOM 0 H LEU A 49 -4.180 -1.424 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.721 -1.362 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.892 -0.476 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.130 -0.433 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.099 1.109 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.072 3.067 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.662 2.014 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.024 1.984 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.222 2.111 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.256 0.991 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.381 0.361 -8.214 1.00 0.00 H new ATOM 765 N ARG A 50 -4.624 -3.720 -9.103 1.00 0.00 N ATOM 766 CA ARG A 50 -4.386 -4.942 -9.861 1.00 0.00 C ATOM 767 C ARG A 50 -5.348 -6.045 -9.429 1.00 0.00 C ATOM 768 O ARG A 50 -6.031 -6.649 -10.258 1.00 0.00 O ATOM 769 CB ARG A 50 -2.941 -5.410 -9.675 1.00 0.00 C ATOM 770 CG ARG A 50 -2.661 -6.776 -10.278 1.00 0.00 C ATOM 771 CD ARG A 50 -1.547 -7.496 -9.535 1.00 0.00 C ATOM 772 NE ARG A 50 -0.259 -6.828 -9.699 1.00 0.00 N ATOM 773 CZ ARG A 50 0.911 -7.442 -9.560 1.00 0.00 C ATOM 774 NH1 ARG A 50 0.954 -8.732 -9.255 1.00 0.00 N ATOM 775 NH2 ARG A 50 2.041 -6.766 -9.726 1.00 0.00 N ATOM 0 H ARG A 50 -4.061 -3.632 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.558 -4.725 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.270 -4.679 -10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.712 -5.438 -8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.568 -7.380 -10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.386 -6.662 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.795 -7.551 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.473 -8.521 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.257 -5.835 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.088 -9.255 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.853 -9.201 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.012 -5.774 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.938 -7.239 -9.619 1.00 0.00 H new ATOM 789 N THR A 51 -5.398 -6.304 -8.126 1.00 0.00 N ATOM 790 CA THR A 51 -6.275 -7.335 -7.584 1.00 0.00 C ATOM 791 C THR A 51 -7.682 -6.795 -7.356 1.00 0.00 C ATOM 792 O THR A 51 -8.641 -7.560 -7.254 1.00 0.00 O ATOM 793 CB THR A 51 -5.730 -7.894 -6.257 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.974 -6.964 -5.196 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.238 -8.175 -6.359 1.00 0.00 C ATOM 0 H THR A 51 -4.841 -5.814 -7.426 1.00 0.00 H new ATOM 0 HA THR A 51 -6.312 -8.138 -8.320 1.00 0.00 H new ATOM 0 HB THR A 51 -6.246 -8.830 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.626 -7.328 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.876 -8.569 -5.409 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.059 -8.906 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.709 -7.251 -6.594 1.00 0.00 H new ATOM 803 N ASP A 52 -7.799 -5.474 -7.278 1.00 0.00 N ATOM 804 CA ASP A 52 -9.090 -4.832 -7.064 1.00 0.00 C ATOM 805 C ASP A 52 -9.712 -5.288 -5.747 1.00 0.00 C ATOM 806 O ASP A 52 -10.932 -5.395 -5.631 1.00 0.00 O ATOM 807 CB ASP A 52 -10.037 -5.143 -8.224 1.00 0.00 C ATOM 808 CG ASP A 52 -9.470 -4.719 -9.564 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.375 -3.498 -9.809 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.120 -5.608 -10.368 1.00 0.00 O ATOM 0 H ASP A 52 -7.015 -4.827 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.929 -3.755 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.245 -6.213 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.988 -4.637 -8.059 1.00 0.00 H new ATOM 815 N GLU A 53 -8.863 -5.555 -4.759 1.00 0.00 N ATOM 816 CA GLU A 53 -9.330 -6.001 -3.452 1.00 0.00 C ATOM 817 C GLU A 53 -8.921 -5.014 -2.362 1.00 0.00 C ATOM 818 O GLU A 53 -8.012 -4.206 -2.552 1.00 0.00 O ATOM 819 CB GLU A 53 -8.773 -7.390 -3.133 1.00 0.00 C ATOM 820 CG GLU A 53 -9.328 -8.487 -4.025 1.00 0.00 C ATOM 821 CD GLU A 53 -9.213 -9.863 -3.397 1.00 0.00 C ATOM 822 OE1 GLU A 53 -9.687 -10.036 -2.255 1.00 0.00 O ATOM 823 OE2 GLU A 53 -8.649 -10.767 -4.049 1.00 0.00 O ATOM 0 H GLU A 53 -7.850 -5.470 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.418 -6.052 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.688 -7.368 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.995 -7.631 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.375 -8.278 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.796 -8.480 -4.977 1.00 0.00 H new ATOM 830 N GLN A 54 -9.598 -5.086 -1.221 1.00 0.00 N ATOM 831 CA GLN A 54 -9.306 -4.199 -0.102 1.00 0.00 C ATOM 832 C GLN A 54 -8.465 -4.911 0.952 1.00 0.00 C ATOM 833 O GLN A 54 -8.501 -6.136 1.067 1.00 0.00 O ATOM 834 CB GLN A 54 -10.605 -3.689 0.525 1.00 0.00 C ATOM 835 CG GLN A 54 -11.586 -3.119 -0.487 1.00 0.00 C ATOM 836 CD GLN A 54 -13.027 -3.237 -0.033 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.372 -2.850 1.084 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.879 -3.773 -0.899 1.00 0.00 N ATOM 0 H GLN A 54 -10.353 -5.750 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.737 -3.351 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.085 -4.507 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.367 -2.920 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.350 -2.070 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.465 -3.639 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.550 -4.080 -1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.862 -3.877 -0.649 1.00 0.00 H new ATOM 847 N GLY A 55 -7.706 -4.135 1.721 1.00 0.00 N ATOM 848 CA GLY A 55 -6.865 -4.710 2.755 1.00 0.00 C ATOM 849 C GLY A 55 -6.188 -3.653 3.605 1.00 0.00 C ATOM 850 O GLY A 55 -6.434 -2.458 3.436 1.00 0.00 O ATOM 0 H GLY A 55 -7.659 -3.119 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.469 -5.354 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.106 -5.341 2.293 1.00 0.00 H new ATOM 854 N LEU A 56 -5.334 -4.093 4.523 1.00 0.00 N ATOM 855 CA LEU A 56 -4.620 -3.176 5.404 1.00 0.00 C ATOM 856 C LEU A 56 -3.126 -3.176 5.095 1.00 0.00 C ATOM 857 O LEU A 56 -2.454 -4.199 5.230 1.00 0.00 O ATOM 858 CB LEU A 56 -4.849 -3.561 6.867 1.00 0.00 C ATOM 859 CG LEU A 56 -6.258 -3.323 7.411 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.586 -4.329 8.503 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.393 -1.901 7.936 1.00 0.00 C ATOM 0 H LEU A 56 -5.120 -5.078 4.676 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.008 -2.172 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.609 -4.618 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.144 -3.003 7.483 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.969 -3.458 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.593 -4.144 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.530 -5.339 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.870 -4.227 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.402 -1.749 8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.672 -1.739 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.202 -1.195 7.128 1.00 0.00 H new ATOM 873 N ILE A 57 -2.613 -2.022 4.681 1.00 0.00 N ATOM 874 CA ILE A 57 -1.199 -1.888 4.356 1.00 0.00 C ATOM 875 C ILE A 57 -0.509 -0.906 5.296 1.00 0.00 C ATOM 876 O ILE A 57 -1.163 -0.101 5.960 1.00 0.00 O ATOM 877 CB ILE A 57 -0.997 -1.419 2.903 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.445 0.036 2.747 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.761 -2.319 1.944 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.069 0.645 1.415 1.00 0.00 C ATOM 0 H ILE A 57 -3.156 -1.167 4.563 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.753 -2.875 4.476 1.00 0.00 H new ATOM 0 HB ILE A 57 0.064 -1.481 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.527 0.090 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.004 0.631 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.608 -1.974 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.399 -3.343 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.824 -2.286 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.418 1.677 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.015 0.624 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.532 0.074 0.610 1.00 0.00 H new ATOM 892 N VAL A 58 0.818 -0.975 5.347 1.00 0.00 N ATOM 893 CA VAL A 58 1.597 -0.089 6.203 1.00 0.00 C ATOM 894 C VAL A 58 2.128 1.106 5.420 1.00 0.00 C ATOM 895 O VAL A 58 2.464 0.988 4.242 1.00 0.00 O ATOM 896 CB VAL A 58 2.782 -0.833 6.849 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.852 -1.135 5.812 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.356 -0.021 8.000 1.00 0.00 C ATOM 0 H VAL A 58 1.375 -1.636 4.805 1.00 0.00 H new ATOM 0 HA VAL A 58 0.927 0.264 6.987 1.00 0.00 H new ATOM 0 HB VAL A 58 2.420 -1.781 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.681 -1.660 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.430 -1.759 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.214 -0.202 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.192 -0.561 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.703 0.943 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.585 0.138 8.753 1.00 0.00 H new ATOM 908 N GLU A 59 2.201 2.256 6.083 1.00 0.00 N ATOM 909 CA GLU A 59 2.691 3.473 5.447 1.00 0.00 C ATOM 910 C GLU A 59 4.209 3.436 5.299 1.00 0.00 C ATOM 911 O GLU A 59 4.810 4.344 4.723 1.00 0.00 O ATOM 912 CB GLU A 59 2.277 4.702 6.261 1.00 0.00 C ATOM 913 CG GLU A 59 3.067 4.874 7.547 1.00 0.00 C ATOM 914 CD GLU A 59 2.877 6.244 8.169 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.723 6.594 8.494 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.883 6.966 8.332 1.00 0.00 O ATOM 0 H GLU A 59 1.927 2.370 7.059 1.00 0.00 H new ATOM 0 HA GLU A 59 2.248 3.537 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.401 5.593 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.217 4.627 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.762 4.109 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.126 4.715 7.343 1.00 0.00 H new ATOM 923 N ASP A 60 4.823 2.381 5.822 1.00 0.00 N ATOM 924 CA ASP A 60 6.271 2.224 5.747 1.00 0.00 C ATOM 925 C ASP A 60 6.666 1.395 4.529 1.00 0.00 C ATOM 926 O ASP A 60 7.849 1.154 4.286 1.00 0.00 O ATOM 927 CB ASP A 60 6.800 1.564 7.022 1.00 0.00 C ATOM 928 CG ASP A 60 6.637 2.449 8.242 1.00 0.00 C ATOM 929 OD1 ASP A 60 5.662 3.229 8.284 1.00 0.00 O ATOM 930 OD2 ASP A 60 7.483 2.360 9.156 1.00 0.00 O ATOM 0 H ASP A 60 4.341 1.621 6.303 1.00 0.00 H new ATOM 0 HA ASP A 60 6.715 3.215 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.274 0.624 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.854 1.321 6.891 1.00 0.00 H new ATOM 935 N LEU A 61 5.669 0.959 3.768 1.00 0.00 N ATOM 936 CA LEU A 61 5.911 0.156 2.575 1.00 0.00 C ATOM 937 C LEU A 61 5.497 0.911 1.316 1.00 0.00 C ATOM 938 O LEU A 61 5.823 0.505 0.200 1.00 0.00 O ATOM 939 CB LEU A 61 5.149 -1.167 2.663 1.00 0.00 C ATOM 940 CG LEU A 61 5.704 -2.197 3.647 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.698 -3.315 3.874 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.025 -2.760 3.143 1.00 0.00 C ATOM 0 H LEU A 61 4.684 1.148 3.956 1.00 0.00 H new ATOM 0 HA LEU A 61 6.980 -0.050 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.117 -0.951 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.127 -1.617 1.671 1.00 0.00 H new ATOM 0 HG LEU A 61 5.885 -1.699 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.111 -4.039 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.777 -2.898 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.485 -3.810 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.405 -3.491 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.871 -3.241 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.747 -1.951 3.034 1.00 0.00 H new ATOM 954 N VAL A 62 4.779 2.014 1.503 1.00 0.00 N ATOM 955 CA VAL A 62 4.323 2.829 0.383 1.00 0.00 C ATOM 956 C VAL A 62 4.754 4.282 0.549 1.00 0.00 C ATOM 957 O VAL A 62 5.419 4.634 1.523 1.00 0.00 O ATOM 958 CB VAL A 62 2.791 2.773 0.236 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.317 1.332 0.121 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.118 3.473 1.406 1.00 0.00 C ATOM 0 H VAL A 62 4.501 2.364 2.420 1.00 0.00 H new ATOM 0 HA VAL A 62 4.782 2.418 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 62 2.512 3.295 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.232 1.313 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.773 0.868 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.606 0.781 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.036 3.424 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.402 2.982 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.433 4.516 1.436 1.00 0.00 H new ATOM 970 N GLU A 63 4.371 5.120 -0.409 1.00 0.00 N ATOM 971 CA GLU A 63 4.719 6.536 -0.368 1.00 0.00 C ATOM 972 C GLU A 63 3.698 7.369 -1.138 1.00 0.00 C ATOM 973 O GLU A 63 3.200 6.949 -2.181 1.00 0.00 O ATOM 974 CB GLU A 63 6.117 6.757 -0.949 1.00 0.00 C ATOM 975 CG GLU A 63 6.242 6.346 -2.407 1.00 0.00 C ATOM 976 CD GLU A 63 7.441 6.975 -3.089 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.549 6.918 -2.516 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.271 7.525 -4.198 1.00 0.00 O ATOM 0 H GLU A 63 3.820 4.844 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 63 4.712 6.856 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.379 7.811 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.840 6.194 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.321 5.261 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.335 6.631 -2.940 1.00 0.00 H new ATOM 985 N GLU A 64 3.393 8.552 -0.614 1.00 0.00 N ATOM 986 CA GLU A 64 2.431 9.444 -1.251 1.00 0.00 C ATOM 987 C GLU A 64 2.816 9.711 -2.703 1.00 0.00 C ATOM 988 O GLU A 64 3.973 10.002 -3.007 1.00 0.00 O ATOM 989 CB GLU A 64 2.341 10.765 -0.484 1.00 0.00 C ATOM 990 CG GLU A 64 3.594 11.617 -0.591 1.00 0.00 C ATOM 991 CD GLU A 64 3.462 12.943 0.134 1.00 0.00 C ATOM 992 OE1 GLU A 64 2.443 13.634 -0.074 1.00 0.00 O ATOM 993 OE2 GLU A 64 4.377 13.288 0.909 1.00 0.00 O ATOM 0 H GLU A 64 3.798 8.915 0.249 1.00 0.00 H new ATOM 0 HA GLU A 64 1.456 8.957 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.491 11.335 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.145 10.553 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.440 11.066 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.814 11.802 -1.642 1.00 0.00 H new ATOM 1000 N VAL A 65 1.837 9.609 -3.597 1.00 0.00 N ATOM 1001 CA VAL A 65 2.072 9.841 -5.017 1.00 0.00 C ATOM 1002 C VAL A 65 0.758 10.025 -5.768 1.00 0.00 C ATOM 1003 O VAL A 65 -0.210 9.303 -5.533 1.00 0.00 O ATOM 1004 CB VAL A 65 2.855 8.677 -5.653 1.00 0.00 C ATOM 1005 CG1 VAL A 65 2.008 7.414 -5.678 1.00 0.00 C ATOM 1006 CG2 VAL A 65 3.315 9.048 -7.055 1.00 0.00 C ATOM 0 H VAL A 65 0.874 9.367 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 65 2.663 10.753 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 65 3.738 8.481 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.578 6.603 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.733 7.140 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.105 7.593 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.867 8.214 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.447 9.272 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.961 9.924 -7.006 1.00 0.00 H new ATOM 1016 N SER A 66 0.733 10.998 -6.674 1.00 0.00 N ATOM 1017 CA SER A 66 -0.464 11.280 -7.459 1.00 0.00 C ATOM 1018 C SER A 66 -0.308 10.774 -8.889 1.00 0.00 C ATOM 1019 O SER A 66 -1.104 9.965 -9.364 1.00 0.00 O ATOM 1020 CB SER A 66 -0.751 12.783 -7.466 1.00 0.00 C ATOM 1021 OG SER A 66 -1.787 13.099 -8.380 1.00 0.00 O ATOM 0 H SER A 66 1.527 11.604 -6.882 1.00 0.00 H new ATOM 0 HA SER A 66 -1.303 10.759 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.034 13.107 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.154 13.328 -7.734 1.00 0.00 H new ATOM 0 HG SER A 66 -1.953 14.065 -8.365 1.00 0.00 H new ATOM 1027 N GLY A 67 0.726 11.257 -9.572 1.00 0.00 N ATOM 1028 CA GLY A 67 0.969 10.842 -10.941 1.00 0.00 C ATOM 1029 C GLY A 67 2.296 10.127 -11.104 1.00 0.00 C ATOM 1030 O GLY A 67 3.230 10.322 -10.326 1.00 0.00 O ATOM 0 H GLY A 67 1.399 11.928 -9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.163 10.184 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.949 11.716 -11.591 1.00 0.00 H new ATOM 1034 N PRO A 68 2.390 9.275 -12.135 1.00 0.00 N ATOM 1035 CA PRO A 68 3.607 8.509 -12.421 1.00 0.00 C ATOM 1036 C PRO A 68 4.744 9.394 -12.921 1.00 0.00 C ATOM 1037 O PRO A 68 5.839 8.910 -13.210 1.00 0.00 O ATOM 1038 CB PRO A 68 3.166 7.536 -13.517 1.00 0.00 C ATOM 1039 CG PRO A 68 2.014 8.210 -14.180 1.00 0.00 C ATOM 1040 CD PRO A 68 1.316 8.993 -13.103 1.00 0.00 C ATOM 0 HA PRO A 68 3.998 8.019 -11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.973 7.344 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.874 6.573 -13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.354 8.866 -14.981 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.341 7.480 -14.630 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.877 9.911 -13.494 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.507 8.420 -12.650 1.00 0.00 H new ATOM 1048 N SER A 69 4.478 10.693 -13.019 1.00 0.00 N ATOM 1049 CA SER A 69 5.479 11.644 -13.488 1.00 0.00 C ATOM 1050 C SER A 69 6.080 12.419 -12.319 1.00 0.00 C ATOM 1051 O SER A 69 5.558 13.458 -11.914 1.00 0.00 O ATOM 1052 CB SER A 69 4.858 12.616 -14.493 1.00 0.00 C ATOM 1053 OG SER A 69 3.706 13.242 -13.953 1.00 0.00 O ATOM 0 H SER A 69 3.579 11.110 -12.780 1.00 0.00 H new ATOM 0 HA SER A 69 6.275 11.084 -13.979 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.591 13.374 -14.771 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.591 12.081 -15.404 1.00 0.00 H new ATOM 0 HG SER A 69 3.909 13.583 -13.057 1.00 0.00 H new ATOM 1059 N SER A 70 7.182 11.906 -11.782 1.00 0.00 N ATOM 1060 CA SER A 70 7.854 12.547 -10.657 1.00 0.00 C ATOM 1061 C SER A 70 8.612 13.790 -11.113 1.00 0.00 C ATOM 1062 O SER A 70 9.527 13.707 -11.932 1.00 0.00 O ATOM 1063 CB SER A 70 8.817 11.566 -9.986 1.00 0.00 C ATOM 1064 OG SER A 70 9.668 10.953 -10.939 1.00 0.00 O ATOM 0 H SER A 70 7.629 11.049 -12.107 1.00 0.00 H new ATOM 0 HA SER A 70 7.094 12.850 -9.937 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.417 12.092 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.250 10.801 -9.455 1.00 0.00 H new ATOM 0 HG SER A 70 9.871 11.591 -11.655 1.00 0.00 H new ATOM 1070 N GLY A 71 8.223 14.943 -10.577 1.00 0.00 N ATOM 1071 CA GLY A 71 8.875 16.187 -10.940 1.00 0.00 C ATOM 1072 C GLY A 71 8.967 16.376 -12.441 1.00 0.00 C ATOM 1073 O GLY A 71 10.049 16.280 -13.020 1.00 0.00 O ATOM 0 H GLY A 71 7.468 15.037 -9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.326 17.022 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.877 16.207 -10.512 1.00 0.00 H new TER 1077 GLY A 71