USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.0271 USER MOD Single : A 3 SER OG : rot 36:sc= 1.05 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0092 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 26:sc= 0.0864 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.83! C(o=-5.8!,f=-5.6!) USER MOD Single : A 23 GLN : amide:sc= -0.725 K(o=-0.72,f=-1.5) USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00964 F(o=-1.1,f=-0.0096) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0646) USER MOD Single : A 39 GLN : amide:sc= -0.0429 K(o=-0.043,f=-1.4) USER MOD Single : A 41 SER OG : rot -52:sc= 0.568 USER MOD Single : A 42 ASN : amide:sc= 0.0756 X(o=0.076,f=-0.07) USER MOD Single : A 45 ASN : amide:sc=-0.00444 X(o=-0.0044,f=-0.16) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.039 F(o=-0.73,f=-0.039) USER MOD Single : A 57 ASN : amide:sc= 1.26 K(o=1.3,f=-0.015) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= -0.508 (180deg=-1.43) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 20:sc= 1.03 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.893 -5.421 -24.830 1.00 0.00 N ATOM 2 CA GLY A 1 19.158 -5.157 -25.490 1.00 0.00 C ATOM 3 C GLY A 1 19.048 -4.069 -26.540 1.00 0.00 C ATOM 4 O GLY A 1 18.437 -4.270 -27.590 1.00 0.00 O ATOM 0 H1 GLY A 1 18.021 -6.172 -24.122 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.559 -4.555 -24.360 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.191 -5.725 -25.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.899 -4.866 -24.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.519 -6.073 -25.957 1.00 0.00 H new ATOM 8 N SER A 2 19.640 -2.913 -26.257 1.00 0.00 N ATOM 9 CA SER A 2 19.601 -1.788 -27.184 1.00 0.00 C ATOM 10 C SER A 2 18.165 -1.461 -27.582 1.00 0.00 C ATOM 11 O SER A 2 17.879 -1.192 -28.748 1.00 0.00 O ATOM 12 CB SER A 2 20.430 -2.098 -28.431 1.00 0.00 C ATOM 13 OG SER A 2 20.781 -0.910 -29.119 1.00 0.00 O ATOM 0 H SER A 2 20.152 -2.731 -25.394 1.00 0.00 H new ATOM 0 HA SER A 2 20.026 -0.920 -26.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.333 -2.637 -28.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.864 -2.752 -29.094 1.00 0.00 H new ATOM 0 HG SER A 2 19.968 -0.416 -29.355 1.00 0.00 H new ATOM 19 N SER A 3 17.266 -1.487 -26.603 1.00 0.00 N ATOM 20 CA SER A 3 15.858 -1.198 -26.850 1.00 0.00 C ATOM 21 C SER A 3 15.124 -0.917 -25.543 1.00 0.00 C ATOM 22 O SER A 3 15.614 -1.238 -24.461 1.00 0.00 O ATOM 23 CB SER A 3 15.196 -2.368 -27.580 1.00 0.00 C ATOM 24 OG SER A 3 15.353 -2.248 -28.983 1.00 0.00 O ATOM 0 H SER A 3 17.488 -1.705 -25.632 1.00 0.00 H new ATOM 0 HA SER A 3 15.799 -0.308 -27.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.634 -3.307 -27.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.135 -2.403 -27.331 1.00 0.00 H new ATOM 0 HG SER A 3 16.234 -1.867 -29.182 1.00 0.00 H new ATOM 30 N GLY A 4 13.943 -0.315 -25.652 1.00 0.00 N ATOM 31 CA GLY A 4 13.159 0.000 -24.472 1.00 0.00 C ATOM 32 C GLY A 4 11.802 -0.675 -24.482 1.00 0.00 C ATOM 33 O GLY A 4 11.699 -1.881 -24.254 1.00 0.00 O ATOM 0 H GLY A 4 13.516 -0.040 -26.536 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.708 -0.307 -23.582 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.024 1.080 -24.406 1.00 0.00 H new ATOM 37 N SER A 5 10.757 0.103 -24.744 1.00 0.00 N ATOM 38 CA SER A 5 9.398 -0.425 -24.776 1.00 0.00 C ATOM 39 C SER A 5 8.752 -0.180 -26.136 1.00 0.00 C ATOM 40 O SER A 5 9.168 0.706 -26.882 1.00 0.00 O ATOM 41 CB SER A 5 8.553 0.215 -23.673 1.00 0.00 C ATOM 42 OG SER A 5 7.253 -0.348 -23.636 1.00 0.00 O ATOM 0 H SER A 5 10.825 1.102 -24.937 1.00 0.00 H new ATOM 0 HA SER A 5 9.448 -1.501 -24.606 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.041 0.075 -22.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.483 1.290 -23.841 1.00 0.00 H new ATOM 0 HG SER A 5 6.733 0.076 -22.922 1.00 0.00 H new ATOM 48 N SER A 6 7.731 -0.971 -26.451 1.00 0.00 N ATOM 49 CA SER A 6 7.029 -0.843 -27.722 1.00 0.00 C ATOM 50 C SER A 6 5.608 -0.330 -27.508 1.00 0.00 C ATOM 51 O SER A 6 4.674 -1.110 -27.331 1.00 0.00 O ATOM 52 CB SER A 6 6.993 -2.190 -28.447 1.00 0.00 C ATOM 53 OG SER A 6 8.297 -2.612 -28.804 1.00 0.00 O ATOM 0 H SER A 6 7.372 -1.707 -25.843 1.00 0.00 H new ATOM 0 HA SER A 6 7.569 -0.122 -28.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.528 -2.939 -27.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.376 -2.108 -29.342 1.00 0.00 H new ATOM 0 HG SER A 6 8.247 -3.476 -29.264 1.00 0.00 H new ATOM 59 N GLY A 7 5.454 0.991 -27.526 1.00 0.00 N ATOM 60 CA GLY A 7 4.145 1.588 -27.333 1.00 0.00 C ATOM 61 C GLY A 7 3.620 1.391 -25.925 1.00 0.00 C ATOM 62 O GLY A 7 4.387 1.110 -25.003 1.00 0.00 O ATOM 0 H GLY A 7 6.212 1.658 -27.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.200 2.655 -27.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.442 1.153 -28.044 1.00 0.00 H new ATOM 66 N ARG A 8 2.310 1.540 -25.756 1.00 0.00 N ATOM 67 CA ARG A 8 1.685 1.380 -24.449 1.00 0.00 C ATOM 68 C ARG A 8 1.372 -0.087 -24.173 1.00 0.00 C ATOM 69 O ARG A 8 0.490 -0.673 -24.801 1.00 0.00 O ATOM 70 CB ARG A 8 0.402 2.210 -24.369 1.00 0.00 C ATOM 71 CG ARG A 8 0.643 3.673 -24.032 1.00 0.00 C ATOM 72 CD ARG A 8 -0.571 4.528 -24.360 1.00 0.00 C ATOM 73 NE ARG A 8 -0.694 4.777 -25.794 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.843 5.069 -26.393 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.962 5.147 -25.686 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.874 5.283 -27.702 1.00 0.00 N ATOM 0 H ARG A 8 1.661 1.771 -26.508 1.00 0.00 H new ATOM 0 HA ARG A 8 2.386 1.733 -23.693 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.121 2.147 -25.323 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.255 1.776 -23.616 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.881 3.769 -22.973 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.507 4.038 -24.587 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.472 4.032 -24.000 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.498 5.479 -23.832 1.00 0.00 H new ATOM 0 HE ARG A 8 0.148 4.724 -26.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.942 4.983 -24.680 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.843 5.371 -26.149 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.015 5.223 -28.249 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.757 5.507 -28.161 1.00 0.00 H new ATOM 90 N SER A 9 2.100 -0.674 -23.229 1.00 0.00 N ATOM 91 CA SER A 9 1.904 -2.074 -22.871 1.00 0.00 C ATOM 92 C SER A 9 0.562 -2.274 -22.173 1.00 0.00 C ATOM 93 O SER A 9 -0.072 -1.313 -21.737 1.00 0.00 O ATOM 94 CB SER A 9 3.039 -2.556 -21.966 1.00 0.00 C ATOM 95 OG SER A 9 3.128 -3.971 -21.968 1.00 0.00 O ATOM 0 H SER A 9 2.832 -0.202 -22.698 1.00 0.00 H new ATOM 0 HA SER A 9 1.908 -2.661 -23.789 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.983 -2.129 -22.303 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.873 -2.200 -20.949 1.00 0.00 H new ATOM 0 HG SER A 9 3.862 -4.253 -21.383 1.00 0.00 H new ATOM 101 N SER A 10 0.135 -3.528 -22.072 1.00 0.00 N ATOM 102 CA SER A 10 -1.133 -3.855 -21.430 1.00 0.00 C ATOM 103 C SER A 10 -1.363 -2.978 -20.203 1.00 0.00 C ATOM 104 O SER A 10 -0.491 -2.853 -19.343 1.00 0.00 O ATOM 105 CB SER A 10 -1.160 -5.331 -21.028 1.00 0.00 C ATOM 106 OG SER A 10 -0.116 -5.631 -20.119 1.00 0.00 O ATOM 0 H SER A 10 0.648 -4.335 -22.427 1.00 0.00 H new ATOM 0 HA SER A 10 -1.933 -3.666 -22.145 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.122 -5.570 -20.574 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.063 -5.955 -21.916 1.00 0.00 H new ATOM 0 HG SER A 10 0.136 -4.819 -19.631 1.00 0.00 H new ATOM 112 N ARG A 11 -2.544 -2.372 -20.130 1.00 0.00 N ATOM 113 CA ARG A 11 -2.889 -1.505 -19.010 1.00 0.00 C ATOM 114 C ARG A 11 -3.472 -2.314 -17.856 1.00 0.00 C ATOM 115 O ARG A 11 -4.665 -2.621 -17.838 1.00 0.00 O ATOM 116 CB ARG A 11 -3.889 -0.436 -19.454 1.00 0.00 C ATOM 117 CG ARG A 11 -3.959 0.760 -18.519 1.00 0.00 C ATOM 118 CD ARG A 11 -4.908 0.506 -17.359 1.00 0.00 C ATOM 119 NE ARG A 11 -6.300 0.751 -17.726 1.00 0.00 N ATOM 120 CZ ARG A 11 -6.870 1.950 -17.687 1.00 0.00 C ATOM 121 NH1 ARG A 11 -6.171 3.008 -17.300 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.142 2.093 -18.038 1.00 0.00 N ATOM 0 H ARG A 11 -3.277 -2.466 -20.833 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.977 -1.018 -18.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.619 -0.091 -20.452 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.879 -0.886 -19.529 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.963 0.981 -18.134 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.288 1.638 -19.074 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.799 -0.524 -17.020 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.636 1.148 -16.521 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.865 -0.042 -18.029 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.193 2.902 -17.031 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.611 3.928 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.683 1.282 -18.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.579 3.014 -18.008 1.00 0.00 H new ATOM 136 N THR A 12 -2.624 -2.658 -16.892 1.00 0.00 N ATOM 137 CA THR A 12 -3.054 -3.433 -15.735 1.00 0.00 C ATOM 138 C THR A 12 -3.454 -2.522 -14.581 1.00 0.00 C ATOM 139 O THR A 12 -2.610 -1.854 -13.983 1.00 0.00 O ATOM 140 CB THR A 12 -1.946 -4.391 -15.258 1.00 0.00 C ATOM 141 OG1 THR A 12 -1.507 -5.214 -16.344 1.00 0.00 O ATOM 142 CG2 THR A 12 -2.443 -5.269 -14.119 1.00 0.00 C ATOM 0 H THR A 12 -1.634 -2.412 -16.890 1.00 0.00 H new ATOM 0 HA THR A 12 -3.919 -4.017 -16.049 1.00 0.00 H new ATOM 0 HB THR A 12 -1.110 -3.792 -14.897 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.802 -5.818 -16.032 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.643 -5.937 -13.799 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.748 -4.641 -13.282 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.294 -5.859 -14.459 1.00 0.00 H new ATOM 150 N ARG A 13 -4.747 -2.500 -14.272 1.00 0.00 N ATOM 151 CA ARG A 13 -5.259 -1.669 -13.189 1.00 0.00 C ATOM 152 C ARG A 13 -5.771 -2.531 -12.039 1.00 0.00 C ATOM 153 O ARG A 13 -6.507 -3.495 -12.251 1.00 0.00 O ATOM 154 CB ARG A 13 -6.381 -0.763 -13.699 1.00 0.00 C ATOM 155 CG ARG A 13 -6.577 0.493 -12.865 1.00 0.00 C ATOM 156 CD ARG A 13 -5.697 1.631 -13.358 1.00 0.00 C ATOM 157 NE ARG A 13 -5.524 2.668 -12.344 1.00 0.00 N ATOM 158 CZ ARG A 13 -5.216 3.928 -12.626 1.00 0.00 C ATOM 159 NH1 ARG A 13 -5.047 4.307 -13.886 1.00 0.00 N ATOM 160 NH2 ARG A 13 -5.076 4.814 -11.648 1.00 0.00 N ATOM 0 H ARG A 13 -5.458 -3.048 -14.756 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.440 -1.050 -12.821 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.165 -0.476 -14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.313 -1.327 -13.715 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.623 0.797 -12.904 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.346 0.278 -11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.722 1.237 -13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.139 2.069 -14.253 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.647 2.410 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.154 3.630 -14.641 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.810 5.276 -14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.205 4.527 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.839 5.782 -11.867 1.00 0.00 H new ATOM 174 N PHE A 14 -5.375 -2.178 -10.820 1.00 0.00 N ATOM 175 CA PHE A 14 -5.792 -2.920 -9.636 1.00 0.00 C ATOM 176 C PHE A 14 -6.958 -2.223 -8.940 1.00 0.00 C ATOM 177 O PHE A 14 -7.200 -1.033 -9.148 1.00 0.00 O ATOM 178 CB PHE A 14 -4.621 -3.071 -8.664 1.00 0.00 C ATOM 179 CG PHE A 14 -3.337 -3.477 -9.331 1.00 0.00 C ATOM 180 CD1 PHE A 14 -3.017 -4.816 -9.489 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.452 -2.520 -9.799 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.836 -5.192 -10.102 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.270 -2.890 -10.413 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.962 -4.228 -10.565 1.00 0.00 C ATOM 0 H PHE A 14 -4.766 -1.383 -10.627 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.120 -3.909 -9.955 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.468 -2.126 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.879 -3.813 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.697 -5.574 -9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.688 -1.473 -9.683 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.597 -6.239 -10.219 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.588 -2.134 -10.773 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.040 -4.520 -11.045 1.00 0.00 H new ATOM 194 N THR A 15 -7.679 -2.973 -8.112 1.00 0.00 N ATOM 195 CA THR A 15 -8.821 -2.429 -7.387 1.00 0.00 C ATOM 196 C THR A 15 -8.491 -2.232 -5.912 1.00 0.00 C ATOM 197 O THR A 15 -7.641 -2.929 -5.357 1.00 0.00 O ATOM 198 CB THR A 15 -10.052 -3.347 -7.508 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.106 -2.866 -6.666 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.701 -4.777 -7.125 1.00 0.00 C ATOM 0 H THR A 15 -7.492 -3.959 -7.927 1.00 0.00 H new ATOM 0 HA THR A 15 -9.052 -1.464 -7.837 1.00 0.00 H new ATOM 0 HB THR A 15 -10.384 -3.338 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.886 -3.454 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.586 -5.406 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.919 -5.150 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.346 -4.801 -6.095 1.00 0.00 H new ATOM 208 N ASP A 16 -9.169 -1.280 -5.281 1.00 0.00 N ATOM 209 CA ASP A 16 -8.950 -0.992 -3.868 1.00 0.00 C ATOM 210 C ASP A 16 -8.622 -2.268 -3.099 1.00 0.00 C ATOM 211 O ASP A 16 -7.708 -2.290 -2.274 1.00 0.00 O ATOM 212 CB ASP A 16 -10.184 -0.320 -3.265 1.00 0.00 C ATOM 213 CG ASP A 16 -10.201 1.178 -3.499 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.109 1.769 -3.638 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.305 1.758 -3.544 1.00 0.00 O ATOM 0 H ASP A 16 -9.876 -0.694 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.102 -0.312 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.082 -0.762 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.214 -0.518 -2.194 1.00 0.00 H new ATOM 220 N TYR A 17 -9.374 -3.328 -3.373 1.00 0.00 N ATOM 221 CA TYR A 17 -9.166 -4.606 -2.704 1.00 0.00 C ATOM 222 C TYR A 17 -7.729 -5.086 -2.880 1.00 0.00 C ATOM 223 O TYR A 17 -7.057 -5.435 -1.910 1.00 0.00 O ATOM 224 CB TYR A 17 -10.136 -5.655 -3.251 1.00 0.00 C ATOM 225 CG TYR A 17 -9.618 -7.072 -3.145 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.157 -7.576 -1.935 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.589 -7.907 -4.256 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.682 -8.869 -1.834 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.118 -9.202 -4.164 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.665 -9.678 -2.951 1.00 0.00 C ATOM 231 OH TYR A 17 -8.193 -10.967 -2.856 1.00 0.00 O ATOM 0 H TYR A 17 -10.133 -3.327 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.355 -4.465 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.080 -5.581 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.348 -5.432 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.170 -6.946 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.941 -7.537 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.326 -9.244 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.104 -9.838 -5.037 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.250 -11.402 -3.732 1.00 0.00 H new ATOM 241 N GLN A 18 -7.264 -5.098 -4.125 1.00 0.00 N ATOM 242 CA GLN A 18 -5.907 -5.535 -4.430 1.00 0.00 C ATOM 243 C GLN A 18 -4.885 -4.513 -3.943 1.00 0.00 C ATOM 244 O GLN A 18 -3.912 -4.862 -3.273 1.00 0.00 O ATOM 245 CB GLN A 18 -5.746 -5.759 -5.934 1.00 0.00 C ATOM 246 CG GLN A 18 -6.748 -6.744 -6.513 1.00 0.00 C ATOM 247 CD GLN A 18 -6.207 -7.487 -7.719 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.747 -6.876 -8.684 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.259 -8.813 -7.670 1.00 0.00 N ATOM 0 H GLN A 18 -7.807 -4.810 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.729 -6.476 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.850 -4.804 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.737 -6.120 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.030 -7.464 -5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.654 -6.209 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.649 -9.278 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.909 -9.366 -8.452 1.00 0.00 H new ATOM 258 N LEU A 19 -5.110 -3.249 -4.286 1.00 0.00 N ATOM 259 CA LEU A 19 -4.209 -2.175 -3.884 1.00 0.00 C ATOM 260 C LEU A 19 -4.035 -2.147 -2.369 1.00 0.00 C ATOM 261 O LEU A 19 -2.977 -1.774 -1.862 1.00 0.00 O ATOM 262 CB LEU A 19 -4.740 -0.826 -4.372 1.00 0.00 C ATOM 263 CG LEU A 19 -4.546 -0.527 -5.859 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.184 0.805 -6.223 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.067 -0.526 -6.214 1.00 0.00 C ATOM 0 H LEU A 19 -5.909 -2.943 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.237 -2.362 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.805 -0.775 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.255 -0.037 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.037 -1.311 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.036 1.001 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.252 0.768 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.722 1.601 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.948 -0.312 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.553 0.237 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.639 -1.503 -5.991 1.00 0.00 H new ATOM 277 N ARG A 20 -5.080 -2.546 -1.651 1.00 0.00 N ATOM 278 CA ARG A 20 -5.043 -2.568 -0.194 1.00 0.00 C ATOM 279 C ARG A 20 -4.010 -3.573 0.308 1.00 0.00 C ATOM 280 O ARG A 20 -3.212 -3.268 1.195 1.00 0.00 O ATOM 281 CB ARG A 20 -6.423 -2.916 0.367 1.00 0.00 C ATOM 282 CG ARG A 20 -6.536 -2.718 1.870 1.00 0.00 C ATOM 283 CD ARG A 20 -5.934 -3.887 2.634 1.00 0.00 C ATOM 284 NE ARG A 20 -6.350 -3.899 4.034 1.00 0.00 N ATOM 285 CZ ARG A 20 -5.874 -3.062 4.949 1.00 0.00 C ATOM 286 NH1 ARG A 20 -4.971 -2.151 4.613 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.301 -3.135 6.203 1.00 0.00 N ATOM 0 H ARG A 20 -5.963 -2.858 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.757 -1.575 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.174 -2.301 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.652 -3.954 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.029 -1.796 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.585 -2.604 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.232 -4.822 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.847 -3.834 2.579 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.044 -4.588 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.640 -2.092 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.607 -1.509 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.996 -3.834 6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.935 -2.492 6.905 1.00 0.00 H new ATOM 301 N VAL A 21 -4.030 -4.772 -0.265 1.00 0.00 N ATOM 302 CA VAL A 21 -3.095 -5.821 0.124 1.00 0.00 C ATOM 303 C VAL A 21 -1.686 -5.512 -0.370 1.00 0.00 C ATOM 304 O VAL A 21 -0.709 -5.688 0.359 1.00 0.00 O ATOM 305 CB VAL A 21 -3.531 -7.193 -0.426 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.496 -8.256 -0.089 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.898 -7.575 0.121 1.00 0.00 C ATOM 0 H VAL A 21 -4.684 -5.041 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.095 -5.858 1.213 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.606 -7.124 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.820 -9.218 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.538 -7.985 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.387 -8.327 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.191 -8.546 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.853 -7.628 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.631 -6.825 -0.176 1.00 0.00 H new ATOM 317 N LEU A 22 -1.588 -5.051 -1.612 1.00 0.00 N ATOM 318 CA LEU A 22 -0.298 -4.716 -2.204 1.00 0.00 C ATOM 319 C LEU A 22 0.359 -3.559 -1.460 1.00 0.00 C ATOM 320 O LEU A 22 1.547 -3.608 -1.142 1.00 0.00 O ATOM 321 CB LEU A 22 -0.471 -4.356 -3.681 1.00 0.00 C ATOM 322 CG LEU A 22 -0.929 -5.489 -4.600 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.379 -4.937 -5.943 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.186 -6.508 -4.786 1.00 0.00 C ATOM 0 H LEU A 22 -2.387 -4.901 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 22 0.349 -5.589 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.193 -3.542 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.479 -3.974 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.777 -5.990 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.701 -5.757 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.209 -4.246 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.550 -4.411 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.157 -7.307 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.054 -6.021 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.461 -6.927 -3.818 1.00 0.00 H new ATOM 336 N GLN A 23 -0.422 -2.520 -1.184 1.00 0.00 N ATOM 337 CA GLN A 23 0.084 -1.351 -0.475 1.00 0.00 C ATOM 338 C GLN A 23 0.335 -1.671 0.995 1.00 0.00 C ATOM 339 O GLN A 23 1.298 -1.187 1.591 1.00 0.00 O ATOM 340 CB GLN A 23 -0.903 -0.188 -0.594 1.00 0.00 C ATOM 341 CG GLN A 23 -0.284 1.168 -0.299 1.00 0.00 C ATOM 342 CD GLN A 23 0.909 1.471 -1.184 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.755 1.841 -2.348 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.108 1.315 -0.635 1.00 0.00 N ATOM 0 H GLN A 23 -1.408 -2.464 -1.441 1.00 0.00 H new ATOM 0 HA GLN A 23 1.031 -1.063 -0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.319 -0.177 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.734 -0.356 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.038 1.944 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.026 1.202 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.189 1.006 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.948 1.504 -1.182 1.00 0.00 H new ATOM 353 N ASP A 24 -0.537 -2.490 1.574 1.00 0.00 N ATOM 354 CA ASP A 24 -0.410 -2.876 2.974 1.00 0.00 C ATOM 355 C ASP A 24 0.868 -3.677 3.203 1.00 0.00 C ATOM 356 O ASP A 24 1.582 -3.460 4.182 1.00 0.00 O ATOM 357 CB ASP A 24 -1.625 -3.695 3.412 1.00 0.00 C ATOM 358 CG ASP A 24 -1.509 -4.184 4.842 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.378 -4.487 5.276 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.550 -4.264 5.528 1.00 0.00 O ATOM 0 H ASP A 24 -1.339 -2.899 1.095 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.360 -1.967 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.524 -3.088 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.742 -4.551 2.747 1.00 0.00 H new ATOM 365 N PHE A 25 1.150 -4.604 2.294 1.00 0.00 N ATOM 366 CA PHE A 25 2.341 -5.440 2.398 1.00 0.00 C ATOM 367 C PHE A 25 3.603 -4.620 2.151 1.00 0.00 C ATOM 368 O PHE A 25 4.670 -4.926 2.683 1.00 0.00 O ATOM 369 CB PHE A 25 2.267 -6.597 1.399 1.00 0.00 C ATOM 370 CG PHE A 25 3.310 -7.652 1.626 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.650 -7.381 1.398 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.952 -8.916 2.068 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.613 -8.350 1.607 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.911 -9.889 2.278 1.00 0.00 C ATOM 375 CZ PHE A 25 5.243 -9.606 2.046 1.00 0.00 C ATOM 0 H PHE A 25 0.570 -4.796 1.477 1.00 0.00 H new ATOM 0 HA PHE A 25 2.384 -5.845 3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.280 -7.055 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.375 -6.202 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.945 -6.401 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.912 -9.143 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.654 -8.125 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.619 -10.870 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.994 -10.366 2.208 1.00 0.00 H new ATOM 385 N PHE A 26 3.474 -3.576 1.339 1.00 0.00 N ATOM 386 CA PHE A 26 4.605 -2.712 1.019 1.00 0.00 C ATOM 387 C PHE A 26 4.975 -1.837 2.213 1.00 0.00 C ATOM 388 O PHE A 26 6.143 -1.750 2.594 1.00 0.00 O ATOM 389 CB PHE A 26 4.275 -1.832 -0.189 1.00 0.00 C ATOM 390 CG PHE A 26 5.381 -0.886 -0.561 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.522 0.327 0.094 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.280 -1.210 -1.564 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.538 1.200 -0.247 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.298 -0.341 -1.909 1.00 0.00 C ATOM 395 CZ PHE A 26 7.428 0.865 -1.249 1.00 0.00 C ATOM 0 H PHE A 26 2.598 -3.308 0.891 1.00 0.00 H new ATOM 0 HA PHE A 26 5.458 -3.346 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.051 -2.471 -1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.373 -1.258 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.830 0.593 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.184 -2.153 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.636 2.143 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.991 -0.605 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.224 1.545 -1.516 1.00 0.00 H new ATOM 405 N ASP A 27 3.974 -1.190 2.799 1.00 0.00 N ATOM 406 CA ASP A 27 4.193 -0.322 3.950 1.00 0.00 C ATOM 407 C ASP A 27 4.956 -1.058 5.047 1.00 0.00 C ATOM 408 O ASP A 27 5.731 -0.455 5.789 1.00 0.00 O ATOM 409 CB ASP A 27 2.857 0.187 4.493 1.00 0.00 C ATOM 410 CG ASP A 27 2.995 1.512 5.217 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.782 2.363 4.754 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.314 1.698 6.247 1.00 0.00 O ATOM 0 H ASP A 27 3.002 -1.250 2.496 1.00 0.00 H new ATOM 0 HA ASP A 27 4.791 0.529 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.152 0.298 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.438 -0.554 5.174 1.00 0.00 H new ATOM 417 N ALA A 28 4.729 -2.364 5.145 1.00 0.00 N ATOM 418 CA ALA A 28 5.396 -3.181 6.151 1.00 0.00 C ATOM 419 C ALA A 28 6.685 -3.783 5.603 1.00 0.00 C ATOM 420 O ALA A 28 7.698 -3.842 6.299 1.00 0.00 O ATOM 421 CB ALA A 28 4.464 -4.280 6.639 1.00 0.00 C ATOM 0 H ALA A 28 4.089 -2.878 4.540 1.00 0.00 H new ATOM 0 HA ALA A 28 5.655 -2.538 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.974 -4.883 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.572 -3.833 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.177 -4.913 5.799 1.00 0.00 H new ATOM 427 N ASN A 29 6.640 -4.229 4.352 1.00 0.00 N ATOM 428 CA ASN A 29 7.805 -4.828 3.711 1.00 0.00 C ATOM 429 C ASN A 29 7.788 -4.578 2.207 1.00 0.00 C ATOM 430 O ASN A 29 6.810 -4.889 1.526 1.00 0.00 O ATOM 431 CB ASN A 29 7.848 -6.333 3.989 1.00 0.00 C ATOM 432 CG ASN A 29 9.184 -6.950 3.620 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.151 -7.953 2.750 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.231 -6.530 4.111 1.00 0.00 N flip ATOM 0 H ASN A 29 5.809 -4.187 3.762 1.00 0.00 H new ATOM 0 HA ASN A 29 8.698 -4.362 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.648 -6.511 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.055 -6.827 3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.208 -5.757 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.122 -6.955 3.853 1.00 0.00 H new ATOM 441 N ALA A 30 8.876 -4.013 1.694 1.00 0.00 N ATOM 442 CA ALA A 30 8.987 -3.722 0.270 1.00 0.00 C ATOM 443 C ALA A 30 10.167 -4.463 -0.351 1.00 0.00 C ATOM 444 O ALA A 30 10.552 -4.193 -1.489 1.00 0.00 O ATOM 445 CB ALA A 30 9.125 -2.224 0.046 1.00 0.00 C ATOM 0 H ALA A 30 9.693 -3.748 2.244 1.00 0.00 H new ATOM 0 HA ALA A 30 8.076 -4.068 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.207 -2.022 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.248 -1.714 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.019 -1.861 0.554 1.00 0.00 H new ATOM 451 N TYR A 31 10.736 -5.396 0.403 1.00 0.00 N ATOM 452 CA TYR A 31 11.875 -6.173 -0.072 1.00 0.00 C ATOM 453 C TYR A 31 11.666 -7.661 0.190 1.00 0.00 C ATOM 454 O TYR A 31 12.580 -8.381 0.595 1.00 0.00 O ATOM 455 CB TYR A 31 13.161 -5.699 0.606 1.00 0.00 C ATOM 456 CG TYR A 31 13.215 -4.204 0.825 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.150 -3.323 -0.247 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.333 -3.673 2.103 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.200 -1.956 -0.053 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.382 -2.308 2.308 1.00 0.00 C ATOM 461 CZ TYR A 31 13.315 -1.453 1.227 1.00 0.00 C ATOM 462 OH TYR A 31 13.365 -0.093 1.426 1.00 0.00 O ATOM 0 H TYR A 31 10.427 -5.633 1.346 1.00 0.00 H new ATOM 0 HA TYR A 31 11.963 -6.021 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.262 -6.202 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.014 -6.000 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.059 -3.714 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.387 -4.339 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.149 -1.285 -0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.472 -1.912 3.309 1.00 0.00 H new ATOM 0 HH TYR A 31 13.445 0.095 2.385 1.00 0.00 H new ATOM 472 N PRO A 32 10.434 -8.136 -0.046 1.00 0.00 N ATOM 473 CA PRO A 32 10.075 -9.542 0.156 1.00 0.00 C ATOM 474 C PRO A 32 10.732 -10.461 -0.868 1.00 0.00 C ATOM 475 O PRO A 32 11.099 -10.028 -1.961 1.00 0.00 O ATOM 476 CB PRO A 32 8.554 -9.549 -0.017 1.00 0.00 C ATOM 477 CG PRO A 32 8.267 -8.372 -0.883 1.00 0.00 C ATOM 478 CD PRO A 32 9.297 -7.335 -0.529 1.00 0.00 C ATOM 0 HA PRO A 32 10.409 -9.912 1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.212 -10.474 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.046 -9.467 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.329 -8.639 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.259 -7.996 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.570 -6.729 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.932 -6.651 0.238 1.00 0.00 H new ATOM 486 N LYS A 33 10.876 -11.733 -0.509 1.00 0.00 N ATOM 487 CA LYS A 33 11.487 -12.714 -1.398 1.00 0.00 C ATOM 488 C LYS A 33 10.422 -13.478 -2.179 1.00 0.00 C ATOM 489 O LYS A 33 9.241 -13.439 -1.837 1.00 0.00 O ATOM 490 CB LYS A 33 12.347 -13.694 -0.595 1.00 0.00 C ATOM 491 CG LYS A 33 13.442 -13.020 0.214 1.00 0.00 C ATOM 492 CD LYS A 33 14.594 -13.970 0.491 1.00 0.00 C ATOM 493 CE LYS A 33 14.348 -14.794 1.746 1.00 0.00 C ATOM 494 NZ LYS A 33 14.534 -13.988 2.984 1.00 0.00 N ATOM 0 H LYS A 33 10.578 -12.108 0.391 1.00 0.00 H new ATOM 0 HA LYS A 33 12.120 -12.181 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.704 -14.260 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.801 -14.411 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.810 -12.148 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.030 -12.661 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.731 -14.635 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.517 -13.401 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.335 -15.196 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.029 -15.645 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.559 -14.620 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.429 -13.461 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.744 -13.319 3.085 1.00 0.00 H new ATOM 508 N ASP A 34 10.849 -14.172 -3.228 1.00 0.00 N ATOM 509 CA ASP A 34 9.932 -14.947 -4.056 1.00 0.00 C ATOM 510 C ASP A 34 8.913 -15.685 -3.194 1.00 0.00 C ATOM 511 O ASP A 34 7.714 -15.660 -3.474 1.00 0.00 O ATOM 512 CB ASP A 34 10.708 -15.945 -4.916 1.00 0.00 C ATOM 513 CG ASP A 34 11.565 -15.263 -5.965 1.00 0.00 C ATOM 514 OD1 ASP A 34 11.004 -14.799 -6.979 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.797 -15.193 -5.771 1.00 0.00 O ATOM 0 H ASP A 34 11.824 -14.214 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 34 9.397 -14.256 -4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.342 -16.557 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.006 -16.620 -5.407 1.00 0.00 H new ATOM 520 N ASP A 35 9.397 -16.341 -2.145 1.00 0.00 N ATOM 521 CA ASP A 35 8.528 -17.086 -1.242 1.00 0.00 C ATOM 522 C ASP A 35 7.382 -16.211 -0.745 1.00 0.00 C ATOM 523 O ASP A 35 6.226 -16.632 -0.734 1.00 0.00 O ATOM 524 CB ASP A 35 9.330 -17.621 -0.054 1.00 0.00 C ATOM 525 CG ASP A 35 8.757 -18.912 0.497 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.738 -19.917 -0.244 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.328 -18.917 1.670 1.00 0.00 O ATOM 0 H ASP A 35 10.386 -16.372 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 35 8.106 -17.926 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.362 -17.787 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.350 -16.870 0.735 1.00 0.00 H new ATOM 532 N GLU A 36 7.712 -14.990 -0.333 1.00 0.00 N ATOM 533 CA GLU A 36 6.710 -14.057 0.167 1.00 0.00 C ATOM 534 C GLU A 36 5.774 -13.612 -0.953 1.00 0.00 C ATOM 535 O GLU A 36 4.552 -13.675 -0.818 1.00 0.00 O ATOM 536 CB GLU A 36 7.386 -12.837 0.797 1.00 0.00 C ATOM 537 CG GLU A 36 8.218 -13.168 2.024 1.00 0.00 C ATOM 538 CD GLU A 36 7.383 -13.264 3.287 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.661 -14.270 3.447 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.453 -12.331 4.115 1.00 0.00 O ATOM 0 H GLU A 36 8.664 -14.625 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 36 6.121 -14.570 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.025 -12.361 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.622 -12.110 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.736 -14.113 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.984 -12.403 2.156 1.00 0.00 H new ATOM 547 N PHE A 37 6.357 -13.161 -2.059 1.00 0.00 N ATOM 548 CA PHE A 37 5.576 -12.703 -3.202 1.00 0.00 C ATOM 549 C PHE A 37 4.476 -13.704 -3.546 1.00 0.00 C ATOM 550 O PHE A 37 3.390 -13.322 -3.979 1.00 0.00 O ATOM 551 CB PHE A 37 6.485 -12.491 -4.415 1.00 0.00 C ATOM 552 CG PHE A 37 7.058 -11.106 -4.500 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.351 -10.085 -5.114 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.304 -10.823 -3.964 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.876 -8.809 -5.194 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.835 -9.549 -4.040 1.00 0.00 C ATOM 557 CZ PHE A 37 8.119 -8.541 -4.655 1.00 0.00 C ATOM 0 H PHE A 37 7.367 -13.103 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 37 5.110 -11.755 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.302 -13.212 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.919 -12.698 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.378 -10.289 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.867 -11.608 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.315 -8.023 -5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.808 -9.342 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.531 -7.544 -4.714 1.00 0.00 H new ATOM 567 N GLU A 38 4.768 -14.986 -3.348 1.00 0.00 N ATOM 568 CA GLU A 38 3.804 -16.041 -3.638 1.00 0.00 C ATOM 569 C GLU A 38 2.547 -15.877 -2.790 1.00 0.00 C ATOM 570 O GLU A 38 1.430 -16.043 -3.280 1.00 0.00 O ATOM 571 CB GLU A 38 4.428 -17.415 -3.385 1.00 0.00 C ATOM 572 CG GLU A 38 5.201 -17.961 -4.574 1.00 0.00 C ATOM 573 CD GLU A 38 4.297 -18.576 -5.625 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.344 -19.288 -5.245 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.544 -18.346 -6.827 1.00 0.00 O ATOM 0 H GLU A 38 5.663 -15.318 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 38 3.525 -15.965 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.097 -17.348 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.640 -18.120 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.782 -17.157 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.911 -18.711 -4.227 1.00 0.00 H new ATOM 582 N GLN A 39 2.737 -15.552 -1.516 1.00 0.00 N ATOM 583 CA GLN A 39 1.619 -15.367 -0.599 1.00 0.00 C ATOM 584 C GLN A 39 0.601 -14.387 -1.173 1.00 0.00 C ATOM 585 O GLN A 39 -0.598 -14.666 -1.200 1.00 0.00 O ATOM 586 CB GLN A 39 2.120 -14.865 0.756 1.00 0.00 C ATOM 587 CG GLN A 39 3.043 -15.844 1.464 1.00 0.00 C ATOM 588 CD GLN A 39 3.082 -15.629 2.964 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.498 -14.676 3.482 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.772 -16.515 3.672 1.00 0.00 N ATOM 0 H GLN A 39 3.655 -15.411 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 39 1.131 -16.332 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.646 -13.921 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.263 -14.658 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.715 -16.862 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.051 -15.744 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.241 -17.290 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.833 -16.421 4.686 1.00 0.00 H new ATOM 599 N LEU A 40 1.086 -13.237 -1.629 1.00 0.00 N ATOM 600 CA LEU A 40 0.219 -12.214 -2.203 1.00 0.00 C ATOM 601 C LEU A 40 -0.306 -12.648 -3.568 1.00 0.00 C ATOM 602 O LEU A 40 -1.485 -12.471 -3.875 1.00 0.00 O ATOM 603 CB LEU A 40 0.974 -10.891 -2.332 1.00 0.00 C ATOM 604 CG LEU A 40 1.481 -10.277 -1.026 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.739 -9.459 -1.273 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.400 -9.417 -0.386 1.00 0.00 C ATOM 0 H LEU A 40 2.075 -12.990 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.631 -12.077 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.827 -11.046 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.320 -10.168 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 40 1.728 -11.086 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.085 -9.030 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.516 -10.102 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.519 -8.657 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.778 -8.988 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.121 -8.615 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.474 -10.031 -0.172 1.00 0.00 H new ATOM 618 N SER A 41 0.576 -13.220 -4.381 1.00 0.00 N ATOM 619 CA SER A 41 0.202 -13.678 -5.714 1.00 0.00 C ATOM 620 C SER A 41 -0.914 -14.716 -5.638 1.00 0.00 C ATOM 621 O SER A 41 -1.763 -14.797 -6.525 1.00 0.00 O ATOM 622 CB SER A 41 1.416 -14.269 -6.433 1.00 0.00 C ATOM 623 OG SER A 41 1.524 -15.661 -6.191 1.00 0.00 O ATOM 0 H SER A 41 1.555 -13.377 -4.140 1.00 0.00 H new ATOM 0 HA SER A 41 -0.162 -12.819 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.331 -14.088 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.323 -13.767 -6.096 1.00 0.00 H new ATOM 0 HG SER A 41 1.498 -15.828 -5.226 1.00 0.00 H new ATOM 629 N ASN A 42 -0.904 -15.509 -4.571 1.00 0.00 N ATOM 630 CA ASN A 42 -1.914 -16.544 -4.379 1.00 0.00 C ATOM 631 C ASN A 42 -3.199 -15.950 -3.810 1.00 0.00 C ATOM 632 O ASN A 42 -4.300 -16.401 -4.130 1.00 0.00 O ATOM 633 CB ASN A 42 -1.386 -17.634 -3.444 1.00 0.00 C ATOM 634 CG ASN A 42 -0.511 -18.640 -4.166 1.00 0.00 C ATOM 635 OD1 ASN A 42 -0.946 -19.286 -5.120 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.729 -18.779 -3.713 1.00 0.00 N ATOM 0 H ASN A 42 -0.208 -15.455 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.137 -16.985 -5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.815 -17.173 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.227 -18.152 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.363 -19.442 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.047 -18.223 -2.919 1.00 0.00 H new ATOM 643 N LEU A 43 -3.052 -14.935 -2.965 1.00 0.00 N ATOM 644 CA LEU A 43 -4.201 -14.278 -2.352 1.00 0.00 C ATOM 645 C LEU A 43 -4.976 -13.462 -3.382 1.00 0.00 C ATOM 646 O LEU A 43 -6.166 -13.693 -3.605 1.00 0.00 O ATOM 647 CB LEU A 43 -3.744 -13.372 -1.207 1.00 0.00 C ATOM 648 CG LEU A 43 -4.748 -12.315 -0.745 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.057 -12.968 -0.329 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.171 -11.495 0.399 1.00 0.00 C ATOM 0 H LEU A 43 -2.149 -14.549 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.861 -15.050 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.489 -14.000 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.829 -12.865 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.950 -11.644 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.759 -12.200 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.479 -13.510 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.873 -13.663 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.899 -10.748 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.939 -12.152 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.261 -10.996 0.066 1.00 0.00 H new ATOM 662 N LEU A 44 -4.295 -12.510 -4.009 1.00 0.00 N ATOM 663 CA LEU A 44 -4.919 -11.661 -5.018 1.00 0.00 C ATOM 664 C LEU A 44 -5.107 -12.420 -6.328 1.00 0.00 C ATOM 665 O LEU A 44 -5.803 -11.958 -7.230 1.00 0.00 O ATOM 666 CB LEU A 44 -4.070 -10.411 -5.258 1.00 0.00 C ATOM 667 CG LEU A 44 -3.744 -9.574 -4.020 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.685 -8.532 -4.344 1.00 0.00 C ATOM 669 CD2 LEU A 44 -5.002 -8.909 -3.480 1.00 0.00 C ATOM 0 H LEU A 44 -3.311 -12.306 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.900 -11.361 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.133 -10.716 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.589 -9.776 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.348 -10.237 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.466 -7.946 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.777 -9.030 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.052 -7.872 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.752 -8.318 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.427 -8.259 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.730 -9.674 -3.209 1.00 0.00 H new ATOM 681 N ASN A 45 -4.482 -13.590 -6.423 1.00 0.00 N ATOM 682 CA ASN A 45 -4.582 -14.415 -7.621 1.00 0.00 C ATOM 683 C ASN A 45 -3.944 -13.715 -8.818 1.00 0.00 C ATOM 684 O ASN A 45 -4.384 -13.882 -9.956 1.00 0.00 O ATOM 685 CB ASN A 45 -6.047 -14.734 -7.925 1.00 0.00 C ATOM 686 CG ASN A 45 -6.208 -16.022 -8.709 1.00 0.00 C ATOM 687 OD1 ASN A 45 -5.715 -17.074 -8.302 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.900 -15.944 -9.840 1.00 0.00 N ATOM 0 H ASN A 45 -3.901 -13.987 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.045 -15.345 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.601 -14.810 -6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.486 -13.911 -8.489 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.041 -16.778 -10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.291 -15.050 -10.138 1.00 0.00 H new ATOM 695 N LEU A 46 -2.903 -12.933 -8.552 1.00 0.00 N ATOM 696 CA LEU A 46 -2.203 -12.208 -9.607 1.00 0.00 C ATOM 697 C LEU A 46 -0.791 -12.753 -9.796 1.00 0.00 C ATOM 698 O LEU A 46 -0.185 -13.308 -8.879 1.00 0.00 O ATOM 699 CB LEU A 46 -2.145 -10.716 -9.276 1.00 0.00 C ATOM 700 CG LEU A 46 -3.491 -9.995 -9.191 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.324 -8.625 -8.554 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.116 -9.870 -10.573 1.00 0.00 C ATOM 0 H LEU A 46 -2.526 -12.785 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.755 -12.346 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.630 -10.595 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.537 -10.220 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.159 -10.585 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.292 -8.127 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.920 -8.738 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.640 -8.026 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.073 -9.355 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.451 -9.302 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.273 -10.864 -10.993 1.00 0.00 H new ATOM 714 N PRO A 47 -0.252 -12.591 -11.014 1.00 0.00 N ATOM 715 CA PRO A 47 1.096 -13.057 -11.351 1.00 0.00 C ATOM 716 C PRO A 47 2.182 -12.244 -10.654 1.00 0.00 C ATOM 717 O PRO A 47 2.183 -11.014 -10.707 1.00 0.00 O ATOM 718 CB PRO A 47 1.171 -12.859 -12.867 1.00 0.00 C ATOM 719 CG PRO A 47 0.192 -11.774 -13.156 1.00 0.00 C ATOM 720 CD PRO A 47 -0.917 -11.938 -12.154 1.00 0.00 C ATOM 0 HA PRO A 47 1.263 -14.086 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.177 -12.579 -13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.915 -13.775 -13.399 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.659 -10.793 -13.064 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.188 -11.852 -14.175 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.349 -10.978 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.729 -12.548 -12.549 1.00 0.00 H new ATOM 728 N THR A 48 3.109 -12.940 -10.002 1.00 0.00 N ATOM 729 CA THR A 48 4.200 -12.283 -9.294 1.00 0.00 C ATOM 730 C THR A 48 4.804 -11.163 -10.133 1.00 0.00 C ATOM 731 O THR A 48 5.108 -10.086 -9.621 1.00 0.00 O ATOM 732 CB THR A 48 5.309 -13.284 -8.918 1.00 0.00 C ATOM 733 OG1 THR A 48 5.475 -14.247 -9.965 1.00 0.00 O ATOM 734 CG2 THR A 48 4.978 -13.996 -7.616 1.00 0.00 C ATOM 0 H THR A 48 3.125 -13.959 -9.950 1.00 0.00 H new ATOM 0 HA THR A 48 3.777 -11.862 -8.382 1.00 0.00 H new ATOM 0 HB THR A 48 6.238 -12.729 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.183 -14.879 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.776 -14.697 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.881 -13.263 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.039 -14.539 -7.727 1.00 0.00 H new ATOM 742 N ARG A 49 4.976 -11.424 -11.425 1.00 0.00 N ATOM 743 CA ARG A 49 5.545 -10.438 -12.335 1.00 0.00 C ATOM 744 C ARG A 49 4.825 -9.098 -12.203 1.00 0.00 C ATOM 745 O ARG A 49 5.443 -8.038 -12.301 1.00 0.00 O ATOM 746 CB ARG A 49 5.459 -10.935 -13.779 1.00 0.00 C ATOM 747 CG ARG A 49 4.107 -10.691 -14.428 1.00 0.00 C ATOM 748 CD ARG A 49 4.064 -9.345 -15.135 1.00 0.00 C ATOM 749 NE ARG A 49 4.875 -9.339 -16.350 1.00 0.00 N ATOM 750 CZ ARG A 49 4.436 -9.766 -17.529 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.199 -10.230 -17.651 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.233 -9.729 -18.588 1.00 0.00 N ATOM 0 H ARG A 49 4.729 -12.311 -11.865 1.00 0.00 H new ATOM 0 HA ARG A 49 6.593 -10.297 -12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.231 -10.442 -14.370 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.675 -12.003 -13.800 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.897 -11.486 -15.143 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.325 -10.730 -13.669 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.032 -9.101 -15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.420 -8.568 -14.458 1.00 0.00 H new ATOM 0 HE ARG A 49 5.831 -8.988 -16.290 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.583 -10.259 -16.839 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.864 -10.557 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.184 -9.372 -18.498 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.895 -10.057 -19.493 1.00 0.00 H new ATOM 766 N VAL A 50 3.516 -9.155 -11.982 1.00 0.00 N ATOM 767 CA VAL A 50 2.712 -7.947 -11.837 1.00 0.00 C ATOM 768 C VAL A 50 2.944 -7.293 -10.479 1.00 0.00 C ATOM 769 O VAL A 50 3.034 -6.069 -10.377 1.00 0.00 O ATOM 770 CB VAL A 50 1.211 -8.250 -11.998 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.373 -7.129 -11.402 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.865 -8.462 -13.465 1.00 0.00 C ATOM 0 H VAL A 50 2.989 -10.025 -11.899 1.00 0.00 H new ATOM 0 HA VAL A 50 3.024 -7.262 -12.626 1.00 0.00 H new ATOM 0 HB VAL A 50 0.984 -9.169 -11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.685 -7.361 -11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.601 -7.029 -10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.601 -6.193 -11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.200 -8.675 -13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.107 -7.562 -14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.440 -9.301 -13.857 1.00 0.00 H new ATOM 782 N ILE A 51 3.041 -8.116 -9.441 1.00 0.00 N ATOM 783 CA ILE A 51 3.264 -7.616 -8.090 1.00 0.00 C ATOM 784 C ILE A 51 4.674 -7.055 -7.937 1.00 0.00 C ATOM 785 O ILE A 51 4.907 -6.139 -7.148 1.00 0.00 O ATOM 786 CB ILE A 51 3.047 -8.721 -7.038 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.730 -9.454 -7.302 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.058 -8.128 -5.637 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.560 -10.708 -6.473 1.00 0.00 C ATOM 0 H ILE A 51 2.969 -9.131 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 51 2.538 -6.820 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 51 3.863 -9.440 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.900 -8.778 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.675 -9.716 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.904 -8.921 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.019 -7.647 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.260 -7.391 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.605 -11.176 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.370 -11.403 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.583 -10.450 -5.414 1.00 0.00 H new ATOM 801 N VAL A 52 5.611 -7.609 -8.699 1.00 0.00 N ATOM 802 CA VAL A 52 6.998 -7.162 -8.651 1.00 0.00 C ATOM 803 C VAL A 52 7.145 -5.762 -9.236 1.00 0.00 C ATOM 804 O VAL A 52 7.692 -4.864 -8.596 1.00 0.00 O ATOM 805 CB VAL A 52 7.925 -8.126 -9.416 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.348 -7.588 -9.445 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.883 -9.513 -8.792 1.00 0.00 C ATOM 0 H VAL A 52 5.435 -8.368 -9.357 1.00 0.00 H new ATOM 0 HA VAL A 52 7.289 -7.146 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 52 7.571 -8.204 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.988 -8.282 -9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.360 -6.618 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.716 -7.478 -8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.544 -10.181 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.211 -9.455 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.864 -9.898 -8.829 1.00 0.00 H new ATOM 817 N VAL A 53 6.651 -5.582 -10.457 1.00 0.00 N ATOM 818 CA VAL A 53 6.725 -4.290 -11.129 1.00 0.00 C ATOM 819 C VAL A 53 6.109 -3.189 -10.273 1.00 0.00 C ATOM 820 O VAL A 53 6.613 -2.068 -10.229 1.00 0.00 O ATOM 821 CB VAL A 53 6.012 -4.325 -12.494 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.056 -2.956 -13.155 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.635 -5.381 -13.393 1.00 0.00 C ATOM 0 H VAL A 53 6.195 -6.315 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 53 7.782 -4.075 -11.286 1.00 0.00 H new ATOM 0 HB VAL A 53 4.967 -4.590 -12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.547 -3.000 -14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.559 -2.227 -12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.094 -2.658 -13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.119 -5.392 -14.353 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.689 -5.150 -13.550 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.545 -6.360 -12.921 1.00 0.00 H new ATOM 833 N TRP A 54 5.015 -3.518 -9.596 1.00 0.00 N ATOM 834 CA TRP A 54 4.329 -2.557 -8.740 1.00 0.00 C ATOM 835 C TRP A 54 5.166 -2.230 -7.508 1.00 0.00 C ATOM 836 O TRP A 54 5.330 -1.064 -7.149 1.00 0.00 O ATOM 837 CB TRP A 54 2.965 -3.104 -8.315 1.00 0.00 C ATOM 838 CG TRP A 54 2.152 -2.124 -7.525 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.090 -1.390 -7.973 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.336 -1.768 -6.150 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.603 -0.601 -6.959 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.349 -0.815 -5.831 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.236 -2.164 -5.157 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.241 -0.253 -4.562 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.127 -1.605 -3.898 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.135 -0.659 -3.609 1.00 0.00 C ATOM 0 H TRP A 54 4.584 -4.442 -9.623 1.00 0.00 H new ATOM 0 HA TRP A 54 4.183 -1.640 -9.310 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.406 -3.396 -9.204 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.112 -4.006 -7.721 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.692 -1.425 -8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.187 0.040 -7.034 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.003 -2.894 -5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.478 0.478 -4.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.818 -1.903 -3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.075 -0.242 -2.615 1.00 0.00 H new ATOM 857 N PHE A 55 5.692 -3.266 -6.864 1.00 0.00 N ATOM 858 CA PHE A 55 6.512 -3.088 -5.671 1.00 0.00 C ATOM 859 C PHE A 55 7.798 -2.335 -6.002 1.00 0.00 C ATOM 860 O PHE A 55 8.261 -1.505 -5.221 1.00 0.00 O ATOM 861 CB PHE A 55 6.848 -4.446 -5.050 1.00 0.00 C ATOM 862 CG PHE A 55 5.850 -4.898 -4.023 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.530 -5.129 -4.374 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.232 -5.092 -2.705 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.610 -5.546 -3.432 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.316 -5.510 -1.758 1.00 0.00 C ATOM 867 CZ PHE A 55 4.003 -5.736 -2.121 1.00 0.00 C ATOM 0 H PHE A 55 5.565 -4.238 -7.148 1.00 0.00 H new ATOM 0 HA PHE A 55 5.942 -2.499 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.908 -5.194 -5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.834 -4.392 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.216 -4.981 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.257 -4.915 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.584 -5.723 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.627 -5.660 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.285 -6.060 -1.382 1.00 0.00 H new ATOM 877 N GLN A 56 8.368 -2.634 -7.165 1.00 0.00 N ATOM 878 CA GLN A 56 9.601 -1.986 -7.598 1.00 0.00 C ATOM 879 C GLN A 56 9.423 -0.474 -7.676 1.00 0.00 C ATOM 880 O GLN A 56 10.181 0.282 -7.069 1.00 0.00 O ATOM 881 CB GLN A 56 10.036 -2.531 -8.960 1.00 0.00 C ATOM 882 CG GLN A 56 10.785 -3.852 -8.875 1.00 0.00 C ATOM 883 CD GLN A 56 11.786 -4.028 -10.000 1.00 0.00 C ATOM 884 OE1 GLN A 56 11.573 -5.044 -10.828 1.00 0.00 O flip ATOM 885 NE2 GLN A 56 12.740 -3.260 -10.124 1.00 0.00 N flip ATOM 0 H GLN A 56 7.997 -3.319 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 56 10.375 -2.205 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.155 -2.662 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.671 -1.794 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.305 -3.910 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.069 -4.674 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.866 -2.492 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.405 -3.392 -10.886 1.00 0.00 H new ATOM 894 N ASN A 57 8.417 -0.039 -8.428 1.00 0.00 N ATOM 895 CA ASN A 57 8.140 1.384 -8.586 1.00 0.00 C ATOM 896 C ASN A 57 7.884 2.042 -7.234 1.00 0.00 C ATOM 897 O ASN A 57 8.490 3.061 -6.903 1.00 0.00 O ATOM 898 CB ASN A 57 6.933 1.592 -9.503 1.00 0.00 C ATOM 899 CG ASN A 57 7.300 1.499 -10.972 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.626 2.502 -11.606 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.248 0.290 -11.519 1.00 0.00 N ATOM 0 H ASN A 57 7.780 -0.652 -8.937 1.00 0.00 H new ATOM 0 HA ASN A 57 9.016 1.850 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.173 0.845 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.492 2.568 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.484 0.165 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.972 -0.514 -10.955 1.00 0.00 H new ATOM 908 N ALA A 58 6.983 1.451 -6.455 1.00 0.00 N ATOM 909 CA ALA A 58 6.649 1.978 -5.138 1.00 0.00 C ATOM 910 C ALA A 58 7.907 2.351 -4.360 1.00 0.00 C ATOM 911 O ALA A 58 7.916 3.324 -3.606 1.00 0.00 O ATOM 912 CB ALA A 58 5.825 0.964 -4.358 1.00 0.00 C ATOM 0 H ALA A 58 6.472 0.607 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 58 6.057 2.883 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.582 1.370 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.904 0.750 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.398 0.044 -4.239 1.00 0.00 H new ATOM 918 N ARG A 59 8.966 1.571 -4.549 1.00 0.00 N ATOM 919 CA ARG A 59 10.229 1.818 -3.863 1.00 0.00 C ATOM 920 C ARG A 59 10.892 3.089 -4.386 1.00 0.00 C ATOM 921 O ARG A 59 11.411 3.893 -3.613 1.00 0.00 O ATOM 922 CB ARG A 59 11.173 0.628 -4.041 1.00 0.00 C ATOM 923 CG ARG A 59 10.725 -0.621 -3.300 1.00 0.00 C ATOM 924 CD ARG A 59 11.793 -1.702 -3.333 1.00 0.00 C ATOM 925 NE ARG A 59 12.107 -2.120 -4.697 1.00 0.00 N ATOM 926 CZ ARG A 59 12.619 -3.307 -5.003 1.00 0.00 C ATOM 927 NH1 ARG A 59 12.873 -4.189 -4.047 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.878 -3.613 -6.268 1.00 0.00 N ATOM 0 H ARG A 59 8.975 0.763 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 59 10.017 1.949 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.259 0.399 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.167 0.909 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.494 -0.368 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.807 -1.001 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.698 -1.333 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.454 -2.564 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 59 11.923 -1.464 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.675 -3.957 -3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.266 -5.100 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.684 -2.937 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.271 -4.525 -6.502 1.00 0.00 H new ATOM 942 N GLN A 60 10.869 3.263 -5.704 1.00 0.00 N ATOM 943 CA GLN A 60 11.469 4.435 -6.330 1.00 0.00 C ATOM 944 C GLN A 60 10.758 5.711 -5.890 1.00 0.00 C ATOM 945 O GLN A 60 11.393 6.737 -5.650 1.00 0.00 O ATOM 946 CB GLN A 60 11.418 4.308 -7.854 1.00 0.00 C ATOM 947 CG GLN A 60 12.208 3.126 -8.392 1.00 0.00 C ATOM 948 CD GLN A 60 11.912 2.843 -9.852 1.00 0.00 C ATOM 949 OE1 GLN A 60 11.565 3.746 -10.613 1.00 0.00 O ATOM 950 NE2 GLN A 60 12.048 1.584 -10.250 1.00 0.00 N ATOM 0 H GLN A 60 10.442 2.607 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 60 12.510 4.493 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.379 4.213 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.803 5.225 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.274 3.321 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.978 2.240 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.338 0.867 -9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.863 1.333 -11.221 1.00 0.00 H new ATOM 959 N LYS A 61 9.435 5.639 -5.787 1.00 0.00 N ATOM 960 CA LYS A 61 8.636 6.787 -5.376 1.00 0.00 C ATOM 961 C LYS A 61 8.967 7.195 -3.944 1.00 0.00 C ATOM 962 O LYS A 61 9.081 8.382 -3.637 1.00 0.00 O ATOM 963 CB LYS A 61 7.144 6.466 -5.494 1.00 0.00 C ATOM 964 CG LYS A 61 6.658 6.355 -6.928 1.00 0.00 C ATOM 965 CD LYS A 61 5.144 6.236 -6.996 1.00 0.00 C ATOM 966 CE LYS A 61 4.667 4.889 -6.476 1.00 0.00 C ATOM 967 NZ LYS A 61 4.402 4.922 -5.011 1.00 0.00 N ATOM 0 H LYS A 61 8.894 4.797 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 61 8.875 7.620 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.941 5.528 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.573 7.242 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.981 7.231 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.114 5.485 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.689 7.035 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.814 6.367 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.758 4.597 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.418 4.130 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.525 4.403 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.194 4.477 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.302 5.909 -4.698 1.00 0.00 H new ATOM 981 N ALA A 62 9.122 6.205 -3.072 1.00 0.00 N ATOM 982 CA ALA A 62 9.443 6.461 -1.673 1.00 0.00 C ATOM 983 C ALA A 62 10.728 7.272 -1.545 1.00 0.00 C ATOM 984 O ALA A 62 10.841 8.141 -0.681 1.00 0.00 O ATOM 985 CB ALA A 62 9.567 5.150 -0.911 1.00 0.00 C ATOM 0 H ALA A 62 9.030 5.217 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 62 8.630 7.044 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.807 5.357 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.624 4.607 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.360 4.546 -1.353 1.00 0.00 H new ATOM 991 N ARG A 63 11.694 6.982 -2.411 1.00 0.00 N ATOM 992 CA ARG A 63 12.972 7.684 -2.393 1.00 0.00 C ATOM 993 C ARG A 63 12.763 9.192 -2.293 1.00 0.00 C ATOM 994 O ARG A 63 12.138 9.802 -3.161 1.00 0.00 O ATOM 995 CB ARG A 63 13.778 7.352 -3.650 1.00 0.00 C ATOM 996 CG ARG A 63 14.124 5.878 -3.780 1.00 0.00 C ATOM 997 CD ARG A 63 15.284 5.496 -2.874 1.00 0.00 C ATOM 998 NE ARG A 63 16.035 4.357 -3.397 1.00 0.00 N ATOM 999 CZ ARG A 63 17.305 4.113 -3.094 1.00 0.00 C ATOM 1000 NH1 ARG A 63 17.963 4.922 -2.276 1.00 0.00 N ATOM 1001 NH2 ARG A 63 17.919 3.056 -3.610 1.00 0.00 N ATOM 0 H ARG A 63 11.616 6.266 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 63 13.527 7.353 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.211 7.662 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.700 7.934 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.251 5.275 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.380 5.653 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.952 6.350 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.904 5.255 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 63 15.558 3.714 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.494 5.735 -1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.938 4.731 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.416 2.431 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.894 2.869 -3.377 1.00 0.00 H new ATOM 1015 N LYS A 64 13.288 9.788 -1.228 1.00 0.00 N ATOM 1016 CA LYS A 64 13.160 11.224 -1.013 1.00 0.00 C ATOM 1017 C LYS A 64 14.230 11.988 -1.788 1.00 0.00 C ATOM 1018 O LYS A 64 15.273 11.433 -2.135 1.00 0.00 O ATOM 1019 CB LYS A 64 13.267 11.550 0.479 1.00 0.00 C ATOM 1020 CG LYS A 64 12.654 12.887 0.855 1.00 0.00 C ATOM 1021 CD LYS A 64 12.245 12.921 2.318 1.00 0.00 C ATOM 1022 CE LYS A 64 13.441 13.167 3.225 1.00 0.00 C ATOM 1023 NZ LYS A 64 13.030 13.377 4.641 1.00 0.00 N ATOM 0 H LYS A 64 13.807 9.298 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 64 12.180 11.534 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.777 10.762 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.318 11.547 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.370 13.685 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.783 13.078 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.503 13.705 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.771 11.977 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.122 12.318 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.990 14.040 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.874 13.541 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.401 14.203 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.528 12.534 4.986 1.00 0.00 H new ATOM 1037 N SER A 65 13.964 13.262 -2.056 1.00 0.00 N ATOM 1038 CA SER A 65 14.903 14.100 -2.792 1.00 0.00 C ATOM 1039 C SER A 65 14.591 15.579 -2.582 1.00 0.00 C ATOM 1040 O SER A 65 13.452 15.951 -2.303 1.00 0.00 O ATOM 1041 CB SER A 65 14.857 13.765 -4.284 1.00 0.00 C ATOM 1042 OG SER A 65 15.595 12.588 -4.565 1.00 0.00 O ATOM 0 H SER A 65 13.106 13.737 -1.775 1.00 0.00 H new ATOM 0 HA SER A 65 15.905 13.900 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.822 13.633 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.261 14.598 -4.860 1.00 0.00 H new ATOM 0 HG SER A 65 15.710 12.069 -3.741 1.00 0.00 H new ATOM 1048 N GLY A 66 15.613 16.418 -2.719 1.00 0.00 N ATOM 1049 CA GLY A 66 15.429 17.847 -2.541 1.00 0.00 C ATOM 1050 C GLY A 66 16.516 18.470 -1.689 1.00 0.00 C ATOM 1051 O GLY A 66 17.267 17.779 -1.000 1.00 0.00 O ATOM 0 H GLY A 66 16.565 16.134 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.414 18.332 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.459 18.030 -2.078 1.00 0.00 H new ATOM 1055 N PRO A 67 16.613 19.807 -1.730 1.00 0.00 N ATOM 1056 CA PRO A 67 17.614 20.552 -0.961 1.00 0.00 C ATOM 1057 C PRO A 67 17.337 20.520 0.538 1.00 0.00 C ATOM 1058 O PRO A 67 18.054 21.139 1.324 1.00 0.00 O ATOM 1059 CB PRO A 67 17.484 21.980 -1.499 1.00 0.00 C ATOM 1060 CG PRO A 67 16.087 22.065 -2.010 1.00 0.00 C ATOM 1061 CD PRO A 67 15.751 20.694 -2.528 1.00 0.00 C ATOM 0 HA PRO A 67 18.612 20.128 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.665 22.716 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.208 22.172 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.399 22.362 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.005 22.811 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.696 20.460 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.960 20.605 -3.594 1.00 0.00 H new ATOM 1069 N SER A 68 16.293 19.795 0.926 1.00 0.00 N ATOM 1070 CA SER A 68 15.920 19.685 2.332 1.00 0.00 C ATOM 1071 C SER A 68 17.127 19.313 3.187 1.00 0.00 C ATOM 1072 O SER A 68 17.434 18.134 3.369 1.00 0.00 O ATOM 1073 CB SER A 68 14.815 18.641 2.507 1.00 0.00 C ATOM 1074 OG SER A 68 14.133 18.822 3.736 1.00 0.00 O ATOM 0 H SER A 68 15.691 19.275 0.288 1.00 0.00 H new ATOM 0 HA SER A 68 15.549 20.656 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.108 18.713 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.246 17.641 2.471 1.00 0.00 H new ATOM 0 HG SER A 68 13.431 18.144 3.824 1.00 0.00 H new ATOM 1080 N SER A 69 17.808 20.327 3.711 1.00 0.00 N ATOM 1081 CA SER A 69 18.985 20.108 4.544 1.00 0.00 C ATOM 1082 C SER A 69 18.623 20.180 6.025 1.00 0.00 C ATOM 1083 O SER A 69 17.799 20.996 6.435 1.00 0.00 O ATOM 1084 CB SER A 69 20.064 21.143 4.221 1.00 0.00 C ATOM 1085 OG SER A 69 21.346 20.683 4.615 1.00 0.00 O ATOM 0 H SER A 69 17.565 21.308 3.574 1.00 0.00 H new ATOM 0 HA SER A 69 19.371 19.112 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.062 21.353 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.838 22.080 4.730 1.00 0.00 H new ATOM 0 HG SER A 69 22.018 21.362 4.396 1.00 0.00 H new ATOM 1091 N GLY A 70 19.245 19.317 6.822 1.00 0.00 N ATOM 1092 CA GLY A 70 18.976 19.298 8.248 1.00 0.00 C ATOM 1093 C GLY A 70 18.358 17.991 8.704 1.00 0.00 C ATOM 1094 O GLY A 70 19.058 17.102 9.188 1.00 0.00 O ATOM 0 H GLY A 70 19.930 18.631 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.905 19.466 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.306 20.120 8.499 1.00 0.00 H new TER 1098 GLY A 70