USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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+ -134:sc= 0.105 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -0.0978 K(o=-0.098,f=-0.71) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= -0.0102 (180deg=-0.873) USER MOD Single : A 25 SER OG : rot 41:sc= 1.08 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 31 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= -1.13 USER MOD Single : A 55 SER OG : rot -95:sc= 0.674 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.561! F(o=-1.8,f=-0.56!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 77 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-6.1!) USER MOD Single : A 79 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.29) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 96 GLN : amide:sc= -0.654 K(o=-0.65,f=-2.8!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0132 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 96:sc= 0.156 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 54:sc= 0.0589 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.755 24.087 -40.490 1.00 0.00 N ATOM 2 CA GLY A 1 -8.977 25.180 -39.559 1.00 0.00 C ATOM 3 C GLY A 1 -8.016 25.092 -38.372 1.00 0.00 C ATOM 4 O GLY A 1 -7.005 24.394 -38.437 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.731 24.458 -41.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.849 23.625 -40.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.526 23.395 -40.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.841 26.132 -40.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.006 25.154 -39.201 1.00 0.00 H new ATOM 8 N SER A 2 -8.363 25.812 -37.315 1.00 0.00 N ATOM 9 CA SER A 2 -7.543 25.824 -36.116 1.00 0.00 C ATOM 10 C SER A 2 -8.306 26.489 -34.968 1.00 0.00 C ATOM 11 O SER A 2 -8.996 27.487 -35.172 1.00 0.00 O ATOM 12 CB SER A 2 -6.218 26.548 -36.362 1.00 0.00 C ATOM 13 OG SER A 2 -6.389 27.960 -36.452 1.00 0.00 O ATOM 0 H SER A 2 -9.201 26.391 -37.264 1.00 0.00 H new ATOM 0 HA SER A 2 -7.317 24.793 -35.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.524 26.318 -35.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.768 26.178 -37.283 1.00 0.00 H new ATOM 0 HG SER A 2 -5.520 28.385 -36.608 1.00 0.00 H new ATOM 19 N SER A 3 -8.155 25.910 -33.786 1.00 0.00 N ATOM 20 CA SER A 3 -8.821 26.434 -32.605 1.00 0.00 C ATOM 21 C SER A 3 -8.070 25.999 -31.345 1.00 0.00 C ATOM 22 O SER A 3 -7.273 25.063 -31.385 1.00 0.00 O ATOM 23 CB SER A 3 -10.277 25.969 -32.542 1.00 0.00 C ATOM 24 OG SER A 3 -11.182 27.063 -32.429 1.00 0.00 O ATOM 0 H SER A 3 -7.581 25.083 -33.620 1.00 0.00 H new ATOM 0 HA SER A 3 -8.818 27.522 -32.665 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.513 25.394 -33.438 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.408 25.301 -31.691 1.00 0.00 H new ATOM 0 HG SER A 3 -12.101 26.725 -32.393 1.00 0.00 H new ATOM 30 N GLY A 4 -8.351 26.700 -30.256 1.00 0.00 N ATOM 31 CA GLY A 4 -7.712 26.398 -28.986 1.00 0.00 C ATOM 32 C GLY A 4 -8.372 27.171 -27.843 1.00 0.00 C ATOM 33 O GLY A 4 -9.572 27.439 -27.882 1.00 0.00 O ATOM 0 H GLY A 4 -9.012 27.476 -30.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.774 25.328 -28.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.653 26.652 -29.038 1.00 0.00 H new ATOM 37 N SER A 5 -7.560 27.507 -26.851 1.00 0.00 N ATOM 38 CA SER A 5 -8.051 28.243 -25.699 1.00 0.00 C ATOM 39 C SER A 5 -9.016 27.371 -24.893 1.00 0.00 C ATOM 40 O SER A 5 -10.102 27.039 -25.368 1.00 0.00 O ATOM 41 CB SER A 5 -8.738 29.541 -26.127 1.00 0.00 C ATOM 42 OG SER A 5 -7.880 30.670 -25.990 1.00 0.00 O ATOM 0 H SER A 5 -6.565 27.283 -26.822 1.00 0.00 H new ATOM 0 HA SER A 5 -7.199 28.505 -25.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.061 29.455 -27.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.634 29.692 -25.526 1.00 0.00 H new ATOM 0 HG SER A 5 -8.355 31.478 -26.275 1.00 0.00 H new ATOM 48 N SER A 6 -8.587 27.026 -23.689 1.00 0.00 N ATOM 49 CA SER A 6 -9.399 26.199 -22.813 1.00 0.00 C ATOM 50 C SER A 6 -8.752 26.109 -21.429 1.00 0.00 C ATOM 51 O SER A 6 -7.534 26.224 -21.301 1.00 0.00 O ATOM 52 CB SER A 6 -9.594 24.800 -23.400 1.00 0.00 C ATOM 53 OG SER A 6 -10.894 24.284 -23.131 1.00 0.00 O ATOM 0 H SER A 6 -7.687 27.304 -23.299 1.00 0.00 H new ATOM 0 HA SER A 6 -10.381 26.663 -22.718 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.433 24.834 -24.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.844 24.126 -22.987 1.00 0.00 H new ATOM 0 HG SER A 6 -10.979 23.390 -23.524 1.00 0.00 H new ATOM 59 N GLY A 7 -9.596 25.903 -20.429 1.00 0.00 N ATOM 60 CA GLY A 7 -9.122 25.796 -19.060 1.00 0.00 C ATOM 61 C GLY A 7 -9.013 24.332 -18.630 1.00 0.00 C ATOM 62 O GLY A 7 -9.946 23.554 -18.822 1.00 0.00 O ATOM 0 H GLY A 7 -10.605 25.807 -20.540 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.149 26.279 -18.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.803 26.325 -18.393 1.00 0.00 H new ATOM 66 N ARG A 8 -7.865 24.001 -18.057 1.00 0.00 N ATOM 67 CA ARG A 8 -7.622 22.644 -17.598 1.00 0.00 C ATOM 68 C ARG A 8 -6.947 22.660 -16.225 1.00 0.00 C ATOM 69 O ARG A 8 -6.340 23.658 -15.840 1.00 0.00 O ATOM 70 CB ARG A 8 -6.736 21.879 -18.585 1.00 0.00 C ATOM 71 CG ARG A 8 -7.513 21.518 -19.853 1.00 0.00 C ATOM 72 CD ARG A 8 -8.692 20.598 -19.530 1.00 0.00 C ATOM 73 NE ARG A 8 -8.757 19.495 -20.514 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.630 18.480 -20.447 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.516 18.422 -19.444 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.615 17.522 -21.384 1.00 0.00 N ATOM 0 H ARG A 8 -7.093 24.649 -17.900 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.586 22.141 -17.527 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.869 22.485 -18.846 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.360 20.971 -18.114 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.877 22.427 -20.332 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.848 21.027 -20.564 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.583 20.193 -18.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.622 21.166 -19.546 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.097 19.508 -21.291 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.527 19.151 -18.730 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.180 17.649 -19.394 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.940 17.566 -22.147 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.279 16.749 -21.334 1.00 0.00 H new ATOM 90 N PRO A 9 -7.078 21.513 -15.507 1.00 0.00 N ATOM 91 CA PRO A 9 -6.488 21.386 -14.185 1.00 0.00 C ATOM 92 C PRO A 9 -4.973 21.196 -14.277 1.00 0.00 C ATOM 93 O PRO A 9 -4.407 21.206 -15.369 1.00 0.00 O ATOM 94 CB PRO A 9 -7.198 20.202 -13.549 1.00 0.00 C ATOM 95 CG PRO A 9 -7.822 19.425 -14.697 1.00 0.00 C ATOM 96 CD PRO A 9 -7.789 20.311 -15.932 1.00 0.00 C ATOM 0 HA PRO A 9 -6.617 22.283 -13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.498 19.580 -12.991 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.959 20.536 -12.844 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.273 18.501 -14.876 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.847 19.145 -14.456 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.276 19.819 -16.759 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.796 20.547 -16.277 1.00 0.00 H new ATOM 104 N GLY A 10 -4.358 21.028 -13.115 1.00 0.00 N ATOM 105 CA GLY A 10 -2.919 20.836 -13.050 1.00 0.00 C ATOM 106 C GLY A 10 -2.575 19.477 -12.437 1.00 0.00 C ATOM 107 O GLY A 10 -2.477 19.350 -11.217 1.00 0.00 O ATOM 0 H GLY A 10 -4.830 21.021 -12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.494 20.906 -14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.469 21.631 -12.456 1.00 0.00 H new ATOM 111 N GLY A 11 -2.400 18.497 -13.311 1.00 0.00 N ATOM 112 CA GLY A 11 -2.068 17.153 -12.870 1.00 0.00 C ATOM 113 C GLY A 11 -3.041 16.673 -11.792 1.00 0.00 C ATOM 114 O GLY A 11 -2.778 16.827 -10.600 1.00 0.00 O ATOM 0 H GLY A 11 -2.482 18.607 -14.322 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.096 16.471 -13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.050 17.136 -12.480 1.00 0.00 H new ATOM 118 N ASP A 12 -4.146 16.101 -12.248 1.00 0.00 N ATOM 119 CA ASP A 12 -5.160 15.598 -11.338 1.00 0.00 C ATOM 120 C ASP A 12 -4.660 14.306 -10.688 1.00 0.00 C ATOM 121 O ASP A 12 -4.948 13.212 -11.171 1.00 0.00 O ATOM 122 CB ASP A 12 -6.459 15.282 -12.080 1.00 0.00 C ATOM 123 CG ASP A 12 -6.729 16.151 -13.310 1.00 0.00 C ATOM 124 OD1 ASP A 12 -5.803 16.259 -14.143 1.00 0.00 O ATOM 125 OD2 ASP A 12 -7.855 16.688 -13.390 1.00 0.00 O ATOM 0 H ASP A 12 -4.361 15.975 -13.237 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.351 16.366 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.438 14.237 -12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.292 15.392 -11.386 1.00 0.00 H new ATOM 130 N ALA A 13 -3.919 14.475 -9.602 1.00 0.00 N ATOM 131 CA ALA A 13 -3.377 13.336 -8.882 1.00 0.00 C ATOM 132 C ALA A 13 -4.349 12.929 -7.773 1.00 0.00 C ATOM 133 O ALA A 13 -4.043 13.073 -6.590 1.00 0.00 O ATOM 134 CB ALA A 13 -1.990 13.687 -8.341 1.00 0.00 C ATOM 0 H ALA A 13 -3.682 15.384 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.261 12.481 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.583 12.832 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.329 13.940 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.068 14.539 -7.666 1.00 0.00 H new ATOM 140 N ARG A 14 -5.502 12.429 -8.194 1.00 0.00 N ATOM 141 CA ARG A 14 -6.521 12.001 -7.251 1.00 0.00 C ATOM 142 C ARG A 14 -6.721 10.487 -7.338 1.00 0.00 C ATOM 143 O ARG A 14 -6.828 9.811 -6.315 1.00 0.00 O ATOM 144 CB ARG A 14 -7.853 12.701 -7.524 1.00 0.00 C ATOM 145 CG ARG A 14 -7.706 14.220 -7.419 1.00 0.00 C ATOM 146 CD ARG A 14 -7.309 14.828 -8.765 1.00 0.00 C ATOM 147 NE ARG A 14 -8.079 16.068 -9.008 1.00 0.00 N ATOM 148 CZ ARG A 14 -7.859 17.226 -8.370 1.00 0.00 C ATOM 149 NH1 ARG A 14 -6.892 17.309 -7.447 1.00 0.00 N ATOM 150 NH2 ARG A 14 -8.607 18.300 -8.655 1.00 0.00 N ATOM 0 H ARG A 14 -5.753 12.311 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.181 12.270 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.211 12.435 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.602 12.355 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.646 14.657 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.953 14.465 -6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.241 15.046 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.495 14.112 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.824 16.040 -9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.323 16.491 -7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.725 18.190 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.344 18.236 -9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.440 19.181 -8.170 1.00 0.00 H new ATOM 164 N GLU A 15 -6.766 9.997 -8.568 1.00 0.00 N ATOM 165 CA GLU A 15 -6.952 8.575 -8.802 1.00 0.00 C ATOM 166 C GLU A 15 -5.737 7.792 -8.299 1.00 0.00 C ATOM 167 O GLU A 15 -4.739 8.383 -7.891 1.00 0.00 O ATOM 168 CB GLU A 15 -7.213 8.292 -10.282 1.00 0.00 C ATOM 169 CG GLU A 15 -8.657 7.838 -10.507 1.00 0.00 C ATOM 170 CD GLU A 15 -8.853 7.323 -11.935 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.953 8.180 -12.839 1.00 0.00 O ATOM 172 OE2 GLU A 15 -8.900 6.083 -12.089 1.00 0.00 O ATOM 0 H GLU A 15 -6.677 10.560 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.829 8.246 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.015 9.189 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.527 7.522 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.910 7.052 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.337 8.669 -10.320 1.00 0.00 H new ATOM 179 N PRO A 16 -5.866 6.439 -8.348 1.00 0.00 N ATOM 180 CA PRO A 16 -4.791 5.568 -7.903 1.00 0.00 C ATOM 181 C PRO A 16 -3.655 5.532 -8.928 1.00 0.00 C ATOM 182 O PRO A 16 -3.902 5.458 -10.130 1.00 0.00 O ATOM 183 CB PRO A 16 -5.444 4.213 -7.691 1.00 0.00 C ATOM 184 CG PRO A 16 -6.752 4.255 -8.465 1.00 0.00 C ATOM 185 CD PRO A 16 -7.034 5.704 -8.825 1.00 0.00 C ATOM 0 HA PRO A 16 -4.321 5.916 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.802 3.409 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.623 4.027 -6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.683 3.645 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.564 3.846 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.167 5.826 -9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.947 6.060 -8.348 1.00 0.00 H new ATOM 193 N ARG A 17 -2.435 5.585 -8.414 1.00 0.00 N ATOM 194 CA ARG A 17 -1.261 5.559 -9.269 1.00 0.00 C ATOM 195 C ARG A 17 -0.472 4.267 -9.048 1.00 0.00 C ATOM 196 O ARG A 17 -0.371 3.782 -7.923 1.00 0.00 O ATOM 197 CB ARG A 17 -0.351 6.758 -8.993 1.00 0.00 C ATOM 198 CG ARG A 17 0.224 6.694 -7.577 1.00 0.00 C ATOM 199 CD ARG A 17 0.099 8.046 -6.872 1.00 0.00 C ATOM 200 NE ARG A 17 0.772 9.096 -7.669 1.00 0.00 N ATOM 201 CZ ARG A 17 0.555 10.410 -7.517 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.319 10.842 -6.598 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.211 11.291 -8.285 1.00 0.00 N ATOM 0 H ARG A 17 -2.234 5.646 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.603 5.608 -10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.462 6.777 -9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.913 7.683 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.300 5.930 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.272 6.398 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.953 8.299 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.544 7.990 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 17 1.443 8.801 -8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.819 10.171 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.485 11.842 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.875 10.962 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.046 12.291 -8.169 1.00 0.00 H new ATOM 217 N LYS A 18 0.067 3.746 -10.141 1.00 0.00 N ATOM 218 CA LYS A 18 0.844 2.520 -10.081 1.00 0.00 C ATOM 219 C LYS A 18 2.226 2.825 -9.500 1.00 0.00 C ATOM 220 O LYS A 18 3.064 3.430 -10.168 1.00 0.00 O ATOM 221 CB LYS A 18 0.888 1.846 -11.454 1.00 0.00 C ATOM 222 CG LYS A 18 1.157 0.346 -11.319 1.00 0.00 C ATOM 223 CD LYS A 18 0.990 -0.364 -12.665 1.00 0.00 C ATOM 224 CE LYS A 18 -0.272 -1.228 -12.675 1.00 0.00 C ATOM 225 NZ LYS A 18 -1.029 -1.025 -13.931 1.00 0.00 N ATOM 0 H LYS A 18 -0.019 4.151 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 18 0.370 1.800 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.058 2.004 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.666 2.305 -12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.167 0.186 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.473 -0.086 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.936 0.374 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.863 -0.986 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.001 -2.279 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.900 -0.976 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.883 -1.619 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.304 -0.025 -14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.433 -1.288 -14.742 1.00 0.00 H new ATOM 239 N ILE A 19 2.422 2.393 -8.263 1.00 0.00 N ATOM 240 CA ILE A 19 3.688 2.612 -7.585 1.00 0.00 C ATOM 241 C ILE A 19 4.480 1.303 -7.558 1.00 0.00 C ATOM 242 O ILE A 19 4.366 0.524 -6.614 1.00 0.00 O ATOM 243 CB ILE A 19 3.456 3.219 -6.200 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.926 4.650 -6.310 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.725 3.142 -5.348 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.647 4.825 -5.490 1.00 0.00 C ATOM 0 H ILE A 19 1.725 1.892 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 19 4.291 3.339 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 19 2.691 2.630 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.685 5.350 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.728 4.889 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.533 3.580 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.020 2.100 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.528 3.691 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.291 5.851 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.883 4.140 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.854 4.609 -4.442 1.00 0.00 H new ATOM 258 N ILE A 20 5.266 1.103 -8.606 1.00 0.00 N ATOM 259 CA ILE A 20 6.077 -0.098 -8.714 1.00 0.00 C ATOM 260 C ILE A 20 7.332 0.060 -7.853 1.00 0.00 C ATOM 261 O ILE A 20 8.269 0.758 -8.236 1.00 0.00 O ATOM 262 CB ILE A 20 6.375 -0.413 -10.182 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.161 -1.049 -10.863 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.626 -1.283 -10.313 1.00 0.00 C ATOM 265 CD1 ILE A 20 4.891 -0.398 -12.221 1.00 0.00 C ATOM 0 H ILE A 20 5.358 1.752 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 20 5.533 -0.961 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 20 6.580 0.525 -10.698 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.332 -2.117 -10.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.284 -0.943 -10.224 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.815 -1.492 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.481 -0.757 -9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.475 -2.221 -9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.023 -0.868 -12.684 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.697 0.666 -12.082 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.760 -0.527 -12.866 1.00 0.00 H new ATOM 277 N LEU A 21 7.309 -0.601 -6.705 1.00 0.00 N ATOM 278 CA LEU A 21 8.433 -0.543 -5.785 1.00 0.00 C ATOM 279 C LEU A 21 9.271 -1.815 -5.930 1.00 0.00 C ATOM 280 O LEU A 21 8.735 -2.887 -6.208 1.00 0.00 O ATOM 281 CB LEU A 21 7.945 -0.287 -4.358 1.00 0.00 C ATOM 282 CG LEU A 21 7.100 0.972 -4.154 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.651 1.100 -2.697 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.846 2.217 -4.636 1.00 0.00 C ATOM 0 H LEU A 21 6.530 -1.180 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 21 9.083 0.297 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.361 -1.149 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.814 -0.227 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 21 6.200 0.882 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.052 2.003 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.054 0.230 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.526 1.158 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.223 3.098 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.774 2.325 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.073 2.117 -5.697 1.00 0.00 H new ATOM 296 N HIS A 22 10.571 -1.655 -5.735 1.00 0.00 N ATOM 297 CA HIS A 22 11.488 -2.777 -5.840 1.00 0.00 C ATOM 298 C HIS A 22 12.108 -3.063 -4.471 1.00 0.00 C ATOM 299 O HIS A 22 13.093 -2.434 -4.088 1.00 0.00 O ATOM 300 CB HIS A 22 12.537 -2.522 -6.924 1.00 0.00 C ATOM 301 CG HIS A 22 11.958 -2.340 -8.307 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.673 -1.779 -9.351 1.00 0.00 N ATOM 303 CD2 HIS A 22 10.728 -2.652 -8.807 1.00 0.00 C ATOM 304 CE1 HIS A 22 11.898 -1.757 -10.425 1.00 0.00 C ATOM 305 NE2 HIS A 22 10.693 -2.298 -10.086 1.00 0.00 N ATOM 0 H HIS A 22 11.012 -0.764 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 22 10.942 -3.669 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.108 -1.632 -6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.237 -3.357 -6.941 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.634 -1.440 -9.302 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.920 -3.109 -8.256 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.172 -1.377 -11.398 1.00 0.00 H new ATOM 313 N LYS A 23 11.506 -4.013 -3.771 1.00 0.00 N ATOM 314 CA LYS A 23 11.987 -4.390 -2.453 1.00 0.00 C ATOM 315 C LYS A 23 13.517 -4.388 -2.453 1.00 0.00 C ATOM 316 O LYS A 23 14.142 -5.136 -3.203 1.00 0.00 O ATOM 317 CB LYS A 23 11.374 -5.723 -2.020 1.00 0.00 C ATOM 318 CG LYS A 23 10.038 -5.507 -1.306 1.00 0.00 C ATOM 319 CD LYS A 23 9.668 -6.722 -0.454 1.00 0.00 C ATOM 320 CE LYS A 23 8.267 -7.229 -0.800 1.00 0.00 C ATOM 321 NZ LYS A 23 7.320 -6.922 0.296 1.00 0.00 N ATOM 0 H LYS A 23 10.689 -4.533 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 23 11.667 -3.661 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.225 -6.359 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.064 -6.246 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.098 -4.621 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.255 -5.322 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.396 -7.517 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.712 -6.457 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.924 -6.766 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.296 -8.305 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.381 -6.719 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.255 -7.738 0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.658 -6.093 0.825 1.00 0.00 H new ATOM 335 N GLY A 24 14.076 -3.539 -1.603 1.00 0.00 N ATOM 336 CA GLY A 24 15.521 -3.429 -1.496 1.00 0.00 C ATOM 337 C GLY A 24 16.077 -4.459 -0.510 1.00 0.00 C ATOM 338 O GLY A 24 17.137 -5.037 -0.743 1.00 0.00 O ATOM 0 H GLY A 24 13.554 -2.921 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.974 -3.577 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.790 -2.425 -1.169 1.00 0.00 H new ATOM 342 N SER A 25 15.336 -4.656 0.571 1.00 0.00 N ATOM 343 CA SER A 25 15.741 -5.606 1.593 1.00 0.00 C ATOM 344 C SER A 25 14.820 -5.491 2.809 1.00 0.00 C ATOM 345 O SER A 25 14.094 -6.430 3.133 1.00 0.00 O ATOM 346 CB SER A 25 17.197 -5.381 2.007 1.00 0.00 C ATOM 347 OG SER A 25 18.105 -6.099 1.176 1.00 0.00 O ATOM 0 H SER A 25 14.458 -4.174 0.761 1.00 0.00 H new ATOM 0 HA SER A 25 15.660 -6.611 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.427 -4.317 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.331 -5.691 3.043 1.00 0.00 H new ATOM 0 HG SER A 25 17.810 -6.041 0.243 1.00 0.00 H new ATOM 353 N THR A 26 14.879 -4.332 3.449 1.00 0.00 N ATOM 354 CA THR A 26 14.059 -4.083 4.622 1.00 0.00 C ATOM 355 C THR A 26 12.581 -4.311 4.298 1.00 0.00 C ATOM 356 O THR A 26 11.813 -4.743 5.156 1.00 0.00 O ATOM 357 CB THR A 26 14.361 -2.667 5.117 1.00 0.00 C ATOM 358 OG1 THR A 26 14.416 -1.887 3.927 1.00 0.00 O ATOM 359 CG2 THR A 26 15.765 -2.542 5.711 1.00 0.00 C ATOM 0 H THR A 26 15.482 -3.555 3.177 1.00 0.00 H new ATOM 0 HA THR A 26 14.295 -4.781 5.425 1.00 0.00 H new ATOM 0 HB THR A 26 13.623 -2.379 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.606 -0.953 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.928 -1.518 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.864 -3.222 6.557 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.505 -2.797 4.953 1.00 0.00 H new ATOM 367 N GLY A 27 12.227 -4.010 3.057 1.00 0.00 N ATOM 368 CA GLY A 27 10.855 -4.177 2.609 1.00 0.00 C ATOM 369 C GLY A 27 10.537 -3.228 1.451 1.00 0.00 C ATOM 370 O GLY A 27 11.375 -3.003 0.580 1.00 0.00 O ATOM 0 H GLY A 27 12.867 -3.651 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.695 -5.208 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.172 -3.987 3.437 1.00 0.00 H new ATOM 374 N LEU A 28 9.324 -2.696 1.481 1.00 0.00 N ATOM 375 CA LEU A 28 8.885 -1.776 0.445 1.00 0.00 C ATOM 376 C LEU A 28 9.141 -0.339 0.903 1.00 0.00 C ATOM 377 O LEU A 28 9.056 0.594 0.107 1.00 0.00 O ATOM 378 CB LEU A 28 7.427 -2.050 0.068 1.00 0.00 C ATOM 379 CG LEU A 28 7.171 -3.326 -0.737 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.676 -3.522 -0.994 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.980 -3.327 -2.036 1.00 0.00 C ATOM 0 H LEU A 28 8.632 -2.884 2.206 1.00 0.00 H new ATOM 0 HA LEU A 28 9.461 -1.928 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.838 -2.098 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.055 -1.201 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 28 7.510 -4.176 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.522 -4.436 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.150 -3.598 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.289 -2.672 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.780 -4.245 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.694 -2.468 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.043 -3.269 -1.803 1.00 0.00 H new ATOM 393 N GLY A 29 9.452 -0.207 2.184 1.00 0.00 N ATOM 394 CA GLY A 29 9.722 1.101 2.757 1.00 0.00 C ATOM 395 C GLY A 29 8.423 1.875 2.993 1.00 0.00 C ATOM 396 O GLY A 29 8.403 3.102 2.909 1.00 0.00 O ATOM 0 H GLY A 29 9.523 -0.984 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.257 0.986 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.371 1.668 2.089 1.00 0.00 H new ATOM 400 N PHE A 30 7.370 1.126 3.284 1.00 0.00 N ATOM 401 CA PHE A 30 6.070 1.726 3.533 1.00 0.00 C ATOM 402 C PHE A 30 5.133 0.737 4.229 1.00 0.00 C ATOM 403 O PHE A 30 5.151 -0.456 3.930 1.00 0.00 O ATOM 404 CB PHE A 30 5.480 2.096 2.170 1.00 0.00 C ATOM 405 CG PHE A 30 4.820 0.925 1.439 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.698 0.350 1.949 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.356 0.459 0.279 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.086 -0.736 1.270 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.744 -0.628 -0.399 1.00 0.00 C ATOM 410 CZ PHE A 30 3.621 -1.203 0.110 1.00 0.00 C ATOM 0 H PHE A 30 7.390 0.109 3.353 1.00 0.00 H new ATOM 0 HA PHE A 30 6.180 2.597 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.743 2.887 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.272 2.504 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.273 0.720 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.247 0.916 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.195 -1.192 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.170 -0.999 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.155 -2.029 -0.406 1.00 0.00 H new ATOM 420 N ASN A 31 4.338 1.269 5.145 1.00 0.00 N ATOM 421 CA ASN A 31 3.396 0.448 5.887 1.00 0.00 C ATOM 422 C ASN A 31 1.997 0.620 5.291 1.00 0.00 C ATOM 423 O ASN A 31 1.803 1.413 4.371 1.00 0.00 O ATOM 424 CB ASN A 31 3.338 0.867 7.357 1.00 0.00 C ATOM 425 CG ASN A 31 3.572 -0.332 8.278 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.329 -1.475 7.926 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.057 -0.010 9.474 1.00 0.00 N ATOM 0 H ASN A 31 4.327 2.259 5.391 1.00 0.00 H new ATOM 0 HA ASN A 31 3.727 -0.588 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.090 1.631 7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.367 1.313 7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.248 -0.740 10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.238 0.967 9.705 1.00 0.00 H new ATOM 434 N ILE A 32 1.058 -0.136 5.840 1.00 0.00 N ATOM 435 CA ILE A 32 -0.318 -0.077 5.375 1.00 0.00 C ATOM 436 C ILE A 32 -1.262 -0.148 6.577 1.00 0.00 C ATOM 437 O ILE A 32 -0.855 -0.545 7.668 1.00 0.00 O ATOM 438 CB ILE A 32 -0.575 -1.160 4.326 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.268 -2.550 4.886 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.204 -0.875 3.040 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.306 -3.572 4.418 1.00 0.00 C ATOM 0 H ILE A 32 1.223 -0.793 6.603 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.511 0.872 4.874 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.635 -1.143 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.726 -2.863 4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.255 -2.512 5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.003 -1.660 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.107 0.087 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.271 -0.848 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.064 -4.551 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.295 -3.269 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.299 -3.625 3.329 1.00 0.00 H new ATOM 453 N VAL A 33 -2.505 0.242 6.337 1.00 0.00 N ATOM 454 CA VAL A 33 -3.510 0.227 7.386 1.00 0.00 C ATOM 455 C VAL A 33 -4.881 -0.055 6.768 1.00 0.00 C ATOM 456 O VAL A 33 -5.003 -0.183 5.551 1.00 0.00 O ATOM 457 CB VAL A 33 -3.467 1.540 8.170 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.025 2.007 8.379 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.298 2.621 7.476 1.00 0.00 C ATOM 0 H VAL A 33 -2.839 0.570 5.431 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.305 -0.570 8.101 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.906 1.358 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.023 2.942 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.474 1.249 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.549 2.163 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.250 3.544 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.902 2.798 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.335 2.292 7.403 1.00 0.00 H new ATOM 469 N GLY A 34 -5.878 -0.145 7.636 1.00 0.00 N ATOM 470 CA GLY A 34 -7.236 -0.410 7.192 1.00 0.00 C ATOM 471 C GLY A 34 -7.656 -1.840 7.536 1.00 0.00 C ATOM 472 O GLY A 34 -7.030 -2.491 8.372 1.00 0.00 O ATOM 0 H GLY A 34 -5.772 -0.039 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.920 0.297 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.307 -0.255 6.115 1.00 0.00 H new ATOM 476 N GLY A 35 -8.713 -2.288 6.875 1.00 0.00 N ATOM 477 CA GLY A 35 -9.224 -3.629 7.101 1.00 0.00 C ATOM 478 C GLY A 35 -10.380 -3.614 8.102 1.00 0.00 C ATOM 479 O GLY A 35 -10.590 -4.584 8.829 1.00 0.00 O ATOM 0 H GLY A 35 -9.230 -1.746 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.561 -4.057 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.424 -4.269 7.474 1.00 0.00 H new ATOM 483 N GLU A 36 -11.101 -2.502 8.109 1.00 0.00 N ATOM 484 CA GLU A 36 -12.231 -2.348 9.010 1.00 0.00 C ATOM 485 C GLU A 36 -13.514 -2.098 8.214 1.00 0.00 C ATOM 486 O GLU A 36 -13.624 -1.099 7.505 1.00 0.00 O ATOM 487 CB GLU A 36 -11.981 -1.221 10.014 1.00 0.00 C ATOM 488 CG GLU A 36 -10.711 -1.482 10.826 1.00 0.00 C ATOM 489 CD GLU A 36 -11.031 -2.237 12.118 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.444 -1.558 13.084 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.856 -3.474 12.111 1.00 0.00 O ATOM 0 H GLU A 36 -10.925 -1.699 7.505 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.351 -3.273 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.891 -0.272 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.835 -1.132 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.005 -2.059 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.227 -0.535 11.064 1.00 0.00 H new ATOM 498 N ASP A 37 -14.451 -3.023 8.359 1.00 0.00 N ATOM 499 CA ASP A 37 -15.722 -2.916 7.662 1.00 0.00 C ATOM 500 C ASP A 37 -15.464 -2.646 6.179 1.00 0.00 C ATOM 501 O ASP A 37 -16.325 -2.109 5.483 1.00 0.00 O ATOM 502 CB ASP A 37 -16.557 -1.760 8.215 1.00 0.00 C ATOM 503 CG ASP A 37 -16.791 -1.797 9.727 1.00 0.00 C ATOM 504 OD1 ASP A 37 -17.409 -2.783 10.182 1.00 0.00 O ATOM 505 OD2 ASP A 37 -16.346 -0.837 10.393 1.00 0.00 O ATOM 0 H ASP A 37 -14.356 -3.850 8.949 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.264 -3.851 7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.064 -0.822 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.524 -1.757 7.713 1.00 0.00 H new ATOM 510 N GLY A 38 -14.276 -3.031 5.737 1.00 0.00 N ATOM 511 CA GLY A 38 -13.894 -2.837 4.349 1.00 0.00 C ATOM 512 C GLY A 38 -13.947 -1.356 3.968 1.00 0.00 C ATOM 513 O GLY A 38 -14.669 -0.973 3.048 1.00 0.00 O ATOM 0 H GLY A 38 -13.565 -3.477 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.887 -3.222 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.560 -3.407 3.702 1.00 0.00 H new ATOM 517 N GLU A 39 -13.172 -0.563 4.693 1.00 0.00 N ATOM 518 CA GLU A 39 -13.121 0.867 4.443 1.00 0.00 C ATOM 519 C GLU A 39 -12.053 1.185 3.395 1.00 0.00 C ATOM 520 O GLU A 39 -12.129 2.208 2.716 1.00 0.00 O ATOM 521 CB GLU A 39 -12.867 1.642 5.737 1.00 0.00 C ATOM 522 CG GLU A 39 -11.391 1.575 6.135 1.00 0.00 C ATOM 523 CD GLU A 39 -11.237 1.185 7.607 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.025 1.716 8.420 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.335 0.366 7.885 1.00 0.00 O ATOM 0 H GLU A 39 -12.574 -0.884 5.454 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.089 1.182 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.165 2.682 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.482 1.232 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.874 0.850 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.919 2.542 5.960 1.00 0.00 H new ATOM 532 N GLY A 40 -11.082 0.289 3.296 1.00 0.00 N ATOM 533 CA GLY A 40 -9.999 0.461 2.342 1.00 0.00 C ATOM 534 C GLY A 40 -8.638 0.369 3.034 1.00 0.00 C ATOM 535 O GLY A 40 -8.563 0.337 4.262 1.00 0.00 O ATOM 0 H GLY A 40 -11.022 -0.558 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.069 -0.302 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.095 1.428 1.848 1.00 0.00 H new ATOM 539 N ILE A 41 -7.596 0.330 2.218 1.00 0.00 N ATOM 540 CA ILE A 41 -6.241 0.243 2.737 1.00 0.00 C ATOM 541 C ILE A 41 -5.516 1.566 2.481 1.00 0.00 C ATOM 542 O ILE A 41 -5.726 2.204 1.452 1.00 0.00 O ATOM 543 CB ILE A 41 -5.522 -0.975 2.155 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.283 -2.264 2.472 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.070 -1.035 2.632 1.00 0.00 C ATOM 546 CD1 ILE A 41 -5.958 -2.760 3.882 1.00 0.00 C ATOM 0 H ILE A 41 -7.662 0.357 1.200 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.255 0.090 3.816 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.500 -0.872 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.355 -2.089 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.023 -3.032 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.582 -1.910 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.545 -0.135 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.047 -1.103 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.512 -3.677 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.889 -2.957 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.241 -1.999 4.610 1.00 0.00 H new ATOM 558 N PHE A 42 -4.676 1.937 3.437 1.00 0.00 N ATOM 559 CA PHE A 42 -3.918 3.172 3.328 1.00 0.00 C ATOM 560 C PHE A 42 -2.521 3.013 3.931 1.00 0.00 C ATOM 561 O PHE A 42 -2.301 2.148 4.778 1.00 0.00 O ATOM 562 CB PHE A 42 -4.683 4.237 4.118 1.00 0.00 C ATOM 563 CG PHE A 42 -6.008 4.655 3.477 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.102 3.856 3.597 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.091 5.824 2.788 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.332 4.244 3.002 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.321 6.212 2.194 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.416 5.414 2.313 1.00 0.00 C ATOM 0 H PHE A 42 -4.504 1.404 4.290 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.803 3.447 2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.880 3.859 5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.050 5.118 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.036 2.927 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.222 6.457 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.201 3.610 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.387 7.141 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.351 5.709 1.861 1.00 0.00 H new ATOM 578 N VAL A 43 -1.613 3.860 3.470 1.00 0.00 N ATOM 579 CA VAL A 43 -0.243 3.824 3.953 1.00 0.00 C ATOM 580 C VAL A 43 -0.187 4.419 5.361 1.00 0.00 C ATOM 581 O VAL A 43 -0.763 5.476 5.615 1.00 0.00 O ATOM 582 CB VAL A 43 0.680 4.540 2.964 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.081 4.718 3.552 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.736 3.796 1.628 1.00 0.00 C ATOM 0 H VAL A 43 -1.799 4.575 2.767 1.00 0.00 H new ATOM 0 HA VAL A 43 0.111 2.795 4.021 1.00 0.00 H new ATOM 0 HB VAL A 43 0.267 5.531 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.717 5.229 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.020 5.311 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.506 3.741 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.399 4.326 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.113 2.786 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.264 3.745 1.198 1.00 0.00 H new ATOM 594 N SER A 44 0.512 3.715 6.239 1.00 0.00 N ATOM 595 CA SER A 44 0.650 4.160 7.615 1.00 0.00 C ATOM 596 C SER A 44 1.941 4.966 7.777 1.00 0.00 C ATOM 597 O SER A 44 1.997 5.901 8.575 1.00 0.00 O ATOM 598 CB SER A 44 0.640 2.974 8.582 1.00 0.00 C ATOM 599 OG SER A 44 1.919 2.754 9.171 1.00 0.00 O ATOM 0 H SER A 44 0.989 2.839 6.024 1.00 0.00 H new ATOM 0 HA SER A 44 -0.201 4.797 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.095 3.153 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.326 2.076 8.050 1.00 0.00 H new ATOM 0 HG SER A 44 1.870 1.990 9.783 1.00 0.00 H new ATOM 605 N PHE A 45 2.946 4.574 7.008 1.00 0.00 N ATOM 606 CA PHE A 45 4.232 5.248 7.056 1.00 0.00 C ATOM 607 C PHE A 45 5.088 4.883 5.842 1.00 0.00 C ATOM 608 O PHE A 45 4.792 3.921 5.135 1.00 0.00 O ATOM 609 CB PHE A 45 4.940 4.771 8.326 1.00 0.00 C ATOM 610 CG PHE A 45 6.401 5.212 8.427 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.704 6.480 8.814 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.398 4.335 8.128 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.061 6.889 8.908 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.754 4.745 8.222 1.00 0.00 C ATOM 615 CZ PHE A 45 9.057 6.012 8.610 1.00 0.00 C ATOM 0 H PHE A 45 2.896 3.798 6.348 1.00 0.00 H new ATOM 0 HA PHE A 45 4.086 6.328 7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.398 5.145 9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.896 3.683 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.913 7.176 9.050 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.158 3.328 7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.302 7.896 9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.546 4.050 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.089 6.322 8.682 1.00 0.00 H new ATOM 625 N ILE A 46 6.132 5.672 5.636 1.00 0.00 N ATOM 626 CA ILE A 46 7.033 5.444 4.519 1.00 0.00 C ATOM 627 C ILE A 46 8.480 5.576 5.001 1.00 0.00 C ATOM 628 O ILE A 46 8.879 6.628 5.496 1.00 0.00 O ATOM 629 CB ILE A 46 6.687 6.372 3.353 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.278 6.091 2.828 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.740 6.280 2.247 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.327 5.274 1.536 1.00 0.00 C ATOM 0 H ILE A 46 6.374 6.470 6.224 1.00 0.00 H new ATOM 0 HA ILE A 46 6.915 4.430 4.136 1.00 0.00 H new ATOM 0 HB ILE A 46 6.695 7.398 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.706 5.551 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.759 7.032 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.470 6.950 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.713 6.568 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.789 5.256 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.312 5.088 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.879 5.828 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.825 4.323 1.725 1.00 0.00 H new ATOM 644 N LEU A 47 9.225 4.492 4.839 1.00 0.00 N ATOM 645 CA LEU A 47 10.618 4.473 5.251 1.00 0.00 C ATOM 646 C LEU A 47 11.395 5.522 4.454 1.00 0.00 C ATOM 647 O LEU A 47 11.176 5.684 3.255 1.00 0.00 O ATOM 648 CB LEU A 47 11.192 3.060 5.132 1.00 0.00 C ATOM 649 CG LEU A 47 12.652 2.891 5.559 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.603 3.365 4.459 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.919 3.597 6.891 1.00 0.00 C ATOM 0 H LEU A 47 8.890 3.621 4.428 1.00 0.00 H new ATOM 0 HA LEU A 47 10.708 4.741 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.578 2.388 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.098 2.737 4.095 1.00 0.00 H new ATOM 0 HG LEU A 47 12.842 1.829 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.634 3.234 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.434 2.780 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.420 4.419 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.963 3.461 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.706 4.661 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.278 3.172 7.663 1.00 0.00 H new ATOM 663 N ALA A 48 12.288 6.208 5.153 1.00 0.00 N ATOM 664 CA ALA A 48 13.100 7.237 4.526 1.00 0.00 C ATOM 665 C ALA A 48 14.334 6.592 3.893 1.00 0.00 C ATOM 666 O ALA A 48 15.240 6.152 4.599 1.00 0.00 O ATOM 667 CB ALA A 48 13.465 8.302 5.562 1.00 0.00 C ATOM 0 H ALA A 48 12.467 6.071 6.148 1.00 0.00 H new ATOM 0 HA ALA A 48 12.543 7.733 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.074 9.074 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.554 8.750 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.027 7.842 6.375 1.00 0.00 H new ATOM 673 N GLY A 49 14.330 6.556 2.568 1.00 0.00 N ATOM 674 CA GLY A 49 15.438 5.972 1.832 1.00 0.00 C ATOM 675 C GLY A 49 15.023 4.658 1.167 1.00 0.00 C ATOM 676 O GLY A 49 15.764 4.108 0.353 1.00 0.00 O ATOM 0 H GLY A 49 13.577 6.922 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.785 6.674 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.274 5.793 2.508 1.00 0.00 H new ATOM 680 N GLY A 50 13.839 4.192 1.538 1.00 0.00 N ATOM 681 CA GLY A 50 13.317 2.953 0.987 1.00 0.00 C ATOM 682 C GLY A 50 12.909 3.132 -0.476 1.00 0.00 C ATOM 683 O GLY A 50 13.165 4.178 -1.072 1.00 0.00 O ATOM 0 H GLY A 50 13.227 4.650 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.071 2.170 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.457 2.625 1.571 1.00 0.00 H new ATOM 687 N PRO A 51 12.266 2.069 -1.028 1.00 0.00 N ATOM 688 CA PRO A 51 11.821 2.099 -2.411 1.00 0.00 C ATOM 689 C PRO A 51 10.578 2.976 -2.568 1.00 0.00 C ATOM 690 O PRO A 51 10.392 3.617 -3.602 1.00 0.00 O ATOM 691 CB PRO A 51 11.572 0.644 -2.776 1.00 0.00 C ATOM 692 CG PRO A 51 11.438 -0.099 -1.457 1.00 0.00 C ATOM 693 CD PRO A 51 11.947 0.814 -0.353 1.00 0.00 C ATOM 0 HA PRO A 51 12.558 2.543 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.668 0.541 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.395 0.243 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.398 -0.372 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.012 -1.025 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.192 0.961 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.825 0.393 0.136 1.00 0.00 H new ATOM 701 N ALA A 52 9.758 2.977 -1.527 1.00 0.00 N ATOM 702 CA ALA A 52 8.537 3.765 -1.537 1.00 0.00 C ATOM 703 C ALA A 52 8.895 5.251 -1.474 1.00 0.00 C ATOM 704 O ALA A 52 8.269 6.073 -2.142 1.00 0.00 O ATOM 705 CB ALA A 52 7.641 3.331 -0.376 1.00 0.00 C ATOM 0 H ALA A 52 9.915 2.445 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 52 7.979 3.599 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.725 3.922 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.393 2.275 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.166 3.487 0.567 1.00 0.00 H new ATOM 711 N ASP A 53 9.899 5.552 -0.664 1.00 0.00 N ATOM 712 CA ASP A 53 10.347 6.925 -0.505 1.00 0.00 C ATOM 713 C ASP A 53 11.182 7.329 -1.722 1.00 0.00 C ATOM 714 O ASP A 53 10.833 8.269 -2.435 1.00 0.00 O ATOM 715 CB ASP A 53 11.223 7.078 0.740 1.00 0.00 C ATOM 716 CG ASP A 53 12.093 8.336 0.768 1.00 0.00 C ATOM 717 OD1 ASP A 53 13.072 8.366 -0.008 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.759 9.239 1.565 1.00 0.00 O ATOM 0 H ASP A 53 10.415 4.868 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 53 9.465 7.558 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.580 7.079 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.871 6.205 0.820 1.00 0.00 H new ATOM 723 N LEU A 54 12.269 6.598 -1.923 1.00 0.00 N ATOM 724 CA LEU A 54 13.156 6.868 -3.042 1.00 0.00 C ATOM 725 C LEU A 54 12.324 7.072 -4.309 1.00 0.00 C ATOM 726 O LEU A 54 12.410 8.118 -4.951 1.00 0.00 O ATOM 727 CB LEU A 54 14.210 5.766 -3.169 1.00 0.00 C ATOM 728 CG LEU A 54 15.332 5.787 -2.129 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.471 4.849 -2.531 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.825 7.215 -1.883 1.00 0.00 C ATOM 0 H LEU A 54 12.555 5.819 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 54 13.712 7.790 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.707 4.801 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.659 5.833 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 54 14.930 5.418 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.255 4.883 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.091 3.831 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.880 5.164 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.622 7.202 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.204 7.635 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.000 7.827 -1.519 1.00 0.00 H new ATOM 742 N SER A 55 11.538 6.056 -4.633 1.00 0.00 N ATOM 743 CA SER A 55 10.691 6.111 -5.812 1.00 0.00 C ATOM 744 C SER A 55 9.995 7.471 -5.894 1.00 0.00 C ATOM 745 O SER A 55 9.924 8.072 -6.965 1.00 0.00 O ATOM 746 CB SER A 55 9.655 4.985 -5.799 1.00 0.00 C ATOM 747 OG SER A 55 8.783 5.075 -4.676 1.00 0.00 O ATOM 0 H SER A 55 11.470 5.190 -4.099 1.00 0.00 H new ATOM 0 HA SER A 55 11.321 5.979 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.069 5.021 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.166 4.022 -5.785 1.00 0.00 H new ATOM 0 HG SER A 55 9.120 4.504 -3.954 1.00 0.00 H new ATOM 753 N GLY A 56 9.500 7.917 -4.749 1.00 0.00 N ATOM 754 CA GLY A 56 8.813 9.195 -4.678 1.00 0.00 C ATOM 755 C GLY A 56 7.344 9.051 -5.083 1.00 0.00 C ATOM 756 O GLY A 56 6.559 9.985 -4.926 1.00 0.00 O ATOM 0 H GLY A 56 9.561 7.416 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.877 9.591 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.306 9.914 -5.333 1.00 0.00 H new ATOM 760 N GLU A 57 7.018 7.874 -5.596 1.00 0.00 N ATOM 761 CA GLU A 57 5.657 7.596 -6.024 1.00 0.00 C ATOM 762 C GLU A 57 4.746 7.407 -4.810 1.00 0.00 C ATOM 763 O GLU A 57 3.792 8.159 -4.622 1.00 0.00 O ATOM 764 CB GLU A 57 5.611 6.372 -6.941 1.00 0.00 C ATOM 765 CG GLU A 57 6.690 6.454 -8.021 1.00 0.00 C ATOM 766 CD GLU A 57 6.796 7.874 -8.583 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.733 8.420 -8.949 1.00 0.00 O ATOM 768 OE2 GLU A 57 7.938 8.380 -8.634 1.00 0.00 O ATOM 0 H GLU A 57 7.672 7.102 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 57 5.294 8.451 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.750 5.466 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.629 6.300 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.651 6.151 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.458 5.757 -8.826 1.00 0.00 H new ATOM 775 N LEU A 58 5.074 6.397 -4.016 1.00 0.00 N ATOM 776 CA LEU A 58 4.297 6.100 -2.825 1.00 0.00 C ATOM 777 C LEU A 58 4.493 7.219 -1.800 1.00 0.00 C ATOM 778 O LEU A 58 5.609 7.699 -1.607 1.00 0.00 O ATOM 779 CB LEU A 58 4.646 4.709 -2.291 1.00 0.00 C ATOM 780 CG LEU A 58 3.460 3.811 -1.931 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.921 2.378 -1.656 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.668 4.394 -0.759 1.00 0.00 C ATOM 0 H LEU A 58 5.867 5.775 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 58 3.234 6.068 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.251 4.196 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.269 4.828 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 58 2.787 3.773 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.059 1.761 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.407 1.975 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.626 2.376 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.831 3.737 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.318 4.481 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.290 5.380 -1.030 1.00 0.00 H new ATOM 794 N ARG A 59 3.392 7.601 -1.171 1.00 0.00 N ATOM 795 CA ARG A 59 3.430 8.655 -0.171 1.00 0.00 C ATOM 796 C ARG A 59 2.483 8.324 0.985 1.00 0.00 C ATOM 797 O ARG A 59 1.416 7.749 0.773 1.00 0.00 O ATOM 798 CB ARG A 59 3.032 10.003 -0.776 1.00 0.00 C ATOM 799 CG ARG A 59 4.000 10.412 -1.888 1.00 0.00 C ATOM 800 CD ARG A 59 4.100 11.935 -1.996 1.00 0.00 C ATOM 801 NE ARG A 59 5.454 12.322 -2.449 1.00 0.00 N ATOM 802 CZ ARG A 59 5.971 13.550 -2.307 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.251 14.517 -1.722 1.00 0.00 N ATOM 804 NH2 ARG A 59 7.209 13.811 -2.749 1.00 0.00 N ATOM 0 H ARG A 59 2.468 7.200 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 59 4.453 8.723 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.019 9.942 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.023 10.766 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.986 9.993 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.663 9.998 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.353 12.308 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.887 12.391 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 59 6.030 11.610 -2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.309 14.318 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.645 15.452 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.758 13.075 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.603 14.746 -2.641 1.00 0.00 H new ATOM 818 N ARG A 60 2.908 8.700 2.182 1.00 0.00 N ATOM 819 CA ARG A 60 2.112 8.450 3.372 1.00 0.00 C ATOM 820 C ARG A 60 0.755 9.148 3.258 1.00 0.00 C ATOM 821 O ARG A 60 0.688 10.374 3.190 1.00 0.00 O ATOM 822 CB ARG A 60 2.830 8.945 4.629 1.00 0.00 C ATOM 823 CG ARG A 60 1.982 8.696 5.878 1.00 0.00 C ATOM 824 CD ARG A 60 2.464 9.556 7.048 1.00 0.00 C ATOM 825 NE ARG A 60 1.334 10.336 7.602 1.00 0.00 N ATOM 826 CZ ARG A 60 0.918 11.510 7.107 1.00 0.00 C ATOM 827 NH1 ARG A 60 1.535 12.047 6.046 1.00 0.00 N ATOM 828 NH2 ARG A 60 -0.116 12.147 7.674 1.00 0.00 N ATOM 0 H ARG A 60 3.794 9.176 2.354 1.00 0.00 H new ATOM 0 HA ARG A 60 1.965 7.373 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.789 8.436 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.042 10.010 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.937 8.920 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.032 7.642 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.894 8.922 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.253 10.230 6.714 1.00 0.00 H new ATOM 0 HE ARG A 60 0.842 9.956 8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.322 11.562 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.218 12.940 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.586 11.738 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.433 13.040 7.298 1.00 0.00 H new ATOM 842 N GLY A 61 -0.292 8.337 3.242 1.00 0.00 N ATOM 843 CA GLY A 61 -1.643 8.861 3.138 1.00 0.00 C ATOM 844 C GLY A 61 -2.315 8.395 1.845 1.00 0.00 C ATOM 845 O GLY A 61 -3.399 8.862 1.501 1.00 0.00 O ATOM 0 H GLY A 61 -0.232 7.320 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.231 8.534 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.617 9.950 3.166 1.00 0.00 H new ATOM 849 N ASP A 62 -1.641 7.480 1.163 1.00 0.00 N ATOM 850 CA ASP A 62 -2.159 6.946 -0.085 1.00 0.00 C ATOM 851 C ASP A 62 -2.977 5.685 0.205 1.00 0.00 C ATOM 852 O ASP A 62 -2.597 4.874 1.048 1.00 0.00 O ATOM 853 CB ASP A 62 -1.022 6.563 -1.034 1.00 0.00 C ATOM 854 CG ASP A 62 -0.968 7.366 -2.335 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.426 8.491 -2.285 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.469 6.836 -3.350 1.00 0.00 O ATOM 0 H ASP A 62 -0.741 7.095 1.451 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.775 7.715 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.074 6.685 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.116 5.505 -1.281 1.00 0.00 H new ATOM 861 N ARG A 63 -4.086 5.561 -0.510 1.00 0.00 N ATOM 862 CA ARG A 63 -4.961 4.413 -0.339 1.00 0.00 C ATOM 863 C ARG A 63 -4.572 3.300 -1.315 1.00 0.00 C ATOM 864 O ARG A 63 -4.742 3.443 -2.525 1.00 0.00 O ATOM 865 CB ARG A 63 -6.424 4.797 -0.571 1.00 0.00 C ATOM 866 CG ARG A 63 -7.362 3.675 -0.123 1.00 0.00 C ATOM 867 CD ARG A 63 -8.791 3.928 -0.610 1.00 0.00 C ATOM 868 NE ARG A 63 -9.435 2.646 -0.975 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.761 2.457 -1.012 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.591 3.464 -0.708 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.258 1.260 -1.354 1.00 0.00 N ATOM 0 H ARG A 63 -4.398 6.236 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.848 4.059 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.655 5.710 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.585 5.010 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.005 2.721 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.352 3.600 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.367 4.425 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.778 4.596 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.832 1.858 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.214 4.375 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.600 3.319 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.627 0.493 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.267 1.116 -1.382 1.00 0.00 H new ATOM 885 N ILE A 64 -4.057 2.217 -0.752 1.00 0.00 N ATOM 886 CA ILE A 64 -3.643 1.080 -1.557 1.00 0.00 C ATOM 887 C ILE A 64 -4.877 0.428 -2.184 1.00 0.00 C ATOM 888 O ILE A 64 -5.631 -0.266 -1.503 1.00 0.00 O ATOM 889 CB ILE A 64 -2.794 0.117 -0.726 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.605 0.841 -0.092 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.353 -1.086 -1.562 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.519 1.127 -1.131 1.00 0.00 C ATOM 0 H ILE A 64 -3.917 2.103 0.252 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.003 1.406 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.410 -0.265 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.941 1.777 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.192 0.233 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.751 -1.755 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.232 -1.619 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.762 -0.742 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.315 1.642 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.168 0.188 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.929 1.755 -1.922 1.00 0.00 H new ATOM 904 N LEU A 65 -5.046 0.675 -3.475 1.00 0.00 N ATOM 905 CA LEU A 65 -6.175 0.120 -4.201 1.00 0.00 C ATOM 906 C LEU A 65 -5.942 -1.373 -4.435 1.00 0.00 C ATOM 907 O LEU A 65 -6.765 -2.202 -4.049 1.00 0.00 O ATOM 908 CB LEU A 65 -6.426 0.912 -5.486 1.00 0.00 C ATOM 909 CG LEU A 65 -7.243 2.197 -5.334 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.625 1.901 -4.748 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.481 3.236 -4.509 1.00 0.00 C ATOM 0 H LEU A 65 -4.420 1.252 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.088 0.212 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.462 1.168 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.937 0.262 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.398 2.623 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.185 2.831 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.163 1.221 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.513 1.440 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.083 4.140 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.275 2.833 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.541 3.476 -5.005 1.00 0.00 H new ATOM 923 N SER A 66 -4.816 -1.673 -5.067 1.00 0.00 N ATOM 924 CA SER A 66 -4.465 -3.052 -5.356 1.00 0.00 C ATOM 925 C SER A 66 -2.953 -3.247 -5.220 1.00 0.00 C ATOM 926 O SER A 66 -2.191 -2.284 -5.291 1.00 0.00 O ATOM 927 CB SER A 66 -4.927 -3.456 -6.758 1.00 0.00 C ATOM 928 OG SER A 66 -4.556 -2.493 -7.740 1.00 0.00 O ATOM 0 H SER A 66 -4.135 -0.984 -5.387 1.00 0.00 H new ATOM 0 HA SER A 66 -4.974 -3.692 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.496 -4.423 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.010 -3.579 -6.762 1.00 0.00 H new ATOM 0 HG SER A 66 -4.867 -2.788 -8.621 1.00 0.00 H new ATOM 934 N VAL A 67 -2.565 -4.499 -5.026 1.00 0.00 N ATOM 935 CA VAL A 67 -1.159 -4.832 -4.878 1.00 0.00 C ATOM 936 C VAL A 67 -0.800 -5.954 -5.854 1.00 0.00 C ATOM 937 O VAL A 67 -1.555 -6.912 -6.009 1.00 0.00 O ATOM 938 CB VAL A 67 -0.855 -5.187 -3.421 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.288 -6.201 -3.331 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.540 -3.932 -2.605 1.00 0.00 C ATOM 0 H VAL A 67 -3.200 -5.295 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.535 -3.973 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.746 -5.648 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.484 -6.436 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.009 -7.111 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.186 -5.778 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.328 -4.213 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.329 -3.430 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.396 -3.258 -2.629 1.00 0.00 H new ATOM 950 N ASN A 68 0.353 -5.798 -6.488 1.00 0.00 N ATOM 951 CA ASN A 68 0.822 -6.786 -7.445 1.00 0.00 C ATOM 952 C ASN A 68 -0.363 -7.291 -8.271 1.00 0.00 C ATOM 953 O ASN A 68 -0.363 -8.432 -8.730 1.00 0.00 O ATOM 954 CB ASN A 68 1.448 -7.987 -6.734 1.00 0.00 C ATOM 955 CG ASN A 68 2.378 -8.757 -7.674 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.428 -9.304 -7.068 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 2.157 -8.848 -8.870 1.00 0.00 N flip ATOM 0 H ASN A 68 0.977 -5.002 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 68 1.571 -6.312 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.007 -7.647 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.662 -8.649 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.331 -8.403 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.798 -9.369 -9.469 1.00 0.00 H new ATOM 964 N GLY A 69 -1.344 -6.416 -8.435 1.00 0.00 N ATOM 965 CA GLY A 69 -2.532 -6.758 -9.199 1.00 0.00 C ATOM 966 C GLY A 69 -3.483 -7.627 -8.372 1.00 0.00 C ATOM 967 O GLY A 69 -3.831 -8.734 -8.780 1.00 0.00 O ATOM 0 H GLY A 69 -1.341 -5.471 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.043 -5.847 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.245 -7.289 -10.107 1.00 0.00 H new ATOM 971 N VAL A 70 -3.877 -7.091 -7.226 1.00 0.00 N ATOM 972 CA VAL A 70 -4.781 -7.804 -6.339 1.00 0.00 C ATOM 973 C VAL A 70 -5.873 -6.847 -5.856 1.00 0.00 C ATOM 974 O VAL A 70 -5.617 -5.663 -5.645 1.00 0.00 O ATOM 975 CB VAL A 70 -3.994 -8.440 -5.191 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.697 -7.416 -4.095 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.736 -9.652 -4.624 1.00 0.00 C ATOM 0 H VAL A 70 -3.587 -6.172 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.273 -8.619 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.041 -8.787 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.137 -7.895 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.108 -6.599 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.634 -7.024 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.156 -10.086 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.710 -9.339 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.871 -10.396 -5.409 1.00 0.00 H new ATOM 987 N ASN A 71 -7.067 -7.398 -5.694 1.00 0.00 N ATOM 988 CA ASN A 71 -8.200 -6.608 -5.240 1.00 0.00 C ATOM 989 C ASN A 71 -8.230 -6.601 -3.711 1.00 0.00 C ATOM 990 O ASN A 71 -8.513 -7.623 -3.087 1.00 0.00 O ATOM 991 CB ASN A 71 -9.519 -7.202 -5.737 1.00 0.00 C ATOM 992 CG ASN A 71 -10.609 -6.130 -5.812 1.00 0.00 C ATOM 993 OD1 ASN A 71 -11.499 -6.054 -4.981 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.489 -5.309 -6.851 1.00 0.00 N ATOM 0 H ASN A 71 -7.275 -8.381 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.088 -5.598 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.374 -7.647 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.836 -8.002 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.167 -4.559 -6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.719 -5.429 -7.509 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.936 -5.438 -3.150 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.926 -5.284 -1.705 1.00 0.00 C ATOM 1003 C LEU A 72 -8.899 -4.173 -1.308 1.00 0.00 C ATOM 1004 O LEU A 72 -9.069 -3.885 -0.124 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.499 -5.062 -1.199 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.452 -6.069 -1.680 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.039 -5.498 -1.545 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.602 -7.405 -0.951 1.00 0.00 C ATOM 0 H LEU A 72 -7.703 -4.592 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.272 -6.198 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.179 -4.064 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.515 -5.077 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.622 -6.259 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.314 -6.234 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.954 -4.592 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.841 -5.261 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.846 -8.103 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.473 -7.251 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.594 -7.814 -1.142 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.514 -3.578 -2.320 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.466 -2.505 -2.091 1.00 0.00 C ATOM 1022 C ARG A 73 -11.288 -2.785 -0.832 1.00 0.00 C ATOM 1023 O ARG A 73 -11.689 -1.858 -0.129 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.411 -2.343 -3.284 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.849 -1.345 -4.297 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.763 -1.229 -5.518 1.00 0.00 C ATOM 1027 NE ARG A 73 -12.893 -0.320 -5.220 1.00 0.00 N ATOM 1028 CZ ARG A 73 -12.827 1.015 -5.311 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -11.686 1.605 -5.692 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -13.902 1.761 -5.020 1.00 0.00 N ATOM 0 H ARG A 73 -9.371 -3.819 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.901 -1.582 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.563 -3.309 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.387 -2.003 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.738 -0.368 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.855 -1.662 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.198 -0.853 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.141 -2.213 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.777 -0.736 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.868 1.038 -5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.636 2.621 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.771 1.312 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.851 2.777 -5.089 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.516 -4.066 -0.585 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.284 -4.479 0.577 1.00 0.00 C ATOM 1046 C ASN A 74 -11.613 -5.694 1.221 1.00 0.00 C ATOM 1047 O ASN A 74 -12.235 -6.744 1.373 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.707 -4.879 0.184 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.345 -3.820 -0.717 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.804 -2.782 -0.270 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.349 -4.139 -2.008 1.00 0.00 N ATOM 0 H ASN A 74 -11.182 -4.832 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.324 -3.639 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.689 -5.839 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.312 -5.011 1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.753 -3.498 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.948 -5.025 -2.316 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.351 -5.511 1.582 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.589 -6.579 2.206 1.00 0.00 C ATOM 1060 C ALA A 75 -9.128 -6.127 3.594 1.00 0.00 C ATOM 1061 O ALA A 75 -9.093 -4.932 3.881 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.418 -6.967 1.301 1.00 0.00 C ATOM 0 H ALA A 75 -9.837 -4.639 1.454 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.208 -7.466 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.846 -7.768 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.799 -7.308 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.773 -6.102 1.150 1.00 0.00 H new ATOM 1068 N THR A 76 -8.786 -7.108 4.417 1.00 0.00 N ATOM 1069 CA THR A 76 -8.329 -6.826 5.767 1.00 0.00 C ATOM 1070 C THR A 76 -6.819 -6.578 5.778 1.00 0.00 C ATOM 1071 O THR A 76 -6.110 -7.002 4.867 1.00 0.00 O ATOM 1072 CB THR A 76 -8.761 -7.988 6.664 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.793 -9.002 6.408 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.083 -8.614 6.216 1.00 0.00 C ATOM 0 H THR A 76 -8.816 -8.098 4.175 1.00 0.00 H new ATOM 0 HA THR A 76 -8.779 -5.912 6.155 1.00 0.00 H new ATOM 0 HB THR A 76 -8.856 -7.637 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.996 -9.793 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.343 -9.433 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.870 -7.860 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.979 -8.995 5.200 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.372 -5.892 6.820 1.00 0.00 N ATOM 1083 CA HIS A 77 -4.960 -5.583 6.962 1.00 0.00 C ATOM 1084 C HIS A 77 -4.125 -6.805 6.575 1.00 0.00 C ATOM 1085 O HIS A 77 -3.204 -6.702 5.767 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.653 -5.078 8.373 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.515 -4.088 8.437 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.399 -3.143 9.442 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.444 -3.906 7.612 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.304 -2.430 9.221 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.714 -2.904 8.086 1.00 0.00 N ATOM 0 H HIS A 77 -6.963 -5.542 7.574 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.692 -4.774 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.549 -4.613 8.784 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.416 -5.931 9.009 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -4.046 -3.017 10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.227 -4.480 6.723 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.942 -1.616 9.832 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.478 -7.935 7.171 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.773 -9.176 6.899 1.00 0.00 C ATOM 1101 C GLU A 78 -3.805 -9.488 5.402 1.00 0.00 C ATOM 1102 O GLU A 78 -2.759 -9.652 4.776 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.362 -10.331 7.712 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.261 -11.270 8.209 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.816 -12.287 9.208 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.133 -11.858 10.338 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.912 -13.471 8.818 1.00 0.00 O ATOM 0 H GLU A 78 -5.243 -8.017 7.841 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.733 -9.054 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.918 -9.935 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.070 -10.888 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.815 -11.793 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.468 -10.689 8.679 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.017 -9.560 4.871 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.199 -9.849 3.458 1.00 0.00 C ATOM 1116 C GLN A 79 -4.325 -8.923 2.610 1.00 0.00 C ATOM 1117 O GLN A 79 -3.613 -9.381 1.717 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.671 -9.732 3.060 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.431 -11.020 3.382 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.705 -11.130 2.542 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.853 -10.500 1.507 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.613 -11.963 3.042 1.00 0.00 N ATOM 0 H GLN A 79 -5.882 -9.423 5.393 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.888 -10.877 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.128 -8.895 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.747 -9.518 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.791 -11.881 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.687 -11.040 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.425 -12.459 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.497 -12.106 2.554 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.408 -7.637 2.919 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.634 -6.643 2.195 1.00 0.00 C ATOM 1133 C ALA A 80 -2.144 -6.944 2.360 1.00 0.00 C ATOM 1134 O ALA A 80 -1.348 -6.666 1.465 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.005 -5.245 2.695 1.00 0.00 C ATOM 0 H ALA A 80 -4.999 -7.261 3.660 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.862 -6.680 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.425 -4.499 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.068 -5.069 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.787 -5.170 3.760 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.810 -7.509 3.512 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.429 -7.851 3.806 1.00 0.00 C ATOM 1143 C ALA A 81 -0.055 -9.131 3.056 1.00 0.00 C ATOM 1144 O ALA A 81 1.026 -9.221 2.475 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.248 -7.987 5.319 1.00 0.00 C ATOM 0 H ALA A 81 -2.473 -7.738 4.253 1.00 0.00 H new ATOM 0 HA ALA A 81 0.243 -7.062 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.788 -8.244 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.499 -7.042 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.904 -8.772 5.695 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.970 -10.089 3.093 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.749 -11.360 2.424 1.00 0.00 C ATOM 1153 C ALA A 82 -0.442 -11.108 0.946 1.00 0.00 C ATOM 1154 O ALA A 82 0.111 -11.971 0.267 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.972 -12.259 2.620 1.00 0.00 C ATOM 0 H ALA A 82 -1.865 -10.011 3.575 1.00 0.00 H new ATOM 0 HA ALA A 82 0.109 -11.876 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.807 -13.213 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.130 -12.432 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.852 -11.774 2.197 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.814 -9.920 0.492 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.585 -9.543 -0.892 1.00 0.00 C ATOM 1163 C ALA A 83 0.868 -9.094 -1.061 1.00 0.00 C ATOM 1164 O ALA A 83 1.437 -9.214 -2.144 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.582 -8.455 -1.297 1.00 0.00 C ATOM 0 H ALA A 83 -1.272 -9.206 1.058 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.746 -10.395 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.410 -8.172 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.598 -8.834 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.449 -7.583 -0.657 1.00 0.00 H new ATOM 1171 N LEU A 84 1.427 -8.586 0.028 1.00 0.00 N ATOM 1172 CA LEU A 84 2.803 -8.119 0.015 1.00 0.00 C ATOM 1173 C LEU A 84 3.737 -9.290 0.326 1.00 0.00 C ATOM 1174 O LEU A 84 4.945 -9.198 0.112 1.00 0.00 O ATOM 1175 CB LEU A 84 2.973 -6.928 0.960 1.00 0.00 C ATOM 1176 CG LEU A 84 2.584 -5.561 0.393 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.118 -5.386 -1.030 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.071 -5.347 0.468 1.00 0.00 C ATOM 0 H LEU A 84 0.952 -8.488 0.925 1.00 0.00 H new ATOM 0 HA LEU A 84 3.072 -7.751 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.377 -7.111 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.016 -6.885 1.275 1.00 0.00 H new ATOM 0 HG LEU A 84 3.049 -4.791 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.828 -4.406 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.205 -5.465 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.702 -6.162 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.821 -4.368 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.565 -6.121 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.747 -5.399 1.508 1.00 0.00 H new ATOM 1190 N LYS A 85 3.143 -10.363 0.826 1.00 0.00 N ATOM 1191 CA LYS A 85 3.907 -11.551 1.168 1.00 0.00 C ATOM 1192 C LYS A 85 3.924 -12.504 -0.028 1.00 0.00 C ATOM 1193 O LYS A 85 4.845 -13.305 -0.175 1.00 0.00 O ATOM 1194 CB LYS A 85 3.367 -12.184 2.452 1.00 0.00 C ATOM 1195 CG LYS A 85 3.933 -11.483 3.689 1.00 0.00 C ATOM 1196 CD LYS A 85 2.809 -10.939 4.573 1.00 0.00 C ATOM 1197 CE LYS A 85 3.335 -9.867 5.530 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.393 -10.391 6.913 1.00 0.00 N ATOM 0 H LYS A 85 2.141 -10.435 1.003 1.00 0.00 H new ATOM 0 HA LYS A 85 4.943 -11.289 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.279 -12.124 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.628 -13.242 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.544 -12.182 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.586 -10.666 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.021 -10.519 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.363 -11.754 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.327 -9.545 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.689 -8.990 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.752 -9.651 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.440 -10.676 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.028 -11.214 6.946 1.00 0.00 H new ATOM 1212 N ARG A 86 2.893 -12.387 -0.852 1.00 0.00 N ATOM 1213 CA ARG A 86 2.777 -13.228 -2.031 1.00 0.00 C ATOM 1214 C ARG A 86 3.458 -12.562 -3.228 1.00 0.00 C ATOM 1215 O ARG A 86 3.603 -13.175 -4.284 1.00 0.00 O ATOM 1216 CB ARG A 86 1.310 -13.499 -2.372 1.00 0.00 C ATOM 1217 CG ARG A 86 0.714 -12.346 -3.182 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.808 -12.298 -3.029 1.00 0.00 C ATOM 1219 NE ARG A 86 -1.442 -13.226 -3.992 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.710 -14.512 -3.731 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.400 -15.032 -2.535 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -2.288 -15.279 -4.665 1.00 0.00 N ATOM 0 H ARG A 86 2.130 -11.722 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 86 3.268 -14.176 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.230 -14.426 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.739 -13.637 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.146 -11.402 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.974 -12.463 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.088 -12.569 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.167 -11.283 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.690 -12.863 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.960 -14.448 -1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.604 -16.011 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.524 -14.884 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.492 -16.258 -4.466 1.00 0.00 H new ATOM 1236 N ALA A 87 3.856 -11.315 -3.023 1.00 0.00 N ATOM 1237 CA ALA A 87 4.518 -10.558 -4.072 1.00 0.00 C ATOM 1238 C ALA A 87 5.964 -11.041 -4.209 1.00 0.00 C ATOM 1239 O ALA A 87 6.234 -12.237 -4.111 1.00 0.00 O ATOM 1240 CB ALA A 87 4.430 -9.064 -3.757 1.00 0.00 C ATOM 0 H ALA A 87 3.733 -10.810 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 87 4.025 -10.719 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.927 -8.496 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.383 -8.765 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.917 -8.864 -2.803 1.00 0.00 H new ATOM 1246 N GLY A 88 6.854 -10.086 -4.432 1.00 0.00 N ATOM 1247 CA GLY A 88 8.265 -10.398 -4.583 1.00 0.00 C ATOM 1248 C GLY A 88 9.113 -9.125 -4.573 1.00 0.00 C ATOM 1249 O GLY A 88 8.864 -8.216 -3.782 1.00 0.00 O ATOM 0 H GLY A 88 6.625 -9.095 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.583 -11.058 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.424 -10.937 -5.517 1.00 0.00 H new ATOM 1253 N GLN A 89 10.097 -9.100 -5.460 1.00 0.00 N ATOM 1254 CA GLN A 89 10.983 -7.953 -5.562 1.00 0.00 C ATOM 1255 C GLN A 89 10.272 -6.794 -6.263 1.00 0.00 C ATOM 1256 O GLN A 89 10.235 -5.679 -5.745 1.00 0.00 O ATOM 1257 CB GLN A 89 12.277 -8.323 -6.291 1.00 0.00 C ATOM 1258 CG GLN A 89 13.378 -8.696 -5.297 1.00 0.00 C ATOM 1259 CD GLN A 89 14.721 -8.094 -5.715 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.826 -6.930 -6.065 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.738 -8.948 -5.658 1.00 0.00 N ATOM 0 H GLN A 89 10.300 -9.856 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 89 11.250 -7.634 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.092 -9.159 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.605 -7.484 -6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.110 -8.341 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.465 -9.781 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.580 -9.909 -5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.676 -8.642 -5.916 1.00 0.00 H new ATOM 1270 N SER A 90 9.724 -7.097 -7.431 1.00 0.00 N ATOM 1271 CA SER A 90 9.015 -6.094 -8.208 1.00 0.00 C ATOM 1272 C SER A 90 7.513 -6.185 -7.934 1.00 0.00 C ATOM 1273 O SER A 90 6.805 -6.953 -8.584 1.00 0.00 O ATOM 1274 CB SER A 90 9.293 -6.258 -9.703 1.00 0.00 C ATOM 1275 OG SER A 90 10.239 -7.293 -9.960 1.00 0.00 O ATOM 0 H SER A 90 9.757 -8.023 -7.858 1.00 0.00 H new ATOM 0 HA SER A 90 9.374 -5.110 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.361 -6.481 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.666 -5.317 -10.108 1.00 0.00 H new ATOM 0 HG SER A 90 10.388 -7.367 -10.926 1.00 0.00 H new ATOM 1281 N VAL A 91 7.070 -5.390 -6.971 1.00 0.00 N ATOM 1282 CA VAL A 91 5.664 -5.371 -6.604 1.00 0.00 C ATOM 1283 C VAL A 91 5.033 -4.063 -7.086 1.00 0.00 C ATOM 1284 O VAL A 91 5.595 -2.988 -6.887 1.00 0.00 O ATOM 1285 CB VAL A 91 5.515 -5.586 -5.096 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.059 -5.876 -4.725 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.438 -6.703 -4.607 1.00 0.00 C ATOM 0 H VAL A 91 7.660 -4.754 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 91 5.131 -6.188 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 91 5.811 -4.664 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.981 -6.025 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.433 -5.034 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.724 -6.776 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.312 -6.835 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.187 -7.632 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.474 -6.439 -4.821 1.00 0.00 H new ATOM 1297 N THR A 92 3.873 -4.200 -7.712 1.00 0.00 N ATOM 1298 CA THR A 92 3.159 -3.043 -8.225 1.00 0.00 C ATOM 1299 C THR A 92 2.034 -2.643 -7.268 1.00 0.00 C ATOM 1300 O THR A 92 0.964 -3.250 -7.275 1.00 0.00 O ATOM 1301 CB THR A 92 2.668 -3.377 -9.635 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.864 -3.619 -10.371 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.036 -2.172 -10.336 1.00 0.00 C ATOM 0 H THR A 92 3.410 -5.094 -7.875 1.00 0.00 H new ATOM 0 HA THR A 92 3.812 -2.173 -8.291 1.00 0.00 H new ATOM 0 HB THR A 92 1.942 -4.189 -9.584 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.638 -3.845 -11.297 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.705 -2.463 -11.333 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.181 -1.822 -9.757 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.771 -1.372 -10.418 1.00 0.00 H new ATOM 1311 N ILE A 93 2.314 -1.625 -6.468 1.00 0.00 N ATOM 1312 CA ILE A 93 1.339 -1.137 -5.508 1.00 0.00 C ATOM 1313 C ILE A 93 0.607 0.069 -6.099 1.00 0.00 C ATOM 1314 O ILE A 93 1.183 1.149 -6.225 1.00 0.00 O ATOM 1315 CB ILE A 93 2.008 -0.852 -4.162 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.602 -2.129 -3.563 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.036 -0.166 -3.201 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.071 -2.289 -3.960 1.00 0.00 C ATOM 0 H ILE A 93 3.203 -1.124 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 93 0.587 -1.900 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 93 2.834 -0.162 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.516 -2.099 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.033 -2.994 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.537 0.025 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.703 0.778 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.174 -0.812 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.469 -3.204 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.151 -2.343 -5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.641 -1.434 -3.596 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.652 -0.154 -6.445 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.469 0.902 -7.020 1.00 0.00 C ATOM 1332 C VAL A 94 -2.308 1.549 -5.916 1.00 0.00 C ATOM 1333 O VAL A 94 -3.326 0.997 -5.501 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.316 0.343 -8.165 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -2.965 1.473 -8.968 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.482 -0.565 -9.072 1.00 0.00 C ATOM 0 H VAL A 94 -1.127 -1.050 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.840 1.682 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.113 -0.260 -7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.562 1.049 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.607 2.062 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.189 2.113 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.108 -0.949 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.655 0.005 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.088 -1.398 -8.490 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.851 2.711 -5.473 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.546 3.439 -4.426 1.00 0.00 C ATOM 1348 C ALA A 95 -2.825 4.866 -4.903 1.00 0.00 C ATOM 1349 O ALA A 95 -2.071 5.415 -5.704 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.716 3.405 -3.142 1.00 0.00 C ATOM 0 H ALA A 95 -1.007 3.166 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.505 2.971 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.238 3.952 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.571 2.371 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.746 3.868 -3.323 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.911 5.426 -4.389 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.298 6.779 -4.751 1.00 0.00 C ATOM 1358 C GLN A 96 -4.101 7.723 -3.564 1.00 0.00 C ATOM 1359 O GLN A 96 -4.541 7.431 -2.454 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.744 6.819 -5.251 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.725 6.919 -4.081 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.164 7.061 -4.583 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.914 7.924 -4.158 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.504 6.169 -5.509 1.00 0.00 N ATOM 0 H GLN A 96 -4.535 4.967 -3.725 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.657 7.115 -5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.879 7.671 -5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.956 5.922 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.641 6.031 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.467 7.775 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.826 5.473 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.443 6.181 -5.908 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.440 8.838 -3.839 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.179 9.828 -2.808 1.00 0.00 C ATOM 1375 C TYR A 97 -4.486 10.383 -2.239 1.00 0.00 C ATOM 1376 O TYR A 97 -5.068 11.310 -2.801 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.413 10.961 -3.494 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.462 11.719 -2.567 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.788 11.895 -1.238 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.278 12.228 -3.061 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.892 12.609 -0.365 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.618 12.943 -2.188 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.266 13.098 -0.883 1.00 0.00 C ATOM 1384 OH TYR A 97 1.112 13.772 -0.059 1.00 0.00 O ATOM 0 H TYR A 97 -3.077 9.078 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.620 9.385 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.841 10.548 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.129 11.665 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.715 11.497 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.023 12.090 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.135 12.753 0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.548 13.347 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 97 1.899 14.063 -0.565 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.910 9.794 -1.130 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.137 10.218 -0.479 1.00 0.00 C ATOM 1396 C ARG A 98 -5.889 10.466 1.011 1.00 0.00 C ATOM 1397 O ARG A 98 -6.113 9.582 1.836 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.237 9.167 -0.638 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.621 9.787 -0.438 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.599 9.303 -1.511 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.968 9.769 -1.196 1.00 0.00 N ATOM 1402 CZ ARG A 98 -12.083 9.212 -1.687 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.998 8.165 -2.519 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -13.283 9.701 -1.346 1.00 0.00 N ATOM 0 H ARG A 98 -4.425 9.026 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.463 11.143 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.176 8.718 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.086 8.365 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.001 9.526 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.545 10.874 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.294 9.678 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.580 8.215 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.069 10.564 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.085 7.792 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.847 7.741 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.348 10.498 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.132 9.277 -1.720 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.418 11.705 1.316 1.00 0.00 N ATOM 1419 CA PRO A 99 -5.138 12.080 2.692 1.00 0.00 C ATOM 1420 C PRO A 99 -6.432 12.344 3.463 1.00 0.00 C ATOM 1421 O PRO A 99 -6.438 12.338 4.693 1.00 0.00 O ATOM 1422 CB PRO A 99 -4.246 13.307 2.591 1.00 0.00 C ATOM 1423 CG PRO A 99 -4.439 13.848 1.183 1.00 0.00 C ATOM 1424 CD PRO A 99 -5.142 12.777 0.365 1.00 0.00 C ATOM 0 HA PRO A 99 -4.641 11.287 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.521 14.053 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.203 13.047 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.031 14.763 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.478 14.100 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.061 13.158 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.513 12.428 -0.454 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.498 12.569 2.709 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.795 12.835 3.306 1.00 0.00 C ATOM 1434 C GLU A 100 -9.253 11.634 4.137 1.00 0.00 C ATOM 1435 O GLU A 100 -9.738 11.797 5.255 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.830 13.187 2.236 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.849 14.196 2.769 1.00 0.00 C ATOM 1438 CD GLU A 100 -11.749 14.713 1.645 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -11.222 14.868 0.523 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.944 14.942 1.934 1.00 0.00 O ATOM 0 H GLU A 100 -7.490 12.572 1.689 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.698 13.695 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.328 13.600 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.344 12.283 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.459 13.728 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.328 15.032 3.236 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.082 10.455 3.558 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.471 9.227 4.231 1.00 0.00 C ATOM 1449 C GLU A 101 -8.556 8.965 5.428 1.00 0.00 C ATOM 1450 O GLU A 101 -9.015 8.924 6.568 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.459 8.043 3.262 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.876 7.699 2.799 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.358 6.394 3.437 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.323 6.325 4.684 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -11.752 5.495 2.662 1.00 0.00 O ATOM 0 H GLU A 101 -8.679 10.324 2.630 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.491 9.344 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.838 8.282 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.011 7.176 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.556 8.510 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.896 7.606 1.713 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.276 8.794 5.128 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.292 8.537 6.166 1.00 0.00 C ATOM 1464 C TYR A 102 -6.617 9.325 7.437 1.00 0.00 C ATOM 1465 O TYR A 102 -6.394 8.842 8.546 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.953 9.023 5.607 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.737 8.538 6.398 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.486 7.187 6.520 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.890 9.453 6.990 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.341 6.731 7.264 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.744 8.997 7.735 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.527 7.659 7.835 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.445 7.228 8.538 1.00 0.00 O ATOM 0 H TYR A 102 -6.898 8.828 4.181 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.277 7.479 6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.859 8.688 4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.952 10.113 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.149 6.471 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.086 10.511 6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.133 5.676 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.073 9.702 8.203 1.00 0.00 H new ATOM 0 HH TYR A 102 0.046 8.000 8.888 1.00 0.00 H new ATOM 1483 N SER A 103 -7.138 10.526 7.233 1.00 0.00 N ATOM 1484 CA SER A 103 -7.496 11.386 8.348 1.00 0.00 C ATOM 1485 C SER A 103 -8.114 10.554 9.474 1.00 0.00 C ATOM 1486 O SER A 103 -7.910 10.847 10.651 1.00 0.00 O ATOM 1487 CB SER A 103 -8.464 12.486 7.908 1.00 0.00 C ATOM 1488 OG SER A 103 -8.476 13.582 8.818 1.00 0.00 O ATOM 0 H SER A 103 -7.321 10.924 6.312 1.00 0.00 H new ATOM 0 HA SER A 103 -6.588 11.865 8.715 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.183 12.841 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.469 12.073 7.825 1.00 0.00 H new ATOM 0 HG SER A 103 -9.105 14.263 8.501 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.856 9.532 9.072 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.505 8.656 10.031 1.00 0.00 C ATOM 1496 C ARG A 104 -8.464 8.006 10.946 1.00 0.00 C ATOM 1497 O ARG A 104 -8.599 8.040 12.168 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.306 7.561 9.324 1.00 0.00 C ATOM 1499 CG ARG A 104 -11.632 7.301 10.041 1.00 0.00 C ATOM 1500 CD ARG A 104 -12.618 6.574 9.124 1.00 0.00 C ATOM 1501 NE ARG A 104 -13.920 6.411 9.809 1.00 0.00 N ATOM 1502 CZ ARG A 104 -14.912 5.629 9.361 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -14.757 4.935 8.226 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -16.059 5.543 10.048 1.00 0.00 N ATOM 0 H ARG A 104 -9.022 9.292 8.095 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.188 9.264 10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.498 7.855 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.721 6.642 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.455 6.705 10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.064 8.247 10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.752 7.137 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.219 5.598 8.847 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.072 6.926 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.884 5.002 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.512 4.340 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.177 6.073 10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.814 4.948 9.707 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.449 7.431 10.319 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.386 6.775 11.060 1.00 0.00 C ATOM 1520 C PHE A 105 -5.507 7.799 11.781 1.00 0.00 C ATOM 1521 O PHE A 105 -5.022 7.541 12.882 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.533 6.016 10.042 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.302 4.954 9.254 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.963 3.965 9.913 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.324 4.999 7.895 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.677 2.979 9.181 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.039 4.013 7.164 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.700 3.024 7.822 1.00 0.00 C ATOM 0 H PHE A 105 -7.340 7.406 9.305 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.812 6.109 11.811 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.100 6.730 9.342 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.704 5.537 10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.945 3.929 10.992 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.798 5.784 7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.202 2.193 9.704 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.057 4.049 6.085 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.243 2.274 7.266 1.00 0.00 H new ATOM 1538 N GLU A 106 -5.330 8.941 11.132 1.00 0.00 N ATOM 1539 CA GLU A 106 -4.519 10.005 11.697 1.00 0.00 C ATOM 1540 C GLU A 106 -5.054 10.406 13.073 1.00 0.00 C ATOM 1541 O GLU A 106 -4.294 10.494 14.037 1.00 0.00 O ATOM 1542 CB GLU A 106 -4.464 11.211 10.757 1.00 0.00 C ATOM 1543 CG GLU A 106 -3.205 11.173 9.889 1.00 0.00 C ATOM 1544 CD GLU A 106 -2.025 11.832 10.605 1.00 0.00 C ATOM 1545 OE1 GLU A 106 -2.242 12.928 11.167 1.00 0.00 O ATOM 1546 OE2 GLU A 106 -0.933 11.226 10.576 1.00 0.00 O ATOM 0 H GLU A 106 -5.735 9.152 10.220 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.501 9.634 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.349 11.221 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.480 12.132 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.957 10.140 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.394 11.685 8.945 1.00 0.00 H new ATOM 1553 N SER A 107 -6.357 10.639 13.122 1.00 0.00 N ATOM 1554 CA SER A 107 -7.002 11.029 14.364 1.00 0.00 C ATOM 1555 C SER A 107 -7.128 9.818 15.291 1.00 0.00 C ATOM 1556 O SER A 107 -6.604 9.826 16.403 1.00 0.00 O ATOM 1557 CB SER A 107 -8.379 11.641 14.101 1.00 0.00 C ATOM 1558 OG SER A 107 -8.643 12.749 14.957 1.00 0.00 O ATOM 0 H SER A 107 -6.984 10.565 12.321 1.00 0.00 H new ATOM 0 HA SER A 107 -6.384 11.786 14.847 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.440 11.963 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.147 10.881 14.245 1.00 0.00 H new ATOM 0 HG SER A 107 -9.531 13.113 14.757 1.00 0.00 H new ATOM 1564 N SER A 108 -7.826 8.805 14.797 1.00 0.00 N ATOM 1565 CA SER A 108 -8.027 7.590 15.567 1.00 0.00 C ATOM 1566 C SER A 108 -8.617 7.930 16.937 1.00 0.00 C ATOM 1567 O SER A 108 -7.888 8.285 17.861 1.00 0.00 O ATOM 1568 CB SER A 108 -6.716 6.818 15.731 1.00 0.00 C ATOM 1569 OG SER A 108 -6.613 5.738 14.808 1.00 0.00 O ATOM 0 H SER A 108 -8.259 8.801 13.873 1.00 0.00 H new ATOM 0 HA SER A 108 -8.727 6.954 15.025 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.875 7.497 15.589 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.647 6.433 16.748 1.00 0.00 H new ATOM 0 HG SER A 108 -6.100 6.025 14.024 1.00 0.00 H new ATOM 1575 N GLY A 109 -9.934 7.808 17.025 1.00 0.00 N ATOM 1576 CA GLY A 109 -10.631 8.098 18.266 1.00 0.00 C ATOM 1577 C GLY A 109 -11.410 6.875 18.756 1.00 0.00 C ATOM 1578 O GLY A 109 -11.308 5.796 18.175 1.00 0.00 O ATOM 0 H GLY A 109 -10.536 7.512 16.257 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.914 8.406 19.027 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.315 8.933 18.117 1.00 0.00 H new ATOM 1582 N PRO A 110 -12.191 7.091 19.848 1.00 0.00 N ATOM 1583 CA PRO A 110 -12.986 6.020 20.423 1.00 0.00 C ATOM 1584 C PRO A 110 -14.215 5.726 19.560 1.00 0.00 C ATOM 1585 O PRO A 110 -14.451 4.580 19.179 1.00 0.00 O ATOM 1586 CB PRO A 110 -13.344 6.501 21.820 1.00 0.00 C ATOM 1587 CG PRO A 110 -13.132 8.006 21.809 1.00 0.00 C ATOM 1588 CD PRO A 110 -12.337 8.356 20.562 1.00 0.00 C ATOM 0 HA PRO A 110 -12.447 5.074 20.468 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -14.377 6.254 22.066 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -12.715 6.023 22.571 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -14.090 8.526 21.810 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.597 8.323 22.704 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -12.859 9.096 19.955 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -11.366 8.781 20.818 1.00 0.00 H new ATOM 1596 N SER A 111 -14.966 6.780 19.276 1.00 0.00 N ATOM 1597 CA SER A 111 -16.164 6.649 18.465 1.00 0.00 C ATOM 1598 C SER A 111 -16.771 8.029 18.202 1.00 0.00 C ATOM 1599 O SER A 111 -16.363 9.017 18.810 1.00 0.00 O ATOM 1600 CB SER A 111 -17.190 5.738 19.141 1.00 0.00 C ATOM 1601 OG SER A 111 -17.834 4.875 18.209 1.00 0.00 O ATOM 0 H SER A 111 -14.768 7.729 19.593 1.00 0.00 H new ATOM 0 HA SER A 111 -15.885 6.194 17.514 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.695 5.140 19.906 1.00 0.00 H new ATOM 0 HB3 SER A 111 -17.938 6.348 19.647 1.00 0.00 H new ATOM 0 HG SER A 111 -18.480 4.309 18.680 1.00 0.00 H new ATOM 1607 N SER A 112 -17.737 8.052 17.295 1.00 0.00 N ATOM 1608 CA SER A 112 -18.404 9.294 16.944 1.00 0.00 C ATOM 1609 C SER A 112 -19.630 9.002 16.077 1.00 0.00 C ATOM 1610 O SER A 112 -20.750 9.362 16.437 1.00 0.00 O ATOM 1611 CB SER A 112 -17.452 10.244 16.215 1.00 0.00 C ATOM 1612 OG SER A 112 -17.095 11.364 17.021 1.00 0.00 O ATOM 0 H SER A 112 -18.073 7.230 16.793 1.00 0.00 H new ATOM 0 HA SER A 112 -18.725 9.782 17.864 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.551 9.703 15.926 1.00 0.00 H new ATOM 0 HB3 SER A 112 -17.922 10.594 15.296 1.00 0.00 H new ATOM 0 HG SER A 112 -16.736 11.050 17.877 1.00 0.00 H new ATOM 1618 N GLY A 113 -19.377 8.353 14.950 1.00 0.00 N ATOM 1619 CA GLY A 113 -20.446 8.009 14.028 1.00 0.00 C ATOM 1620 C GLY A 113 -19.938 7.086 12.918 1.00 0.00 C ATOM 1621 O GLY A 113 -19.398 6.016 13.195 1.00 0.00 O ATOM 0 H GLY A 113 -18.447 8.056 14.654 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -21.255 7.520 14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -20.859 8.917 13.590 1.00 0.00 H new TER 1625 GLY A 113