USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 787 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot -1:sc= 0.856 USER MOD Set 1.2: A 70 THR OG1 : rot 67:sc= 0.719 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0852 (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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 34:sc= 1.02 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.25 X(o=-1.3,f=-0.85) USER MOD Single : A 23 THR OG1 : rot 154:sc= 0.0051 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -165:sc= -0.204 (180deg=-0.694) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0414) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -137:sc= -4.88 (180deg=-8.54!) USER MOD Single : A 77 SER OG : rot -66:sc= 0.645 USER MOD Single : A 78 SER OG : rot -104:sc= -1.02 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 88:sc= 0.643 USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -0.749 (180deg=-3.4!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=-0.49) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -5:sc= 0.192! USER MOD Single : A 107 SER OG : rot 180:sc=-0.00974 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 55.904 0.101 28.390 1.00 0.00 N ATOM 2 CA GLY A 1 54.624 -0.093 27.734 1.00 0.00 C ATOM 3 C GLY A 1 54.165 -1.536 27.776 1.00 0.00 C ATOM 4 O GLY A 1 54.945 -2.435 28.090 1.00 0.00 O ATOM 0 H1 GLY A 1 55.786 0.747 29.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 56.262 -0.814 28.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 56.582 0.509 27.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 53.875 0.538 28.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 54.698 0.232 26.696 1.00 0.00 H new ATOM 8 N SER A 2 52.893 -1.761 27.460 1.00 0.00 N ATOM 9 CA SER A 2 52.329 -3.105 27.467 1.00 0.00 C ATOM 10 C SER A 2 51.141 -3.202 26.515 1.00 0.00 C ATOM 11 O SER A 2 50.466 -2.209 26.245 1.00 0.00 O ATOM 12 CB SER A 2 51.894 -3.490 28.883 1.00 0.00 C ATOM 13 OG SER A 2 50.957 -2.562 29.399 1.00 0.00 O ATOM 0 H SER A 2 52.234 -1.029 27.196 1.00 0.00 H new ATOM 0 HA SER A 2 53.100 -3.797 27.129 1.00 0.00 H new ATOM 0 HB2 SER A 2 51.455 -4.488 28.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.766 -3.532 29.536 1.00 0.00 H new ATOM 0 HG SER A 2 50.694 -2.832 30.304 1.00 0.00 H new ATOM 19 N SER A 3 50.893 -4.405 26.008 1.00 0.00 N ATOM 20 CA SER A 3 49.790 -4.632 25.082 1.00 0.00 C ATOM 21 C SER A 3 49.136 -5.987 25.338 1.00 0.00 C ATOM 22 O SER A 3 49.769 -6.907 25.853 1.00 0.00 O ATOM 23 CB SER A 3 50.285 -4.557 23.637 1.00 0.00 C ATOM 24 OG SER A 3 49.225 -4.246 22.750 1.00 0.00 O ATOM 0 H SER A 3 51.441 -5.238 26.223 1.00 0.00 H new ATOM 0 HA SER A 3 49.046 -3.852 25.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 51.065 -3.800 23.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 50.733 -5.509 23.353 1.00 0.00 H new ATOM 0 HG SER A 3 49.568 -4.202 21.833 1.00 0.00 H new ATOM 30 N GLY A 4 47.862 -6.101 24.974 1.00 0.00 N ATOM 31 CA GLY A 4 47.142 -7.345 25.171 1.00 0.00 C ATOM 32 C GLY A 4 45.754 -7.315 24.563 1.00 0.00 C ATOM 33 O GLY A 4 45.092 -6.277 24.562 1.00 0.00 O ATOM 0 H GLY A 4 47.316 -5.353 24.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.711 -8.164 24.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.063 -7.550 26.239 1.00 0.00 H new ATOM 37 N SER A 5 45.313 -8.456 24.043 1.00 0.00 N ATOM 38 CA SER A 5 43.996 -8.555 23.424 1.00 0.00 C ATOM 39 C SER A 5 42.930 -8.887 24.464 1.00 0.00 C ATOM 40 O SER A 5 43.242 -9.165 25.622 1.00 0.00 O ATOM 41 CB SER A 5 44.004 -9.620 22.326 1.00 0.00 C ATOM 42 OG SER A 5 44.716 -9.172 21.186 1.00 0.00 O ATOM 0 H SER A 5 45.848 -9.324 24.038 1.00 0.00 H new ATOM 0 HA SER A 5 43.757 -7.589 22.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 44.458 -10.535 22.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 42.980 -9.865 22.046 1.00 0.00 H new ATOM 0 HG SER A 5 44.708 -9.871 20.500 1.00 0.00 H new ATOM 48 N SER A 6 41.670 -8.857 24.041 1.00 0.00 N ATOM 49 CA SER A 6 40.557 -9.152 24.935 1.00 0.00 C ATOM 50 C SER A 6 39.630 -10.198 24.323 1.00 0.00 C ATOM 51 O SER A 6 38.454 -10.282 24.673 1.00 0.00 O ATOM 52 CB SER A 6 39.771 -7.875 25.243 1.00 0.00 C ATOM 53 OG SER A 6 39.835 -6.964 24.160 1.00 0.00 O ATOM 0 H SER A 6 41.395 -8.631 23.085 1.00 0.00 H new ATOM 0 HA SER A 6 40.965 -9.553 25.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 38.731 -8.126 25.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 40.171 -7.405 26.142 1.00 0.00 H new ATOM 0 HG SER A 6 39.324 -6.157 24.380 1.00 0.00 H new ATOM 59 N GLY A 7 40.171 -10.994 23.405 1.00 0.00 N ATOM 60 CA GLY A 7 39.380 -12.024 22.758 1.00 0.00 C ATOM 61 C GLY A 7 38.280 -11.449 21.887 1.00 0.00 C ATOM 62 O GLY A 7 37.521 -10.584 22.325 1.00 0.00 O ATOM 0 H GLY A 7 41.142 -10.944 23.098 1.00 0.00 H new ATOM 0 HA2 GLY A 7 40.032 -12.650 22.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 38.938 -12.669 23.517 1.00 0.00 H new ATOM 66 N ASP A 8 38.194 -11.928 20.651 1.00 0.00 N ATOM 67 CA ASP A 8 37.180 -11.456 19.717 1.00 0.00 C ATOM 68 C ASP A 8 37.052 -12.404 18.528 1.00 0.00 C ATOM 69 O ASP A 8 38.046 -12.940 18.039 1.00 0.00 O ATOM 70 CB ASP A 8 37.522 -10.048 19.227 1.00 0.00 C ATOM 71 CG ASP A 8 38.588 -10.053 18.149 1.00 0.00 C ATOM 72 OD1 ASP A 8 38.247 -10.329 16.980 1.00 0.00 O ATOM 73 OD2 ASP A 8 39.763 -9.782 18.474 1.00 0.00 O ATOM 0 H ASP A 8 38.815 -12.643 20.273 1.00 0.00 H new ATOM 0 HA ASP A 8 36.225 -11.428 20.241 1.00 0.00 H new ATOM 0 HB2 ASP A 8 36.621 -9.572 18.840 1.00 0.00 H new ATOM 0 HB3 ASP A 8 37.864 -9.446 20.069 1.00 0.00 H new ATOM 78 N LYS A 9 35.821 -12.606 18.070 1.00 0.00 N ATOM 79 CA LYS A 9 35.562 -13.489 16.939 1.00 0.00 C ATOM 80 C LYS A 9 34.119 -13.354 16.462 1.00 0.00 C ATOM 81 O LYS A 9 33.182 -13.462 17.253 1.00 0.00 O ATOM 82 CB LYS A 9 35.848 -14.943 17.324 1.00 0.00 C ATOM 83 CG LYS A 9 35.018 -15.437 18.495 1.00 0.00 C ATOM 84 CD LYS A 9 35.239 -16.918 18.751 1.00 0.00 C ATOM 85 CE LYS A 9 34.788 -17.316 20.148 1.00 0.00 C ATOM 86 NZ LYS A 9 33.330 -17.615 20.196 1.00 0.00 N ATOM 0 H LYS A 9 34.987 -12.170 18.465 1.00 0.00 H new ATOM 0 HA LYS A 9 36.225 -13.198 16.124 1.00 0.00 H new ATOM 0 HB2 LYS A 9 35.660 -15.582 16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 9 36.905 -15.043 17.571 1.00 0.00 H new ATOM 0 HG2 LYS A 9 35.276 -14.870 19.389 1.00 0.00 H new ATOM 0 HG3 LYS A 9 33.962 -15.255 18.296 1.00 0.00 H new ATOM 0 HD2 LYS A 9 34.692 -17.502 18.011 1.00 0.00 H new ATOM 0 HD3 LYS A 9 36.295 -17.156 18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 35.349 -18.191 20.475 1.00 0.00 H new ATOM 0 HE3 LYS A 9 35.017 -16.511 20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 33.062 -17.882 21.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.793 -16.772 19.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 33.115 -18.400 19.549 1.00 0.00 H new ATOM 100 N ILE A 10 33.949 -13.117 15.166 1.00 0.00 N ATOM 101 CA ILE A 10 32.620 -12.970 14.585 1.00 0.00 C ATOM 102 C ILE A 10 32.511 -13.723 13.264 1.00 0.00 C ATOM 103 O ILE A 10 33.411 -13.662 12.427 1.00 0.00 O ATOM 104 CB ILE A 10 32.271 -11.489 14.348 1.00 0.00 C ATOM 105 CG1 ILE A 10 32.353 -10.707 15.661 1.00 0.00 C ATOM 106 CG2 ILE A 10 30.883 -11.363 13.737 1.00 0.00 C ATOM 107 CD1 ILE A 10 33.750 -10.230 15.994 1.00 0.00 C ATOM 0 H ILE A 10 34.714 -13.023 14.498 1.00 0.00 H new ATOM 0 HA ILE A 10 31.914 -13.392 15.300 1.00 0.00 H new ATOM 0 HB ILE A 10 32.994 -11.068 13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.688 -9.846 15.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 31.990 -11.337 16.473 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.651 -10.310 13.575 1.00 0.00 H new ATOM 0 HG22 ILE A 10 30.856 -11.891 12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 10 30.147 -11.797 14.413 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.733 -9.684 16.937 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.416 -11.088 16.084 1.00 0.00 H new ATOM 0 HD13 ILE A 10 34.109 -9.574 15.201 1.00 0.00 H new ATOM 119 N GLU A 11 31.402 -14.433 13.083 1.00 0.00 N ATOM 120 CA GLU A 11 31.175 -15.197 11.862 1.00 0.00 C ATOM 121 C GLU A 11 29.704 -15.581 11.726 1.00 0.00 C ATOM 122 O GLU A 11 28.974 -15.645 12.715 1.00 0.00 O ATOM 123 CB GLU A 11 32.044 -16.456 11.854 1.00 0.00 C ATOM 124 CG GLU A 11 31.768 -17.395 13.016 1.00 0.00 C ATOM 125 CD GLU A 11 30.675 -18.400 12.707 1.00 0.00 C ATOM 126 OE1 GLU A 11 30.850 -19.192 11.757 1.00 0.00 O ATOM 127 OE2 GLU A 11 29.645 -18.394 13.413 1.00 0.00 O ATOM 0 H GLU A 11 30.647 -14.495 13.766 1.00 0.00 H new ATOM 0 HA GLU A 11 31.449 -14.569 11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 31.883 -16.992 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 11 33.094 -16.163 11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 11 32.684 -17.927 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 11 31.482 -16.811 13.891 1.00 0.00 H new ATOM 134 N SER A 12 29.277 -15.835 10.493 1.00 0.00 N ATOM 135 CA SER A 12 27.893 -16.208 10.226 1.00 0.00 C ATOM 136 C SER A 12 27.758 -16.840 8.844 1.00 0.00 C ATOM 137 O SER A 12 28.665 -16.752 8.016 1.00 0.00 O ATOM 138 CB SER A 12 26.983 -14.982 10.329 1.00 0.00 C ATOM 139 OG SER A 12 26.594 -14.748 11.672 1.00 0.00 O ATOM 0 H SER A 12 29.869 -15.789 9.664 1.00 0.00 H new ATOM 0 HA SER A 12 27.590 -16.941 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.502 -14.106 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.097 -15.129 9.711 1.00 0.00 H new ATOM 0 HG SER A 12 27.323 -15.008 12.274 1.00 0.00 H new ATOM 145 N LYS A 13 26.618 -17.477 8.601 1.00 0.00 N ATOM 146 CA LYS A 13 26.360 -18.124 7.319 1.00 0.00 C ATOM 147 C LYS A 13 24.940 -17.839 6.841 1.00 0.00 C ATOM 148 O LYS A 13 24.070 -17.473 7.632 1.00 0.00 O ATOM 149 CB LYS A 13 26.577 -19.635 7.435 1.00 0.00 C ATOM 150 CG LYS A 13 25.627 -20.313 8.407 1.00 0.00 C ATOM 151 CD LYS A 13 26.196 -20.341 9.815 1.00 0.00 C ATOM 152 CE LYS A 13 25.137 -20.725 10.837 1.00 0.00 C ATOM 153 NZ LYS A 13 24.943 -22.200 10.908 1.00 0.00 N ATOM 0 H LYS A 13 25.857 -17.559 9.275 1.00 0.00 H new ATOM 0 HA LYS A 13 27.059 -17.717 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.460 -20.087 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.603 -19.823 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.672 -19.788 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.429 -21.332 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.022 -21.051 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.604 -19.361 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.426 -20.349 11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 24.192 -20.247 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.213 -22.421 11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.642 -22.556 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.838 -22.655 11.180 1.00 0.00 H new ATOM 167 N LEU A 14 24.713 -18.009 5.543 1.00 0.00 N ATOM 168 CA LEU A 14 23.397 -17.771 4.960 1.00 0.00 C ATOM 169 C LEU A 14 23.349 -18.250 3.513 1.00 0.00 C ATOM 170 O LEU A 14 23.956 -17.647 2.627 1.00 0.00 O ATOM 171 CB LEU A 14 23.049 -16.283 5.028 1.00 0.00 C ATOM 172 CG LEU A 14 21.561 -15.937 4.949 1.00 0.00 C ATOM 173 CD1 LEU A 14 21.329 -14.485 5.337 1.00 0.00 C ATOM 174 CD2 LEU A 14 21.024 -16.211 3.552 1.00 0.00 C ATOM 0 H LEU A 14 25.422 -18.310 4.875 1.00 0.00 H new ATOM 0 HA LEU A 14 22.664 -18.336 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 14 23.446 -15.880 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 14 23.564 -15.772 4.214 1.00 0.00 H new ATOM 0 HG LEU A 14 21.022 -16.570 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.265 -14.257 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.676 -14.321 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.880 -13.834 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.964 -15.959 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.567 -15.604 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.155 -17.266 3.312 1.00 0.00 H new ATOM 186 N LEU A 15 22.621 -19.337 3.279 1.00 0.00 N ATOM 187 CA LEU A 15 22.491 -19.897 1.938 1.00 0.00 C ATOM 188 C LEU A 15 21.042 -19.843 1.464 1.00 0.00 C ATOM 189 O LEU A 15 20.250 -20.739 1.754 1.00 0.00 O ATOM 190 CB LEU A 15 22.993 -21.342 1.917 1.00 0.00 C ATOM 191 CG LEU A 15 24.488 -21.529 1.653 1.00 0.00 C ATOM 192 CD1 LEU A 15 24.872 -20.930 0.310 1.00 0.00 C ATOM 193 CD2 LEU A 15 25.309 -20.906 2.772 1.00 0.00 C ATOM 0 H LEU A 15 22.112 -19.848 4.000 1.00 0.00 H new ATOM 0 HA LEU A 15 23.098 -19.298 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.753 -21.803 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.438 -21.887 1.153 1.00 0.00 H new ATOM 0 HG LEU A 15 24.702 -22.598 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.939 -21.073 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.309 -21.423 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.644 -19.864 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.370 -21.049 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.091 -19.840 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.055 -21.383 3.719 1.00 0.00 H new ATOM 205 N ALA A 16 20.704 -18.787 0.731 1.00 0.00 N ATOM 206 CA ALA A 16 19.352 -18.618 0.213 1.00 0.00 C ATOM 207 C ALA A 16 19.256 -19.090 -1.234 1.00 0.00 C ATOM 208 O ALA A 16 19.419 -18.304 -2.167 1.00 0.00 O ATOM 209 CB ALA A 16 18.922 -17.163 0.325 1.00 0.00 C ATOM 0 H ALA A 16 21.348 -18.036 0.483 1.00 0.00 H new ATOM 0 HA ALA A 16 18.680 -19.231 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.910 -17.051 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.943 -16.857 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 19.604 -16.537 -0.250 1.00 0.00 H new ATOM 215 N LYS A 17 18.992 -20.380 -1.414 1.00 0.00 N ATOM 216 CA LYS A 17 18.873 -20.958 -2.747 1.00 0.00 C ATOM 217 C LYS A 17 17.745 -20.294 -3.530 1.00 0.00 C ATOM 218 O LYS A 17 17.781 -20.231 -4.759 1.00 0.00 O ATOM 219 CB LYS A 17 18.624 -22.465 -2.652 1.00 0.00 C ATOM 220 CG LYS A 17 17.216 -22.822 -2.209 1.00 0.00 C ATOM 221 CD LYS A 17 16.266 -22.911 -3.392 1.00 0.00 C ATOM 222 CE LYS A 17 14.956 -23.582 -3.006 1.00 0.00 C ATOM 223 NZ LYS A 17 14.014 -23.664 -4.156 1.00 0.00 N ATOM 0 H LYS A 17 18.856 -21.045 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 17 19.810 -20.783 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.816 -22.918 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.337 -22.899 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 17 17.230 -23.775 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.854 -22.072 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.065 -21.910 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.739 -23.471 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.159 -24.585 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.489 -23.026 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.134 -24.127 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.800 -22.706 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.449 -24.216 -4.922 1.00 0.00 H new ATOM 237 N LYS A 18 16.744 -19.799 -2.810 1.00 0.00 N ATOM 238 CA LYS A 18 15.605 -19.137 -3.436 1.00 0.00 C ATOM 239 C LYS A 18 15.675 -17.627 -3.234 1.00 0.00 C ATOM 240 O LYS A 18 15.730 -17.144 -2.103 1.00 0.00 O ATOM 241 CB LYS A 18 14.295 -19.679 -2.861 1.00 0.00 C ATOM 242 CG LYS A 18 14.225 -19.621 -1.345 1.00 0.00 C ATOM 243 CD LYS A 18 12.835 -19.965 -0.836 1.00 0.00 C ATOM 244 CE LYS A 18 12.538 -21.449 -0.987 1.00 0.00 C ATOM 245 NZ LYS A 18 11.125 -21.769 -0.642 1.00 0.00 N ATOM 0 H LYS A 18 16.698 -19.844 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 18 15.639 -19.345 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.463 -19.110 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.167 -20.713 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.951 -20.314 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.501 -18.623 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.750 -19.681 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.092 -19.386 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.740 -21.757 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.207 -22.021 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.962 -22.790 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.939 -21.498 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.486 -21.243 -1.272 1.00 0.00 H new ATOM 259 N ALA A 19 15.672 -16.886 -4.337 1.00 0.00 N ATOM 260 CA ALA A 19 15.732 -15.431 -4.280 1.00 0.00 C ATOM 261 C ALA A 19 14.628 -14.802 -5.124 1.00 0.00 C ATOM 262 O ALA A 19 14.844 -14.457 -6.285 1.00 0.00 O ATOM 263 CB ALA A 19 17.096 -14.940 -4.741 1.00 0.00 C ATOM 0 H ALA A 19 15.629 -17.270 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 19 15.580 -15.127 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.126 -13.851 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.869 -15.353 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 19 17.271 -15.263 -5.767 1.00 0.00 H new ATOM 269 N GLU A 20 13.446 -14.658 -4.533 1.00 0.00 N ATOM 270 CA GLU A 20 12.309 -14.073 -5.233 1.00 0.00 C ATOM 271 C GLU A 20 11.125 -13.888 -4.288 1.00 0.00 C ATOM 272 O GLU A 20 10.878 -14.718 -3.414 1.00 0.00 O ATOM 273 CB GLU A 20 11.899 -14.955 -6.414 1.00 0.00 C ATOM 274 CG GLU A 20 11.278 -16.278 -5.999 1.00 0.00 C ATOM 275 CD GLU A 20 10.736 -17.063 -7.178 1.00 0.00 C ATOM 276 OE1 GLU A 20 9.840 -16.544 -7.875 1.00 0.00 O ATOM 277 OE2 GLU A 20 11.208 -18.197 -7.402 1.00 0.00 O ATOM 0 H GLU A 20 13.251 -14.938 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 20 12.610 -13.095 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.189 -14.409 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.776 -15.152 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.025 -16.879 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.471 -16.090 -5.291 1.00 0.00 H new ATOM 284 N VAL A 21 10.396 -12.791 -4.470 1.00 0.00 N ATOM 285 CA VAL A 21 9.238 -12.496 -3.635 1.00 0.00 C ATOM 286 C VAL A 21 7.972 -13.122 -4.210 1.00 0.00 C ATOM 287 O VAL A 21 7.907 -13.436 -5.398 1.00 0.00 O ATOM 288 CB VAL A 21 9.025 -10.977 -3.488 1.00 0.00 C ATOM 289 CG1 VAL A 21 8.494 -10.384 -4.784 1.00 0.00 C ATOM 290 CG2 VAL A 21 8.082 -10.682 -2.331 1.00 0.00 C ATOM 0 H VAL A 21 10.587 -12.092 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 21 9.438 -12.925 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 21 9.987 -10.512 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.350 -9.311 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.209 -10.564 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.542 -10.851 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.942 -9.605 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.119 -11.159 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.508 -11.071 -1.406 1.00 0.00 H new ATOM 300 N ASN A 22 6.967 -13.300 -3.358 1.00 0.00 N ATOM 301 CA ASN A 22 5.702 -13.889 -3.781 1.00 0.00 C ATOM 302 C ASN A 22 4.711 -12.807 -4.201 1.00 0.00 C ATOM 303 O ASN A 22 4.074 -12.905 -5.250 1.00 0.00 O ATOM 304 CB ASN A 22 5.105 -14.732 -2.653 1.00 0.00 C ATOM 305 CG ASN A 22 5.360 -14.130 -1.284 1.00 0.00 C ATOM 306 OD1 ASN A 22 4.494 -13.464 -0.716 1.00 0.00 O ATOM 307 ND2 ASN A 22 6.552 -14.362 -0.749 1.00 0.00 N ATOM 0 H ASN A 22 7.004 -13.045 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 22 5.898 -14.530 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.031 -14.833 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.528 -15.736 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.781 -13.983 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.239 -14.920 -1.256 1.00 0.00 H new ATOM 314 N THR A 23 4.588 -11.773 -3.374 1.00 0.00 N ATOM 315 CA THR A 23 3.675 -10.672 -3.658 1.00 0.00 C ATOM 316 C THR A 23 4.426 -9.350 -3.767 1.00 0.00 C ATOM 317 O THR A 23 5.649 -9.308 -3.636 1.00 0.00 O ATOM 318 CB THR A 23 2.592 -10.546 -2.570 1.00 0.00 C ATOM 319 OG1 THR A 23 3.203 -10.367 -1.288 1.00 0.00 O ATOM 320 CG2 THR A 23 1.703 -11.781 -2.546 1.00 0.00 C ATOM 0 H THR A 23 5.109 -11.675 -2.503 1.00 0.00 H new ATOM 0 HA THR A 23 3.197 -10.895 -4.612 1.00 0.00 H new ATOM 0 HB THR A 23 1.975 -9.678 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.588 -9.884 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.946 -11.669 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.216 -11.898 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.310 -12.662 -2.337 1.00 0.00 H new ATOM 328 N ILE A 24 3.686 -8.273 -4.008 1.00 0.00 N ATOM 329 CA ILE A 24 4.282 -6.949 -4.133 1.00 0.00 C ATOM 330 C ILE A 24 5.183 -6.637 -2.942 1.00 0.00 C ATOM 331 O ILE A 24 4.838 -6.892 -1.788 1.00 0.00 O ATOM 332 CB ILE A 24 3.205 -5.855 -4.247 1.00 0.00 C ATOM 333 CG1 ILE A 24 2.021 -6.358 -5.076 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.793 -4.595 -4.865 1.00 0.00 C ATOM 335 CD1 ILE A 24 1.157 -5.248 -5.632 1.00 0.00 C ATOM 0 H ILE A 24 2.672 -8.292 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 24 4.878 -6.957 -5.045 1.00 0.00 H new ATOM 0 HB ILE A 24 2.847 -5.613 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.397 -6.963 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.406 -7.011 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.019 -3.831 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.607 -4.228 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.175 -4.822 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.338 -5.678 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.752 -4.657 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.758 -4.608 -6.278 1.00 0.00 H new ATOM 347 N PRO A 25 6.365 -6.071 -3.227 1.00 0.00 N ATOM 348 CA PRO A 25 7.339 -5.710 -2.193 1.00 0.00 C ATOM 349 C PRO A 25 6.871 -4.535 -1.341 1.00 0.00 C ATOM 350 O PRO A 25 7.557 -4.121 -0.407 1.00 0.00 O ATOM 351 CB PRO A 25 8.584 -5.325 -2.997 1.00 0.00 C ATOM 352 CG PRO A 25 8.060 -4.896 -4.324 1.00 0.00 C ATOM 353 CD PRO A 25 6.842 -5.740 -4.580 1.00 0.00 C ATOM 0 HA PRO A 25 7.505 -6.524 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.136 -4.521 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.268 -6.168 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.806 -3.836 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.807 -5.042 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.089 -5.196 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.087 -6.636 -5.150 1.00 0.00 H new ATOM 361 N GLY A 26 5.698 -4.002 -1.669 1.00 0.00 N ATOM 362 CA GLY A 26 5.159 -2.880 -0.923 1.00 0.00 C ATOM 363 C GLY A 26 4.173 -2.064 -1.735 1.00 0.00 C ATOM 364 O GLY A 26 3.634 -2.543 -2.734 1.00 0.00 O ATOM 0 H GLY A 26 5.112 -4.327 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.667 -3.249 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.977 -2.237 -0.598 1.00 0.00 H new ATOM 368 N PHE A 27 3.934 -0.829 -1.307 1.00 0.00 N ATOM 369 CA PHE A 27 3.004 0.054 -2.000 1.00 0.00 C ATOM 370 C PHE A 27 3.113 1.482 -1.471 1.00 0.00 C ATOM 371 O PHE A 27 3.338 1.698 -0.280 1.00 0.00 O ATOM 372 CB PHE A 27 1.569 -0.453 -1.839 1.00 0.00 C ATOM 373 CG PHE A 27 0.555 0.375 -2.574 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.595 0.477 -3.955 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.440 1.050 -1.885 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.337 1.239 -4.635 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.375 1.813 -2.558 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.324 1.907 -3.935 1.00 0.00 C ATOM 0 H PHE A 27 4.372 -0.417 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 27 3.265 0.056 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.513 -1.482 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.314 -0.469 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.363 -0.045 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.485 0.979 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.294 1.312 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.144 2.335 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.054 2.502 -4.464 1.00 0.00 H new ATOM 388 N ASP A 28 2.952 2.451 -2.365 1.00 0.00 N ATOM 389 CA ASP A 28 3.032 3.858 -1.990 1.00 0.00 C ATOM 390 C ASP A 28 1.834 4.633 -2.531 1.00 0.00 C ATOM 391 O ASP A 28 1.346 5.565 -1.893 1.00 0.00 O ATOM 392 CB ASP A 28 4.331 4.474 -2.511 1.00 0.00 C ATOM 393 CG ASP A 28 5.548 3.989 -1.748 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.410 3.676 -0.547 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.640 3.923 -2.352 1.00 0.00 O ATOM 0 H ASP A 28 2.765 2.288 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 28 3.021 3.920 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.447 4.231 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.269 5.560 -2.439 1.00 0.00 H new ATOM 400 N GLY A 29 1.367 4.241 -3.712 1.00 0.00 N ATOM 401 CA GLY A 29 0.231 4.911 -4.319 1.00 0.00 C ATOM 402 C GLY A 29 -0.844 5.260 -3.309 1.00 0.00 C ATOM 403 O GLY A 29 -1.678 4.423 -2.965 1.00 0.00 O ATOM 0 H GLY A 29 1.754 3.472 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.571 5.822 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.195 4.270 -5.091 1.00 0.00 H new ATOM 407 N VAL A 30 -0.824 6.501 -2.831 1.00 0.00 N ATOM 408 CA VAL A 30 -1.804 6.959 -1.854 1.00 0.00 C ATOM 409 C VAL A 30 -3.207 6.489 -2.220 1.00 0.00 C ATOM 410 O VAL A 30 -3.602 6.528 -3.386 1.00 0.00 O ATOM 411 CB VAL A 30 -1.804 8.495 -1.737 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.267 9.130 -3.039 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.679 8.941 -0.576 1.00 0.00 C ATOM 0 H VAL A 30 -0.140 7.206 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.519 6.528 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.784 8.827 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.260 10.215 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.595 8.837 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.278 8.793 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.667 10.029 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.701 8.599 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.297 8.516 0.352 1.00 0.00 H new ATOM 423 N VAL A 31 -3.957 6.044 -1.217 1.00 0.00 N ATOM 424 CA VAL A 31 -5.318 5.567 -1.433 1.00 0.00 C ATOM 425 C VAL A 31 -6.262 6.722 -1.748 1.00 0.00 C ATOM 426 O VAL A 31 -6.015 7.864 -1.359 1.00 0.00 O ATOM 427 CB VAL A 31 -5.848 4.807 -0.202 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.228 4.233 -0.483 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.877 3.708 0.203 1.00 0.00 C ATOM 0 H VAL A 31 -3.645 6.004 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.284 4.887 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.935 5.508 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.586 3.700 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.917 5.043 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.171 3.544 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.267 3.181 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.757 3.006 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.910 4.148 0.448 1.00 0.00 H new ATOM 439 N LYS A 32 -7.344 6.418 -2.455 1.00 0.00 N ATOM 440 CA LYS A 32 -8.328 7.430 -2.823 1.00 0.00 C ATOM 441 C LYS A 32 -9.580 7.309 -1.960 1.00 0.00 C ATOM 442 O LYS A 32 -10.206 8.311 -1.614 1.00 0.00 O ATOM 443 CB LYS A 32 -8.699 7.297 -4.301 1.00 0.00 C ATOM 444 CG LYS A 32 -7.516 7.450 -5.242 1.00 0.00 C ATOM 445 CD LYS A 32 -7.277 8.907 -5.603 1.00 0.00 C ATOM 446 CE LYS A 32 -6.537 9.641 -4.496 1.00 0.00 C ATOM 447 NZ LYS A 32 -5.717 10.765 -5.028 1.00 0.00 N ATOM 0 H LYS A 32 -7.563 5.478 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.884 8.411 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.159 6.323 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.448 8.049 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.622 7.039 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.695 6.874 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.702 8.964 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.232 9.398 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.255 10.026 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.893 8.941 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.228 11.240 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.015 10.395 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.335 11.446 -5.514 1.00 0.00 H new ATOM 461 N ASP A 33 -9.939 6.077 -1.616 1.00 0.00 N ATOM 462 CA ASP A 33 -11.116 5.826 -0.792 1.00 0.00 C ATOM 463 C ASP A 33 -11.042 4.447 -0.145 1.00 0.00 C ATOM 464 O ASP A 33 -10.361 3.552 -0.645 1.00 0.00 O ATOM 465 CB ASP A 33 -12.388 5.941 -1.633 1.00 0.00 C ATOM 466 CG ASP A 33 -12.253 5.266 -2.983 1.00 0.00 C ATOM 467 OD1 ASP A 33 -12.308 4.019 -3.031 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.092 5.984 -3.992 1.00 0.00 O ATOM 0 H ASP A 33 -9.432 5.237 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.143 6.577 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.221 5.496 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.629 6.994 -1.779 1.00 0.00 H new ATOM 473 N ALA A 34 -11.745 4.283 0.971 1.00 0.00 N ATOM 474 CA ALA A 34 -11.760 3.013 1.686 1.00 0.00 C ATOM 475 C ALA A 34 -11.821 1.838 0.716 1.00 0.00 C ATOM 476 O ALA A 34 -11.020 0.908 0.802 1.00 0.00 O ATOM 477 CB ALA A 34 -12.934 2.964 2.652 1.00 0.00 C ATOM 0 H ALA A 34 -12.312 5.015 1.400 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.833 2.934 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.932 2.010 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.846 3.777 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.866 3.070 2.097 1.00 0.00 H new ATOM 483 N GLU A 35 -12.777 1.887 -0.206 1.00 0.00 N ATOM 484 CA GLU A 35 -12.943 0.824 -1.191 1.00 0.00 C ATOM 485 C GLU A 35 -11.627 0.539 -1.910 1.00 0.00 C ATOM 486 O GLU A 35 -11.261 -0.617 -2.119 1.00 0.00 O ATOM 487 CB GLU A 35 -14.021 1.205 -2.209 1.00 0.00 C ATOM 488 CG GLU A 35 -15.357 1.556 -1.577 1.00 0.00 C ATOM 489 CD GLU A 35 -16.529 1.277 -2.498 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.534 1.808 -3.628 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.441 0.528 -2.089 1.00 0.00 O ATOM 0 H GLU A 35 -13.448 2.650 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.253 -0.079 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.671 2.055 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.163 0.376 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.480 0.986 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.359 2.611 -1.302 1.00 0.00 H new ATOM 498 N GLU A 36 -10.923 1.602 -2.287 1.00 0.00 N ATOM 499 CA GLU A 36 -9.649 1.466 -2.984 1.00 0.00 C ATOM 500 C GLU A 36 -8.600 0.825 -2.079 1.00 0.00 C ATOM 501 O GLU A 36 -7.796 0.007 -2.526 1.00 0.00 O ATOM 502 CB GLU A 36 -9.157 2.832 -3.466 1.00 0.00 C ATOM 503 CG GLU A 36 -7.870 2.766 -4.270 1.00 0.00 C ATOM 504 CD GLU A 36 -8.117 2.569 -5.753 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.503 1.448 -6.146 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.926 3.536 -6.519 1.00 0.00 O ATOM 0 H GLU A 36 -11.213 2.566 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.804 0.819 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.933 3.294 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.003 3.479 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.304 3.685 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.254 1.948 -3.896 1.00 0.00 H new ATOM 513 N ALA A 37 -8.615 1.204 -0.805 1.00 0.00 N ATOM 514 CA ALA A 37 -7.666 0.667 0.162 1.00 0.00 C ATOM 515 C ALA A 37 -7.858 -0.835 0.343 1.00 0.00 C ATOM 516 O ALA A 37 -6.901 -1.568 0.591 1.00 0.00 O ATOM 517 CB ALA A 37 -7.811 1.384 1.497 1.00 0.00 C ATOM 0 H ALA A 37 -9.274 1.880 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.659 0.835 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.096 0.973 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.617 2.448 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.823 1.245 1.877 1.00 0.00 H new ATOM 523 N VAL A 38 -9.102 -1.287 0.218 1.00 0.00 N ATOM 524 CA VAL A 38 -9.419 -2.702 0.367 1.00 0.00 C ATOM 525 C VAL A 38 -8.820 -3.523 -0.769 1.00 0.00 C ATOM 526 O VAL A 38 -8.165 -4.539 -0.537 1.00 0.00 O ATOM 527 CB VAL A 38 -10.941 -2.935 0.407 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.258 -4.419 0.302 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.537 -2.343 1.675 1.00 0.00 C ATOM 0 H VAL A 38 -9.906 -0.694 0.014 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.984 -3.025 1.313 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.390 -2.431 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.338 -4.563 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.866 -4.809 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.798 -4.949 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.613 -2.517 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.083 -2.817 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.342 -1.271 1.702 1.00 0.00 H new ATOM 539 N ARG A 39 -9.050 -3.075 -2.000 1.00 0.00 N ATOM 540 CA ARG A 39 -8.534 -3.768 -3.174 1.00 0.00 C ATOM 541 C ARG A 39 -7.011 -3.860 -3.125 1.00 0.00 C ATOM 542 O ARG A 39 -6.440 -4.941 -3.267 1.00 0.00 O ATOM 543 CB ARG A 39 -8.971 -3.049 -4.451 1.00 0.00 C ATOM 544 CG ARG A 39 -10.473 -3.076 -4.681 1.00 0.00 C ATOM 545 CD ARG A 39 -10.854 -2.352 -5.963 1.00 0.00 C ATOM 546 NE ARG A 39 -10.352 -3.039 -7.149 1.00 0.00 N ATOM 547 CZ ARG A 39 -10.145 -2.437 -8.315 1.00 0.00 C ATOM 548 NH1 ARG A 39 -10.396 -1.142 -8.450 1.00 0.00 N ATOM 549 NH2 ARG A 39 -9.686 -3.131 -9.349 1.00 0.00 N ATOM 0 H ARG A 39 -9.590 -2.235 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.943 -4.779 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.637 -2.012 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.473 -3.508 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.816 -4.109 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.980 -2.612 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.939 -2.270 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.458 -1.337 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.149 -4.036 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.749 -0.606 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.236 -0.682 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.492 -4.127 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.527 -2.668 -10.244 1.00 0.00 H new ATOM 563 N ILE A 40 -6.361 -2.719 -2.924 1.00 0.00 N ATOM 564 CA ILE A 40 -4.906 -2.671 -2.856 1.00 0.00 C ATOM 565 C ILE A 40 -4.373 -3.624 -1.791 1.00 0.00 C ATOM 566 O ILE A 40 -3.452 -4.400 -2.043 1.00 0.00 O ATOM 567 CB ILE A 40 -4.403 -1.247 -2.552 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.780 -0.296 -3.690 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.897 -1.253 -2.336 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.616 1.165 -3.335 1.00 0.00 C ATOM 0 H ILE A 40 -6.819 -1.815 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.535 -2.978 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.880 -0.896 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.164 -0.522 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.816 -0.478 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.556 -0.240 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.653 -1.903 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.402 -1.620 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.901 1.781 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.253 1.406 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.576 1.362 -3.077 1.00 0.00 H new ATOM 582 N ALA A 41 -4.962 -3.561 -0.601 1.00 0.00 N ATOM 583 CA ALA A 41 -4.549 -4.421 0.501 1.00 0.00 C ATOM 584 C ALA A 41 -4.577 -5.890 0.092 1.00 0.00 C ATOM 585 O ALA A 41 -3.581 -6.600 0.227 1.00 0.00 O ATOM 586 CB ALA A 41 -5.442 -4.192 1.712 1.00 0.00 C ATOM 0 H ALA A 41 -5.726 -2.924 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.523 -4.164 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.122 -4.841 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.369 -3.151 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.475 -4.420 1.451 1.00 0.00 H new ATOM 592 N ARG A 42 -5.723 -6.338 -0.409 1.00 0.00 N ATOM 593 CA ARG A 42 -5.881 -7.723 -0.836 1.00 0.00 C ATOM 594 C ARG A 42 -4.719 -8.152 -1.728 1.00 0.00 C ATOM 595 O ARG A 42 -4.262 -9.293 -1.662 1.00 0.00 O ATOM 596 CB ARG A 42 -7.204 -7.902 -1.582 1.00 0.00 C ATOM 597 CG ARG A 42 -8.428 -7.615 -0.728 1.00 0.00 C ATOM 598 CD ARG A 42 -9.628 -7.240 -1.584 1.00 0.00 C ATOM 599 NE ARG A 42 -10.386 -8.414 -2.008 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.554 -8.346 -2.638 1.00 0.00 C ATOM 601 NH1 ARG A 42 -12.095 -7.168 -2.914 1.00 0.00 N ATOM 602 NH2 ARG A 42 -12.183 -9.460 -2.992 1.00 0.00 N ATOM 0 H ARG A 42 -6.556 -5.762 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.886 -8.353 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.214 -7.243 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.265 -8.924 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.668 -8.492 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.207 -6.804 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.280 -6.571 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.289 -6.691 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.998 -9.336 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.615 -6.310 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.992 -7.119 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.770 -10.368 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.080 -9.408 -3.476 1.00 0.00 H new ATOM 616 N GLU A 43 -4.248 -7.230 -2.562 1.00 0.00 N ATOM 617 CA GLU A 43 -3.142 -7.514 -3.468 1.00 0.00 C ATOM 618 C GLU A 43 -1.841 -7.707 -2.694 1.00 0.00 C ATOM 619 O GLU A 43 -1.072 -8.628 -2.972 1.00 0.00 O ATOM 620 CB GLU A 43 -2.980 -6.380 -4.483 1.00 0.00 C ATOM 621 CG GLU A 43 -3.810 -6.567 -5.742 1.00 0.00 C ATOM 622 CD GLU A 43 -3.411 -5.613 -6.850 1.00 0.00 C ATOM 623 OE1 GLU A 43 -3.861 -4.448 -6.821 1.00 0.00 O ATOM 624 OE2 GLU A 43 -2.649 -6.031 -7.747 1.00 0.00 O ATOM 0 H GLU A 43 -4.615 -6.281 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.370 -8.438 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.259 -5.438 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.929 -6.299 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.703 -7.593 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.863 -6.421 -5.503 1.00 0.00 H new ATOM 631 N ILE A 44 -1.602 -6.833 -1.723 1.00 0.00 N ATOM 632 CA ILE A 44 -0.395 -6.908 -0.908 1.00 0.00 C ATOM 633 C ILE A 44 -0.383 -8.173 -0.057 1.00 0.00 C ATOM 634 O ILE A 44 0.657 -8.804 0.122 1.00 0.00 O ATOM 635 CB ILE A 44 -0.261 -5.681 0.013 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.404 -4.390 -0.795 1.00 0.00 C ATOM 637 CG2 ILE A 44 1.074 -5.710 0.743 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.134 -3.139 0.011 1.00 0.00 C ATOM 0 H ILE A 44 -2.228 -6.065 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 44 0.450 -6.929 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.060 -5.713 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.283 -4.423 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.413 -4.338 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.154 -4.836 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.139 -6.616 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.886 -5.699 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.254 -2.263 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.837 -3.083 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.884 -3.169 0.399 1.00 0.00 H new ATOM 650 N GLY A 45 -1.550 -8.539 0.465 1.00 0.00 N ATOM 651 CA GLY A 45 -1.653 -9.729 1.289 1.00 0.00 C ATOM 652 C GLY A 45 -1.706 -9.405 2.769 1.00 0.00 C ATOM 653 O GLY A 45 -0.718 -8.954 3.349 1.00 0.00 O ATOM 0 H GLY A 45 -2.425 -8.033 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.548 -10.285 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.800 -10.379 1.092 1.00 0.00 H new ATOM 657 N TYR A 46 -2.862 -9.635 3.382 1.00 0.00 N ATOM 658 CA TYR A 46 -3.041 -9.361 4.803 1.00 0.00 C ATOM 659 C TYR A 46 -2.136 -10.253 5.648 1.00 0.00 C ATOM 660 O TYR A 46 -1.756 -11.353 5.247 1.00 0.00 O ATOM 661 CB TYR A 46 -4.502 -9.571 5.205 1.00 0.00 C ATOM 662 CG TYR A 46 -5.448 -8.561 4.596 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.658 -7.326 5.198 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.133 -8.841 3.420 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.523 -6.401 4.646 1.00 0.00 C ATOM 666 CE2 TYR A 46 -6.998 -7.921 2.860 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.189 -6.703 3.476 1.00 0.00 C ATOM 668 OH TYR A 46 -8.051 -5.784 2.923 1.00 0.00 O ATOM 0 H TYR A 46 -3.689 -10.010 2.917 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.768 -8.321 4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.812 -10.573 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.582 -9.523 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.136 -7.085 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.987 -9.795 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.677 -5.447 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.522 -8.155 1.945 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.086 -4.986 3.490 1.00 0.00 H new ATOM 678 N PRO A 47 -1.783 -9.768 6.848 1.00 0.00 N ATOM 679 CA PRO A 47 -2.229 -8.460 7.336 1.00 0.00 C ATOM 680 C PRO A 47 -1.587 -7.306 6.572 1.00 0.00 C ATOM 681 O PRO A 47 -0.521 -7.461 5.976 1.00 0.00 O ATOM 682 CB PRO A 47 -1.774 -8.452 8.797 1.00 0.00 C ATOM 683 CG PRO A 47 -0.623 -9.396 8.841 1.00 0.00 C ATOM 684 CD PRO A 47 -0.921 -10.460 7.821 1.00 0.00 C ATOM 0 HA PRO A 47 -3.303 -8.323 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.478 -7.452 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.575 -8.773 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.311 -8.884 8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.511 -9.829 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.010 -10.836 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.427 -11.316 8.269 1.00 0.00 H new ATOM 692 N VAL A 48 -2.242 -6.150 6.594 1.00 0.00 N ATOM 693 CA VAL A 48 -1.734 -4.970 5.905 1.00 0.00 C ATOM 694 C VAL A 48 -1.769 -3.746 6.813 1.00 0.00 C ATOM 695 O VAL A 48 -2.809 -3.410 7.379 1.00 0.00 O ATOM 696 CB VAL A 48 -2.545 -4.673 4.629 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.529 -5.873 3.695 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.971 -4.281 4.984 1.00 0.00 C ATOM 0 H VAL A 48 -3.126 -6.005 7.082 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.702 -5.184 5.629 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.081 -3.834 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.107 -5.645 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.501 -6.102 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.968 -6.733 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.530 -4.075 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.449 -5.098 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.958 -3.389 5.611 1.00 0.00 H new ATOM 708 N MET A 49 -0.626 -3.082 6.946 1.00 0.00 N ATOM 709 CA MET A 49 -0.526 -1.893 7.785 1.00 0.00 C ATOM 710 C MET A 49 -0.950 -0.647 7.014 1.00 0.00 C ATOM 711 O MET A 49 -0.728 -0.548 5.807 1.00 0.00 O ATOM 712 CB MET A 49 0.905 -1.726 8.301 1.00 0.00 C ATOM 713 CG MET A 49 1.180 -0.353 8.894 1.00 0.00 C ATOM 714 SD MET A 49 2.938 -0.046 9.148 1.00 0.00 S ATOM 715 CE MET A 49 3.474 -1.639 9.767 1.00 0.00 C ATOM 0 H MET A 49 0.244 -3.347 6.484 1.00 0.00 H new ATOM 0 HA MET A 49 -1.198 -2.020 8.634 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.101 -2.486 9.058 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.601 -1.905 7.482 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.773 0.412 8.233 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.658 -0.262 9.846 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.461 -1.541 10.218 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.767 -1.995 10.516 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.520 -2.352 8.944 1.00 0.00 H new ATOM 725 N ILE A 50 -1.561 0.299 7.718 1.00 0.00 N ATOM 726 CA ILE A 50 -2.015 1.538 7.099 1.00 0.00 C ATOM 727 C ILE A 50 -1.430 2.754 7.809 1.00 0.00 C ATOM 728 O ILE A 50 -1.643 2.951 9.006 1.00 0.00 O ATOM 729 CB ILE A 50 -3.551 1.642 7.108 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.171 0.417 6.433 1.00 0.00 C ATOM 731 CG2 ILE A 50 -4.000 2.920 6.415 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.552 0.078 6.948 1.00 0.00 C ATOM 0 H ILE A 50 -1.753 0.231 8.717 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.666 1.521 6.066 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.892 1.674 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.226 0.593 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.515 -0.441 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.088 2.979 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.583 3.782 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.651 2.916 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.930 -0.801 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.501 -0.130 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.222 0.920 6.774 1.00 0.00 H new ATOM 744 N LYS A 51 -0.692 3.570 7.063 1.00 0.00 N ATOM 745 CA LYS A 51 -0.078 4.770 7.619 1.00 0.00 C ATOM 746 C LYS A 51 -0.619 6.024 6.938 1.00 0.00 C ATOM 747 O LYS A 51 -1.407 5.939 5.997 1.00 0.00 O ATOM 748 CB LYS A 51 1.443 4.708 7.464 1.00 0.00 C ATOM 749 CG LYS A 51 2.038 3.363 7.841 1.00 0.00 C ATOM 750 CD LYS A 51 2.078 2.417 6.652 1.00 0.00 C ATOM 751 CE LYS A 51 3.340 2.613 5.826 1.00 0.00 C ATOM 752 NZ LYS A 51 4.533 2.012 6.485 1.00 0.00 N ATOM 0 H LYS A 51 -0.505 3.422 6.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.327 4.818 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.704 4.934 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.895 5.482 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.047 3.506 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.450 2.916 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.029 1.387 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.202 2.582 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.204 2.164 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.510 3.678 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.366 2.608 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.368 1.947 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.700 1.060 6.100 1.00 0.00 H new ATOM 766 N ALA A 52 -0.188 7.185 7.419 1.00 0.00 N ATOM 767 CA ALA A 52 -0.626 8.455 6.854 1.00 0.00 C ATOM 768 C ALA A 52 0.418 9.020 5.897 1.00 0.00 C ATOM 769 O ALA A 52 1.507 9.413 6.313 1.00 0.00 O ATOM 770 CB ALA A 52 -0.921 9.453 7.965 1.00 0.00 C ATOM 0 H ALA A 52 0.464 7.272 8.199 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.540 8.276 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.247 10.397 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.708 9.059 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.019 9.618 8.555 1.00 0.00 H new ATOM 776 N SER A 53 0.078 9.056 4.612 1.00 0.00 N ATOM 777 CA SER A 53 0.988 9.568 3.595 1.00 0.00 C ATOM 778 C SER A 53 1.605 10.892 4.034 1.00 0.00 C ATOM 779 O SER A 53 2.818 11.082 3.953 1.00 0.00 O ATOM 780 CB SER A 53 0.251 9.751 2.267 1.00 0.00 C ATOM 781 OG SER A 53 1.147 9.674 1.171 1.00 0.00 O ATOM 0 H SER A 53 -0.821 8.737 4.251 1.00 0.00 H new ATOM 0 HA SER A 53 1.789 8.841 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.518 8.986 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.256 10.716 2.259 1.00 0.00 H new ATOM 0 HG SER A 53 0.651 9.792 0.334 1.00 0.00 H new ATOM 787 N ALA A 54 0.759 11.806 4.500 1.00 0.00 N ATOM 788 CA ALA A 54 1.219 13.112 4.954 1.00 0.00 C ATOM 789 C ALA A 54 2.363 12.974 5.954 1.00 0.00 C ATOM 790 O ALA A 54 3.276 13.797 5.985 1.00 0.00 O ATOM 791 CB ALA A 54 0.068 13.892 5.571 1.00 0.00 C ATOM 0 H ALA A 54 -0.249 11.665 4.573 1.00 0.00 H new ATOM 0 HA ALA A 54 1.592 13.659 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.426 14.865 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.717 14.030 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.331 13.340 6.422 1.00 0.00 H new ATOM 797 N GLY A 55 2.305 11.926 6.771 1.00 0.00 N ATOM 798 CA GLY A 55 3.341 11.700 7.762 1.00 0.00 C ATOM 799 C GLY A 55 3.845 10.271 7.758 1.00 0.00 C ATOM 800 O GLY A 55 4.951 9.996 7.295 1.00 0.00 O ATOM 0 H GLY A 55 1.559 11.230 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.174 12.376 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.952 11.942 8.751 1.00 0.00 H new ATOM 804 N GLY A 56 3.031 9.357 8.278 1.00 0.00 N ATOM 805 CA GLY A 56 3.419 7.959 8.324 1.00 0.00 C ATOM 806 C GLY A 56 4.666 7.731 9.155 1.00 0.00 C ATOM 807 O GLY A 56 5.614 8.513 9.092 1.00 0.00 O ATOM 0 H GLY A 56 2.110 9.560 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.599 7.371 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.591 7.599 7.310 1.00 0.00 H new ATOM 811 N GLY A 57 4.667 6.655 9.937 1.00 0.00 N ATOM 812 CA GLY A 57 5.812 6.347 10.773 1.00 0.00 C ATOM 813 C GLY A 57 5.951 4.861 11.041 1.00 0.00 C ATOM 814 O GLY A 57 6.804 4.195 10.456 1.00 0.00 O ATOM 0 H GLY A 57 3.895 5.992 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.719 6.713 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.719 6.877 11.721 1.00 0.00 H new ATOM 818 N GLY A 58 5.110 4.340 11.930 1.00 0.00 N ATOM 819 CA GLY A 58 5.161 2.928 12.259 1.00 0.00 C ATOM 820 C GLY A 58 4.683 2.644 13.670 1.00 0.00 C ATOM 821 O GLY A 58 4.152 1.569 13.949 1.00 0.00 O ATOM 0 H GLY A 58 4.395 4.871 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.547 2.371 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.184 2.568 12.146 1.00 0.00 H new ATOM 825 N LYS A 59 4.872 3.610 14.562 1.00 0.00 N ATOM 826 CA LYS A 59 4.457 3.460 15.952 1.00 0.00 C ATOM 827 C LYS A 59 3.318 4.418 16.286 1.00 0.00 C ATOM 828 O LYS A 59 3.539 5.489 16.850 1.00 0.00 O ATOM 829 CB LYS A 59 5.640 3.712 16.889 1.00 0.00 C ATOM 830 CG LYS A 59 5.511 3.015 18.232 1.00 0.00 C ATOM 831 CD LYS A 59 6.220 3.788 19.332 1.00 0.00 C ATOM 832 CE LYS A 59 7.670 3.352 19.474 1.00 0.00 C ATOM 833 NZ LYS A 59 8.195 3.611 20.843 1.00 0.00 N ATOM 0 H LYS A 59 5.310 4.506 14.347 1.00 0.00 H new ATOM 0 HA LYS A 59 4.102 2.439 16.091 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.556 3.378 16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.740 4.785 17.054 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.457 2.904 18.486 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.930 2.011 18.164 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.180 4.855 19.112 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.699 3.637 20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.753 2.289 19.248 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.282 3.882 18.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.186 3.300 20.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.139 4.629 21.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.627 3.085 21.538 1.00 0.00 H new ATOM 847 N GLY A 60 2.097 4.025 15.934 1.00 0.00 N ATOM 848 CA GLY A 60 0.942 4.859 16.205 1.00 0.00 C ATOM 849 C GLY A 60 -0.168 4.661 15.192 1.00 0.00 C ATOM 850 O GLY A 60 -1.348 4.709 15.537 1.00 0.00 O ATOM 0 H GLY A 60 1.888 3.143 15.466 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.563 4.636 17.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.246 5.906 16.206 1.00 0.00 H new ATOM 854 N MET A 61 0.211 4.440 13.937 1.00 0.00 N ATOM 855 CA MET A 61 -0.762 4.235 12.870 1.00 0.00 C ATOM 856 C MET A 61 -1.680 3.060 13.191 1.00 0.00 C ATOM 857 O MET A 61 -1.601 2.475 14.271 1.00 0.00 O ATOM 858 CB MET A 61 -0.047 3.990 11.540 1.00 0.00 C ATOM 859 CG MET A 61 0.521 2.586 11.404 1.00 0.00 C ATOM 860 SD MET A 61 1.348 2.024 12.905 1.00 0.00 S ATOM 861 CE MET A 61 0.306 0.643 13.368 1.00 0.00 C ATOM 0 H MET A 61 1.184 4.398 13.634 1.00 0.00 H new ATOM 0 HA MET A 61 -1.370 5.136 12.787 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.745 4.171 10.723 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.762 4.712 11.434 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.285 1.895 11.157 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.227 2.563 10.574 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.129 0.665 14.443 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.646 0.713 12.842 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.800 -0.291 13.101 1.00 0.00 H new ATOM 871 N ARG A 62 -2.552 2.721 12.247 1.00 0.00 N ATOM 872 CA ARG A 62 -3.486 1.617 12.430 1.00 0.00 C ATOM 873 C ARG A 62 -3.173 0.474 11.469 1.00 0.00 C ATOM 874 O ARG A 62 -2.567 0.683 10.417 1.00 0.00 O ATOM 875 CB ARG A 62 -4.923 2.097 12.218 1.00 0.00 C ATOM 876 CG ARG A 62 -5.970 1.157 12.793 1.00 0.00 C ATOM 877 CD ARG A 62 -7.356 1.782 12.764 1.00 0.00 C ATOM 878 NE ARG A 62 -7.638 2.547 13.976 1.00 0.00 N ATOM 879 CZ ARG A 62 -8.065 2.000 15.108 1.00 0.00 C ATOM 880 NH1 ARG A 62 -8.259 0.690 15.183 1.00 0.00 N ATOM 881 NH2 ARG A 62 -8.299 2.762 16.168 1.00 0.00 N ATOM 0 H ARG A 62 -2.631 3.195 11.347 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.379 1.249 13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.040 3.080 12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.103 2.218 11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.977 0.227 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.706 0.901 13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.441 2.435 11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.105 0.998 12.648 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.499 3.557 13.951 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.080 0.101 14.370 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.587 0.272 16.054 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.151 3.770 16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.627 2.340 17.037 1.00 0.00 H new ATOM 895 N ILE A 63 -3.590 -0.732 11.837 1.00 0.00 N ATOM 896 CA ILE A 63 -3.355 -1.907 11.007 1.00 0.00 C ATOM 897 C ILE A 63 -4.646 -2.684 10.775 1.00 0.00 C ATOM 898 O ILE A 63 -5.520 -2.728 11.640 1.00 0.00 O ATOM 899 CB ILE A 63 -2.312 -2.846 11.642 1.00 0.00 C ATOM 900 CG1 ILE A 63 -1.027 -2.076 11.958 1.00 0.00 C ATOM 901 CG2 ILE A 63 -2.020 -4.017 10.717 1.00 0.00 C ATOM 902 CD1 ILE A 63 -0.065 -2.843 12.838 1.00 0.00 C ATOM 0 H ILE A 63 -4.092 -0.922 12.704 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.974 -1.546 10.052 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.718 -3.238 12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.527 -1.820 11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.286 -1.138 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.281 -4.671 11.180 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.938 -4.576 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.631 -3.644 9.770 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.823 -2.237 13.021 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.547 -3.076 13.787 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.224 -3.769 12.341 1.00 0.00 H new ATOM 914 N ALA A 64 -4.758 -3.299 9.602 1.00 0.00 N ATOM 915 CA ALA A 64 -5.941 -4.078 9.257 1.00 0.00 C ATOM 916 C ALA A 64 -5.563 -5.494 8.838 1.00 0.00 C ATOM 917 O ALA A 64 -4.456 -5.733 8.355 1.00 0.00 O ATOM 918 CB ALA A 64 -6.723 -3.388 8.149 1.00 0.00 C ATOM 0 H ALA A 64 -4.044 -3.273 8.874 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.572 -4.146 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.604 -3.981 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.034 -2.399 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.092 -3.289 7.266 1.00 0.00 H new ATOM 924 N TRP A 65 -6.487 -6.428 9.026 1.00 0.00 N ATOM 925 CA TRP A 65 -6.249 -7.822 8.668 1.00 0.00 C ATOM 926 C TRP A 65 -7.258 -8.297 7.628 1.00 0.00 C ATOM 927 O TRP A 65 -7.053 -9.317 6.970 1.00 0.00 O ATOM 928 CB TRP A 65 -6.324 -8.710 9.911 1.00 0.00 C ATOM 929 CG TRP A 65 -5.232 -8.437 10.901 1.00 0.00 C ATOM 930 CD1 TRP A 65 -5.087 -7.321 11.675 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.133 -9.296 11.223 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.964 -7.435 12.458 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.361 -8.637 12.200 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.726 -10.558 10.782 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.207 -9.199 12.740 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.581 -11.114 11.319 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.833 -10.436 12.290 1.00 0.00 C ATOM 0 H TRP A 65 -7.408 -6.246 9.424 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.250 -7.895 8.238 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.289 -8.564 10.396 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.275 -9.755 9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.757 -6.474 11.672 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.633 -6.737 13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.296 -11.089 10.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.628 -8.677 13.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.257 -12.088 10.984 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.944 -10.899 12.691 1.00 0.00 H new ATOM 948 N ASP A 66 -8.348 -7.551 7.484 1.00 0.00 N ATOM 949 CA ASP A 66 -9.389 -7.895 6.522 1.00 0.00 C ATOM 950 C ASP A 66 -10.044 -6.639 5.957 1.00 0.00 C ATOM 951 O ASP A 66 -9.917 -5.553 6.522 1.00 0.00 O ATOM 952 CB ASP A 66 -10.445 -8.785 7.179 1.00 0.00 C ATOM 953 CG ASP A 66 -9.843 -9.773 8.159 1.00 0.00 C ATOM 954 OD1 ASP A 66 -8.961 -10.556 7.746 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.252 -9.762 9.338 1.00 0.00 O ATOM 0 H ASP A 66 -8.534 -6.704 8.021 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.925 -8.441 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.171 -8.159 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.988 -9.329 6.407 1.00 0.00 H new ATOM 960 N ASP A 67 -10.744 -6.795 4.839 1.00 0.00 N ATOM 961 CA ASP A 67 -11.419 -5.673 4.197 1.00 0.00 C ATOM 962 C ASP A 67 -12.137 -4.808 5.228 1.00 0.00 C ATOM 963 O ASP A 67 -11.971 -3.589 5.253 1.00 0.00 O ATOM 964 CB ASP A 67 -12.417 -6.180 3.155 1.00 0.00 C ATOM 965 CG ASP A 67 -13.523 -7.015 3.770 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.204 -7.965 4.516 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.707 -6.719 3.506 1.00 0.00 O ATOM 0 H ASP A 67 -10.859 -7.687 4.358 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.664 -5.063 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.855 -5.330 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.889 -6.774 2.409 1.00 0.00 H new ATOM 972 N GLU A 68 -12.935 -5.448 6.077 1.00 0.00 N ATOM 973 CA GLU A 68 -13.680 -4.736 7.109 1.00 0.00 C ATOM 974 C GLU A 68 -12.755 -3.834 7.922 1.00 0.00 C ATOM 975 O GLU A 68 -13.071 -2.672 8.175 1.00 0.00 O ATOM 976 CB GLU A 68 -14.386 -5.728 8.036 1.00 0.00 C ATOM 977 CG GLU A 68 -13.441 -6.701 8.721 1.00 0.00 C ATOM 978 CD GLU A 68 -14.157 -7.631 9.681 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.719 -8.645 9.217 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.153 -7.345 10.896 1.00 0.00 O ATOM 0 H GLU A 68 -13.082 -6.457 6.071 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.428 -4.114 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.936 -5.173 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.119 -6.292 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.924 -7.293 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.679 -6.141 9.264 1.00 0.00 H new ATOM 987 N GLU A 69 -11.613 -4.379 8.328 1.00 0.00 N ATOM 988 CA GLU A 69 -10.644 -3.624 9.114 1.00 0.00 C ATOM 989 C GLU A 69 -10.014 -2.512 8.279 1.00 0.00 C ATOM 990 O GLU A 69 -9.878 -1.377 8.736 1.00 0.00 O ATOM 991 CB GLU A 69 -9.553 -4.554 9.650 1.00 0.00 C ATOM 992 CG GLU A 69 -10.057 -5.557 10.674 1.00 0.00 C ATOM 993 CD GLU A 69 -8.949 -6.097 11.556 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.974 -5.357 11.805 1.00 0.00 O ATOM 995 OE2 GLU A 69 -9.057 -7.260 11.999 1.00 0.00 O ATOM 0 H GLU A 69 -11.336 -5.340 8.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.170 -3.171 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.105 -5.093 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.764 -3.952 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.815 -5.084 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.541 -6.386 10.157 1.00 0.00 H new ATOM 1002 N THR A 70 -9.631 -2.848 7.050 1.00 0.00 N ATOM 1003 CA THR A 70 -9.015 -1.880 6.151 1.00 0.00 C ATOM 1004 C THR A 70 -9.822 -0.588 6.097 1.00 0.00 C ATOM 1005 O THR A 70 -9.297 0.494 6.358 1.00 0.00 O ATOM 1006 CB THR A 70 -8.878 -2.446 4.725 1.00 0.00 C ATOM 1007 OG1 THR A 70 -7.985 -3.566 4.727 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.363 -1.382 3.768 1.00 0.00 C ATOM 0 H THR A 70 -9.737 -3.783 6.655 1.00 0.00 H new ATOM 0 HA THR A 70 -8.022 -1.668 6.547 1.00 0.00 H new ATOM 0 HB THR A 70 -9.864 -2.768 4.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.386 -4.303 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.274 -1.805 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.059 -0.544 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.386 -1.034 4.103 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.101 -0.709 5.758 1.00 0.00 N ATOM 1017 CA ARG A 71 -11.981 0.451 5.670 1.00 0.00 C ATOM 1018 C ARG A 71 -12.076 1.165 7.015 1.00 0.00 C ATOM 1019 O ARG A 71 -11.666 2.318 7.148 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.375 0.026 5.206 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.363 -0.847 3.961 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.547 -1.800 3.938 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.711 -1.212 3.281 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.850 -1.865 3.079 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.977 -3.122 3.482 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -17.865 -1.262 2.474 1.00 0.00 N ATOM 0 H ARG A 71 -11.551 -1.598 5.540 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.558 1.142 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.868 -0.515 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.970 0.917 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.385 -0.216 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.435 -1.417 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.264 -2.717 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.809 -2.077 4.959 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.646 -0.246 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.199 -3.589 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.852 -3.622 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.772 -0.295 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.739 -1.765 2.320 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.620 0.472 8.009 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.770 1.039 9.344 1.00 0.00 C ATOM 1042 C ASP A 72 -11.505 1.781 9.764 1.00 0.00 C ATOM 1043 O ASP A 72 -11.570 2.813 10.430 1.00 0.00 O ATOM 1044 CB ASP A 72 -13.089 -0.063 10.357 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.568 -0.393 10.405 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -15.339 0.418 10.959 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.954 -1.462 9.889 1.00 0.00 O ATOM 0 H ASP A 72 -12.965 -0.483 7.916 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.596 1.750 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.527 -0.961 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.757 0.250 11.347 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.353 1.246 9.370 1.00 0.00 N ATOM 1053 CA GLY A 73 -9.089 1.871 9.716 1.00 0.00 C ATOM 1054 C GLY A 73 -8.736 3.017 8.789 1.00 0.00 C ATOM 1055 O GLY A 73 -8.117 3.996 9.208 1.00 0.00 O ATOM 0 H GLY A 73 -10.272 0.392 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.138 2.239 10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.296 1.123 9.683 1.00 0.00 H new ATOM 1059 N PHE A 74 -9.129 2.897 7.525 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.848 3.931 6.536 1.00 0.00 C ATOM 1061 C PHE A 74 -9.639 5.200 6.836 1.00 0.00 C ATOM 1062 O PHE A 74 -9.150 6.312 6.634 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.185 3.427 5.131 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.331 4.527 4.118 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.467 5.319 4.096 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.332 4.768 3.189 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.605 6.332 3.166 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.464 5.780 2.257 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.602 6.562 2.245 1.00 0.00 C ATOM 0 H PHE A 74 -9.643 2.094 7.162 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.785 4.167 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.403 2.743 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.112 2.856 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.254 5.143 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.440 4.159 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.496 6.943 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.678 5.959 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.708 7.352 1.516 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.865 5.026 7.320 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.725 6.157 7.646 1.00 0.00 C ATOM 1081 C ARG A 75 -11.163 6.945 8.826 1.00 0.00 C ATOM 1082 O ARG A 75 -11.316 8.165 8.901 1.00 0.00 O ATOM 1083 CB ARG A 75 -13.139 5.672 7.971 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.773 4.853 6.858 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.170 4.385 7.237 1.00 0.00 C ATOM 1086 NE ARG A 75 -16.112 5.497 7.330 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.269 6.238 8.421 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -15.549 5.987 9.506 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.147 7.232 8.429 1.00 0.00 N ATOM 0 H ARG A 75 -11.284 4.113 7.495 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.764 6.814 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.108 5.071 8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.771 6.535 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.823 5.451 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.146 3.989 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.526 3.669 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.131 3.862 8.193 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.681 5.717 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.873 5.223 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.671 6.558 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.703 7.428 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.266 7.800 9.268 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.512 6.241 9.745 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.927 6.874 10.921 1.00 0.00 C ATOM 1105 C LEU A 76 -8.544 7.434 10.607 1.00 0.00 C ATOM 1106 O LEU A 76 -8.298 8.631 10.758 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.834 5.870 12.072 1.00 0.00 C ATOM 1108 CG LEU A 76 -11.128 5.139 12.431 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.833 3.929 13.304 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -12.095 6.081 13.133 1.00 0.00 C ATOM 0 H LEU A 76 -10.376 5.231 9.698 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.574 7.699 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.078 5.126 11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.479 6.396 12.958 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.594 4.792 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.766 3.421 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.177 3.244 12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.344 4.254 14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.010 5.544 13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.636 6.458 14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.332 6.917 12.474 1.00 0.00 H new ATOM 1122 N SER A 77 -7.643 6.561 10.167 1.00 0.00 N ATOM 1123 CA SER A 77 -6.283 6.968 9.832 1.00 0.00 C ATOM 1124 C SER A 77 -6.292 8.164 8.885 1.00 0.00 C ATOM 1125 O SER A 77 -5.326 8.924 8.819 1.00 0.00 O ATOM 1126 CB SER A 77 -5.522 5.804 9.194 1.00 0.00 C ATOM 1127 OG SER A 77 -6.163 5.363 8.010 1.00 0.00 O ATOM 0 H SER A 77 -7.830 5.567 10.034 1.00 0.00 H new ATOM 0 HA SER A 77 -5.780 7.260 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.502 6.114 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.453 4.979 9.903 1.00 0.00 H new ATOM 0 HG SER A 77 -7.032 4.970 8.235 1.00 0.00 H new ATOM 1133 N SER A 78 -7.391 8.325 8.154 1.00 0.00 N ATOM 1134 CA SER A 78 -7.525 9.426 7.208 1.00 0.00 C ATOM 1135 C SER A 78 -7.696 10.753 7.940 1.00 0.00 C ATOM 1136 O SER A 78 -7.002 11.727 7.648 1.00 0.00 O ATOM 1137 CB SER A 78 -8.717 9.185 6.279 1.00 0.00 C ATOM 1138 OG SER A 78 -9.868 8.806 7.015 1.00 0.00 O ATOM 0 H SER A 78 -8.201 7.707 8.199 1.00 0.00 H new ATOM 0 HA SER A 78 -6.613 9.475 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.927 10.090 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.469 8.406 5.559 1.00 0.00 H new ATOM 0 HG SER A 78 -10.021 7.844 6.911 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.623 10.783 8.891 1.00 0.00 N ATOM 1145 CA GLN A 79 -8.886 11.991 9.664 1.00 0.00 C ATOM 1146 C GLN A 79 -7.618 12.480 10.356 1.00 0.00 C ATOM 1147 O GLN A 79 -7.363 13.682 10.427 1.00 0.00 O ATOM 1148 CB GLN A 79 -9.979 11.730 10.702 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.251 11.145 10.111 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.478 11.452 10.946 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -13.258 12.347 10.618 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -12.656 10.710 12.033 1.00 0.00 N ATOM 0 H GLN A 79 -9.205 9.985 9.145 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.226 12.766 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.593 11.048 11.460 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.220 12.665 11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.394 11.538 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.140 10.065 10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.984 9.979 12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.464 10.871 12.634 1.00 0.00 H new ATOM 1161 N GLU A 80 -6.827 11.541 10.866 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.586 11.878 11.553 1.00 0.00 C ATOM 1163 C GLU A 80 -4.680 12.718 10.659 1.00 0.00 C ATOM 1164 O GLU A 80 -4.156 13.749 11.081 1.00 0.00 O ATOM 1165 CB GLU A 80 -4.856 10.605 11.987 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.518 9.890 13.153 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.076 10.434 14.497 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -5.438 11.585 14.819 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -4.369 9.708 15.228 1.00 0.00 O ATOM 0 H GLU A 80 -7.024 10.541 10.816 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.837 12.463 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.798 9.923 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.832 10.859 12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.600 9.984 13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.286 8.826 13.101 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.499 12.270 9.421 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.658 12.980 8.466 1.00 0.00 C ATOM 1178 C ALA A 81 -4.326 14.269 7.998 1.00 0.00 C ATOM 1179 O ALA A 81 -3.652 15.251 7.687 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.338 12.087 7.277 1.00 0.00 C ATOM 0 H ALA A 81 -4.924 11.418 9.056 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.727 13.245 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.709 12.631 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.811 11.197 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.264 11.792 6.784 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.654 14.258 7.949 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.412 15.426 7.520 1.00 0.00 C ATOM 1188 C ALA A 82 -6.184 16.604 8.461 1.00 0.00 C ATOM 1189 O ALA A 82 -6.105 17.753 8.024 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.895 15.092 7.440 1.00 0.00 C ATOM 0 H ALA A 82 -6.227 13.453 8.201 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.061 15.713 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.450 15.973 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.048 14.285 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.251 14.778 8.421 1.00 0.00 H new ATOM 1196 N SER A 83 -6.080 16.313 9.753 1.00 0.00 N ATOM 1197 CA SER A 83 -5.865 17.349 10.756 1.00 0.00 C ATOM 1198 C SER A 83 -4.376 17.551 11.019 1.00 0.00 C ATOM 1199 O SER A 83 -3.883 18.679 11.027 1.00 0.00 O ATOM 1200 CB SER A 83 -6.580 16.984 12.059 1.00 0.00 C ATOM 1201 OG SER A 83 -6.615 18.087 12.948 1.00 0.00 O ATOM 0 H SER A 83 -6.141 15.367 10.130 1.00 0.00 H new ATOM 0 HA SER A 83 -6.278 18.282 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.596 16.657 11.840 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.071 16.146 12.534 1.00 0.00 H new ATOM 0 HG SER A 83 -7.078 17.828 13.772 1.00 0.00 H new ATOM 1207 N SER A 84 -3.665 16.449 11.233 1.00 0.00 N ATOM 1208 CA SER A 84 -2.232 16.503 11.500 1.00 0.00 C ATOM 1209 C SER A 84 -1.526 17.404 10.491 1.00 0.00 C ATOM 1210 O SER A 84 -1.113 18.517 10.818 1.00 0.00 O ATOM 1211 CB SER A 84 -1.630 15.098 11.454 1.00 0.00 C ATOM 1212 OG SER A 84 -1.959 14.364 12.621 1.00 0.00 O ATOM 0 H SER A 84 -4.058 15.508 11.227 1.00 0.00 H new ATOM 0 HA SER A 84 -2.088 16.920 12.497 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.997 14.571 10.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.546 15.166 11.357 1.00 0.00 H new ATOM 0 HG SER A 84 -2.817 13.910 12.490 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.390 16.915 9.263 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.733 17.674 8.206 1.00 0.00 C ATOM 1220 C PHE A 85 -1.741 18.530 7.443 1.00 0.00 C ATOM 1221 O PHE A 85 -1.539 19.729 7.259 1.00 0.00 O ATOM 1222 CB PHE A 85 -0.015 16.729 7.240 1.00 0.00 C ATOM 1223 CG PHE A 85 1.069 15.918 7.890 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.767 14.743 8.559 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.390 16.330 7.831 1.00 0.00 C ATOM 1226 CE1 PHE A 85 1.763 13.995 9.159 1.00 0.00 C ATOM 1227 CE2 PHE A 85 3.391 15.586 8.428 1.00 0.00 C ATOM 1228 CZ PHE A 85 3.076 14.417 9.092 1.00 0.00 C ATOM 0 H PHE A 85 -1.726 15.996 8.975 1.00 0.00 H new ATOM 0 HA PHE A 85 0.000 18.334 8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.746 16.054 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.417 17.313 6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.258 14.407 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.641 17.243 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.514 13.082 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.417 15.919 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.856 13.833 9.558 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.827 17.902 7.002 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.850 18.620 6.264 1.00 0.00 C ATOM 1240 C GLY A 86 -4.553 17.743 5.247 1.00 0.00 C ATOM 1241 O GLY A 86 -5.749 17.901 5.003 1.00 0.00 O ATOM 0 H GLY A 86 -3.016 16.910 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.584 19.021 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.397 19.471 5.755 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.809 16.818 4.651 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.368 15.914 3.653 1.00 0.00 C ATOM 1247 C ASP A 87 -4.694 14.558 4.271 1.00 0.00 C ATOM 1248 O ASP A 87 -4.168 14.202 5.325 1.00 0.00 O ATOM 1249 CB ASP A 87 -3.391 15.736 2.490 1.00 0.00 C ATOM 1250 CG ASP A 87 -4.098 15.453 1.178 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -5.042 14.636 1.178 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -3.706 16.047 0.152 1.00 0.00 O ATOM 0 H ASP A 87 -2.817 16.675 4.842 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.292 16.354 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.786 16.637 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.708 14.917 2.715 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.566 13.806 3.608 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.963 12.489 4.092 1.00 0.00 C ATOM 1259 C ASP A 88 -5.134 11.393 3.429 1.00 0.00 C ATOM 1260 O ASP A 88 -5.288 10.212 3.738 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.450 12.251 3.827 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.749 12.034 2.356 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -6.920 12.443 1.516 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.810 11.456 2.045 1.00 0.00 O ATOM 0 H ASP A 88 -6.011 14.086 2.734 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.784 12.456 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.783 11.382 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.022 13.106 4.189 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.255 11.794 2.516 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.403 10.847 1.807 1.00 0.00 C ATOM 1271 C ARG A 89 -2.918 9.746 2.745 1.00 0.00 C ATOM 1272 O ARG A 89 -2.099 9.988 3.633 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.206 11.570 1.188 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.590 12.585 0.124 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.400 12.957 -0.747 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.634 14.189 -1.495 1.00 0.00 N ATOM 1277 CZ ARG A 89 -0.674 14.862 -2.120 1.00 0.00 C ATOM 1278 NH1 ARG A 89 0.577 14.424 -2.087 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -0.965 15.976 -2.780 1.00 0.00 N ATOM 0 H ARG A 89 -4.114 12.769 2.250 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.992 10.390 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.651 12.076 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.534 10.832 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.385 12.177 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.987 13.481 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.515 13.075 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.192 12.144 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.586 14.553 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.805 13.568 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.312 14.943 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.926 16.316 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.227 16.492 -3.260 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.427 8.536 2.542 1.00 0.00 N ATOM 1294 CA LEU A 90 -3.046 7.396 3.370 1.00 0.00 C ATOM 1295 C LEU A 90 -2.057 6.497 2.635 1.00 0.00 C ATOM 1296 O LEU A 90 -1.742 6.726 1.467 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.285 6.593 3.769 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.188 7.232 4.825 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.326 6.293 5.193 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.381 7.606 6.060 1.00 0.00 C ATOM 0 H LEU A 90 -4.105 8.318 1.811 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.563 7.777 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.879 6.411 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.960 5.621 4.138 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.617 8.142 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.958 6.765 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.920 6.075 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.917 5.365 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.039 8.059 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.923 6.711 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.602 8.316 5.784 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.573 5.471 3.327 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.621 4.534 2.740 1.00 0.00 C ATOM 1314 C LEU A 91 -0.883 3.113 3.230 1.00 0.00 C ATOM 1315 O LEU A 91 -1.510 2.911 4.270 1.00 0.00 O ATOM 1316 CB LEU A 91 0.811 4.949 3.082 1.00 0.00 C ATOM 1317 CG LEU A 91 1.346 6.180 2.351 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.779 6.469 2.770 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.257 5.987 0.844 1.00 0.00 C ATOM 0 H LEU A 91 -1.824 5.267 4.294 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.749 4.554 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.868 5.135 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.472 4.109 2.869 1.00 0.00 H new ATOM 0 HG LEU A 91 0.730 7.037 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.143 7.349 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.814 6.653 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.409 5.613 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.642 6.873 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.848 5.119 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.217 5.831 0.558 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.396 2.134 2.476 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.574 0.732 2.837 1.00 0.00 C ATOM 1333 C ILE A 92 0.687 -0.074 2.546 1.00 0.00 C ATOM 1334 O ILE A 92 1.185 -0.082 1.421 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.758 0.103 2.080 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.989 1.006 2.173 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.066 -1.280 2.635 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.222 0.417 1.524 1.00 0.00 C ATOM 0 H ILE A 92 0.125 2.285 1.612 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.781 0.704 3.907 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.485 -0.000 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.202 1.208 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.763 1.963 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.905 -1.712 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.191 -1.921 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.322 -1.199 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.055 1.112 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.027 0.240 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.473 -0.526 2.009 1.00 0.00 H new ATOM 1350 N GLU A 93 1.197 -0.754 3.569 1.00 0.00 N ATOM 1351 CA GLU A 93 2.400 -1.565 3.423 1.00 0.00 C ATOM 1352 C GLU A 93 2.201 -2.949 4.035 1.00 0.00 C ATOM 1353 O GLU A 93 1.441 -3.115 4.990 1.00 0.00 O ATOM 1354 CB GLU A 93 3.593 -0.871 4.081 1.00 0.00 C ATOM 1355 CG GLU A 93 4.177 0.258 3.248 1.00 0.00 C ATOM 1356 CD GLU A 93 5.187 -0.231 2.228 1.00 0.00 C ATOM 1357 OE1 GLU A 93 4.960 -1.309 1.640 1.00 0.00 O ATOM 1358 OE2 GLU A 93 6.204 0.463 2.019 1.00 0.00 O ATOM 0 H GLU A 93 0.796 -0.759 4.507 1.00 0.00 H new ATOM 0 HA GLU A 93 2.600 -1.683 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.284 -0.475 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.371 -1.609 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.370 0.780 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.655 0.982 3.908 1.00 0.00 H new ATOM 1365 N LYS A 94 2.888 -3.940 3.479 1.00 0.00 N ATOM 1366 CA LYS A 94 2.789 -5.310 3.968 1.00 0.00 C ATOM 1367 C LYS A 94 3.253 -5.404 5.419 1.00 0.00 C ATOM 1368 O LYS A 94 4.302 -4.872 5.781 1.00 0.00 O ATOM 1369 CB LYS A 94 3.624 -6.248 3.093 1.00 0.00 C ATOM 1370 CG LYS A 94 3.726 -7.661 3.641 1.00 0.00 C ATOM 1371 CD LYS A 94 2.475 -8.468 3.337 1.00 0.00 C ATOM 1372 CE LYS A 94 2.758 -9.962 3.355 1.00 0.00 C ATOM 1373 NZ LYS A 94 2.652 -10.531 4.727 1.00 0.00 N ATOM 0 H LYS A 94 3.521 -3.820 2.688 1.00 0.00 H new ATOM 0 HA LYS A 94 1.743 -5.612 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.187 -6.285 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.627 -5.835 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.595 -8.158 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.883 -7.624 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.703 -8.234 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.085 -8.182 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.056 -10.472 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.758 -10.147 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.450 -11.176 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.673 -9.760 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.758 -11.055 4.817 1.00 0.00 H new ATOM 1387 N PHE A 95 2.465 -6.085 6.244 1.00 0.00 N ATOM 1388 CA PHE A 95 2.795 -6.249 7.655 1.00 0.00 C ATOM 1389 C PHE A 95 3.270 -7.671 7.940 1.00 0.00 C ATOM 1390 O PHE A 95 2.482 -8.616 7.915 1.00 0.00 O ATOM 1391 CB PHE A 95 1.581 -5.921 8.526 1.00 0.00 C ATOM 1392 CG PHE A 95 1.847 -6.048 9.999 1.00 0.00 C ATOM 1393 CD1 PHE A 95 1.825 -7.288 10.615 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.121 -4.927 10.766 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.069 -7.408 11.970 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.367 -5.041 12.122 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.342 -6.283 12.724 1.00 0.00 C ATOM 0 H PHE A 95 1.593 -6.532 5.960 1.00 0.00 H new ATOM 0 HA PHE A 95 3.603 -5.559 7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.254 -4.904 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.760 -6.584 8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.615 -8.171 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.143 -3.953 10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.046 -8.381 12.439 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.578 -4.160 12.709 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.536 -6.375 13.783 1.00 0.00 H new ATOM 1407 N ILE A 96 4.563 -7.812 8.211 1.00 0.00 N ATOM 1408 CA ILE A 96 5.144 -9.117 8.502 1.00 0.00 C ATOM 1409 C ILE A 96 5.846 -9.117 9.855 1.00 0.00 C ATOM 1410 O ILE A 96 6.852 -8.433 10.044 1.00 0.00 O ATOM 1411 CB ILE A 96 6.149 -9.541 7.415 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.589 -9.234 6.024 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.477 -11.021 7.544 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.582 -9.468 4.908 1.00 0.00 C ATOM 0 H ILE A 96 5.228 -7.039 8.235 1.00 0.00 H new ATOM 0 HA ILE A 96 4.321 -9.831 8.523 1.00 0.00 H new ATOM 0 HB ILE A 96 7.069 -8.972 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.708 -9.852 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.260 -8.195 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.188 -11.305 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.913 -11.213 8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.565 -11.607 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.117 -9.230 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.453 -8.830 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.893 -10.513 4.911 1.00 0.00 H new ATOM 1426 N ASP A 97 5.311 -9.891 10.793 1.00 0.00 N ATOM 1427 CA ASP A 97 5.888 -9.983 12.130 1.00 0.00 C ATOM 1428 C ASP A 97 7.220 -10.725 12.096 1.00 0.00 C ATOM 1429 O ASP A 97 8.110 -10.458 12.902 1.00 0.00 O ATOM 1430 CB ASP A 97 4.919 -10.690 13.079 1.00 0.00 C ATOM 1431 CG ASP A 97 5.632 -11.379 14.226 1.00 0.00 C ATOM 1432 OD1 ASP A 97 6.576 -10.780 14.783 1.00 0.00 O ATOM 1433 OD2 ASP A 97 5.246 -12.516 14.567 1.00 0.00 O ATOM 0 H ASP A 97 4.479 -10.464 10.653 1.00 0.00 H new ATOM 0 HA ASP A 97 6.066 -8.971 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.211 -9.964 13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.340 -11.425 12.521 1.00 0.00 H new ATOM 1438 N ASN A 98 7.349 -11.658 11.158 1.00 0.00 N ATOM 1439 CA ASN A 98 8.572 -12.440 11.021 1.00 0.00 C ATOM 1440 C ASN A 98 9.484 -11.840 9.956 1.00 0.00 C ATOM 1441 O ASN A 98 9.031 -11.318 8.937 1.00 0.00 O ATOM 1442 CB ASN A 98 8.238 -13.890 10.665 1.00 0.00 C ATOM 1443 CG ASN A 98 7.139 -14.462 11.540 1.00 0.00 C ATOM 1444 OD1 ASN A 98 7.374 -14.824 12.692 1.00 0.00 O ATOM 1445 ND2 ASN A 98 5.931 -14.545 10.994 1.00 0.00 N ATOM 0 H ASN A 98 6.622 -11.891 10.482 1.00 0.00 H new ATOM 0 HA ASN A 98 9.096 -12.419 11.977 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.932 -13.943 9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.134 -14.502 10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.152 -14.921 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.782 -14.233 10.034 1.00 0.00 H new ATOM 1452 N PRO A 99 10.802 -11.916 10.194 1.00 0.00 N ATOM 1453 CA PRO A 99 11.806 -11.387 9.266 1.00 0.00 C ATOM 1454 C PRO A 99 11.893 -12.201 7.980 1.00 0.00 C ATOM 1455 O PRO A 99 11.356 -13.306 7.896 1.00 0.00 O ATOM 1456 CB PRO A 99 13.112 -11.497 10.057 1.00 0.00 C ATOM 1457 CG PRO A 99 12.873 -12.596 11.034 1.00 0.00 C ATOM 1458 CD PRO A 99 11.413 -12.525 11.387 1.00 0.00 C ATOM 0 HA PRO A 99 11.570 -10.373 8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.953 -11.725 9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.348 -10.561 10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.123 -13.565 10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.495 -12.473 11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.000 -13.513 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.244 -11.920 12.278 1.00 0.00 H new ATOM 1466 N ARG A 100 12.572 -11.649 6.980 1.00 0.00 N ATOM 1467 CA ARG A 100 12.728 -12.324 5.697 1.00 0.00 C ATOM 1468 C ARG A 100 13.951 -11.798 4.951 1.00 0.00 C ATOM 1469 O ARG A 100 14.623 -10.875 5.413 1.00 0.00 O ATOM 1470 CB ARG A 100 11.475 -12.134 4.841 1.00 0.00 C ATOM 1471 CG ARG A 100 11.269 -10.702 4.372 1.00 0.00 C ATOM 1472 CD ARG A 100 10.424 -10.646 3.109 1.00 0.00 C ATOM 1473 NE ARG A 100 10.727 -9.468 2.300 1.00 0.00 N ATOM 1474 CZ ARG A 100 10.196 -8.270 2.519 1.00 0.00 C ATOM 1475 NH1 ARG A 100 9.340 -8.093 3.516 1.00 0.00 N ATOM 1476 NH2 ARG A 100 10.521 -7.247 1.739 1.00 0.00 N ATOM 0 H ARG A 100 13.023 -10.736 7.033 1.00 0.00 H new ATOM 0 HA ARG A 100 12.871 -13.387 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.537 -12.787 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.603 -12.449 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.785 -10.126 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.237 -10.236 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.595 -11.546 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.368 -10.638 3.379 1.00 0.00 H new ATOM 0 HE ARG A 100 11.382 -9.571 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.088 -8.878 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.934 -7.172 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.179 -7.380 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.113 -6.327 1.908 1.00 0.00 H new ATOM 1490 N HIS A 101 14.234 -12.393 3.797 1.00 0.00 N ATOM 1491 CA HIS A 101 15.376 -11.985 2.986 1.00 0.00 C ATOM 1492 C HIS A 101 15.012 -10.807 2.087 1.00 0.00 C ATOM 1493 O HIS A 101 13.840 -10.448 1.963 1.00 0.00 O ATOM 1494 CB HIS A 101 15.870 -13.156 2.137 1.00 0.00 C ATOM 1495 CG HIS A 101 15.043 -13.399 0.913 1.00 0.00 C ATOM 1496 ND1 HIS A 101 15.301 -12.799 -0.302 1.00 0.00 N ATOM 1497 CD2 HIS A 101 13.957 -14.185 0.720 1.00 0.00 C ATOM 1498 CE1 HIS A 101 14.409 -13.203 -1.188 1.00 0.00 C ATOM 1499 NE2 HIS A 101 13.583 -14.045 -0.594 1.00 0.00 N ATOM 0 H HIS A 101 13.689 -13.159 3.402 1.00 0.00 H new ATOM 0 HA HIS A 101 16.174 -11.672 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.901 -12.967 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 101 15.876 -14.059 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.475 -14.806 1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 101 14.363 -12.897 -2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.795 -14.515 -1.039 1.00 0.00 H new ATOM 1508 N ILE A 102 16.022 -10.210 1.464 1.00 0.00 N ATOM 1509 CA ILE A 102 15.807 -9.074 0.576 1.00 0.00 C ATOM 1510 C ILE A 102 16.382 -9.343 -0.810 1.00 0.00 C ATOM 1511 O ILE A 102 17.518 -9.796 -0.945 1.00 0.00 O ATOM 1512 CB ILE A 102 16.441 -7.790 1.143 1.00 0.00 C ATOM 1513 CG1 ILE A 102 15.779 -7.411 2.469 1.00 0.00 C ATOM 1514 CG2 ILE A 102 16.319 -6.652 0.140 1.00 0.00 C ATOM 1515 CD1 ILE A 102 16.589 -6.432 3.291 1.00 0.00 C ATOM 0 H ILE A 102 16.997 -10.494 1.558 1.00 0.00 H new ATOM 0 HA ILE A 102 14.729 -8.934 0.498 1.00 0.00 H new ATOM 0 HB ILE A 102 17.499 -7.975 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.799 -6.979 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.614 -8.315 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.771 -5.751 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.832 -6.924 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 102 15.266 -6.465 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.059 -6.209 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.560 -6.869 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.732 -5.512 2.724 1.00 0.00 H new ATOM 1527 N SER A 103 15.590 -9.058 -1.839 1.00 0.00 N ATOM 1528 CA SER A 103 16.019 -9.270 -3.216 1.00 0.00 C ATOM 1529 C SER A 103 17.002 -8.188 -3.652 1.00 0.00 C ATOM 1530 O SER A 103 18.151 -8.475 -3.986 1.00 0.00 O ATOM 1531 CB SER A 103 14.810 -9.284 -4.153 1.00 0.00 C ATOM 1532 OG SER A 103 15.119 -9.933 -5.374 1.00 0.00 O ATOM 0 H SER A 103 14.648 -8.680 -1.745 1.00 0.00 H new ATOM 0 HA SER A 103 16.522 -10.236 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.976 -9.792 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.488 -8.262 -4.352 1.00 0.00 H new ATOM 0 HG SER A 103 14.330 -9.930 -5.955 1.00 0.00 H new ATOM 1538 N GLY A 104 16.541 -6.941 -3.646 1.00 0.00 N ATOM 1539 CA GLY A 104 17.390 -5.833 -4.042 1.00 0.00 C ATOM 1540 C GLY A 104 16.664 -4.503 -4.007 1.00 0.00 C ATOM 1541 O GLY A 104 15.479 -4.428 -3.683 1.00 0.00 O ATOM 0 H GLY A 104 15.594 -6.678 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.255 -5.788 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.767 -6.011 -5.049 1.00 0.00 H new ATOM 1545 N PRO A 105 17.383 -3.423 -4.347 1.00 0.00 N ATOM 1546 CA PRO A 105 16.819 -2.070 -4.359 1.00 0.00 C ATOM 1547 C PRO A 105 15.810 -1.872 -5.485 1.00 0.00 C ATOM 1548 O PRO A 105 15.279 -0.777 -5.671 1.00 0.00 O ATOM 1549 CB PRO A 105 18.044 -1.178 -4.577 1.00 0.00 C ATOM 1550 CG PRO A 105 19.030 -2.051 -5.275 1.00 0.00 C ATOM 1551 CD PRO A 105 18.800 -3.439 -4.744 1.00 0.00 C ATOM 0 HA PRO A 105 16.270 -1.849 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 105 17.795 -0.303 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 105 18.440 -0.812 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 105 18.886 -2.017 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 105 20.051 -1.722 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 105 18.996 -4.197 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 105 19.452 -3.659 -3.898 1.00 0.00 H new ATOM 1559 N SER A 106 15.549 -2.939 -6.233 1.00 0.00 N ATOM 1560 CA SER A 106 14.605 -2.882 -7.343 1.00 0.00 C ATOM 1561 C SER A 106 13.174 -2.740 -6.832 1.00 0.00 C ATOM 1562 O SER A 106 12.720 -3.522 -5.998 1.00 0.00 O ATOM 1563 CB SER A 106 14.726 -4.138 -8.209 1.00 0.00 C ATOM 1564 OG SER A 106 13.908 -5.182 -7.711 1.00 0.00 O ATOM 0 H SER A 106 15.978 -3.853 -6.091 1.00 0.00 H new ATOM 0 HA SER A 106 14.846 -2.008 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.440 -3.905 -9.235 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.765 -4.467 -8.235 1.00 0.00 H new ATOM 0 HG SER A 106 13.501 -4.903 -6.865 1.00 0.00 H new ATOM 1570 N SER A 107 12.469 -1.734 -7.340 1.00 0.00 N ATOM 1571 CA SER A 107 11.091 -1.484 -6.934 1.00 0.00 C ATOM 1572 C SER A 107 10.169 -2.596 -7.427 1.00 0.00 C ATOM 1573 O SER A 107 9.289 -3.056 -6.701 1.00 0.00 O ATOM 1574 CB SER A 107 10.614 -0.134 -7.473 1.00 0.00 C ATOM 1575 OG SER A 107 10.613 -0.123 -8.890 1.00 0.00 O ATOM 0 H SER A 107 12.830 -1.079 -8.034 1.00 0.00 H new ATOM 0 HA SER A 107 11.058 -1.464 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.610 0.074 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.262 0.659 -7.100 1.00 0.00 H new ATOM 0 HG SER A 107 10.303 0.750 -9.210 1.00 0.00 H new ATOM 1581 N GLY A 108 10.379 -3.023 -8.669 1.00 0.00 N ATOM 1582 CA GLY A 108 9.560 -4.076 -9.240 1.00 0.00 C ATOM 1583 C GLY A 108 9.719 -5.394 -8.508 1.00 0.00 C ATOM 1584 O GLY A 108 8.794 -6.206 -8.470 1.00 0.00 O ATOM 0 H GLY A 108 11.102 -2.658 -9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.513 -3.773 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.826 -4.211 -10.288 1.00 0.00 H new TER 1588 GLY A 108