USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 748 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 52 SER OG : rot -100:sc= -0.193 USER MOD Set 1.2: A 58 THR OG1 : rot -90:sc= -0.672 USER MOD Set 2.1: A 11 GLN :FLIP amide:sc= -2.84! C(o=-4.7!,f=-2.7!) USER MOD Set 2.2: A 93 SER OG : rot 134:sc= 0.19 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0711 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00316 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 MET CE :methyl -156:sc= -3.5 (180deg=-5.42!) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc=-0.00802 (180deg=-0.268) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.625 K(o=0.63,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.128 (180deg=-0.558) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0847 K(o=-0.085,f=-6.3!) USER MOD Single : A 35 THR OG1 : rot -154:sc= 0.784 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.402) USER MOD Single : A 46 ASN : amide:sc= 0.0291 K(o=0.029,f=-3!) USER MOD Single : A 47 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0969 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -140:sc= -1.14 (180deg=-4.87!) USER MOD Single : A 62 ASN : amide:sc= 0.0254 X(o=0.025,f=-0.12) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 89:sc= 1.24 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 176:sc= -3.19! (180deg=-3.35!) USER MOD Single : A 82 TYR OH : rot -23:sc= -0.198 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.943 K(o=-0.94,f=-4.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -58:sc= 0.0005 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.491 25.482 5.807 1.00 0.00 N ATOM 2 CA GLY A 1 10.712 24.648 4.851 1.00 0.00 C ATOM 3 C GLY A 1 11.522 23.494 4.295 1.00 0.00 C ATOM 4 O GLY A 1 12.684 23.312 4.657 1.00 0.00 O ATOM 0 H1 GLY A 1 11.023 25.475 6.735 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.452 25.096 5.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.543 26.459 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.826 24.258 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.364 25.273 4.029 1.00 0.00 H new ATOM 10 N SER A 2 10.907 22.712 3.414 1.00 0.00 N ATOM 11 CA SER A 2 11.579 21.569 2.807 1.00 0.00 C ATOM 12 C SER A 2 10.930 21.200 1.476 1.00 0.00 C ATOM 13 O SER A 2 9.854 21.694 1.141 1.00 0.00 O ATOM 14 CB SER A 2 11.545 20.369 3.756 1.00 0.00 C ATOM 15 OG SER A 2 12.795 19.703 3.782 1.00 0.00 O ATOM 0 H SER A 2 9.945 22.849 3.105 1.00 0.00 H new ATOM 0 HA SER A 2 12.617 21.846 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.287 20.703 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.766 19.675 3.441 1.00 0.00 H new ATOM 0 HG SER A 2 12.747 18.941 4.397 1.00 0.00 H new ATOM 21 N SER A 3 11.593 20.329 0.723 1.00 0.00 N ATOM 22 CA SER A 3 11.081 19.893 -0.572 1.00 0.00 C ATOM 23 C SER A 3 11.336 18.404 -0.785 1.00 0.00 C ATOM 24 O SER A 3 12.441 17.914 -0.554 1.00 0.00 O ATOM 25 CB SER A 3 11.730 20.700 -1.698 1.00 0.00 C ATOM 26 OG SER A 3 12.143 21.976 -1.239 1.00 0.00 O ATOM 0 H SER A 3 12.485 19.911 0.986 1.00 0.00 H new ATOM 0 HA SER A 3 10.005 20.064 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.589 20.156 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.023 20.817 -2.520 1.00 0.00 H new ATOM 0 HG SER A 3 12.556 22.471 -1.977 1.00 0.00 H new ATOM 32 N GLY A 4 10.306 17.691 -1.228 1.00 0.00 N ATOM 33 CA GLY A 4 10.439 16.266 -1.467 1.00 0.00 C ATOM 34 C GLY A 4 9.911 15.433 -0.314 1.00 0.00 C ATOM 35 O GLY A 4 10.642 15.136 0.631 1.00 0.00 O ATOM 0 H GLY A 4 9.382 18.074 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.902 16.002 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.489 16.025 -1.635 1.00 0.00 H new ATOM 39 N SER A 5 8.639 15.056 -0.392 1.00 0.00 N ATOM 40 CA SER A 5 8.014 14.253 0.651 1.00 0.00 C ATOM 41 C SER A 5 8.052 12.771 0.294 1.00 0.00 C ATOM 42 O SER A 5 8.180 12.406 -0.875 1.00 0.00 O ATOM 43 CB SER A 5 6.568 14.701 0.871 1.00 0.00 C ATOM 44 OG SER A 5 6.483 15.664 1.906 1.00 0.00 O ATOM 0 H SER A 5 8.021 15.294 -1.168 1.00 0.00 H new ATOM 0 HA SER A 5 8.576 14.399 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.170 15.120 -0.053 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.951 13.838 1.122 1.00 0.00 H new ATOM 0 HG SER A 5 5.549 15.935 2.025 1.00 0.00 H new ATOM 50 N SER A 6 7.938 11.919 1.309 1.00 0.00 N ATOM 51 CA SER A 6 7.959 10.477 1.101 1.00 0.00 C ATOM 52 C SER A 6 7.083 9.766 2.128 1.00 0.00 C ATOM 53 O SER A 6 7.281 9.913 3.334 1.00 0.00 O ATOM 54 CB SER A 6 9.393 9.949 1.183 1.00 0.00 C ATOM 55 OG SER A 6 9.614 8.919 0.235 1.00 0.00 O ATOM 0 H SER A 6 7.830 12.203 2.283 1.00 0.00 H new ATOM 0 HA SER A 6 7.561 10.273 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.094 10.765 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.588 9.571 2.187 1.00 0.00 H new ATOM 0 HG SER A 6 10.538 8.601 0.307 1.00 0.00 H new ATOM 61 N GLY A 7 6.115 8.997 1.643 1.00 0.00 N ATOM 62 CA GLY A 7 5.224 8.275 2.532 1.00 0.00 C ATOM 63 C GLY A 7 3.844 8.897 2.602 1.00 0.00 C ATOM 64 O GLY A 7 3.657 9.940 3.229 1.00 0.00 O ATOM 0 H GLY A 7 5.931 8.860 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.137 7.243 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.658 8.247 3.532 1.00 0.00 H new ATOM 68 N ASP A 8 2.875 8.257 1.957 1.00 0.00 N ATOM 69 CA ASP A 8 1.503 8.754 1.948 1.00 0.00 C ATOM 70 C ASP A 8 0.520 7.638 2.290 1.00 0.00 C ATOM 71 O ASP A 8 -0.510 7.481 1.634 1.00 0.00 O ATOM 72 CB ASP A 8 1.165 9.350 0.581 1.00 0.00 C ATOM 73 CG ASP A 8 1.598 10.797 0.458 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.141 11.625 1.273 1.00 0.00 O ATOM 75 OD2 ASP A 8 2.396 11.103 -0.453 1.00 0.00 O ATOM 0 H ASP A 8 3.014 7.393 1.433 1.00 0.00 H new ATOM 0 HA ASP A 8 1.417 9.533 2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.649 8.761 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.090 9.280 0.413 1.00 0.00 H new ATOM 80 N MET A 9 0.843 6.869 3.324 1.00 0.00 N ATOM 81 CA MET A 9 -0.011 5.768 3.755 1.00 0.00 C ATOM 82 C MET A 9 -0.943 6.209 4.880 1.00 0.00 C ATOM 83 O MET A 9 -2.029 5.656 5.051 1.00 0.00 O ATOM 84 CB MET A 9 0.843 4.584 4.217 1.00 0.00 C ATOM 85 CG MET A 9 0.959 3.479 3.180 1.00 0.00 C ATOM 86 SD MET A 9 -0.160 2.103 3.500 1.00 0.00 S ATOM 87 CE MET A 9 -0.673 1.687 1.835 1.00 0.00 C ATOM 0 H MET A 9 1.690 6.988 3.879 1.00 0.00 H new ATOM 0 HA MET A 9 -0.620 5.459 2.905 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.841 4.942 4.468 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.414 4.171 5.130 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.749 3.890 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.985 3.111 3.161 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.638 1.182 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.759 2.598 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.066 1.027 1.381 1.00 0.00 H new ATOM 97 N LYS A 10 -0.514 7.209 5.645 1.00 0.00 N ATOM 98 CA LYS A 10 -1.311 7.722 6.754 1.00 0.00 C ATOM 99 C LYS A 10 -2.684 8.181 6.274 1.00 0.00 C ATOM 100 O LYS A 10 -3.667 8.105 7.010 1.00 0.00 O ATOM 101 CB LYS A 10 -0.582 8.881 7.439 1.00 0.00 C ATOM 102 CG LYS A 10 -0.713 8.869 8.953 1.00 0.00 C ATOM 103 CD LYS A 10 -0.903 10.272 9.507 1.00 0.00 C ATOM 104 CE LYS A 10 0.422 11.009 9.624 1.00 0.00 C ATOM 105 NZ LYS A 10 0.819 11.644 8.337 1.00 0.00 N ATOM 0 H LYS A 10 0.382 7.680 5.517 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.451 6.914 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.474 8.843 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.973 9.823 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.559 8.245 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.178 8.421 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.576 10.832 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.377 10.216 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.345 11.773 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.198 10.312 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.564 12.348 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.177 10.916 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.007 12.112 7.912 1.00 0.00 H new ATOM 119 N GLN A 11 -2.745 8.657 5.033 1.00 0.00 N ATOM 120 CA GLN A 11 -3.999 9.128 4.457 1.00 0.00 C ATOM 121 C GLN A 11 -4.991 7.980 4.301 1.00 0.00 C ATOM 122 O GLN A 11 -6.204 8.183 4.365 1.00 0.00 O ATOM 123 CB GLN A 11 -3.746 9.788 3.100 1.00 0.00 C ATOM 124 CG GLN A 11 -3.111 8.857 2.078 1.00 0.00 C ATOM 125 CD GLN A 11 -3.694 9.032 0.689 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.143 7.933 0.094 1.00 0.00 O flip ATOM 127 NE2 GLN A 11 -3.740 10.141 0.158 1.00 0.00 N flip ATOM 0 H GLN A 11 -1.941 8.726 4.409 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.428 9.865 5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.692 10.158 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.099 10.654 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.037 9.040 2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.248 7.824 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.383 10.958 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.135 10.243 -0.777 1.00 0.00 H new ATOM 136 N LEU A 12 -4.470 6.775 4.098 1.00 0.00 N ATOM 137 CA LEU A 12 -5.310 5.595 3.933 1.00 0.00 C ATOM 138 C LEU A 12 -5.953 5.198 5.258 1.00 0.00 C ATOM 139 O LEU A 12 -5.261 4.926 6.238 1.00 0.00 O ATOM 140 CB LEU A 12 -4.487 4.429 3.382 1.00 0.00 C ATOM 141 CG LEU A 12 -4.442 4.332 1.857 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.144 3.686 1.401 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.640 3.549 1.339 1.00 0.00 C ATOM 0 H LEU A 12 -3.468 6.590 4.044 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.101 5.838 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.467 4.516 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.893 3.498 3.778 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.485 5.341 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.130 3.626 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.300 4.285 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.070 2.683 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.593 3.489 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.626 2.543 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.560 4.053 1.635 1.00 0.00 H new ATOM 155 N ALA A 13 -7.282 5.165 5.279 1.00 0.00 N ATOM 156 CA ALA A 13 -8.018 4.800 6.484 1.00 0.00 C ATOM 157 C ALA A 13 -7.664 3.387 6.935 1.00 0.00 C ATOM 158 O ALA A 13 -7.260 2.550 6.128 1.00 0.00 O ATOM 159 CB ALA A 13 -9.515 4.920 6.243 1.00 0.00 C ATOM 0 H ALA A 13 -7.871 5.386 4.476 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.733 5.489 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.053 4.645 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.759 5.948 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.807 4.254 5.432 1.00 0.00 H new ATOM 165 N GLU A 14 -7.817 3.129 8.230 1.00 0.00 N ATOM 166 CA GLU A 14 -7.513 1.817 8.789 1.00 0.00 C ATOM 167 C GLU A 14 -8.383 0.739 8.148 1.00 0.00 C ATOM 168 O GLU A 14 -7.908 -0.355 7.843 1.00 0.00 O ATOM 169 CB GLU A 14 -7.719 1.827 10.306 1.00 0.00 C ATOM 170 CG GLU A 14 -6.435 1.622 11.095 1.00 0.00 C ATOM 171 CD GLU A 14 -6.413 2.413 12.387 1.00 0.00 C ATOM 172 OE1 GLU A 14 -7.503 2.747 12.898 1.00 0.00 O ATOM 173 OE2 GLU A 14 -5.306 2.701 12.887 1.00 0.00 O ATOM 0 H GLU A 14 -8.150 3.811 8.912 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.469 1.588 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.167 2.777 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.429 1.044 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.316 0.562 11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.584 1.914 10.480 1.00 0.00 H new ATOM 180 N ASP A 15 -9.658 1.056 7.947 1.00 0.00 N ATOM 181 CA ASP A 15 -10.594 0.115 7.343 1.00 0.00 C ATOM 182 C ASP A 15 -10.183 -0.218 5.912 1.00 0.00 C ATOM 183 O ASP A 15 -10.402 -1.332 5.437 1.00 0.00 O ATOM 184 CB ASP A 15 -12.010 0.692 7.357 1.00 0.00 C ATOM 185 CG ASP A 15 -12.764 0.346 8.626 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.633 1.095 9.617 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.484 -0.674 8.629 1.00 0.00 O ATOM 0 H ASP A 15 -10.067 1.957 8.194 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.577 -0.803 7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.959 1.776 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.561 0.315 6.496 1.00 0.00 H new ATOM 192 N VAL A 16 -9.585 0.754 5.233 1.00 0.00 N ATOM 193 CA VAL A 16 -9.142 0.565 3.857 1.00 0.00 C ATOM 194 C VAL A 16 -8.025 -0.469 3.777 1.00 0.00 C ATOM 195 O VAL A 16 -8.009 -1.313 2.881 1.00 0.00 O ATOM 196 CB VAL A 16 -8.648 1.888 3.238 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.338 1.705 1.760 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.675 2.992 3.441 1.00 0.00 C ATOM 0 H VAL A 16 -9.396 1.681 5.613 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.004 0.209 3.293 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.729 2.181 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.991 2.650 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.562 0.949 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.239 1.385 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.307 3.917 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.613 2.708 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.841 3.143 4.508 1.00 0.00 H new ATOM 208 N LYS A 17 -7.092 -0.398 4.721 1.00 0.00 N ATOM 209 CA LYS A 17 -5.969 -1.328 4.758 1.00 0.00 C ATOM 210 C LYS A 17 -6.364 -2.633 5.442 1.00 0.00 C ATOM 211 O LYS A 17 -5.814 -3.693 5.142 1.00 0.00 O ATOM 212 CB LYS A 17 -4.781 -0.695 5.486 1.00 0.00 C ATOM 213 CG LYS A 17 -4.378 0.661 4.927 1.00 0.00 C ATOM 214 CD LYS A 17 -4.478 1.756 5.979 1.00 0.00 C ATOM 215 CE LYS A 17 -3.105 2.189 6.469 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.781 1.606 7.801 1.00 0.00 N ATOM 0 H LYS A 17 -7.091 0.294 5.471 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.680 -1.552 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.029 -0.585 6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.928 -1.371 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.356 0.610 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.018 0.910 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.004 2.615 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.070 1.399 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.349 1.884 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.068 3.277 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.837 1.925 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.488 1.917 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.791 0.568 7.737 1.00 0.00 H new ATOM 230 N LEU A 18 -7.319 -2.550 6.362 1.00 0.00 N ATOM 231 CA LEU A 18 -7.785 -3.726 7.088 1.00 0.00 C ATOM 232 C LEU A 18 -8.353 -4.768 6.129 1.00 0.00 C ATOM 233 O LEU A 18 -8.076 -5.960 6.257 1.00 0.00 O ATOM 234 CB LEU A 18 -8.848 -3.330 8.115 1.00 0.00 C ATOM 235 CG LEU A 18 -8.303 -2.897 9.477 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.392 -2.226 10.299 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.730 -4.093 10.223 1.00 0.00 C ATOM 0 H LEU A 18 -7.785 -1.681 6.623 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.932 -4.162 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.443 -2.515 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.522 -4.174 8.262 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.503 -2.175 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.986 -1.925 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.758 -1.347 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.214 -2.925 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.346 -3.769 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.513 -4.837 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.920 -4.532 9.640 1.00 0.00 H new ATOM 249 N GLN A 19 -9.150 -4.309 5.170 1.00 0.00 N ATOM 250 CA GLN A 19 -9.758 -5.201 4.189 1.00 0.00 C ATOM 251 C GLN A 19 -8.694 -5.877 3.332 1.00 0.00 C ATOM 252 O GLN A 19 -8.855 -7.024 2.914 1.00 0.00 O ATOM 253 CB GLN A 19 -10.731 -4.425 3.298 1.00 0.00 C ATOM 254 CG GLN A 19 -11.871 -3.774 4.064 1.00 0.00 C ATOM 255 CD GLN A 19 -12.667 -2.806 3.212 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.385 -3.210 2.298 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.542 -1.516 3.508 1.00 0.00 N ATOM 0 H GLN A 19 -9.390 -3.325 5.051 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.306 -5.973 4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.181 -3.654 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.146 -5.102 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.536 -4.548 4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.468 -3.246 4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.935 -1.225 4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.053 -0.817 2.968 1.00 0.00 H new ATOM 266 N LEU A 20 -7.607 -5.159 3.072 1.00 0.00 N ATOM 267 CA LEU A 20 -6.516 -5.690 2.262 1.00 0.00 C ATOM 268 C LEU A 20 -5.926 -6.945 2.897 1.00 0.00 C ATOM 269 O LEU A 20 -5.509 -7.869 2.198 1.00 0.00 O ATOM 270 CB LEU A 20 -5.424 -4.634 2.084 1.00 0.00 C ATOM 271 CG LEU A 20 -5.782 -3.483 1.142 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.863 -2.295 1.378 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.708 -3.938 -0.307 1.00 0.00 C ATOM 0 H LEU A 20 -7.458 -4.208 3.410 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.919 -5.955 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.178 -4.220 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.525 -5.123 1.710 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.805 -3.171 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.133 -1.486 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.966 -1.954 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.830 -2.592 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.966 -3.107 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.696 -4.277 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.409 -4.757 -0.467 1.00 0.00 H new ATOM 285 N TYR A 21 -5.895 -6.972 4.225 1.00 0.00 N ATOM 286 CA TYR A 21 -5.354 -8.115 4.953 1.00 0.00 C ATOM 287 C TYR A 21 -6.192 -9.366 4.703 1.00 0.00 C ATOM 288 O TYR A 21 -5.674 -10.482 4.697 1.00 0.00 O ATOM 289 CB TYR A 21 -5.302 -7.815 6.453 1.00 0.00 C ATOM 290 CG TYR A 21 -4.518 -6.567 6.794 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.324 -6.274 6.148 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.974 -5.684 7.765 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.606 -5.136 6.459 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.261 -4.542 8.081 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.078 -4.273 7.425 1.00 0.00 C ATOM 296 OH TYR A 21 -2.366 -3.138 7.737 1.00 0.00 O ATOM 0 H TYR A 21 -6.238 -6.217 4.819 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.342 -8.297 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.319 -7.709 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.858 -8.666 6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.951 -6.947 5.390 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.900 -5.893 8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.679 -4.923 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.629 -3.864 8.837 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.837 -2.639 8.437 1.00 0.00 H new ATOM 306 N LYS A 22 -7.491 -9.170 4.499 1.00 0.00 N ATOM 307 CA LYS A 22 -8.400 -10.282 4.248 1.00 0.00 C ATOM 308 C LYS A 22 -8.215 -10.830 2.836 1.00 0.00 C ATOM 309 O LYS A 22 -8.407 -12.021 2.593 1.00 0.00 O ATOM 310 CB LYS A 22 -9.851 -9.838 4.450 1.00 0.00 C ATOM 311 CG LYS A 22 -10.296 -9.858 5.903 1.00 0.00 C ATOM 312 CD LYS A 22 -9.779 -8.647 6.661 1.00 0.00 C ATOM 313 CE LYS A 22 -9.814 -8.874 8.164 1.00 0.00 C ATOM 314 NZ LYS A 22 -8.896 -9.970 8.581 1.00 0.00 N ATOM 0 H LYS A 22 -7.937 -8.253 4.503 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.168 -11.075 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.972 -8.829 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.505 -10.488 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.385 -9.881 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.937 -10.769 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.758 -8.430 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.382 -7.774 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.537 -7.953 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.831 -9.116 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.618 -9.831 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.380 -10.885 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.048 -9.960 7.979 1.00 0.00 H new ATOM 328 N LEU A 23 -7.843 -9.952 1.911 1.00 0.00 N ATOM 329 CA LEU A 23 -7.632 -10.349 0.524 1.00 0.00 C ATOM 330 C LEU A 23 -6.303 -11.080 0.362 1.00 0.00 C ATOM 331 O LEU A 23 -6.249 -12.174 -0.198 1.00 0.00 O ATOM 332 CB LEU A 23 -7.667 -9.122 -0.390 1.00 0.00 C ATOM 333 CG LEU A 23 -9.036 -8.452 -0.524 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.881 -6.948 -0.688 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.804 -9.042 -1.696 1.00 0.00 C ATOM 0 H LEU A 23 -7.682 -8.962 2.096 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.436 -11.029 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.955 -8.387 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.325 -9.417 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.603 -8.640 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.865 -6.489 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.371 -6.538 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.296 -6.738 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.775 -8.554 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.241 -8.885 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.947 -10.111 -1.536 1.00 0.00 H new ATOM 347 N LEU A 24 -5.233 -10.465 0.856 1.00 0.00 N ATOM 348 CA LEU A 24 -3.902 -11.057 0.768 1.00 0.00 C ATOM 349 C LEU A 24 -3.857 -12.410 1.471 1.00 0.00 C ATOM 350 O LEU A 24 -3.061 -13.279 1.116 1.00 0.00 O ATOM 351 CB LEU A 24 -2.863 -10.116 1.378 1.00 0.00 C ATOM 352 CG LEU A 24 -2.865 -8.694 0.816 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.200 -7.733 1.788 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.168 -8.655 -0.537 1.00 0.00 C ATOM 0 H LEU A 24 -5.261 -9.558 1.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.670 -11.211 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.030 -10.065 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.873 -10.547 1.229 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.900 -8.380 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.211 -6.727 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.742 -7.739 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.169 -8.043 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.179 -7.635 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.137 -8.990 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.689 -9.312 -1.234 1.00 0.00 H new ATOM 366 N GLU A 25 -4.714 -12.581 2.474 1.00 0.00 N ATOM 367 CA GLU A 25 -4.771 -13.829 3.228 1.00 0.00 C ATOM 368 C GLU A 25 -5.038 -15.017 2.307 1.00 0.00 C ATOM 369 O GLU A 25 -4.663 -16.150 2.614 1.00 0.00 O ATOM 370 CB GLU A 25 -5.855 -13.746 4.306 1.00 0.00 C ATOM 371 CG GLU A 25 -5.339 -14.025 5.709 1.00 0.00 C ATOM 372 CD GLU A 25 -5.739 -15.397 6.216 1.00 0.00 C ATOM 373 OE1 GLU A 25 -6.956 -15.656 6.329 1.00 0.00 O ATOM 374 OE2 GLU A 25 -4.837 -16.211 6.500 1.00 0.00 O ATOM 0 H GLU A 25 -5.378 -11.871 2.783 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.803 -13.980 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.303 -12.753 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.646 -14.458 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.252 -13.942 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.721 -13.265 6.390 1.00 0.00 H new ATOM 381 N ILE A 26 -5.686 -14.754 1.177 1.00 0.00 N ATOM 382 CA ILE A 26 -6.000 -15.804 0.215 1.00 0.00 C ATOM 383 C ILE A 26 -4.724 -16.441 -0.336 1.00 0.00 C ATOM 384 O ILE A 26 -3.908 -15.768 -0.965 1.00 0.00 O ATOM 385 CB ILE A 26 -6.837 -15.258 -0.961 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.085 -14.541 -0.441 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.226 -16.386 -1.907 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.656 -13.538 -1.419 1.00 0.00 C ATOM 0 H ILE A 26 -6.004 -13.824 0.905 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.582 -16.558 0.746 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.230 -14.540 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.849 -15.282 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.839 -14.030 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.816 -15.983 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.326 -16.857 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.816 -17.127 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.538 -13.068 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.908 -12.775 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.933 -14.047 -2.342 1.00 0.00 H new ATOM 400 N PRO A 27 -4.531 -17.755 -0.107 1.00 0.00 N ATOM 401 CA PRO A 27 -3.344 -18.470 -0.585 1.00 0.00 C ATOM 402 C PRO A 27 -3.390 -18.730 -2.089 1.00 0.00 C ATOM 403 O PRO A 27 -3.382 -19.879 -2.532 1.00 0.00 O ATOM 404 CB PRO A 27 -3.396 -19.788 0.187 1.00 0.00 C ATOM 405 CG PRO A 27 -4.844 -20.010 0.453 1.00 0.00 C ATOM 406 CD PRO A 27 -5.449 -18.643 0.634 1.00 0.00 C ATOM 0 HA PRO A 27 -2.429 -17.900 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.970 -20.605 -0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.827 -19.727 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.316 -20.539 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.987 -20.621 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.462 -18.597 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.510 -18.368 1.687 1.00 0.00 H new ATOM 414 N ASP A 28 -3.438 -17.655 -2.870 1.00 0.00 N ATOM 415 CA ASP A 28 -3.485 -17.767 -4.323 1.00 0.00 C ATOM 416 C ASP A 28 -2.200 -17.233 -4.952 1.00 0.00 C ATOM 417 O ASP A 28 -1.594 -16.292 -4.440 1.00 0.00 O ATOM 418 CB ASP A 28 -4.692 -17.007 -4.875 1.00 0.00 C ATOM 419 CG ASP A 28 -5.915 -17.892 -5.020 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.476 -18.304 -3.984 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.311 -18.172 -6.171 1.00 0.00 O ATOM 0 H ASP A 28 -3.445 -16.697 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.582 -18.822 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.927 -16.173 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.437 -16.582 -5.846 1.00 0.00 H new ATOM 426 N PRO A 29 -1.765 -17.830 -6.075 1.00 0.00 N ATOM 427 CA PRO A 29 -0.545 -17.409 -6.771 1.00 0.00 C ATOM 428 C PRO A 29 -0.525 -15.911 -7.057 1.00 0.00 C ATOM 429 O PRO A 29 0.428 -15.214 -6.707 1.00 0.00 O ATOM 430 CB PRO A 29 -0.590 -18.202 -8.079 1.00 0.00 C ATOM 431 CG PRO A 29 -1.408 -19.405 -7.765 1.00 0.00 C ATOM 432 CD PRO A 29 -2.427 -18.960 -6.753 1.00 0.00 C ATOM 0 HA PRO A 29 0.348 -17.595 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.039 -17.617 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.411 -18.479 -8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.892 -19.793 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.786 -20.207 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.358 -18.653 -7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.674 -19.759 -6.054 1.00 0.00 H new ATOM 440 N ASP A 30 -1.581 -15.422 -7.699 1.00 0.00 N ATOM 441 CA ASP A 30 -1.683 -14.006 -8.034 1.00 0.00 C ATOM 442 C ASP A 30 -2.640 -13.287 -7.088 1.00 0.00 C ATOM 443 O ASP A 30 -3.337 -12.354 -7.487 1.00 0.00 O ATOM 444 CB ASP A 30 -2.153 -13.838 -9.480 1.00 0.00 C ATOM 445 CG ASP A 30 -0.996 -13.736 -10.455 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.328 -14.764 -10.692 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.760 -12.629 -10.983 1.00 0.00 O ATOM 0 H ASP A 30 -2.378 -15.985 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.694 -13.560 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.783 -14.684 -9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.770 -12.943 -9.557 1.00 0.00 H new ATOM 452 N LYS A 31 -2.668 -13.725 -5.834 1.00 0.00 N ATOM 453 CA LYS A 31 -3.541 -13.120 -4.834 1.00 0.00 C ATOM 454 C LYS A 31 -3.071 -13.460 -3.422 1.00 0.00 C ATOM 455 O LYS A 31 -3.881 -13.723 -2.533 1.00 0.00 O ATOM 456 CB LYS A 31 -4.982 -13.590 -5.034 1.00 0.00 C ATOM 457 CG LYS A 31 -5.777 -12.722 -5.995 1.00 0.00 C ATOM 458 CD LYS A 31 -7.269 -13.004 -5.898 1.00 0.00 C ATOM 459 CE LYS A 31 -7.975 -12.726 -7.214 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.283 -13.432 -7.303 1.00 0.00 N ATOM 0 H LYS A 31 -2.097 -14.495 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.500 -12.038 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.973 -14.615 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.488 -13.606 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.590 -11.671 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.437 -12.902 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.426 -14.044 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.706 -12.388 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.134 -11.653 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.337 -13.038 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.733 -13.216 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.130 -14.458 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.902 -13.116 -6.529 1.00 0.00 H new ATOM 474 N ASN A 32 -1.756 -13.453 -3.223 1.00 0.00 N ATOM 475 CA ASN A 32 -1.179 -13.758 -1.919 1.00 0.00 C ATOM 476 C ASN A 32 -0.372 -12.575 -1.391 1.00 0.00 C ATOM 477 O ASN A 32 0.100 -11.740 -2.162 1.00 0.00 O ATOM 478 CB ASN A 32 -0.288 -14.999 -2.010 1.00 0.00 C ATOM 479 CG ASN A 32 0.292 -15.395 -0.666 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.474 -15.172 -0.397 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.536 -15.986 0.186 1.00 0.00 N ATOM 0 H ASN A 32 -1.071 -13.240 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.996 -13.956 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.868 -15.830 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.524 -14.809 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.201 -16.275 1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.507 -16.151 -0.078 1.00 0.00 H new ATOM 488 N TRP A 33 -0.218 -12.512 -0.073 1.00 0.00 N ATOM 489 CA TRP A 33 0.532 -11.432 0.558 1.00 0.00 C ATOM 490 C TRP A 33 1.982 -11.430 0.087 1.00 0.00 C ATOM 491 O TRP A 33 2.571 -10.371 -0.138 1.00 0.00 O ATOM 492 CB TRP A 33 0.478 -11.567 2.081 1.00 0.00 C ATOM 493 CG TRP A 33 0.919 -12.912 2.574 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.132 -14.006 2.787 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.253 -13.304 2.920 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.893 -15.055 3.241 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.199 -14.650 3.331 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.488 -12.649 2.918 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.332 -15.350 3.738 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.612 -13.346 3.322 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.527 -14.684 3.726 1.00 0.00 C ATOM 0 H TRP A 33 -0.602 -13.196 0.579 1.00 0.00 H new ATOM 0 HA TRP A 33 0.073 -10.487 0.268 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.108 -10.799 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.541 -11.380 2.419 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.935 -14.042 2.622 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.543 -15.984 3.473 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.563 -11.618 2.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.270 -16.382 4.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.571 -12.850 3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.424 -15.201 4.035 1.00 0.00 H new ATOM 512 N ALA A 34 2.555 -12.620 -0.058 1.00 0.00 N ATOM 513 CA ALA A 34 3.937 -12.755 -0.503 1.00 0.00 C ATOM 514 C ALA A 34 4.123 -12.170 -1.899 1.00 0.00 C ATOM 515 O ALA A 34 5.129 -11.518 -2.180 1.00 0.00 O ATOM 516 CB ALA A 34 4.358 -14.216 -0.480 1.00 0.00 C ATOM 0 H ALA A 34 2.083 -13.505 0.126 1.00 0.00 H new ATOM 0 HA ALA A 34 4.571 -12.195 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.392 -14.302 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.272 -14.604 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.713 -14.791 -1.144 1.00 0.00 H new ATOM 522 N THR A 35 3.148 -12.409 -2.771 1.00 0.00 N ATOM 523 CA THR A 35 3.206 -11.906 -4.139 1.00 0.00 C ATOM 524 C THR A 35 3.223 -10.381 -4.158 1.00 0.00 C ATOM 525 O THR A 35 3.987 -9.769 -4.903 1.00 0.00 O ATOM 526 CB THR A 35 2.015 -12.424 -4.944 1.00 0.00 C ATOM 527 OG1 THR A 35 1.725 -13.769 -4.604 1.00 0.00 O ATOM 528 CG2 THR A 35 2.234 -12.368 -6.441 1.00 0.00 C ATOM 0 H THR A 35 2.309 -12.947 -2.555 1.00 0.00 H new ATOM 0 HA THR A 35 4.128 -12.267 -4.594 1.00 0.00 H new ATOM 0 HB THR A 35 1.186 -11.764 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.282 -14.209 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.351 -12.750 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.411 -11.336 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.098 -12.977 -6.705 1.00 0.00 H new ATOM 536 N LEU A 36 2.374 -9.775 -3.335 1.00 0.00 N ATOM 537 CA LEU A 36 2.292 -8.321 -3.257 1.00 0.00 C ATOM 538 C LEU A 36 3.588 -7.732 -2.710 1.00 0.00 C ATOM 539 O LEU A 36 3.992 -6.633 -3.092 1.00 0.00 O ATOM 540 CB LEU A 36 1.115 -7.902 -2.374 1.00 0.00 C ATOM 541 CG LEU A 36 0.850 -6.397 -2.318 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.174 -5.927 -3.597 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.000 -6.051 -1.105 1.00 0.00 C ATOM 0 H LEU A 36 1.733 -10.268 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 36 2.136 -7.936 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.215 -8.401 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.295 -8.262 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 36 1.806 -5.881 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.007 -4.854 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.819 -6.141 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.775 -6.449 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.179 -4.976 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.953 -6.576 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.522 -6.352 -0.197 1.00 0.00 H new ATOM 555 N ALA A 37 4.235 -8.469 -1.815 1.00 0.00 N ATOM 556 CA ALA A 37 5.486 -8.020 -1.216 1.00 0.00 C ATOM 557 C ALA A 37 6.556 -7.801 -2.281 1.00 0.00 C ATOM 558 O ALA A 37 7.417 -6.933 -2.140 1.00 0.00 O ATOM 559 CB ALA A 37 5.967 -9.027 -0.182 1.00 0.00 C ATOM 0 H ALA A 37 3.914 -9.380 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 37 5.302 -7.067 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.902 -8.679 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.215 -9.132 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.129 -9.992 -0.662 1.00 0.00 H new ATOM 565 N GLN A 38 6.494 -8.593 -3.347 1.00 0.00 N ATOM 566 CA GLN A 38 7.456 -8.485 -4.436 1.00 0.00 C ATOM 567 C GLN A 38 7.130 -7.296 -5.335 1.00 0.00 C ATOM 568 O GLN A 38 8.027 -6.609 -5.823 1.00 0.00 O ATOM 569 CB GLN A 38 7.472 -9.774 -5.261 1.00 0.00 C ATOM 570 CG GLN A 38 8.485 -10.796 -4.771 1.00 0.00 C ATOM 571 CD GLN A 38 9.649 -10.968 -5.726 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.236 -9.991 -6.190 1.00 0.00 O ATOM 573 NE2 GLN A 38 9.989 -12.216 -6.027 1.00 0.00 N ATOM 0 H GLN A 38 5.787 -9.316 -3.479 1.00 0.00 H new ATOM 0 HA GLN A 38 8.443 -8.328 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.478 -10.221 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.690 -9.528 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.863 -10.489 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.989 -11.756 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.475 -12.997 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.764 -12.393 -6.666 1.00 0.00 H new ATOM 582 N LYS A 39 5.840 -7.062 -5.552 1.00 0.00 N ATOM 583 CA LYS A 39 5.394 -5.958 -6.393 1.00 0.00 C ATOM 584 C LYS A 39 5.736 -4.615 -5.755 1.00 0.00 C ATOM 585 O LYS A 39 6.327 -3.745 -6.394 1.00 0.00 O ATOM 586 CB LYS A 39 3.888 -6.051 -6.637 1.00 0.00 C ATOM 587 CG LYS A 39 3.517 -6.910 -7.835 1.00 0.00 C ATOM 588 CD LYS A 39 3.482 -8.386 -7.473 1.00 0.00 C ATOM 589 CE LYS A 39 3.408 -9.263 -8.712 1.00 0.00 C ATOM 590 NZ LYS A 39 4.303 -10.450 -8.608 1.00 0.00 N ATOM 0 H LYS A 39 5.085 -7.623 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 39 5.914 -6.029 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.409 -6.458 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.489 -5.047 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.542 -6.604 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.237 -6.748 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.372 -8.642 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.622 -8.584 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.381 -9.595 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.683 -8.677 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.961 -11.199 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.270 -10.180 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.303 -10.800 -7.629 1.00 0.00 H new ATOM 604 N LEU A 40 5.359 -4.453 -4.490 1.00 0.00 N ATOM 605 CA LEU A 40 5.626 -3.217 -3.765 1.00 0.00 C ATOM 606 C LEU A 40 7.126 -2.960 -3.659 1.00 0.00 C ATOM 607 O LEU A 40 7.646 -2.010 -4.246 1.00 0.00 O ATOM 608 CB LEU A 40 5.007 -3.276 -2.368 1.00 0.00 C ATOM 609 CG LEU A 40 3.507 -3.571 -2.337 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.062 -3.928 -0.927 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.719 -2.379 -2.860 1.00 0.00 C ATOM 0 H LEU A 40 4.868 -5.163 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 40 5.174 -2.395 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.524 -4.042 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.185 -2.324 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 40 3.311 -4.425 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.992 -4.135 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.603 -4.811 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.272 -3.094 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.653 -2.606 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.921 -1.508 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.017 -2.168 -3.887 1.00 0.00 H new ATOM 623 N GLY A 41 7.816 -3.812 -2.908 1.00 0.00 N ATOM 624 CA GLY A 41 9.249 -3.660 -2.741 1.00 0.00 C ATOM 625 C GLY A 41 9.738 -4.205 -1.413 1.00 0.00 C ATOM 626 O GLY A 41 10.537 -3.566 -0.728 1.00 0.00 O ATOM 0 H GLY A 41 7.408 -4.605 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.763 -4.174 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.511 -2.605 -2.816 1.00 0.00 H new ATOM 630 N LEU A 42 9.258 -5.390 -1.049 1.00 0.00 N ATOM 631 CA LEU A 42 9.652 -6.021 0.205 1.00 0.00 C ATOM 632 C LEU A 42 9.811 -7.528 0.029 1.00 0.00 C ATOM 633 O LEU A 42 9.574 -8.300 0.959 1.00 0.00 O ATOM 634 CB LEU A 42 8.618 -5.729 1.293 1.00 0.00 C ATOM 635 CG LEU A 42 8.171 -4.269 1.386 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.903 -4.151 2.216 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.279 -3.410 1.978 1.00 0.00 C ATOM 0 H LEU A 42 8.596 -5.932 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 42 10.614 -5.605 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.741 -6.351 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.032 -6.029 2.256 1.00 0.00 H new ATOM 0 HG LEU A 42 7.957 -3.909 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.600 -3.105 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.108 -4.735 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.090 -4.528 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.944 -2.374 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.524 -3.770 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.164 -3.470 1.344 1.00 0.00 H new ATOM 649 N GLY A 43 10.213 -7.940 -1.169 1.00 0.00 N ATOM 650 CA GLY A 43 10.396 -9.352 -1.445 1.00 0.00 C ATOM 651 C GLY A 43 11.506 -9.967 -0.614 1.00 0.00 C ATOM 652 O GLY A 43 11.500 -11.169 -0.351 1.00 0.00 O ATOM 0 H GLY A 43 10.415 -7.320 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.464 -9.881 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.622 -9.486 -2.503 1.00 0.00 H new ATOM 656 N ILE A 44 12.462 -9.141 -0.202 1.00 0.00 N ATOM 657 CA ILE A 44 13.583 -9.611 0.603 1.00 0.00 C ATOM 658 C ILE A 44 13.138 -9.938 2.026 1.00 0.00 C ATOM 659 O ILE A 44 13.688 -10.832 2.669 1.00 0.00 O ATOM 660 CB ILE A 44 14.716 -8.566 0.651 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.940 -9.133 1.375 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.237 -7.289 1.328 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.971 -9.728 0.443 1.00 0.00 C ATOM 0 H ILE A 44 12.483 -8.143 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 44 13.959 -10.518 0.129 1.00 0.00 H new ATOM 0 HB ILE A 44 15.004 -8.324 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.406 -8.340 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.613 -9.899 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.050 -6.563 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.397 -6.874 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.920 -7.514 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.810 -10.110 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.521 -10.543 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.326 -8.960 -0.245 1.00 0.00 H new ATOM 675 N LEU A 45 12.138 -9.209 2.510 1.00 0.00 N ATOM 676 CA LEU A 45 11.619 -9.421 3.857 1.00 0.00 C ATOM 677 C LEU A 45 10.367 -10.291 3.828 1.00 0.00 C ATOM 678 O LEU A 45 9.479 -10.145 4.668 1.00 0.00 O ATOM 679 CB LEU A 45 11.307 -8.080 4.522 1.00 0.00 C ATOM 680 CG LEU A 45 12.529 -7.292 4.995 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.112 -5.928 5.524 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.284 -8.071 6.062 1.00 0.00 C ATOM 0 H LEU A 45 11.671 -8.466 1.990 1.00 0.00 H new ATOM 0 HA LEU A 45 12.384 -9.937 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.747 -7.464 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.656 -8.259 5.377 1.00 0.00 H new ATOM 0 HG LEU A 45 13.193 -7.142 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.995 -5.381 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.614 -5.367 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.428 -6.057 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.151 -7.496 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.628 -8.252 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.615 -9.024 5.650 1.00 0.00 H new ATOM 694 N ASN A 46 10.301 -11.196 2.857 1.00 0.00 N ATOM 695 CA ASN A 46 9.156 -12.089 2.720 1.00 0.00 C ATOM 696 C ASN A 46 9.129 -13.115 3.849 1.00 0.00 C ATOM 697 O ASN A 46 8.087 -13.356 4.457 1.00 0.00 O ATOM 698 CB ASN A 46 9.196 -12.800 1.367 1.00 0.00 C ATOM 699 CG ASN A 46 7.824 -12.905 0.729 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.910 -13.509 1.289 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.675 -12.316 -0.453 1.00 0.00 N ATOM 0 H ASN A 46 11.027 -11.330 2.153 1.00 0.00 H new ATOM 0 HA ASN A 46 8.248 -11.488 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.866 -12.262 0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.611 -13.800 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.775 -12.354 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.460 -11.826 -0.881 1.00 0.00 H new ATOM 708 N ASN A 47 10.282 -13.716 4.122 1.00 0.00 N ATOM 709 CA ASN A 47 10.391 -14.717 5.177 1.00 0.00 C ATOM 710 C ASN A 47 10.044 -14.115 6.535 1.00 0.00 C ATOM 711 O ASN A 47 9.512 -14.799 7.411 1.00 0.00 O ATOM 712 CB ASN A 47 11.805 -15.300 5.212 1.00 0.00 C ATOM 713 CG ASN A 47 11.976 -16.454 4.244 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.000 -17.063 3.806 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.223 -16.763 3.906 1.00 0.00 N ATOM 0 H ASN A 47 11.154 -13.528 3.628 1.00 0.00 H new ATOM 0 HA ASN A 47 9.681 -15.516 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.524 -14.517 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.030 -15.640 6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.401 -17.532 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.003 -16.232 4.293 1.00 0.00 H new ATOM 722 N ALA A 48 10.349 -12.833 6.704 1.00 0.00 N ATOM 723 CA ALA A 48 10.068 -12.139 7.955 1.00 0.00 C ATOM 724 C ALA A 48 8.570 -12.089 8.232 1.00 0.00 C ATOM 725 O ALA A 48 8.121 -12.407 9.333 1.00 0.00 O ATOM 726 CB ALA A 48 10.648 -10.733 7.919 1.00 0.00 C ATOM 0 H ALA A 48 10.791 -12.254 5.990 1.00 0.00 H new ATOM 0 HA ALA A 48 10.541 -12.695 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.431 -10.226 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.727 -10.788 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.202 -10.176 7.095 1.00 0.00 H new ATOM 732 N PHE A 49 7.801 -11.686 7.226 1.00 0.00 N ATOM 733 CA PHE A 49 6.352 -11.594 7.360 1.00 0.00 C ATOM 734 C PHE A 49 5.744 -12.963 7.645 1.00 0.00 C ATOM 735 O PHE A 49 4.754 -13.075 8.367 1.00 0.00 O ATOM 736 CB PHE A 49 5.738 -11.004 6.089 1.00 0.00 C ATOM 737 CG PHE A 49 6.393 -9.730 5.640 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.586 -8.685 6.529 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.815 -9.577 4.330 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.189 -7.511 6.119 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.418 -8.405 3.913 1.00 0.00 C ATOM 742 CZ PHE A 49 7.605 -7.370 4.810 1.00 0.00 C ATOM 0 H PHE A 49 8.157 -11.418 6.309 1.00 0.00 H new ATOM 0 HA PHE A 49 6.131 -10.937 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.806 -11.740 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.678 -10.817 6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.262 -8.789 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.671 -10.383 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.335 -6.704 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.742 -8.298 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.076 -6.453 4.488 1.00 0.00 H new ATOM 752 N ARG A 50 6.345 -14.002 7.073 1.00 0.00 N ATOM 753 CA ARG A 50 5.861 -15.365 7.266 1.00 0.00 C ATOM 754 C ARG A 50 5.894 -15.749 8.741 1.00 0.00 C ATOM 755 O ARG A 50 4.962 -16.372 9.251 1.00 0.00 O ATOM 756 CB ARG A 50 6.705 -16.347 6.451 1.00 0.00 C ATOM 757 CG ARG A 50 5.931 -17.571 5.986 1.00 0.00 C ATOM 758 CD ARG A 50 6.842 -18.777 5.827 1.00 0.00 C ATOM 759 NE ARG A 50 6.136 -20.032 6.070 1.00 0.00 N ATOM 760 CZ ARG A 50 5.844 -20.495 7.284 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.195 -19.810 8.365 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.198 -21.645 7.417 1.00 0.00 N ATOM 0 H ARG A 50 7.166 -13.927 6.473 1.00 0.00 H new ATOM 0 HA ARG A 50 4.828 -15.411 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.110 -15.831 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.554 -16.671 7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.144 -17.800 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.442 -17.355 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.260 -18.785 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.680 -18.692 6.519 1.00 0.00 H new ATOM 0 HE ARG A 50 5.850 -20.586 5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.691 -18.924 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.969 -20.169 9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.925 -22.175 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.974 -22.000 8.347 1.00 0.00 H new ATOM 776 N LEU A 51 6.971 -15.374 9.422 1.00 0.00 N ATOM 777 CA LEU A 51 7.124 -15.679 10.839 1.00 0.00 C ATOM 778 C LEU A 51 6.065 -14.959 11.667 1.00 0.00 C ATOM 779 O LEU A 51 5.539 -15.507 12.634 1.00 0.00 O ATOM 780 CB LEU A 51 8.522 -15.285 11.321 1.00 0.00 C ATOM 781 CG LEU A 51 9.606 -16.339 11.090 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.984 -15.694 11.091 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.524 -17.427 12.150 1.00 0.00 C ATOM 0 H LEU A 51 7.751 -14.858 9.015 1.00 0.00 H new ATOM 0 HA LEU A 51 6.993 -16.753 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.818 -14.365 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.473 -15.063 12.387 1.00 0.00 H new ATOM 0 HG LEU A 51 9.442 -16.796 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.743 -16.458 10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.038 -14.950 10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.159 -15.211 12.052 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.302 -18.169 11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.664 -16.985 13.137 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.547 -17.908 12.103 1.00 0.00 H new ATOM 795 N SER A 52 5.758 -13.726 11.278 1.00 0.00 N ATOM 796 CA SER A 52 4.761 -12.929 11.981 1.00 0.00 C ATOM 797 C SER A 52 3.397 -13.615 11.950 1.00 0.00 C ATOM 798 O SER A 52 3.118 -14.420 11.060 1.00 0.00 O ATOM 799 CB SER A 52 4.659 -11.537 11.355 1.00 0.00 C ATOM 800 OG SER A 52 5.924 -11.088 10.901 1.00 0.00 O ATOM 0 H SER A 52 6.186 -13.257 10.479 1.00 0.00 H new ATOM 0 HA SER A 52 5.075 -12.831 13.020 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.957 -11.560 10.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.261 -10.834 12.087 1.00 0.00 H new ATOM 0 HG SER A 52 6.306 -10.469 11.558 1.00 0.00 H new ATOM 806 N PRO A 53 2.524 -13.305 12.924 1.00 0.00 N ATOM 807 CA PRO A 53 1.183 -13.896 13.000 1.00 0.00 C ATOM 808 C PRO A 53 0.318 -13.521 11.800 1.00 0.00 C ATOM 809 O PRO A 53 -0.598 -14.255 11.431 1.00 0.00 O ATOM 810 CB PRO A 53 0.597 -13.307 14.288 1.00 0.00 C ATOM 811 CG PRO A 53 1.392 -12.073 14.545 1.00 0.00 C ATOM 812 CD PRO A 53 2.771 -12.355 14.022 1.00 0.00 C ATOM 0 HA PRO A 53 1.220 -14.985 12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.462 -13.077 14.171 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.680 -14.010 15.117 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.952 -11.213 14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.418 -11.840 15.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.261 -11.448 13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.413 -12.785 14.790 1.00 0.00 H new ATOM 820 N ALA A 54 0.617 -12.376 11.196 1.00 0.00 N ATOM 821 CA ALA A 54 -0.133 -11.905 10.037 1.00 0.00 C ATOM 822 C ALA A 54 0.801 -11.329 8.977 1.00 0.00 C ATOM 823 O ALA A 54 1.047 -10.123 8.943 1.00 0.00 O ATOM 824 CB ALA A 54 -1.160 -10.866 10.461 1.00 0.00 C ATOM 0 H ALA A 54 1.373 -11.757 11.489 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.654 -12.757 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.713 -10.523 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.852 -11.310 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.652 -10.020 10.924 1.00 0.00 H new ATOM 830 N PRO A 55 1.338 -12.188 8.094 1.00 0.00 N ATOM 831 CA PRO A 55 2.251 -11.758 7.028 1.00 0.00 C ATOM 832 C PRO A 55 1.686 -10.599 6.215 1.00 0.00 C ATOM 833 O PRO A 55 2.434 -9.791 5.666 1.00 0.00 O ATOM 834 CB PRO A 55 2.390 -13.007 6.155 1.00 0.00 C ATOM 835 CG PRO A 55 2.117 -14.145 7.077 1.00 0.00 C ATOM 836 CD PRO A 55 1.099 -13.644 8.063 1.00 0.00 C ATOM 0 HA PRO A 55 3.198 -11.392 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.683 -12.991 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.388 -13.079 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.738 -15.008 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.028 -14.463 7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.083 -13.877 7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.236 -14.094 9.046 1.00 0.00 H new ATOM 844 N SER A 56 0.361 -10.524 6.141 1.00 0.00 N ATOM 845 CA SER A 56 -0.304 -9.463 5.395 1.00 0.00 C ATOM 846 C SER A 56 -0.323 -8.165 6.197 1.00 0.00 C ATOM 847 O SER A 56 -0.288 -7.073 5.630 1.00 0.00 O ATOM 848 CB SER A 56 -1.733 -9.878 5.041 1.00 0.00 C ATOM 849 OG SER A 56 -2.257 -10.777 6.003 1.00 0.00 O ATOM 0 H SER A 56 -0.273 -11.186 6.589 1.00 0.00 H new ATOM 0 HA SER A 56 0.256 -9.293 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.368 -8.994 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.746 -10.346 4.057 1.00 0.00 H new ATOM 0 HG SER A 56 -3.172 -11.025 5.754 1.00 0.00 H new ATOM 855 N LYS A 57 -0.377 -8.293 7.518 1.00 0.00 N ATOM 856 CA LYS A 57 -0.400 -7.131 8.399 1.00 0.00 C ATOM 857 C LYS A 57 1.004 -6.573 8.600 1.00 0.00 C ATOM 858 O LYS A 57 1.213 -5.360 8.567 1.00 0.00 O ATOM 859 CB LYS A 57 -1.013 -7.502 9.750 1.00 0.00 C ATOM 860 CG LYS A 57 -1.800 -6.373 10.393 1.00 0.00 C ATOM 861 CD LYS A 57 -1.953 -6.582 11.891 1.00 0.00 C ATOM 862 CE LYS A 57 -2.914 -5.573 12.499 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.305 -6.103 12.568 1.00 0.00 N ATOM 0 H LYS A 57 -0.406 -9.190 8.003 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.013 -6.362 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.670 -8.362 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.217 -7.811 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.296 -5.425 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.785 -6.306 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.315 -7.592 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.979 -6.495 12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.576 -5.308 13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.903 -4.658 11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.929 -5.385 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.637 -6.332 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.321 -6.962 13.154 1.00 0.00 H new ATOM 877 N THR A 58 1.966 -7.466 8.811 1.00 0.00 N ATOM 878 CA THR A 58 3.352 -7.063 9.018 1.00 0.00 C ATOM 879 C THR A 58 3.900 -6.341 7.790 1.00 0.00 C ATOM 880 O THR A 58 4.758 -5.466 7.904 1.00 0.00 O ATOM 881 CB THR A 58 4.217 -8.284 9.336 1.00 0.00 C ATOM 882 OG1 THR A 58 3.587 -9.106 10.301 1.00 0.00 O ATOM 883 CG2 THR A 58 5.589 -7.924 9.864 1.00 0.00 C ATOM 0 H THR A 58 1.811 -8.474 8.843 1.00 0.00 H new ATOM 0 HA THR A 58 3.382 -6.375 9.863 1.00 0.00 H new ATOM 0 HB THR A 58 4.337 -8.809 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.861 -8.825 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.151 -8.835 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.121 -7.330 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.485 -7.347 10.783 1.00 0.00 H new ATOM 891 N LEU A 59 3.399 -6.715 6.617 1.00 0.00 N ATOM 892 CA LEU A 59 3.839 -6.102 5.368 1.00 0.00 C ATOM 893 C LEU A 59 3.561 -4.602 5.371 1.00 0.00 C ATOM 894 O LEU A 59 4.424 -3.801 5.015 1.00 0.00 O ATOM 895 CB LEU A 59 3.140 -6.760 4.177 1.00 0.00 C ATOM 896 CG LEU A 59 3.663 -6.336 2.804 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.036 -6.938 2.546 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.687 -6.745 1.712 1.00 0.00 C ATOM 0 H LEU A 59 2.689 -7.439 6.505 1.00 0.00 H new ATOM 0 HA LEU A 59 4.915 -6.254 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.240 -7.842 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.075 -6.533 4.229 1.00 0.00 H new ATOM 0 HG LEU A 59 3.757 -5.250 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.392 -6.625 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.733 -6.595 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.968 -8.025 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.076 -6.435 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.561 -7.828 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.724 -6.266 1.887 1.00 0.00 H new ATOM 910 N MET A 60 2.350 -4.231 5.774 1.00 0.00 N ATOM 911 CA MET A 60 1.958 -2.827 5.822 1.00 0.00 C ATOM 912 C MET A 60 2.734 -2.084 6.905 1.00 0.00 C ATOM 913 O MET A 60 3.006 -0.890 6.779 1.00 0.00 O ATOM 914 CB MET A 60 0.455 -2.704 6.078 1.00 0.00 C ATOM 915 CG MET A 60 -0.399 -3.068 4.875 1.00 0.00 C ATOM 916 SD MET A 60 -0.083 -2.005 3.453 1.00 0.00 S ATOM 917 CE MET A 60 -0.493 -3.112 2.106 1.00 0.00 C ATOM 0 H MET A 60 1.624 -4.882 6.072 1.00 0.00 H new ATOM 0 HA MET A 60 2.192 -2.376 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.183 -3.348 6.914 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.229 -1.681 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.208 -4.105 4.599 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.452 -3.000 5.148 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.225 -2.981 1.296 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.458 -4.143 2.459 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.496 -2.887 1.742 1.00 0.00 H new ATOM 927 N ASP A 61 3.087 -2.798 7.969 1.00 0.00 N ATOM 928 CA ASP A 61 3.832 -2.205 9.073 1.00 0.00 C ATOM 929 C ASP A 61 5.276 -1.925 8.668 1.00 0.00 C ATOM 930 O ASP A 61 5.893 -0.976 9.149 1.00 0.00 O ATOM 931 CB ASP A 61 3.799 -3.132 10.291 1.00 0.00 C ATOM 932 CG ASP A 61 3.412 -2.402 11.563 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.244 -1.975 11.671 1.00 0.00 O ATOM 934 OD2 ASP A 61 4.279 -2.257 12.451 1.00 0.00 O ATOM 0 H ASP A 61 2.869 -3.787 8.090 1.00 0.00 H new ATOM 0 HA ASP A 61 3.359 -1.258 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.091 -3.941 10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.779 -3.590 10.422 1.00 0.00 H new ATOM 939 N ASN A 62 5.809 -2.761 7.781 1.00 0.00 N ATOM 940 CA ASN A 62 7.180 -2.604 7.311 1.00 0.00 C ATOM 941 C ASN A 62 7.240 -1.658 6.116 1.00 0.00 C ATOM 942 O ASN A 62 8.227 -0.949 5.922 1.00 0.00 O ATOM 943 CB ASN A 62 7.770 -3.963 6.931 1.00 0.00 C ATOM 944 CG ASN A 62 8.325 -4.708 8.129 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.526 -4.968 8.210 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.452 -5.054 9.068 1.00 0.00 N ATOM 0 H ASN A 62 5.312 -3.553 7.374 1.00 0.00 H new ATOM 0 HA ASN A 62 7.769 -2.174 8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.000 -4.570 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.563 -3.819 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.768 -5.556 9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.466 -4.818 8.959 1.00 0.00 H new ATOM 953 N TYR A 63 6.179 -1.654 5.317 1.00 0.00 N ATOM 954 CA TYR A 63 6.111 -0.796 4.139 1.00 0.00 C ATOM 955 C TYR A 63 5.928 0.664 4.540 1.00 0.00 C ATOM 956 O TYR A 63 6.437 1.569 3.878 1.00 0.00 O ATOM 957 CB TYR A 63 4.963 -1.235 3.229 1.00 0.00 C ATOM 958 CG TYR A 63 5.134 -0.806 1.788 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.322 -1.046 1.109 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.108 -0.161 1.109 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.482 -0.656 -0.207 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.261 0.232 -0.207 1.00 0.00 C ATOM 963 CZ TYR A 63 5.448 -0.018 -0.860 1.00 0.00 C ATOM 964 OH TYR A 63 5.604 0.372 -2.171 1.00 0.00 O ATOM 0 H TYR A 63 5.354 -2.235 5.463 1.00 0.00 H new ATOM 0 HA TYR A 63 7.052 -0.890 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.874 -2.321 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.029 -0.825 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.133 -1.545 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.176 0.036 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.412 -0.850 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.454 0.733 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 63 4.783 0.806 -2.483 1.00 0.00 H new ATOM 974 N GLU A 64 5.197 0.887 5.628 1.00 0.00 N ATOM 975 CA GLU A 64 4.947 2.238 6.117 1.00 0.00 C ATOM 976 C GLU A 64 6.237 2.888 6.605 1.00 0.00 C ATOM 977 O GLU A 64 6.468 4.076 6.382 1.00 0.00 O ATOM 978 CB GLU A 64 3.917 2.211 7.248 1.00 0.00 C ATOM 979 CG GLU A 64 3.318 3.574 7.556 1.00 0.00 C ATOM 980 CD GLU A 64 2.226 3.505 8.605 1.00 0.00 C ATOM 981 OE1 GLU A 64 2.510 3.042 9.730 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.085 3.916 8.302 1.00 0.00 O ATOM 0 H GLU A 64 4.768 0.150 6.187 1.00 0.00 H new ATOM 0 HA GLU A 64 4.554 2.829 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.115 1.522 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.389 1.818 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.106 4.244 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.911 4.004 6.641 1.00 0.00 H new ATOM 989 N VAL A 65 7.076 2.101 7.271 1.00 0.00 N ATOM 990 CA VAL A 65 8.343 2.600 7.789 1.00 0.00 C ATOM 991 C VAL A 65 9.366 2.770 6.672 1.00 0.00 C ATOM 992 O VAL A 65 10.244 3.630 6.747 1.00 0.00 O ATOM 993 CB VAL A 65 8.923 1.658 8.861 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.141 2.283 9.522 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.863 1.313 9.897 1.00 0.00 C ATOM 0 H VAL A 65 6.900 1.115 7.464 1.00 0.00 H new ATOM 0 HA VAL A 65 8.138 3.570 8.241 1.00 0.00 H new ATOM 0 HB VAL A 65 9.238 0.735 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.536 1.602 10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.906 2.473 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.856 3.223 9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.290 0.647 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.515 2.226 10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.024 0.818 9.408 1.00 0.00 H new ATOM 1005 N SER A 66 9.248 1.946 5.636 1.00 0.00 N ATOM 1006 CA SER A 66 10.163 2.006 4.502 1.00 0.00 C ATOM 1007 C SER A 66 9.553 2.798 3.351 1.00 0.00 C ATOM 1008 O SER A 66 9.821 2.519 2.182 1.00 0.00 O ATOM 1009 CB SER A 66 10.520 0.594 4.033 1.00 0.00 C ATOM 1010 OG SER A 66 10.615 -0.299 5.129 1.00 0.00 O ATOM 0 H SER A 66 8.527 1.228 5.558 1.00 0.00 H new ATOM 0 HA SER A 66 11.071 2.514 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.763 0.238 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.467 0.615 3.494 1.00 0.00 H new ATOM 0 HG SER A 66 9.735 -0.692 5.308 1.00 0.00 H new ATOM 1016 N GLY A 67 8.730 3.785 3.689 1.00 0.00 N ATOM 1017 CA GLY A 67 8.095 4.602 2.671 1.00 0.00 C ATOM 1018 C GLY A 67 6.875 3.934 2.067 1.00 0.00 C ATOM 1019 O GLY A 67 6.954 3.339 0.992 1.00 0.00 O ATOM 0 H GLY A 67 8.491 4.034 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.803 5.558 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.815 4.818 1.882 1.00 0.00 H new ATOM 1023 N GLY A 68 5.745 4.031 2.760 1.00 0.00 N ATOM 1024 CA GLY A 68 4.521 3.427 2.270 1.00 0.00 C ATOM 1025 C GLY A 68 3.642 4.415 1.529 1.00 0.00 C ATOM 1026 O GLY A 68 2.978 5.248 2.144 1.00 0.00 O ATOM 0 H GLY A 68 5.656 4.517 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.769 2.598 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.965 3.009 3.109 1.00 0.00 H new ATOM 1030 N THR A 69 3.640 4.323 0.202 1.00 0.00 N ATOM 1031 CA THR A 69 2.837 5.217 -0.624 1.00 0.00 C ATOM 1032 C THR A 69 1.550 4.533 -1.074 1.00 0.00 C ATOM 1033 O THR A 69 1.338 3.351 -0.804 1.00 0.00 O ATOM 1034 CB THR A 69 3.638 5.675 -1.843 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.572 4.682 -2.231 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.405 6.959 -1.607 1.00 0.00 C ATOM 0 H THR A 69 4.185 3.639 -0.323 1.00 0.00 H new ATOM 0 HA THR A 69 2.573 6.087 -0.023 1.00 0.00 H new ATOM 0 HB THR A 69 2.899 5.850 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.074 4.993 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.951 7.228 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.708 7.758 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.108 6.817 -0.787 1.00 0.00 H new ATOM 1044 N VAL A 70 0.696 5.283 -1.763 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.569 4.749 -2.251 1.00 0.00 C ATOM 1046 C VAL A 70 -0.498 4.454 -3.746 1.00 0.00 C ATOM 1047 O VAL A 70 -1.092 3.489 -4.226 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.732 5.724 -1.986 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.063 5.080 -2.347 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.730 6.180 -0.533 1.00 0.00 C ATOM 0 H VAL A 70 0.858 6.263 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.753 3.822 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.595 6.601 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.872 5.784 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.062 4.810 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.209 4.184 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.559 6.868 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.840 5.314 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.790 6.685 -0.311 1.00 0.00 H new ATOM 1060 N ARG A 71 0.230 5.292 -4.475 1.00 0.00 N ATOM 1061 CA ARG A 71 0.378 5.123 -5.916 1.00 0.00 C ATOM 1062 C ARG A 71 1.000 3.769 -6.242 1.00 0.00 C ATOM 1063 O ARG A 71 0.711 3.177 -7.283 1.00 0.00 O ATOM 1064 CB ARG A 71 1.238 6.246 -6.497 1.00 0.00 C ATOM 1065 CG ARG A 71 0.687 7.637 -6.227 1.00 0.00 C ATOM 1066 CD ARG A 71 0.011 8.219 -7.459 1.00 0.00 C ATOM 1067 NE ARG A 71 -0.358 9.620 -7.271 1.00 0.00 N ATOM 1068 CZ ARG A 71 -1.434 10.020 -6.599 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -2.252 9.130 -6.051 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -1.696 11.314 -6.477 1.00 0.00 N ATOM 0 H ARG A 71 0.727 6.096 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.614 5.166 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.243 6.175 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.328 6.103 -7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.028 7.593 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.496 8.295 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.680 8.132 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.881 7.637 -7.692 1.00 0.00 H new ATOM 0 HE ARG A 71 0.245 10.334 -7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.057 8.133 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.076 9.443 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.073 12.003 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.521 11.621 -5.962 1.00 0.00 H new ATOM 1084 N GLU A 72 1.856 3.285 -5.349 1.00 0.00 N ATOM 1085 CA GLU A 72 2.518 2.000 -5.542 1.00 0.00 C ATOM 1086 C GLU A 72 1.604 0.851 -5.131 1.00 0.00 C ATOM 1087 O GLU A 72 1.672 -0.241 -5.696 1.00 0.00 O ATOM 1088 CB GLU A 72 3.819 1.947 -4.738 1.00 0.00 C ATOM 1089 CG GLU A 72 4.993 2.613 -5.436 1.00 0.00 C ATOM 1090 CD GLU A 72 5.410 1.884 -6.699 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.095 0.682 -6.821 1.00 0.00 O ATOM 1092 OE2 GLU A 72 6.052 2.516 -7.563 1.00 0.00 O ATOM 0 H GLU A 72 2.108 3.763 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 72 2.750 1.894 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.660 2.429 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.070 0.906 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.728 3.641 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.840 2.659 -4.751 1.00 0.00 H new ATOM 1099 N LEU A 73 0.751 1.103 -4.144 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.176 0.089 -3.656 1.00 0.00 C ATOM 1101 C LEU A 73 -1.224 -0.242 -4.714 1.00 0.00 C ATOM 1102 O LEU A 73 -1.626 -1.396 -4.865 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.861 0.567 -2.375 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.579 -0.525 -1.580 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.582 -1.332 -0.762 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.641 0.086 -0.678 1.00 0.00 C ATOM 0 H LEU A 73 0.682 2.001 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 73 0.394 -0.814 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.113 1.031 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.583 1.341 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.070 -1.198 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.111 -2.104 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.143 -1.799 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.063 -0.672 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.142 -0.704 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.171 0.781 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.371 0.620 -1.286 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.662 0.778 -5.445 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.663 0.595 -6.489 1.00 0.00 C ATOM 1120 C VAL A 74 -2.079 -0.152 -7.684 1.00 0.00 C ATOM 1121 O VAL A 74 -2.729 -1.021 -8.264 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.230 1.945 -6.968 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.375 1.729 -7.947 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.685 2.784 -5.783 1.00 0.00 C ATOM 0 H VAL A 74 -1.339 1.739 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.470 0.006 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.438 2.486 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.762 2.694 -8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.014 1.171 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.170 1.166 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.082 3.734 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.461 2.249 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.838 2.971 -5.123 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.848 0.194 -8.047 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.175 -0.444 -9.173 1.00 0.00 C ATOM 1136 C GLU A 75 0.173 -1.894 -8.847 1.00 0.00 C ATOM 1137 O GLU A 75 0.054 -2.777 -9.697 1.00 0.00 O ATOM 1138 CB GLU A 75 1.092 0.331 -9.542 1.00 0.00 C ATOM 1139 CG GLU A 75 0.987 1.073 -10.864 1.00 0.00 C ATOM 1140 CD GLU A 75 2.343 1.373 -11.474 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.119 0.420 -11.695 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.629 2.561 -11.730 1.00 0.00 O ATOM 0 H GLU A 75 -0.296 0.912 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.855 -0.437 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.314 1.046 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.931 -0.363 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.401 0.478 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.447 2.007 -10.710 1.00 0.00 H new ATOM 1149 N ALA A 76 0.602 -2.130 -7.613 1.00 0.00 N ATOM 1150 CA ALA A 76 0.967 -3.472 -7.173 1.00 0.00 C ATOM 1151 C ALA A 76 -0.247 -4.395 -7.165 1.00 0.00 C ATOM 1152 O ALA A 76 -0.136 -5.584 -7.462 1.00 0.00 O ATOM 1153 CB ALA A 76 1.604 -3.421 -5.794 1.00 0.00 C ATOM 0 H ALA A 76 0.706 -1.409 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 76 1.692 -3.875 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.871 -4.430 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.501 -2.803 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.897 -2.994 -5.082 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.404 -3.838 -6.822 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.640 -4.612 -6.775 1.00 0.00 C ATOM 1161 C LEU A 77 -3.098 -4.990 -8.179 1.00 0.00 C ATOM 1162 O LEU A 77 -3.677 -6.057 -8.388 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.736 -3.817 -6.064 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.603 -3.747 -4.541 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.685 -2.858 -3.951 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.667 -5.142 -3.938 1.00 0.00 C ATOM 0 H LEU A 77 -1.512 -2.855 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.446 -5.528 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.741 -2.801 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.701 -4.260 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.634 -3.312 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.574 -2.820 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.593 -1.852 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.665 -3.263 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.571 -5.075 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.622 -5.604 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.854 -5.749 -4.337 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.838 -4.108 -9.138 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.223 -4.349 -10.524 1.00 0.00 C ATOM 1180 C ARG A 78 -2.300 -5.373 -11.175 1.00 0.00 C ATOM 1181 O ARG A 78 -2.746 -6.227 -11.941 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.196 -3.041 -11.318 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.304 -2.934 -12.352 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.515 -1.495 -12.800 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.861 -1.019 -12.495 1.00 0.00 N ATOM 1186 CZ ARG A 78 -6.965 -1.508 -13.054 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.888 -2.487 -13.947 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -8.151 -1.017 -12.721 1.00 0.00 N ATOM 0 H ARG A 78 -2.362 -3.220 -8.981 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.238 -4.747 -10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.275 -2.203 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.232 -2.950 -11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.058 -3.552 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.232 -3.325 -11.934 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.784 -0.852 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.338 -1.420 -13.873 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.961 -0.267 -11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.979 -2.869 -14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.738 -2.858 -14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.217 -0.264 -12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.997 -1.392 -13.150 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.011 -5.281 -10.866 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.024 -6.199 -11.422 1.00 0.00 C ATOM 1204 C GLN A 79 -0.339 -7.639 -11.028 1.00 0.00 C ATOM 1205 O GLN A 79 -0.103 -8.570 -11.797 1.00 0.00 O ATOM 1206 CB GLN A 79 1.380 -5.823 -10.945 1.00 0.00 C ATOM 1207 CG GLN A 79 2.012 -4.696 -11.744 1.00 0.00 C ATOM 1208 CD GLN A 79 3.527 -4.750 -11.730 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.133 -5.642 -12.321 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.147 -3.790 -11.052 1.00 0.00 N ATOM 0 H GLN A 79 -0.625 -4.580 -10.233 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.063 -6.121 -12.508 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.332 -5.531 -9.896 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.022 -6.702 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.660 -4.744 -12.774 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.682 -3.739 -11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.604 -3.069 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.166 -3.774 -11.007 1.00 0.00 H new ATOM 1219 N MET A 80 -0.873 -7.813 -9.823 1.00 0.00 N ATOM 1220 CA MET A 80 -1.221 -9.140 -9.327 1.00 0.00 C ATOM 1221 C MET A 80 -2.555 -9.602 -9.900 1.00 0.00 C ATOM 1222 O MET A 80 -2.749 -10.787 -10.172 1.00 0.00 O ATOM 1223 CB MET A 80 -1.283 -9.134 -7.797 1.00 0.00 C ATOM 1224 CG MET A 80 0.083 -9.165 -7.132 1.00 0.00 C ATOM 1225 SD MET A 80 -0.020 -9.369 -5.344 1.00 0.00 S ATOM 1226 CE MET A 80 -1.080 -10.809 -5.229 1.00 0.00 C ATOM 0 H MET A 80 -1.074 -7.053 -9.173 1.00 0.00 H new ATOM 0 HA MET A 80 -0.448 -9.837 -9.650 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.818 -8.244 -7.467 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.860 -9.996 -7.462 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.670 -9.981 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.614 -8.240 -7.358 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.181 -11.104 -4.185 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.063 -10.571 -5.635 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.642 -11.630 -5.797 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.474 -8.659 -10.084 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.780 -8.990 -10.625 1.00 0.00 C ATOM 1238 C GLY A 81 -5.895 -8.780 -9.620 1.00 0.00 C ATOM 1239 O GLY A 81 -6.924 -9.454 -9.676 1.00 0.00 O ATOM 0 H GLY A 81 -3.338 -7.671 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.970 -8.378 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.781 -10.030 -10.952 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.692 -7.843 -8.700 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.690 -7.547 -7.679 1.00 0.00 C ATOM 1245 C TYR A 82 -7.641 -6.452 -8.149 1.00 0.00 C ATOM 1246 O TYR A 82 -7.209 -5.382 -8.580 1.00 0.00 O ATOM 1247 CB TYR A 82 -6.007 -7.122 -6.378 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.770 -8.265 -5.417 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.835 -8.963 -4.862 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.481 -8.646 -5.064 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.623 -10.008 -3.982 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.260 -9.689 -4.186 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.335 -10.367 -3.649 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.119 -11.407 -2.773 1.00 0.00 O ATOM 0 H TYR A 82 -4.846 -7.276 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.269 -8.453 -7.499 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.052 -6.654 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.619 -6.366 -5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.846 -8.685 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.638 -8.117 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.462 -10.540 -3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.252 -9.972 -3.921 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.914 -11.535 -2.214 1.00 0.00 H new ATOM 1264 N THR A 83 -8.939 -6.726 -8.066 1.00 0.00 N ATOM 1265 CA THR A 83 -9.952 -5.764 -8.484 1.00 0.00 C ATOM 1266 C THR A 83 -10.715 -5.218 -7.281 1.00 0.00 C ATOM 1267 O THR A 83 -11.149 -4.067 -7.279 1.00 0.00 O ATOM 1268 CB THR A 83 -10.927 -6.413 -9.468 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.253 -7.333 -10.308 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.635 -5.413 -10.356 1.00 0.00 C ATOM 0 H THR A 83 -9.314 -7.606 -7.713 1.00 0.00 H new ATOM 0 HA THR A 83 -9.446 -4.934 -8.978 1.00 0.00 H new ATOM 0 HB THR A 83 -11.671 -6.915 -8.849 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.893 -7.739 -10.929 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.311 -5.939 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.205 -4.718 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.899 -4.860 -10.940 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.875 -6.053 -6.259 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.585 -5.654 -5.051 1.00 0.00 C ATOM 1280 C GLU A 84 -10.667 -4.885 -4.106 1.00 0.00 C ATOM 1281 O GLU A 84 -11.113 -4.007 -3.368 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.155 -6.882 -4.339 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.082 -6.541 -3.183 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.169 -7.579 -2.981 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.912 -8.769 -3.263 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -15.275 -7.202 -2.542 1.00 0.00 O ATOM 0 H GLU A 84 -10.522 -7.010 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.405 -4.999 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.698 -7.491 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.331 -7.490 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.497 -6.450 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.542 -5.570 -3.365 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.382 -5.221 -4.135 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.400 -4.563 -3.281 1.00 0.00 C ATOM 1295 C ALA A 85 -8.158 -3.126 -3.730 1.00 0.00 C ATOM 1296 O ALA A 85 -7.853 -2.254 -2.915 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.095 -5.344 -3.277 1.00 0.00 C ATOM 0 H ALA A 85 -8.996 -5.945 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.797 -4.537 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.372 -4.841 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.275 -6.351 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.702 -5.401 -4.292 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.293 -2.885 -5.029 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.088 -1.553 -5.585 1.00 0.00 C ATOM 1305 C ILE A 86 -9.305 -0.664 -5.347 1.00 0.00 C ATOM 1306 O ILE A 86 -9.169 0.523 -5.051 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.799 -1.614 -7.097 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.716 -2.652 -7.391 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.382 -0.244 -7.611 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.385 -2.780 -8.863 1.00 0.00 C ATOM 0 H ILE A 86 -8.544 -3.595 -5.717 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.225 -1.127 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.710 -1.913 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.811 -2.386 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.042 -3.622 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.181 -0.302 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.184 0.472 -7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.482 0.082 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.609 -3.534 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.278 -3.077 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.029 -1.822 -9.240 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.492 -1.245 -5.480 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.732 -0.505 -5.280 1.00 0.00 C ATOM 1324 C GLU A 87 -11.806 0.061 -3.865 1.00 0.00 C ATOM 1325 O GLU A 87 -12.393 1.120 -3.640 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.938 -1.408 -5.545 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.062 -1.847 -6.994 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.319 -1.319 -7.661 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.376 -0.103 -7.939 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.244 -2.121 -7.904 1.00 0.00 O ATOM 0 H GLU A 87 -10.622 -2.226 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.748 0.326 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.866 -2.292 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.847 -0.881 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.189 -1.503 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.061 -2.936 -7.041 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.207 -0.650 -2.916 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.206 -0.217 -1.524 1.00 0.00 C ATOM 1339 C VAL A 88 -10.383 1.055 -1.345 1.00 0.00 C ATOM 1340 O VAL A 88 -10.671 1.874 -0.473 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.647 -1.312 -0.594 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.801 -0.906 0.864 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.334 -2.644 -0.862 1.00 0.00 C ATOM 0 H VAL A 88 -10.716 -1.528 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.243 -0.017 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.584 -1.431 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.401 -1.692 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.256 0.021 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.857 -0.756 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.926 -3.404 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.405 -2.543 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.164 -2.939 -1.897 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.357 1.213 -2.175 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.493 2.386 -2.107 1.00 0.00 C ATOM 1355 C ILE A 89 -9.142 3.587 -2.788 1.00 0.00 C ATOM 1356 O ILE A 89 -9.314 4.641 -2.177 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.125 2.117 -2.761 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.533 0.806 -2.240 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.175 3.275 -2.496 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.410 0.268 -3.097 1.00 0.00 C ATOM 0 H ILE A 89 -9.104 0.544 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.344 2.607 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.266 2.026 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.163 0.961 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.324 0.058 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.212 3.070 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.593 4.191 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.038 3.394 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.039 -0.663 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.779 0.081 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.601 0.998 -3.137 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.498 3.421 -4.058 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.126 4.491 -4.822 1.00 0.00 C ATOM 1374 C GLN A 90 -11.437 4.927 -4.174 1.00 0.00 C ATOM 1375 O GLN A 90 -11.826 6.091 -4.259 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.381 4.038 -6.261 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.173 4.193 -7.170 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.044 3.057 -8.165 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.731 2.041 -8.058 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.158 3.222 -9.141 1.00 0.00 N ATOM 0 H GLN A 90 -9.362 2.555 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.446 5.343 -4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.689 2.992 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.211 4.612 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.247 5.137 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.270 4.243 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.609 4.080 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.026 2.490 -9.839 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.113 3.983 -3.527 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.379 4.270 -2.864 1.00 0.00 C ATOM 1391 C ALA A 91 -13.207 5.335 -1.786 1.00 0.00 C ATOM 1392 O ALA A 91 -14.122 6.112 -1.515 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.960 2.998 -2.264 1.00 0.00 C ATOM 0 H ALA A 91 -11.805 3.014 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.072 4.657 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.905 3.227 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.130 2.267 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.261 2.588 -1.535 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.027 5.364 -1.174 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.735 6.333 -0.126 1.00 0.00 C ATOM 1401 C ALA A 92 -10.934 7.510 -0.674 1.00 0.00 C ATOM 1402 O ALA A 92 -11.382 8.655 -0.624 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.981 5.665 1.015 1.00 0.00 C ATOM 0 H ALA A 92 -11.259 4.728 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.682 6.717 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.769 6.401 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.589 4.862 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.044 5.253 0.640 1.00 0.00 H new ATOM 1409 N SER A 93 -9.746 7.220 -1.196 1.00 0.00 N ATOM 1410 CA SER A 93 -8.883 8.255 -1.752 1.00 0.00 C ATOM 1411 C SER A 93 -9.421 8.749 -3.091 1.00 0.00 C ATOM 1412 O SER A 93 -10.274 8.108 -3.704 1.00 0.00 O ATOM 1413 CB SER A 93 -7.460 7.722 -1.928 1.00 0.00 C ATOM 1414 OG SER A 93 -6.506 8.763 -1.803 1.00 0.00 O ATOM 0 H SER A 93 -9.360 6.277 -1.245 1.00 0.00 H new ATOM 0 HA SER A 93 -8.866 9.093 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.262 6.952 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.363 7.251 -2.906 1.00 0.00 H new ATOM 0 HG SER A 93 -5.776 8.470 -1.218 1.00 0.00 H new ATOM 1420 N SER A 94 -8.917 9.895 -3.538 1.00 0.00 N ATOM 1421 CA SER A 94 -9.347 10.477 -4.804 1.00 0.00 C ATOM 1422 C SER A 94 -10.843 10.774 -4.787 1.00 0.00 C ATOM 1423 O SER A 94 -11.664 9.897 -5.055 1.00 0.00 O ATOM 1424 CB SER A 94 -9.017 9.532 -5.961 1.00 0.00 C ATOM 1425 OG SER A 94 -7.759 8.907 -5.767 1.00 0.00 O ATOM 0 H SER A 94 -8.211 10.439 -3.042 1.00 0.00 H new ATOM 0 HA SER A 94 -8.810 11.415 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.794 8.773 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.009 10.088 -6.898 1.00 0.00 H new ATOM 0 HG SER A 94 -7.572 8.307 -6.519 1.00 0.00 H new ATOM 1431 N SER A 95 -11.189 12.017 -4.469 1.00 0.00 N ATOM 1432 CA SER A 95 -12.587 12.431 -4.418 1.00 0.00 C ATOM 1433 C SER A 95 -12.803 13.716 -5.213 1.00 0.00 C ATOM 1434 O SER A 95 -11.846 14.376 -5.616 1.00 0.00 O ATOM 1435 CB SER A 95 -13.026 12.635 -2.966 1.00 0.00 C ATOM 1436 OG SER A 95 -14.352 12.177 -2.766 1.00 0.00 O ATOM 0 H SER A 95 -10.522 12.755 -4.243 1.00 0.00 H new ATOM 0 HA SER A 95 -13.191 11.642 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.349 12.101 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.960 13.692 -2.708 1.00 0.00 H new ATOM 0 HG SER A 95 -14.609 12.317 -1.831 1.00 0.00 H new ATOM 1442 N GLY A 96 -14.067 14.063 -5.434 1.00 0.00 N ATOM 1443 CA GLY A 96 -14.385 15.267 -6.179 1.00 0.00 C ATOM 1444 C GLY A 96 -15.733 15.183 -6.870 1.00 0.00 C ATOM 1445 O GLY A 96 -16.666 15.895 -6.499 1.00 0.00 O ATOM 0 H GLY A 96 -14.876 13.532 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.380 16.121 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.609 15.445 -6.923 1.00 0.00 H new ATOM 1449 N PRO A 97 -15.868 14.315 -7.886 1.00 0.00 N ATOM 1450 CA PRO A 97 -17.125 14.150 -8.624 1.00 0.00 C ATOM 1451 C PRO A 97 -18.310 13.896 -7.699 1.00 0.00 C ATOM 1452 O PRO A 97 -18.443 12.813 -7.129 1.00 0.00 O ATOM 1453 CB PRO A 97 -16.863 12.929 -9.508 1.00 0.00 C ATOM 1454 CG PRO A 97 -15.384 12.894 -9.679 1.00 0.00 C ATOM 1455 CD PRO A 97 -14.807 13.426 -8.396 1.00 0.00 C ATOM 0 HA PRO A 97 -17.389 15.047 -9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.229 12.015 -9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.370 13.020 -10.468 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -15.037 11.879 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.075 13.503 -10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -14.583 12.624 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.877 13.968 -8.568 1.00 0.00 H new ATOM 1463 N SER A 98 -19.168 14.900 -7.555 1.00 0.00 N ATOM 1464 CA SER A 98 -20.343 14.784 -6.699 1.00 0.00 C ATOM 1465 C SER A 98 -21.599 14.540 -7.529 1.00 0.00 C ATOM 1466 O SER A 98 -22.681 15.019 -7.190 1.00 0.00 O ATOM 1467 CB SER A 98 -20.512 16.049 -5.856 1.00 0.00 C ATOM 1468 OG SER A 98 -21.241 15.780 -4.672 1.00 0.00 O ATOM 0 H SER A 98 -19.072 15.803 -8.020 1.00 0.00 H new ATOM 0 HA SER A 98 -20.196 13.931 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.532 16.452 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 98 -21.028 16.812 -6.439 1.00 0.00 H new ATOM 0 HG SER A 98 -22.120 15.414 -4.905 1.00 0.00 H new ATOM 1474 N SER A 99 -21.447 13.792 -8.616 1.00 0.00 N ATOM 1475 CA SER A 99 -22.571 13.485 -9.495 1.00 0.00 C ATOM 1476 C SER A 99 -22.237 12.314 -10.414 1.00 0.00 C ATOM 1477 O SER A 99 -21.807 12.508 -11.551 1.00 0.00 O ATOM 1478 CB SER A 99 -22.945 14.711 -10.327 1.00 0.00 C ATOM 1479 OG SER A 99 -24.349 14.806 -10.496 1.00 0.00 O ATOM 0 H SER A 99 -20.558 13.387 -8.910 1.00 0.00 H new ATOM 0 HA SER A 99 -23.421 13.205 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 99 -22.573 15.612 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 99 -22.462 14.653 -11.302 1.00 0.00 H new ATOM 0 HG SER A 99 -24.561 15.600 -11.030 1.00 0.00 H new ATOM 1485 N GLY A 100 -22.440 11.099 -9.915 1.00 0.00 N ATOM 1486 CA GLY A 100 -22.157 9.916 -10.706 1.00 0.00 C ATOM 1487 C GLY A 100 -23.314 9.528 -11.603 1.00 0.00 C ATOM 1488 O GLY A 100 -24.129 8.677 -11.188 1.00 0.00 O ATOM 1489 OXT GLY A 100 -23.408 10.074 -12.723 1.00 0.00 O ATOM 0 H GLY A 100 -22.795 10.913 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -21.272 10.094 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -21.923 9.085 -10.040 1.00 0.00 H new TER 1493 GLY A 100