USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 645 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 158:sc= -0.617 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -0.975 K(o=-1.6,f=-2.1) USER MOD Set 2.1: A 56 TYR OH : rot 165:sc= 0.106 USER MOD Set 2.2: A 60 SER OG : rot 103:sc= 1.41 USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 157:sc= 0.477 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 5:sc= 0.804 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.115 USER MOD Single : A 10 TYR OH : rot -101:sc= 0.152 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.12 (180deg=-0.606) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.494 K(o=-0.49,f=-4.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -123:sc= -0.593 (180deg=-1.88) USER MOD Single : A 33 MET CE :methyl 134:sc= -0.144 (180deg=-0.872) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-8.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.15! C(o=-4.1!,f=-6.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.62) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -25:sc= 0.123 USER MOD Single : A 77 THR OG1 : rot -64:sc= 0.647 USER MOD Single : A 78 SER OG : rot 93:sc= 0.473 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0273 K(o=-0.027,f=-0.97) USER MOD Single : A 83 SER OG : rot 9:sc= 0.984 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -142:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.866 14.444 -10.177 1.00 0.00 N ATOM 2 CA GLY A 1 17.773 12.997 -10.103 1.00 0.00 C ATOM 3 C GLY A 1 16.366 12.493 -10.357 1.00 0.00 C ATOM 4 O GLY A 1 15.841 12.627 -11.463 1.00 0.00 O ATOM 0 H1 GLY A 1 18.847 14.739 -9.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.578 14.762 -11.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.240 14.869 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.451 12.555 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.103 12.665 -9.119 1.00 0.00 H new ATOM 8 N SER A 2 15.754 11.910 -9.331 1.00 0.00 N ATOM 9 CA SER A 2 14.401 11.379 -9.450 1.00 0.00 C ATOM 10 C SER A 2 13.433 12.155 -8.562 1.00 0.00 C ATOM 11 O SER A 2 13.622 12.244 -7.349 1.00 0.00 O ATOM 12 CB SER A 2 14.378 9.896 -9.075 1.00 0.00 C ATOM 13 OG SER A 2 15.332 9.165 -9.827 1.00 0.00 O ATOM 0 H SER A 2 16.173 11.793 -8.409 1.00 0.00 H new ATOM 0 HA SER A 2 14.083 11.489 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.585 9.783 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.382 9.489 -9.250 1.00 0.00 H new ATOM 0 HG SER A 2 15.299 8.221 -9.568 1.00 0.00 H new ATOM 19 N SER A 3 12.395 12.714 -9.176 1.00 0.00 N ATOM 20 CA SER A 3 11.398 13.486 -8.443 1.00 0.00 C ATOM 21 C SER A 3 10.638 12.599 -7.462 1.00 0.00 C ATOM 22 O SER A 3 9.929 11.676 -7.862 1.00 0.00 O ATOM 23 CB SER A 3 10.419 14.147 -9.414 1.00 0.00 C ATOM 24 OG SER A 3 9.507 13.200 -9.942 1.00 0.00 O ATOM 0 H SER A 3 12.222 12.647 -10.179 1.00 0.00 H new ATOM 0 HA SER A 3 11.917 14.261 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.871 14.937 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.971 14.618 -10.228 1.00 0.00 H new ATOM 0 HG SER A 3 9.647 12.333 -9.507 1.00 0.00 H new ATOM 30 N GLY A 4 10.792 12.885 -6.172 1.00 0.00 N ATOM 31 CA GLY A 4 10.115 12.105 -5.153 1.00 0.00 C ATOM 32 C GLY A 4 8.700 12.587 -4.899 1.00 0.00 C ATOM 33 O GLY A 4 8.329 12.869 -3.759 1.00 0.00 O ATOM 0 H GLY A 4 11.374 13.643 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.090 11.059 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.684 12.153 -4.225 1.00 0.00 H new ATOM 37 N SER A 5 7.909 12.682 -5.962 1.00 0.00 N ATOM 38 CA SER A 5 6.529 13.139 -5.849 1.00 0.00 C ATOM 39 C SER A 5 5.588 11.966 -5.593 1.00 0.00 C ATOM 40 O SER A 5 5.144 11.296 -6.525 1.00 0.00 O ATOM 41 CB SER A 5 6.107 13.876 -7.122 1.00 0.00 C ATOM 42 OG SER A 5 4.875 14.550 -6.936 1.00 0.00 O ATOM 0 H SER A 5 8.200 12.449 -6.911 1.00 0.00 H new ATOM 0 HA SER A 5 6.468 13.824 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.878 14.593 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.016 13.166 -7.944 1.00 0.00 H new ATOM 0 HG SER A 5 4.628 15.014 -7.763 1.00 0.00 H new ATOM 48 N SER A 6 5.287 11.724 -4.321 1.00 0.00 N ATOM 49 CA SER A 6 4.402 10.629 -3.939 1.00 0.00 C ATOM 50 C SER A 6 3.290 10.447 -4.968 1.00 0.00 C ATOM 51 O SER A 6 3.081 9.350 -5.485 1.00 0.00 O ATOM 52 CB SER A 6 3.797 10.892 -2.559 1.00 0.00 C ATOM 53 OG SER A 6 3.095 12.122 -2.535 1.00 0.00 O ATOM 0 H SER A 6 5.643 12.271 -3.537 1.00 0.00 H new ATOM 0 HA SER A 6 4.992 9.713 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.121 10.079 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.588 10.906 -1.809 1.00 0.00 H new ATOM 0 HG SER A 6 2.717 12.265 -1.642 1.00 0.00 H new ATOM 59 N GLY A 7 2.577 11.531 -5.259 1.00 0.00 N ATOM 60 CA GLY A 7 1.495 11.471 -6.223 1.00 0.00 C ATOM 61 C GLY A 7 0.266 10.774 -5.673 1.00 0.00 C ATOM 62 O GLY A 7 -0.313 11.213 -4.680 1.00 0.00 O ATOM 0 H GLY A 7 2.730 12.450 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.229 12.483 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.837 10.947 -7.116 1.00 0.00 H new ATOM 66 N SER A 8 -0.134 9.684 -6.321 1.00 0.00 N ATOM 67 CA SER A 8 -1.305 8.928 -5.894 1.00 0.00 C ATOM 68 C SER A 8 -0.893 7.627 -5.212 1.00 0.00 C ATOM 69 O SER A 8 0.176 7.081 -5.486 1.00 0.00 O ATOM 70 CB SER A 8 -2.208 8.625 -7.092 1.00 0.00 C ATOM 71 OG SER A 8 -2.826 9.805 -7.576 1.00 0.00 O ATOM 0 H SER A 8 0.336 9.305 -7.143 1.00 0.00 H new ATOM 0 HA SER A 8 -1.857 9.535 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.621 8.166 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.972 7.903 -6.802 1.00 0.00 H new ATOM 0 HG SER A 8 -3.396 9.585 -8.342 1.00 0.00 H new ATOM 77 N TYR A 9 -1.748 7.136 -4.323 1.00 0.00 N ATOM 78 CA TYR A 9 -1.473 5.900 -3.599 1.00 0.00 C ATOM 79 C TYR A 9 -0.844 4.858 -4.519 1.00 0.00 C ATOM 80 O TYR A 9 0.284 4.418 -4.297 1.00 0.00 O ATOM 81 CB TYR A 9 -2.761 5.345 -2.987 1.00 0.00 C ATOM 82 CG TYR A 9 -3.504 6.345 -2.131 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.819 7.311 -1.403 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.891 6.324 -2.048 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.494 8.226 -0.618 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.574 7.236 -1.268 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.871 8.185 -0.554 1.00 0.00 C ATOM 88 OH TYR A 9 -5.548 9.094 0.226 1.00 0.00 O ATOM 0 H TYR A 9 -2.638 7.575 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.767 6.126 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.418 5.006 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.519 4.471 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.741 7.347 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.444 5.581 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.946 8.969 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.652 7.207 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.512 8.929 0.159 1.00 0.00 H new ATOM 98 N TYR A 10 -1.581 4.470 -5.554 1.00 0.00 N ATOM 99 CA TYR A 10 -1.098 3.479 -6.507 1.00 0.00 C ATOM 100 C TYR A 10 0.407 3.616 -6.720 1.00 0.00 C ATOM 101 O TYR A 10 1.110 2.624 -6.915 1.00 0.00 O ATOM 102 CB TYR A 10 -1.828 3.627 -7.843 1.00 0.00 C ATOM 103 CG TYR A 10 -3.322 3.423 -7.742 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.851 2.351 -7.034 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.206 4.303 -8.355 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.216 2.161 -6.940 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.573 4.121 -8.265 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.073 3.048 -7.557 1.00 0.00 C ATOM 109 OH TYR A 10 -7.433 2.862 -7.465 1.00 0.00 O ATOM 0 H TYR A 10 -2.515 4.827 -5.754 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.301 2.490 -6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.632 4.620 -8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.419 2.908 -8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.184 1.654 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.818 5.144 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.610 1.322 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.246 4.815 -8.746 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.765 2.461 -8.295 1.00 0.00 H new ATOM 119 N ASP A 11 0.893 4.851 -6.679 1.00 0.00 N ATOM 120 CA ASP A 11 2.315 5.120 -6.865 1.00 0.00 C ATOM 121 C ASP A 11 3.092 4.844 -5.581 1.00 0.00 C ATOM 122 O ASP A 11 4.081 4.109 -5.589 1.00 0.00 O ATOM 123 CB ASP A 11 2.529 6.569 -7.303 1.00 0.00 C ATOM 124 CG ASP A 11 3.782 6.742 -8.138 1.00 0.00 C ATOM 125 OD1 ASP A 11 4.213 5.757 -8.775 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.333 7.863 -8.155 1.00 0.00 O ATOM 0 H ASP A 11 0.324 5.682 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 11 2.687 4.455 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.665 6.904 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.593 7.206 -6.421 1.00 0.00 H new ATOM 131 N ILE A 12 2.640 5.437 -4.482 1.00 0.00 N ATOM 132 CA ILE A 12 3.293 5.255 -3.192 1.00 0.00 C ATOM 133 C ILE A 12 3.428 3.776 -2.848 1.00 0.00 C ATOM 134 O ILE A 12 4.468 3.333 -2.359 1.00 0.00 O ATOM 135 CB ILE A 12 2.520 5.964 -2.064 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.360 7.452 -2.383 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.232 5.775 -0.734 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.448 8.181 -1.421 1.00 0.00 C ATOM 0 H ILE A 12 1.824 6.048 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 12 4.285 5.698 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 12 1.528 5.519 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.342 7.926 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.968 7.558 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.673 6.282 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.298 4.711 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.236 6.196 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.381 9.231 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.455 7.733 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.850 8.106 -0.411 1.00 0.00 H new ATOM 150 N LEU A 13 2.371 3.014 -3.109 1.00 0.00 N ATOM 151 CA LEU A 13 2.371 1.583 -2.829 1.00 0.00 C ATOM 152 C LEU A 13 3.078 0.811 -3.940 1.00 0.00 C ATOM 153 O LEU A 13 3.805 -0.146 -3.679 1.00 0.00 O ATOM 154 CB LEU A 13 0.938 1.073 -2.671 1.00 0.00 C ATOM 155 CG LEU A 13 0.178 1.577 -1.443 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.299 1.232 -1.551 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.774 0.992 -0.171 1.00 0.00 C ATOM 0 H LEU A 13 1.503 3.364 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 13 2.912 1.421 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.374 1.351 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.963 -0.016 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 13 0.273 2.662 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.824 1.598 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.718 1.700 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.416 0.150 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.221 1.361 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.709 -0.096 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.819 1.291 -0.088 1.00 0.00 H new ATOM 169 N GLY A 14 2.859 1.236 -5.181 1.00 0.00 N ATOM 170 CA GLY A 14 3.483 0.576 -6.312 1.00 0.00 C ATOM 171 C GLY A 14 2.563 -0.429 -6.976 1.00 0.00 C ATOM 172 O GLY A 14 3.021 -1.419 -7.548 1.00 0.00 O ATOM 0 H GLY A 14 2.260 2.026 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.787 1.325 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.389 0.070 -5.979 1.00 0.00 H new ATOM 176 N VAL A 15 1.260 -0.177 -6.900 1.00 0.00 N ATOM 177 CA VAL A 15 0.273 -1.068 -7.498 1.00 0.00 C ATOM 178 C VAL A 15 -0.486 -0.372 -8.623 1.00 0.00 C ATOM 179 O VAL A 15 -0.630 0.850 -8.644 1.00 0.00 O ATOM 180 CB VAL A 15 -0.736 -1.573 -6.449 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.091 -2.610 -5.543 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.285 -0.410 -5.636 1.00 0.00 C ATOM 0 H VAL A 15 0.864 0.637 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 15 0.820 -1.919 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.568 -2.048 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.819 -2.955 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.249 -3.455 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.760 -2.164 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.996 -0.784 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.466 0.095 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.787 0.293 -6.300 1.00 0.00 H new ATOM 192 N PRO A 16 -0.983 -1.167 -9.582 1.00 0.00 N ATOM 193 CA PRO A 16 -1.736 -0.650 -10.728 1.00 0.00 C ATOM 194 C PRO A 16 -3.106 -0.112 -10.326 1.00 0.00 C ATOM 195 O PRO A 16 -3.615 -0.423 -9.250 1.00 0.00 O ATOM 196 CB PRO A 16 -1.887 -1.873 -11.635 1.00 0.00 C ATOM 197 CG PRO A 16 -1.796 -3.041 -10.715 1.00 0.00 C ATOM 198 CD PRO A 16 -0.849 -2.633 -9.620 1.00 0.00 C ATOM 0 HA PRO A 16 -1.229 0.190 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.840 -1.859 -12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.103 -1.903 -12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.775 -3.295 -10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.429 -3.923 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.119 -3.086 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.174 -2.937 -9.840 1.00 0.00 H new ATOM 206 N LYS A 17 -3.698 0.696 -11.199 1.00 0.00 N ATOM 207 CA LYS A 17 -5.010 1.276 -10.937 1.00 0.00 C ATOM 208 C LYS A 17 -6.074 0.188 -10.831 1.00 0.00 C ATOM 209 O LYS A 17 -7.079 0.355 -10.140 1.00 0.00 O ATOM 210 CB LYS A 17 -5.383 2.264 -12.045 1.00 0.00 C ATOM 211 CG LYS A 17 -4.508 3.505 -12.073 1.00 0.00 C ATOM 212 CD LYS A 17 -3.145 3.213 -12.678 1.00 0.00 C ATOM 213 CE LYS A 17 -2.552 4.449 -13.337 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.368 4.905 -14.496 1.00 0.00 N ATOM 0 H LYS A 17 -3.290 0.964 -12.094 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.963 1.807 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.314 1.759 -13.009 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.423 2.565 -11.917 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.003 4.287 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.383 3.886 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.470 2.854 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.236 2.415 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.481 5.253 -12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.537 4.231 -13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.756 5.395 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.811 4.083 -14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.108 5.557 -14.165 1.00 0.00 H new ATOM 228 N SER A 18 -5.846 -0.926 -11.520 1.00 0.00 N ATOM 229 CA SER A 18 -6.787 -2.040 -11.504 1.00 0.00 C ATOM 230 C SER A 18 -6.287 -3.160 -10.597 1.00 0.00 C ATOM 231 O SER A 18 -6.754 -4.296 -10.680 1.00 0.00 O ATOM 232 CB SER A 18 -7.001 -2.573 -12.922 1.00 0.00 C ATOM 233 OG SER A 18 -7.884 -1.740 -13.653 1.00 0.00 O ATOM 0 H SER A 18 -5.018 -1.081 -12.096 1.00 0.00 H new ATOM 0 HA SER A 18 -7.737 -1.677 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.043 -2.635 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.405 -3.584 -12.876 1.00 0.00 H new ATOM 0 HG SER A 18 -8.003 -2.102 -14.556 1.00 0.00 H new ATOM 239 N ALA A 19 -5.334 -2.831 -9.731 1.00 0.00 N ATOM 240 CA ALA A 19 -4.772 -3.808 -8.807 1.00 0.00 C ATOM 241 C ALA A 19 -5.864 -4.463 -7.969 1.00 0.00 C ATOM 242 O ALA A 19 -6.727 -3.782 -7.415 1.00 0.00 O ATOM 243 CB ALA A 19 -3.738 -3.148 -7.907 1.00 0.00 C ATOM 0 H ALA A 19 -4.935 -1.896 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.284 -4.587 -9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.326 -3.889 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.936 -2.733 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.210 -2.348 -7.336 1.00 0.00 H new ATOM 249 N SER A 20 -5.822 -5.789 -7.882 1.00 0.00 N ATOM 250 CA SER A 20 -6.811 -6.537 -7.115 1.00 0.00 C ATOM 251 C SER A 20 -6.507 -6.467 -5.621 1.00 0.00 C ATOM 252 O SER A 20 -5.350 -6.356 -5.218 1.00 0.00 O ATOM 253 CB SER A 20 -6.846 -7.996 -7.572 1.00 0.00 C ATOM 254 OG SER A 20 -7.073 -8.088 -8.968 1.00 0.00 O ATOM 0 H SER A 20 -5.113 -6.367 -8.333 1.00 0.00 H new ATOM 0 HA SER A 20 -7.787 -6.086 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.903 -8.482 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.632 -8.529 -7.037 1.00 0.00 H new ATOM 0 HG SER A 20 -7.089 -9.031 -9.235 1.00 0.00 H new ATOM 260 N GLU A 21 -7.556 -6.532 -4.807 1.00 0.00 N ATOM 261 CA GLU A 21 -7.401 -6.476 -3.358 1.00 0.00 C ATOM 262 C GLU A 21 -6.128 -7.193 -2.918 1.00 0.00 C ATOM 263 O GLU A 21 -5.366 -6.681 -2.098 1.00 0.00 O ATOM 264 CB GLU A 21 -8.616 -7.100 -2.668 1.00 0.00 C ATOM 265 CG GLU A 21 -8.461 -7.230 -1.162 1.00 0.00 C ATOM 266 CD GLU A 21 -9.701 -7.793 -0.494 1.00 0.00 C ATOM 267 OE1 GLU A 21 -9.795 -9.032 -0.368 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.576 -6.995 -0.099 1.00 0.00 O ATOM 0 H GLU A 21 -8.521 -6.623 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.326 -5.428 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.496 -6.494 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.797 -8.087 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.610 -7.875 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.237 -6.251 -0.738 1.00 0.00 H new ATOM 275 N ARG A 22 -5.905 -8.382 -3.469 1.00 0.00 N ATOM 276 CA ARG A 22 -4.727 -9.171 -3.133 1.00 0.00 C ATOM 277 C ARG A 22 -3.448 -8.418 -3.490 1.00 0.00 C ATOM 278 O ARG A 22 -2.496 -8.389 -2.712 1.00 0.00 O ATOM 279 CB ARG A 22 -4.761 -10.515 -3.863 1.00 0.00 C ATOM 280 CG ARG A 22 -3.633 -11.453 -3.465 1.00 0.00 C ATOM 281 CD ARG A 22 -3.824 -11.988 -2.055 1.00 0.00 C ATOM 282 NE ARG A 22 -4.688 -13.166 -2.029 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.884 -13.910 -0.947 1.00 0.00 C ATOM 284 NH1 ARG A 22 -4.281 -13.600 0.193 1.00 0.00 N ATOM 285 NH2 ARG A 22 -5.684 -14.967 -1.002 1.00 0.00 N ATOM 0 H ARG A 22 -6.525 -8.820 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.735 -9.349 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.715 -11.003 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.712 -10.337 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.585 -12.285 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.681 -10.926 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.853 -12.241 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.255 -11.208 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.167 -13.431 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.665 -12.788 0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.433 -14.173 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.150 -15.209 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.833 -15.537 -0.170 1.00 0.00 H new ATOM 299 N GLN A 23 -3.436 -7.811 -4.673 1.00 0.00 N ATOM 300 CA GLN A 23 -2.275 -7.060 -5.134 1.00 0.00 C ATOM 301 C GLN A 23 -1.966 -5.902 -4.190 1.00 0.00 C ATOM 302 O GLN A 23 -0.806 -5.642 -3.870 1.00 0.00 O ATOM 303 CB GLN A 23 -2.512 -6.530 -6.549 1.00 0.00 C ATOM 304 CG GLN A 23 -2.291 -7.572 -7.633 1.00 0.00 C ATOM 305 CD GLN A 23 -2.072 -6.954 -9.000 1.00 0.00 C ATOM 306 OE1 GLN A 23 -2.275 -5.755 -9.192 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.656 -7.772 -9.960 1.00 0.00 N ATOM 0 H GLN A 23 -4.217 -7.825 -5.329 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.419 -7.735 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.532 -6.154 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.847 -5.685 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.428 -8.184 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.153 -8.238 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.500 -8.759 -9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.492 -7.413 -10.901 1.00 0.00 H new ATOM 316 N ILE A 24 -3.011 -5.210 -3.749 1.00 0.00 N ATOM 317 CA ILE A 24 -2.851 -4.081 -2.841 1.00 0.00 C ATOM 318 C ILE A 24 -2.352 -4.540 -1.475 1.00 0.00 C ATOM 319 O ILE A 24 -1.378 -4.004 -0.945 1.00 0.00 O ATOM 320 CB ILE A 24 -4.173 -3.312 -2.660 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.676 -2.794 -4.009 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.988 -2.163 -1.680 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.176 -2.608 -4.065 1.00 0.00 C ATOM 0 H ILE A 24 -3.977 -5.411 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.113 -3.417 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.920 -3.994 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.192 -1.842 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.375 -3.491 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.931 -1.629 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.671 -2.556 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.229 -1.479 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.460 -2.239 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.668 -3.563 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.482 -1.888 -3.306 1.00 0.00 H new ATOM 335 N LYS A 25 -3.024 -5.537 -0.910 1.00 0.00 N ATOM 336 CA LYS A 25 -2.648 -6.072 0.393 1.00 0.00 C ATOM 337 C LYS A 25 -1.242 -6.662 0.354 1.00 0.00 C ATOM 338 O LYS A 25 -0.493 -6.573 1.328 1.00 0.00 O ATOM 339 CB LYS A 25 -3.649 -7.142 0.836 1.00 0.00 C ATOM 340 CG LYS A 25 -4.828 -6.586 1.615 1.00 0.00 C ATOM 341 CD LYS A 25 -6.050 -7.480 1.489 1.00 0.00 C ATOM 342 CE LYS A 25 -5.923 -8.723 2.358 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.466 -8.500 3.726 1.00 0.00 N ATOM 0 H LYS A 25 -3.833 -5.991 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.659 -5.252 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.021 -7.667 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.132 -7.878 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.556 -6.485 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.068 -5.587 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.941 -6.923 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.181 -7.774 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.453 -9.551 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.875 -9.013 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.361 -9.369 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.944 -7.727 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.473 -8.248 3.663 1.00 0.00 H new ATOM 357 N LYS A 26 -0.888 -7.262 -0.777 1.00 0.00 N ATOM 358 CA LYS A 26 0.430 -7.863 -0.945 1.00 0.00 C ATOM 359 C LYS A 26 1.499 -6.791 -1.124 1.00 0.00 C ATOM 360 O LYS A 26 2.530 -6.810 -0.452 1.00 0.00 O ATOM 361 CB LYS A 26 0.433 -8.807 -2.149 1.00 0.00 C ATOM 362 CG LYS A 26 0.010 -10.226 -1.811 1.00 0.00 C ATOM 363 CD LYS A 26 1.113 -10.979 -1.086 1.00 0.00 C ATOM 364 CE LYS A 26 0.550 -12.097 -0.222 1.00 0.00 C ATOM 365 NZ LYS A 26 0.258 -13.321 -1.020 1.00 0.00 N ATOM 0 H LYS A 26 -1.496 -7.345 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 26 0.659 -8.432 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.235 -8.410 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.434 -8.828 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.885 -10.201 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.253 -10.756 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.809 -11.396 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.679 -10.286 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.261 -12.339 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.363 -11.755 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.124 -14.060 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.440 -13.096 -1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.134 -13.663 -1.465 1.00 0.00 H new ATOM 379 N ALA A 27 1.246 -5.855 -2.033 1.00 0.00 N ATOM 380 CA ALA A 27 2.185 -4.772 -2.298 1.00 0.00 C ATOM 381 C ALA A 27 2.437 -3.945 -1.042 1.00 0.00 C ATOM 382 O ALA A 27 3.581 -3.631 -0.712 1.00 0.00 O ATOM 383 CB ALA A 27 1.667 -3.886 -3.421 1.00 0.00 C ATOM 0 H ALA A 27 0.398 -5.825 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 27 3.132 -5.213 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.379 -3.082 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.545 -4.480 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.705 -3.460 -3.134 1.00 0.00 H new ATOM 389 N PHE A 28 1.362 -3.595 -0.344 1.00 0.00 N ATOM 390 CA PHE A 28 1.467 -2.802 0.875 1.00 0.00 C ATOM 391 C PHE A 28 2.226 -3.566 1.957 1.00 0.00 C ATOM 392 O PHE A 28 3.318 -3.168 2.363 1.00 0.00 O ATOM 393 CB PHE A 28 0.074 -2.424 1.384 1.00 0.00 C ATOM 394 CG PHE A 28 0.097 -1.637 2.664 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.023 -0.624 2.853 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.808 -1.911 3.677 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.046 0.102 4.029 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.790 -1.188 4.855 1.00 0.00 C ATOM 399 CZ PHE A 28 0.139 -0.181 5.032 1.00 0.00 C ATOM 0 H PHE A 28 0.408 -3.848 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 28 2.020 -1.892 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.439 -1.842 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.508 -3.333 1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.735 -0.399 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.535 -2.698 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.772 0.890 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.502 -1.410 5.636 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.156 0.384 5.952 1.00 0.00 H new ATOM 409 N HIS A 29 1.639 -4.665 2.420 1.00 0.00 N ATOM 410 CA HIS A 29 2.259 -5.485 3.454 1.00 0.00 C ATOM 411 C HIS A 29 3.775 -5.513 3.289 1.00 0.00 C ATOM 412 O HIS A 29 4.516 -5.114 4.188 1.00 0.00 O ATOM 413 CB HIS A 29 1.703 -6.909 3.407 1.00 0.00 C ATOM 414 CG HIS A 29 0.495 -7.109 4.270 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.133 -8.336 4.784 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.434 -6.229 4.710 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.968 -8.202 5.502 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.333 -6.933 5.473 1.00 0.00 N ATOM 0 H HIS A 29 0.735 -5.008 2.095 1.00 0.00 H new ATOM 0 HA HIS A 29 2.025 -5.043 4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.448 -7.157 2.377 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.482 -7.605 3.719 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.463 -5.170 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.482 -8.995 6.024 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.150 -6.540 5.941 1.00 0.00 H new ATOM 426 N LYS A 30 4.232 -5.986 2.135 1.00 0.00 N ATOM 427 CA LYS A 30 5.659 -6.066 1.851 1.00 0.00 C ATOM 428 C LYS A 30 6.340 -4.724 2.101 1.00 0.00 C ATOM 429 O LYS A 30 7.390 -4.659 2.741 1.00 0.00 O ATOM 430 CB LYS A 30 5.889 -6.503 0.402 1.00 0.00 C ATOM 431 CG LYS A 30 5.639 -7.983 0.167 1.00 0.00 C ATOM 432 CD LYS A 30 5.866 -8.363 -1.287 1.00 0.00 C ATOM 433 CE LYS A 30 5.234 -7.352 -2.232 1.00 0.00 C ATOM 434 NZ LYS A 30 6.171 -6.244 -2.565 1.00 0.00 N ATOM 0 H LYS A 30 3.633 -6.320 1.380 1.00 0.00 H new ATOM 0 HA LYS A 30 6.095 -6.806 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.236 -5.924 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.915 -6.267 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.300 -8.570 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.617 -8.230 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.936 -8.428 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.446 -9.351 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.926 -7.855 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.333 -6.941 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.738 -5.334 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.057 -6.368 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.373 -6.255 -3.585 1.00 0.00 H new ATOM 448 N LEU A 31 5.735 -3.656 1.595 1.00 0.00 N ATOM 449 CA LEU A 31 6.281 -2.314 1.765 1.00 0.00 C ATOM 450 C LEU A 31 6.439 -1.974 3.243 1.00 0.00 C ATOM 451 O LEU A 31 7.534 -1.652 3.703 1.00 0.00 O ATOM 452 CB LEU A 31 5.377 -1.283 1.086 1.00 0.00 C ATOM 453 CG LEU A 31 5.459 -1.220 -0.439 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.362 -0.325 -0.996 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.828 -0.724 -0.880 1.00 0.00 C ATOM 0 H LEU A 31 4.865 -3.693 1.063 1.00 0.00 H new ATOM 0 HA LEU A 31 7.265 -2.288 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.345 -1.494 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.620 -0.298 1.484 1.00 0.00 H new ATOM 0 HG LEU A 31 5.315 -2.226 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.436 -0.292 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.388 -0.723 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.475 0.682 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.868 -0.686 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.001 0.273 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.597 -1.404 -0.513 1.00 0.00 H new ATOM 467 N ALA A 32 5.338 -2.049 3.983 1.00 0.00 N ATOM 468 CA ALA A 32 5.355 -1.754 5.411 1.00 0.00 C ATOM 469 C ALA A 32 6.612 -2.309 6.071 1.00 0.00 C ATOM 470 O ALA A 32 7.182 -1.683 6.965 1.00 0.00 O ATOM 471 CB ALA A 32 4.111 -2.318 6.081 1.00 0.00 C ATOM 0 H ALA A 32 4.423 -2.312 3.618 1.00 0.00 H new ATOM 0 HA ALA A 32 5.360 -0.671 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.137 -2.090 7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.223 -1.870 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.081 -3.399 5.941 1.00 0.00 H new ATOM 477 N MET A 33 7.038 -3.486 5.626 1.00 0.00 N ATOM 478 CA MET A 33 8.229 -4.125 6.175 1.00 0.00 C ATOM 479 C MET A 33 9.493 -3.410 5.709 1.00 0.00 C ATOM 480 O MET A 33 10.464 -3.291 6.457 1.00 0.00 O ATOM 481 CB MET A 33 8.280 -5.597 5.763 1.00 0.00 C ATOM 482 CG MET A 33 6.964 -6.331 5.965 1.00 0.00 C ATOM 483 SD MET A 33 6.288 -6.101 7.621 1.00 0.00 S ATOM 484 CE MET A 33 4.530 -6.145 7.278 1.00 0.00 C ATOM 0 H MET A 33 6.577 -4.017 4.887 1.00 0.00 H new ATOM 0 HA MET A 33 8.177 -4.061 7.262 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.565 -5.662 4.713 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.059 -6.100 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.240 -5.980 5.229 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.114 -7.395 5.783 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.034 -6.790 8.003 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.120 -5.137 7.348 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.365 -6.534 6.273 1.00 0.00 H new ATOM 494 N LYS A 34 9.475 -2.935 4.468 1.00 0.00 N ATOM 495 CA LYS A 34 10.619 -2.231 3.901 1.00 0.00 C ATOM 496 C LYS A 34 10.805 -0.871 4.566 1.00 0.00 C ATOM 497 O LYS A 34 11.925 -0.376 4.686 1.00 0.00 O ATOM 498 CB LYS A 34 10.437 -2.052 2.392 1.00 0.00 C ATOM 499 CG LYS A 34 11.498 -1.173 1.751 1.00 0.00 C ATOM 500 CD LYS A 34 11.639 -1.462 0.266 1.00 0.00 C ATOM 501 CE LYS A 34 10.306 -1.337 -0.455 1.00 0.00 C ATOM 502 NZ LYS A 34 10.264 -2.167 -1.691 1.00 0.00 N ATOM 0 H LYS A 34 8.680 -3.025 3.835 1.00 0.00 H new ATOM 0 HA LYS A 34 11.510 -2.831 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.451 -3.032 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.455 -1.619 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.239 -0.124 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.455 -1.336 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.358 -0.771 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.037 -2.467 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.501 -1.641 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.129 -0.293 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.339 -2.054 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.016 -1.860 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.408 -3.167 -1.443 1.00 0.00 H new ATOM 516 N TYR A 35 9.700 -0.272 4.997 1.00 0.00 N ATOM 517 CA TYR A 35 9.741 1.031 5.649 1.00 0.00 C ATOM 518 C TYR A 35 9.122 0.963 7.041 1.00 0.00 C ATOM 519 O TYR A 35 8.649 1.968 7.573 1.00 0.00 O ATOM 520 CB TYR A 35 9.006 2.072 4.802 1.00 0.00 C ATOM 521 CG TYR A 35 9.656 2.330 3.462 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.680 3.261 3.333 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.246 1.646 2.324 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.277 3.501 2.110 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.838 1.879 1.098 1.00 0.00 C ATOM 526 CZ TYR A 35 10.853 2.807 0.996 1.00 0.00 C ATOM 527 OH TYR A 35 11.444 3.043 -0.224 1.00 0.00 O ATOM 0 H TYR A 35 8.765 -0.669 4.906 1.00 0.00 H new ATOM 0 HA TYR A 35 10.786 1.326 5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.981 1.739 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.953 3.008 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.015 3.806 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.450 0.919 2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.071 4.228 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.508 1.337 0.224 1.00 0.00 H new ATOM 0 HH TYR A 35 11.030 2.471 -0.904 1.00 0.00 H new ATOM 537 N HIS A 36 9.130 -0.230 7.628 1.00 0.00 N ATOM 538 CA HIS A 36 8.571 -0.430 8.960 1.00 0.00 C ATOM 539 C HIS A 36 9.308 0.417 9.992 1.00 0.00 C ATOM 540 O HIS A 36 10.530 0.350 10.128 1.00 0.00 O ATOM 541 CB HIS A 36 8.644 -1.907 9.350 1.00 0.00 C ATOM 542 CG HIS A 36 7.560 -2.332 10.292 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.267 -1.654 11.456 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.696 -3.372 10.236 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.270 -2.260 12.077 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.905 -3.306 11.356 1.00 0.00 N ATOM 0 H HIS A 36 9.517 -1.072 7.202 1.00 0.00 H new ATOM 0 HA HIS A 36 7.527 -0.118 8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.589 -2.516 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.612 -2.105 9.810 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.639 -4.116 9.455 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.829 -1.953 13.014 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.157 -3.958 11.593 1.00 0.00 H new ATOM 554 N PRO A 37 8.551 1.236 10.737 1.00 0.00 N ATOM 555 CA PRO A 37 9.111 2.113 11.769 1.00 0.00 C ATOM 556 C PRO A 37 9.627 1.334 12.974 1.00 0.00 C ATOM 557 O PRO A 37 10.216 1.907 13.891 1.00 0.00 O ATOM 558 CB PRO A 37 7.925 2.994 12.169 1.00 0.00 C ATOM 559 CG PRO A 37 6.721 2.180 11.841 1.00 0.00 C ATOM 560 CD PRO A 37 7.088 1.369 10.629 1.00 0.00 C ATOM 0 HA PRO A 37 9.971 2.674 11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.957 3.244 13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.928 3.935 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.448 1.534 12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.861 2.819 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.595 0.397 10.632 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.797 1.871 9.706 1.00 0.00 H new ATOM 568 N ASP A 38 9.401 0.025 12.967 1.00 0.00 N ATOM 569 CA ASP A 38 9.844 -0.834 14.059 1.00 0.00 C ATOM 570 C ASP A 38 11.165 -1.515 13.714 1.00 0.00 C ATOM 571 O ASP A 38 12.089 -1.550 14.526 1.00 0.00 O ATOM 572 CB ASP A 38 8.780 -1.887 14.373 1.00 0.00 C ATOM 573 CG ASP A 38 7.588 -1.305 15.107 1.00 0.00 C ATOM 574 OD1 ASP A 38 7.270 -0.120 14.875 1.00 0.00 O ATOM 575 OD2 ASP A 38 6.974 -2.034 15.913 1.00 0.00 O ATOM 0 H ASP A 38 8.913 -0.465 12.217 1.00 0.00 H new ATOM 0 HA ASP A 38 9.997 -0.210 14.939 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.442 -2.346 13.444 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.224 -2.679 14.977 1.00 0.00 H new ATOM 580 N LYS A 39 11.247 -2.056 12.503 1.00 0.00 N ATOM 581 CA LYS A 39 12.454 -2.736 12.049 1.00 0.00 C ATOM 582 C LYS A 39 13.496 -1.732 11.568 1.00 0.00 C ATOM 583 O LYS A 39 14.689 -1.893 11.819 1.00 0.00 O ATOM 584 CB LYS A 39 12.118 -3.717 10.923 1.00 0.00 C ATOM 585 CG LYS A 39 11.206 -4.851 11.356 1.00 0.00 C ATOM 586 CD LYS A 39 11.947 -5.869 12.207 1.00 0.00 C ATOM 587 CE LYS A 39 10.988 -6.851 12.863 1.00 0.00 C ATOM 588 NZ LYS A 39 10.594 -7.946 11.934 1.00 0.00 N ATOM 0 H LYS A 39 10.491 -2.037 11.818 1.00 0.00 H new ATOM 0 HA LYS A 39 12.869 -3.288 12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.643 -3.172 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.044 -4.137 10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.365 -4.448 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.793 -5.343 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.659 -6.413 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.523 -5.353 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.456 -7.278 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.097 -6.320 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.940 -8.594 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.125 -7.541 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.442 -8.469 11.635 1.00 0.00 H new ATOM 602 N ASN A 40 13.036 -0.694 10.876 1.00 0.00 N ATOM 603 CA ASN A 40 13.930 0.338 10.361 1.00 0.00 C ATOM 604 C ASN A 40 14.351 1.296 11.471 1.00 0.00 C ATOM 605 O ASN A 40 13.535 1.700 12.300 1.00 0.00 O ATOM 606 CB ASN A 40 13.249 1.114 9.232 1.00 0.00 C ATOM 607 CG ASN A 40 14.245 1.687 8.242 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.439 1.775 8.527 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.756 2.079 7.072 1.00 0.00 N ATOM 0 H ASN A 40 12.051 -0.545 10.659 1.00 0.00 H new ATOM 0 HA ASN A 40 14.822 -0.151 9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.557 0.455 8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.657 1.924 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.378 2.472 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.759 1.987 6.879 1.00 0.00 H new ATOM 616 N LYS A 41 15.629 1.658 11.480 1.00 0.00 N ATOM 617 CA LYS A 41 16.160 2.570 12.485 1.00 0.00 C ATOM 618 C LYS A 41 16.586 3.890 11.851 1.00 0.00 C ATOM 619 O LYS A 41 17.706 4.357 12.059 1.00 0.00 O ATOM 620 CB LYS A 41 17.348 1.932 13.207 1.00 0.00 C ATOM 621 CG LYS A 41 17.020 0.598 13.857 1.00 0.00 C ATOM 622 CD LYS A 41 16.434 0.785 15.246 1.00 0.00 C ATOM 623 CE LYS A 41 17.513 1.110 16.268 1.00 0.00 C ATOM 624 NZ LYS A 41 17.056 0.847 17.660 1.00 0.00 N ATOM 0 H LYS A 41 16.317 1.333 10.801 1.00 0.00 H new ATOM 0 HA LYS A 41 15.370 2.773 13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.161 1.790 12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.710 2.620 13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.312 0.052 13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.923 -0.009 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.697 1.588 15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.909 -0.122 15.546 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.402 0.515 16.059 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.801 2.157 16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.820 1.081 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.223 1.434 17.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.806 -0.158 17.759 1.00 0.00 H new ATOM 638 N SER A 42 15.686 4.488 11.077 1.00 0.00 N ATOM 639 CA SER A 42 15.970 5.754 10.411 1.00 0.00 C ATOM 640 C SER A 42 14.763 6.685 10.475 1.00 0.00 C ATOM 641 O SER A 42 13.617 6.250 10.591 1.00 0.00 O ATOM 642 CB SER A 42 16.364 5.509 8.953 1.00 0.00 C ATOM 643 OG SER A 42 17.730 5.150 8.847 1.00 0.00 O ATOM 0 H SER A 42 14.754 4.116 10.896 1.00 0.00 H new ATOM 0 HA SER A 42 16.802 6.231 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.743 4.717 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.174 6.408 8.366 1.00 0.00 H new ATOM 0 HG SER A 42 17.956 4.997 7.906 1.00 0.00 H new ATOM 649 N PRO A 43 15.025 7.998 10.397 1.00 0.00 N ATOM 650 CA PRO A 43 13.974 9.019 10.443 1.00 0.00 C ATOM 651 C PRO A 43 13.109 9.017 9.188 1.00 0.00 C ATOM 652 O PRO A 43 11.881 9.048 9.269 1.00 0.00 O ATOM 653 CB PRO A 43 14.758 10.330 10.551 1.00 0.00 C ATOM 654 CG PRO A 43 16.084 10.030 9.942 1.00 0.00 C ATOM 655 CD PRO A 43 16.368 8.587 10.257 1.00 0.00 C ATOM 0 HA PRO A 43 13.280 8.853 11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.253 11.138 10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.861 10.645 11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.066 10.198 8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.858 10.679 10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.937 8.106 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.950 8.483 11.173 1.00 0.00 H new ATOM 663 N ASP A 44 13.757 8.981 8.028 1.00 0.00 N ATOM 664 CA ASP A 44 13.046 8.974 6.755 1.00 0.00 C ATOM 665 C ASP A 44 12.044 7.825 6.699 1.00 0.00 C ATOM 666 O ASP A 44 10.913 7.996 6.243 1.00 0.00 O ATOM 667 CB ASP A 44 14.036 8.861 5.595 1.00 0.00 C ATOM 668 CG ASP A 44 15.125 7.840 5.860 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.970 8.090 6.745 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.132 6.791 5.184 1.00 0.00 O ATOM 0 H ASP A 44 14.773 8.956 7.944 1.00 0.00 H new ATOM 0 HA ASP A 44 12.500 9.913 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.498 8.587 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.491 9.835 5.414 1.00 0.00 H new ATOM 675 N ALA A 45 12.466 6.654 7.165 1.00 0.00 N ATOM 676 CA ALA A 45 11.606 5.478 7.168 1.00 0.00 C ATOM 677 C ALA A 45 10.258 5.786 7.812 1.00 0.00 C ATOM 678 O ALA A 45 9.207 5.482 7.248 1.00 0.00 O ATOM 679 CB ALA A 45 12.288 4.327 7.892 1.00 0.00 C ATOM 0 H ALA A 45 13.399 6.495 7.545 1.00 0.00 H new ATOM 0 HA ALA A 45 11.427 5.186 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.634 3.455 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.223 4.083 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.497 4.617 8.922 1.00 0.00 H new ATOM 685 N GLU A 46 10.297 6.390 8.996 1.00 0.00 N ATOM 686 CA GLU A 46 9.077 6.736 9.716 1.00 0.00 C ATOM 687 C GLU A 46 8.139 7.556 8.834 1.00 0.00 C ATOM 688 O GLU A 46 6.928 7.339 8.828 1.00 0.00 O ATOM 689 CB GLU A 46 9.414 7.519 10.987 1.00 0.00 C ATOM 690 CG GLU A 46 8.200 7.843 11.842 1.00 0.00 C ATOM 691 CD GLU A 46 8.514 8.829 12.950 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.441 8.557 13.741 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.832 9.873 13.027 1.00 0.00 O ATOM 0 H GLU A 46 11.159 6.649 9.476 1.00 0.00 H new ATOM 0 HA GLU A 46 8.572 5.810 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.123 6.943 11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.911 8.448 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.413 8.252 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.812 6.923 12.279 1.00 0.00 H new ATOM 700 N ALA A 47 8.709 8.500 8.092 1.00 0.00 N ATOM 701 CA ALA A 47 7.925 9.352 7.206 1.00 0.00 C ATOM 702 C ALA A 47 7.377 8.558 6.025 1.00 0.00 C ATOM 703 O ALA A 47 6.237 8.756 5.606 1.00 0.00 O ATOM 704 CB ALA A 47 8.768 10.519 6.715 1.00 0.00 C ATOM 0 H ALA A 47 9.710 8.694 8.087 1.00 0.00 H new ATOM 0 HA ALA A 47 7.079 9.742 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.170 11.147 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.106 11.108 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.633 10.140 6.171 1.00 0.00 H new ATOM 710 N LYS A 48 8.197 7.660 5.490 1.00 0.00 N ATOM 711 CA LYS A 48 7.796 6.835 4.357 1.00 0.00 C ATOM 712 C LYS A 48 6.534 6.042 4.681 1.00 0.00 C ATOM 713 O LYS A 48 5.510 6.185 4.013 1.00 0.00 O ATOM 714 CB LYS A 48 8.926 5.879 3.970 1.00 0.00 C ATOM 715 CG LYS A 48 9.881 6.452 2.938 1.00 0.00 C ATOM 716 CD LYS A 48 9.194 6.665 1.599 1.00 0.00 C ATOM 717 CE LYS A 48 10.162 6.482 0.440 1.00 0.00 C ATOM 718 NZ LYS A 48 10.880 7.745 0.112 1.00 0.00 N ATOM 0 H LYS A 48 9.145 7.485 5.824 1.00 0.00 H new ATOM 0 HA LYS A 48 7.583 7.496 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.488 5.613 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.493 4.958 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.281 7.400 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.728 5.777 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.367 5.963 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.767 7.667 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.886 5.707 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.616 6.136 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.530 7.579 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.191 8.478 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.421 8.062 0.941 1.00 0.00 H new ATOM 732 N PHE A 49 6.613 5.207 5.712 1.00 0.00 N ATOM 733 CA PHE A 49 5.477 4.392 6.125 1.00 0.00 C ATOM 734 C PHE A 49 4.231 5.252 6.314 1.00 0.00 C ATOM 735 O PHE A 49 3.124 4.846 5.960 1.00 0.00 O ATOM 736 CB PHE A 49 5.800 3.650 7.424 1.00 0.00 C ATOM 737 CG PHE A 49 4.705 2.725 7.874 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.606 3.214 8.561 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.775 1.367 7.610 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.597 2.366 8.977 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.769 0.514 8.022 1.00 0.00 C ATOM 742 CZ PHE A 49 2.679 1.014 8.707 1.00 0.00 C ATOM 0 H PHE A 49 7.452 5.077 6.277 1.00 0.00 H new ATOM 0 HA PHE A 49 5.279 3.664 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.716 3.076 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.995 4.379 8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.537 4.271 8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.626 0.970 7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.746 2.760 9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.835 -0.543 7.809 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.892 0.349 9.031 1.00 0.00 H new ATOM 752 N ARG A 50 4.420 6.442 6.875 1.00 0.00 N ATOM 753 CA ARG A 50 3.312 7.359 7.113 1.00 0.00 C ATOM 754 C ARG A 50 2.524 7.605 5.829 1.00 0.00 C ATOM 755 O ARG A 50 1.354 7.983 5.871 1.00 0.00 O ATOM 756 CB ARG A 50 3.831 8.687 7.668 1.00 0.00 C ATOM 757 CG ARG A 50 2.804 9.445 8.492 1.00 0.00 C ATOM 758 CD ARG A 50 2.639 8.835 9.875 1.00 0.00 C ATOM 759 NE ARG A 50 1.711 9.601 10.704 1.00 0.00 N ATOM 760 CZ ARG A 50 1.675 9.523 12.029 1.00 0.00 C ATOM 761 NH1 ARG A 50 2.510 8.720 12.673 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.802 10.252 12.714 1.00 0.00 N ATOM 0 H ARG A 50 5.330 6.793 7.173 1.00 0.00 H new ATOM 0 HA ARG A 50 2.646 6.902 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.709 8.495 8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.155 9.316 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.109 10.487 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.845 9.440 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.279 7.811 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.610 8.786 10.368 1.00 0.00 H new ATOM 0 HE ARG A 50 1.055 10.230 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.183 8.159 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.479 8.663 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.159 10.872 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.775 10.192 13.732 1.00 0.00 H new ATOM 776 N GLU A 51 3.176 7.388 4.690 1.00 0.00 N ATOM 777 CA GLU A 51 2.536 7.588 3.395 1.00 0.00 C ATOM 778 C GLU A 51 2.044 6.263 2.821 1.00 0.00 C ATOM 779 O GLU A 51 1.052 6.220 2.093 1.00 0.00 O ATOM 780 CB GLU A 51 3.510 8.250 2.418 1.00 0.00 C ATOM 781 CG GLU A 51 3.480 9.768 2.463 1.00 0.00 C ATOM 782 CD GLU A 51 2.070 10.325 2.443 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.228 9.781 1.698 1.00 0.00 O ATOM 784 OE2 GLU A 51 1.807 11.305 3.172 1.00 0.00 O ATOM 0 H GLU A 51 4.145 7.074 4.638 1.00 0.00 H new ATOM 0 HA GLU A 51 1.676 8.242 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.521 7.908 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.276 7.920 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.989 10.111 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.035 10.164 1.613 1.00 0.00 H new ATOM 791 N ILE A 52 2.744 5.184 3.155 1.00 0.00 N ATOM 792 CA ILE A 52 2.379 3.858 2.673 1.00 0.00 C ATOM 793 C ILE A 52 1.066 3.390 3.293 1.00 0.00 C ATOM 794 O ILE A 52 0.199 2.854 2.605 1.00 0.00 O ATOM 795 CB ILE A 52 3.477 2.824 2.983 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.854 3.386 2.624 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.214 1.529 2.229 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.938 2.333 2.556 1.00 0.00 C ATOM 0 H ILE A 52 3.567 5.202 3.757 1.00 0.00 H new ATOM 0 HA ILE A 52 2.261 3.937 1.592 1.00 0.00 H new ATOM 0 HB ILE A 52 3.461 2.609 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.791 3.893 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.134 4.137 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.999 0.808 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.249 1.122 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.206 1.727 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.886 2.803 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.029 1.842 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.680 1.594 1.797 1.00 0.00 H new ATOM 810 N ALA A 53 0.927 3.599 4.598 1.00 0.00 N ATOM 811 CA ALA A 53 -0.281 3.203 5.311 1.00 0.00 C ATOM 812 C ALA A 53 -1.501 3.945 4.778 1.00 0.00 C ATOM 813 O ALA A 53 -2.394 3.342 4.183 1.00 0.00 O ATOM 814 CB ALA A 53 -0.119 3.453 6.803 1.00 0.00 C ATOM 0 H ALA A 53 1.636 4.040 5.183 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.437 2.137 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.029 3.153 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.723 2.872 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.065 4.513 6.976 1.00 0.00 H new ATOM 820 N GLU A 54 -1.533 5.256 4.994 1.00 0.00 N ATOM 821 CA GLU A 54 -2.646 6.079 4.536 1.00 0.00 C ATOM 822 C GLU A 54 -3.051 5.703 3.114 1.00 0.00 C ATOM 823 O GLU A 54 -4.231 5.726 2.767 1.00 0.00 O ATOM 824 CB GLU A 54 -2.271 7.562 4.596 1.00 0.00 C ATOM 825 CG GLU A 54 -3.355 8.485 4.066 1.00 0.00 C ATOM 826 CD GLU A 54 -4.648 8.378 4.852 1.00 0.00 C ATOM 827 OE1 GLU A 54 -5.467 7.493 4.529 1.00 0.00 O ATOM 828 OE2 GLU A 54 -4.839 9.180 5.790 1.00 0.00 O ATOM 0 H GLU A 54 -0.801 5.771 5.483 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.494 5.899 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.050 7.831 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.358 7.721 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.998 9.514 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.549 8.248 3.020 1.00 0.00 H new ATOM 835 N ALA A 55 -2.063 5.357 2.295 1.00 0.00 N ATOM 836 CA ALA A 55 -2.315 4.974 0.912 1.00 0.00 C ATOM 837 C ALA A 55 -3.088 3.662 0.837 1.00 0.00 C ATOM 838 O ALA A 55 -4.006 3.515 0.031 1.00 0.00 O ATOM 839 CB ALA A 55 -1.005 4.862 0.147 1.00 0.00 C ATOM 0 H ALA A 55 -1.080 5.334 2.566 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.925 5.751 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.209 4.575 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.492 5.824 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.374 4.107 0.615 1.00 0.00 H new ATOM 845 N TYR A 56 -2.709 2.709 1.682 1.00 0.00 N ATOM 846 CA TYR A 56 -3.364 1.407 1.710 1.00 0.00 C ATOM 847 C TYR A 56 -4.763 1.514 2.311 1.00 0.00 C ATOM 848 O TYR A 56 -5.737 1.038 1.729 1.00 0.00 O ATOM 849 CB TYR A 56 -2.528 0.409 2.512 1.00 0.00 C ATOM 850 CG TYR A 56 -3.276 -0.854 2.876 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.405 -1.895 1.965 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.854 -1.005 4.130 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.089 -3.050 2.292 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.538 -2.158 4.467 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.653 -3.177 3.544 1.00 0.00 C ATOM 856 OH TYR A 56 -5.334 -4.326 3.875 1.00 0.00 O ATOM 0 H TYR A 56 -1.951 2.814 2.357 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.455 1.052 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.643 0.143 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.180 0.891 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.963 -1.800 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.768 -0.208 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.181 -3.849 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.980 -2.261 5.447 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.460 -4.364 4.846 1.00 0.00 H new ATOM 866 N GLU A 57 -4.852 2.142 3.479 1.00 0.00 N ATOM 867 CA GLU A 57 -6.131 2.312 4.159 1.00 0.00 C ATOM 868 C GLU A 57 -7.256 2.535 3.153 1.00 0.00 C ATOM 869 O GLU A 57 -8.307 1.896 3.226 1.00 0.00 O ATOM 870 CB GLU A 57 -6.063 3.489 5.134 1.00 0.00 C ATOM 871 CG GLU A 57 -5.011 3.321 6.217 1.00 0.00 C ATOM 872 CD GLU A 57 -5.188 4.303 7.360 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.310 4.826 7.524 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.205 4.547 8.089 1.00 0.00 O ATOM 0 H GLU A 57 -4.054 2.541 3.974 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.341 1.399 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.855 4.401 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.038 3.618 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.055 2.304 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.021 3.452 5.780 1.00 0.00 H new ATOM 881 N THR A 58 -7.030 3.447 2.212 1.00 0.00 N ATOM 882 CA THR A 58 -8.024 3.757 1.193 1.00 0.00 C ATOM 883 C THR A 58 -8.214 2.585 0.236 1.00 0.00 C ATOM 884 O THR A 58 -9.340 2.158 -0.023 1.00 0.00 O ATOM 885 CB THR A 58 -7.628 5.006 0.383 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.233 6.059 1.270 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.784 5.476 -0.487 1.00 0.00 C ATOM 0 H THR A 58 -6.166 3.984 2.135 1.00 0.00 H new ATOM 0 HA THR A 58 -8.961 3.953 1.715 1.00 0.00 H new ATOM 0 HB THR A 58 -6.791 4.743 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.649 6.686 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.481 6.359 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.064 4.683 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.637 5.724 0.144 1.00 0.00 H new ATOM 895 N LEU A 59 -7.107 2.068 -0.285 1.00 0.00 N ATOM 896 CA LEU A 59 -7.152 0.943 -1.213 1.00 0.00 C ATOM 897 C LEU A 59 -7.300 -0.377 -0.463 1.00 0.00 C ATOM 898 O LEU A 59 -7.140 -1.452 -1.041 1.00 0.00 O ATOM 899 CB LEU A 59 -5.887 0.915 -2.073 1.00 0.00 C ATOM 900 CG LEU A 59 -5.433 2.260 -2.642 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.119 2.105 -3.393 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.504 2.843 -3.552 1.00 0.00 C ATOM 0 H LEU A 59 -6.168 2.409 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.021 1.072 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.074 0.503 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.051 0.229 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.275 2.949 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.811 3.072 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.353 1.732 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.250 1.400 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.164 3.800 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.694 2.156 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.423 2.991 -2.984 1.00 0.00 H new ATOM 914 N SER A 60 -7.607 -0.287 0.827 1.00 0.00 N ATOM 915 CA SER A 60 -7.775 -1.474 1.657 1.00 0.00 C ATOM 916 C SER A 60 -9.235 -1.916 1.683 1.00 0.00 C ATOM 917 O SER A 60 -9.547 -3.080 1.431 1.00 0.00 O ATOM 918 CB SER A 60 -7.288 -1.199 3.081 1.00 0.00 C ATOM 919 OG SER A 60 -7.588 -2.285 3.941 1.00 0.00 O ATOM 0 H SER A 60 -7.744 0.595 1.320 1.00 0.00 H new ATOM 0 HA SER A 60 -7.178 -2.277 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.212 -1.023 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.756 -0.291 3.460 1.00 0.00 H new ATOM 0 HG SER A 60 -6.775 -2.808 4.103 1.00 0.00 H new ATOM 925 N ASP A 61 -10.125 -0.979 1.991 1.00 0.00 N ATOM 926 CA ASP A 61 -11.553 -1.271 2.050 1.00 0.00 C ATOM 927 C ASP A 61 -12.146 -1.367 0.648 1.00 0.00 C ATOM 928 O ASP A 61 -11.426 -1.298 -0.348 1.00 0.00 O ATOM 929 CB ASP A 61 -12.282 -0.192 2.853 1.00 0.00 C ATOM 930 CG ASP A 61 -13.513 -0.729 3.557 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.556 -1.946 3.833 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.432 0.069 3.834 1.00 0.00 O ATOM 0 H ASP A 61 -9.883 -0.011 2.204 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.683 -2.233 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.600 0.231 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.573 0.619 2.186 1.00 0.00 H new ATOM 937 N ALA A 62 -13.463 -1.528 0.578 1.00 0.00 N ATOM 938 CA ALA A 62 -14.153 -1.633 -0.702 1.00 0.00 C ATOM 939 C ALA A 62 -14.702 -0.281 -1.142 1.00 0.00 C ATOM 940 O ALA A 62 -14.267 0.279 -2.147 1.00 0.00 O ATOM 941 CB ALA A 62 -15.275 -2.658 -0.614 1.00 0.00 C ATOM 0 H ALA A 62 -14.074 -1.589 1.393 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.432 -1.963 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.782 -2.726 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.859 -3.631 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.989 -2.352 0.151 1.00 0.00 H new ATOM 947 N ASN A 63 -15.662 0.239 -0.383 1.00 0.00 N ATOM 948 CA ASN A 63 -16.272 1.526 -0.697 1.00 0.00 C ATOM 949 C ASN A 63 -15.211 2.616 -0.814 1.00 0.00 C ATOM 950 O ASN A 63 -15.277 3.467 -1.702 1.00 0.00 O ATOM 951 CB ASN A 63 -17.292 1.906 0.379 1.00 0.00 C ATOM 952 CG ASN A 63 -18.151 0.730 0.801 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.532 -0.102 -0.022 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.461 0.656 2.090 1.00 0.00 N ATOM 0 H ASN A 63 -16.034 -0.211 0.453 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.782 1.434 -1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.768 2.301 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.932 2.704 0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.037 -0.113 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -18.123 1.368 2.737 1.00 0.00 H new ATOM 961 N ARG A 64 -14.234 2.583 0.086 1.00 0.00 N ATOM 962 CA ARG A 64 -13.159 3.569 0.083 1.00 0.00 C ATOM 963 C ARG A 64 -12.370 3.509 -1.221 1.00 0.00 C ATOM 964 O ARG A 64 -12.205 4.519 -1.905 1.00 0.00 O ATOM 965 CB ARG A 64 -12.222 3.336 1.270 1.00 0.00 C ATOM 966 CG ARG A 64 -12.825 3.731 2.609 1.00 0.00 C ATOM 967 CD ARG A 64 -11.761 3.830 3.691 1.00 0.00 C ATOM 968 NE ARG A 64 -12.126 4.789 4.730 1.00 0.00 N ATOM 969 CZ ARG A 64 -12.139 6.104 4.544 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.811 6.614 3.364 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.482 6.913 5.538 1.00 0.00 N ATOM 0 H ARG A 64 -14.164 1.885 0.826 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.607 4.559 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.946 2.282 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.304 3.902 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.336 4.689 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.576 2.997 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.608 2.849 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.813 4.126 3.241 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.385 4.429 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.548 5.996 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.822 7.624 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.736 6.525 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.491 7.923 5.394 1.00 0.00 H new ATOM 985 N ARG A 65 -11.884 2.319 -1.558 1.00 0.00 N ATOM 986 CA ARG A 65 -11.110 2.127 -2.779 1.00 0.00 C ATOM 987 C ARG A 65 -11.968 2.393 -4.013 1.00 0.00 C ATOM 988 O ARG A 65 -11.464 2.818 -5.053 1.00 0.00 O ATOM 989 CB ARG A 65 -10.546 0.707 -2.834 1.00 0.00 C ATOM 990 CG ARG A 65 -9.690 0.438 -4.060 1.00 0.00 C ATOM 991 CD ARG A 65 -10.524 -0.090 -5.217 1.00 0.00 C ATOM 992 NE ARG A 65 -9.699 -0.719 -6.245 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.196 -1.379 -7.284 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.509 -1.497 -7.433 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.381 -1.924 -8.178 1.00 0.00 N ATOM 0 H ARG A 65 -12.012 1.473 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.284 2.838 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.950 0.527 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.372 -0.004 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.187 1.356 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.913 -0.284 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.248 -0.813 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.091 0.730 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.685 -0.647 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.139 -1.080 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.888 -2.005 -8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.371 -1.836 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.765 -2.431 -8.976 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.266 2.139 -3.891 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.195 2.351 -4.995 1.00 0.00 C ATOM 1011 C LYS A 66 -14.290 3.831 -5.350 1.00 0.00 C ATOM 1012 O LYS A 66 -14.254 4.200 -6.523 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.581 1.812 -4.632 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.672 2.242 -5.598 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.056 1.963 -5.036 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.084 2.947 -5.573 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.336 2.935 -4.766 1.00 0.00 N ATOM 0 H LYS A 66 -13.699 1.786 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.818 1.811 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.542 0.723 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.842 2.149 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.572 3.306 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.550 1.715 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.356 0.947 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.027 2.023 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.661 3.951 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.317 2.700 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.012 3.619 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.754 1.983 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.118 3.195 -3.783 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.410 4.674 -4.328 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.509 6.114 -4.534 1.00 0.00 C ATOM 1033 C GLU A 67 -13.175 6.689 -5.002 1.00 0.00 C ATOM 1034 O GLU A 67 -13.126 7.489 -5.937 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.951 6.807 -3.244 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.290 6.317 -2.718 1.00 0.00 C ATOM 1037 CD GLU A 67 -17.047 7.390 -1.960 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.685 7.662 -0.796 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -18.001 7.958 -2.531 1.00 0.00 O ATOM 0 H GLU A 67 -14.441 4.384 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.255 6.294 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.191 6.651 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.010 7.881 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.899 5.969 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.128 5.461 -2.063 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.097 6.278 -4.345 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.763 6.754 -4.691 1.00 0.00 C ATOM 1048 C TYR A 68 -10.399 6.365 -6.120 1.00 0.00 C ATOM 1049 O TYR A 68 -9.399 6.831 -6.667 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.728 6.187 -3.717 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.301 6.527 -4.085 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.593 5.749 -4.992 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.662 7.626 -3.526 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.289 6.055 -5.330 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.359 7.941 -3.859 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.676 7.152 -4.761 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.378 7.461 -5.097 1.00 0.00 O ATOM 0 H TYR A 68 -12.120 5.616 -3.569 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.763 7.842 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.937 6.566 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.835 5.103 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.070 4.890 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.193 8.245 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.752 5.439 -6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.878 8.800 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.209 8.408 -4.912 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.219 5.509 -6.720 1.00 0.00 N ATOM 1068 CA ASP A 69 -10.986 5.058 -8.087 1.00 0.00 C ATOM 1069 C ASP A 69 -11.958 5.729 -9.054 1.00 0.00 C ATOM 1070 O ASP A 69 -11.596 6.064 -10.182 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.127 3.538 -8.176 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.250 2.937 -9.257 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.092 3.578 -10.317 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.722 1.825 -9.044 1.00 0.00 O ATOM 0 H ASP A 69 -12.051 5.114 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.971 5.338 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.868 3.095 -7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.168 3.284 -8.374 1.00 0.00 H new ATOM 1079 N THR A 70 -13.194 5.921 -8.604 1.00 0.00 N ATOM 1080 CA THR A 70 -14.218 6.549 -9.429 1.00 0.00 C ATOM 1081 C THR A 70 -14.072 8.067 -9.427 1.00 0.00 C ATOM 1082 O THR A 70 -14.559 8.749 -10.329 1.00 0.00 O ATOM 1083 CB THR A 70 -15.633 6.181 -8.945 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.570 6.319 -10.019 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.055 7.066 -7.781 1.00 0.00 C ATOM 0 H THR A 70 -13.510 5.650 -7.673 1.00 0.00 H new ATOM 0 HA THR A 70 -14.080 6.175 -10.443 1.00 0.00 H new ATOM 0 HB THR A 70 -15.618 5.145 -8.607 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.467 6.082 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.058 6.787 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.357 6.937 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.053 8.109 -8.098 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.397 8.590 -8.408 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.186 10.028 -8.289 1.00 0.00 C ATOM 1095 C LEU A 71 -11.757 10.402 -8.672 1.00 0.00 C ATOM 1096 O LEU A 71 -11.535 11.327 -9.452 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.481 10.490 -6.861 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.868 10.148 -6.318 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.872 10.194 -4.798 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.913 11.097 -6.886 1.00 0.00 C ATOM 0 H LEU A 71 -12.987 8.040 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.869 10.529 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.735 10.052 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.352 11.571 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.120 9.135 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.868 9.948 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.153 9.473 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.598 11.195 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.894 10.838 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.666 12.121 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.928 11.013 -7.973 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.792 9.674 -8.119 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.397 9.943 -8.417 1.00 0.00 C ATOM 1114 C GLY A 72 -8.557 10.101 -7.164 1.00 0.00 C ATOM 1115 O GLY A 72 -8.635 9.281 -6.249 1.00 0.00 O ATOM 0 H GLY A 72 -10.951 8.903 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.994 9.130 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.325 10.851 -9.016 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.751 11.157 -7.124 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.892 11.419 -5.974 1.00 0.00 C ATOM 1121 C HIS A 73 -7.131 12.822 -5.426 1.00 0.00 C ATOM 1122 O HIS A 73 -7.363 13.001 -4.231 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.422 11.253 -6.361 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.469 11.663 -5.282 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.880 10.765 -4.417 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -4.001 12.884 -4.930 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.092 11.415 -3.579 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.148 12.703 -3.870 1.00 0.00 N ATOM 0 H HIS A 73 -7.674 11.845 -7.873 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.139 10.697 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.238 10.210 -6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.221 11.843 -7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.252 13.825 -5.397 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.503 10.970 -2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.640 13.443 -3.385 1.00 0.00 H new ATOM 1136 N SER A 74 -7.071 13.815 -6.308 1.00 0.00 N ATOM 1137 CA SER A 74 -7.276 15.203 -5.912 1.00 0.00 C ATOM 1138 C SER A 74 -8.738 15.456 -5.558 1.00 0.00 C ATOM 1139 O SER A 74 -9.079 16.490 -4.983 1.00 0.00 O ATOM 1140 CB SER A 74 -6.841 16.146 -7.036 1.00 0.00 C ATOM 1141 OG SER A 74 -6.796 17.489 -6.585 1.00 0.00 O ATOM 0 H SER A 74 -6.882 13.684 -7.302 1.00 0.00 H new ATOM 0 HA SER A 74 -6.667 15.397 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.859 15.849 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.534 16.063 -7.873 1.00 0.00 H new ATOM 0 HG SER A 74 -7.405 17.599 -5.825 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.598 14.505 -5.905 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.023 14.623 -5.623 1.00 0.00 C ATOM 1149 C ALA A 75 -11.405 13.820 -4.384 1.00 0.00 C ATOM 1150 O ALA A 75 -11.755 14.387 -3.348 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.839 14.165 -6.823 1.00 0.00 C ATOM 0 H ALA A 75 -9.333 13.643 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.244 15.672 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.901 14.259 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.595 14.784 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.606 13.124 -7.046 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.337 12.498 -4.497 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.678 11.617 -3.385 1.00 0.00 C ATOM 1159 C PHE A 76 -11.122 12.159 -2.072 1.00 0.00 C ATOM 1160 O PHE A 76 -11.777 12.089 -1.031 1.00 0.00 O ATOM 1161 CB PHE A 76 -11.136 10.209 -3.639 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.114 9.345 -2.410 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -10.072 9.435 -1.502 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.136 8.442 -2.164 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.049 8.642 -0.371 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.119 7.647 -1.034 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.073 7.746 -0.137 1.00 0.00 C ATOM 0 H PHE A 76 -11.049 12.013 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.764 11.573 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.746 9.726 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.125 10.284 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.268 10.133 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.955 8.359 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.231 8.723 0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.923 6.949 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.056 7.124 0.746 1.00 0.00 H new ATOM 1177 N THR A 77 -9.909 12.699 -2.127 1.00 0.00 N ATOM 1178 CA THR A 77 -9.263 13.252 -0.943 1.00 0.00 C ATOM 1179 C THR A 77 -8.765 14.670 -1.200 1.00 0.00 C ATOM 1180 O THR A 77 -7.560 14.909 -1.280 1.00 0.00 O ATOM 1181 CB THR A 77 -8.079 12.378 -0.490 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.335 13.052 0.531 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.164 12.055 -1.662 1.00 0.00 C ATOM 0 H THR A 77 -9.353 12.765 -2.980 1.00 0.00 H new ATOM 0 HA THR A 77 -10.014 13.272 -0.153 1.00 0.00 H new ATOM 0 HB THR A 77 -8.477 11.444 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.941 13.870 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.335 11.437 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.726 11.516 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.774 12.981 -2.085 1.00 0.00 H new ATOM 1191 N SER A 78 -9.699 15.606 -1.327 1.00 0.00 N ATOM 1192 CA SER A 78 -9.354 17.001 -1.577 1.00 0.00 C ATOM 1193 C SER A 78 -9.417 17.816 -0.289 1.00 0.00 C ATOM 1194 O SER A 78 -10.413 18.480 -0.009 1.00 0.00 O ATOM 1195 CB SER A 78 -10.298 17.602 -2.620 1.00 0.00 C ATOM 1196 OG SER A 78 -9.673 18.663 -3.322 1.00 0.00 O ATOM 0 H SER A 78 -10.701 15.424 -1.261 1.00 0.00 H new ATOM 0 HA SER A 78 -8.333 17.034 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.608 16.829 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.201 17.968 -2.130 1.00 0.00 H new ATOM 0 HG SER A 78 -9.261 18.316 -4.140 1.00 0.00 H new ATOM 1202 N GLY A 79 -8.342 17.759 0.493 1.00 0.00 N ATOM 1203 CA GLY A 79 -8.294 18.495 1.743 1.00 0.00 C ATOM 1204 C GLY A 79 -7.272 19.614 1.717 1.00 0.00 C ATOM 1205 O GLY A 79 -7.371 20.538 0.910 1.00 0.00 O ATOM 0 H GLY A 79 -7.504 17.216 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.279 18.911 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.057 17.809 2.556 1.00 0.00 H new ATOM 1209 N LYS A 80 -6.287 19.533 2.605 1.00 0.00 N ATOM 1210 CA LYS A 80 -5.241 20.547 2.683 1.00 0.00 C ATOM 1211 C LYS A 80 -4.083 20.206 1.751 1.00 0.00 C ATOM 1212 O LYS A 80 -3.597 21.060 1.011 1.00 0.00 O ATOM 1213 CB LYS A 80 -4.733 20.675 4.120 1.00 0.00 C ATOM 1214 CG LYS A 80 -5.678 21.436 5.034 1.00 0.00 C ATOM 1215 CD LYS A 80 -4.999 21.827 6.336 1.00 0.00 C ATOM 1216 CE LYS A 80 -4.820 20.628 7.254 1.00 0.00 C ATOM 1217 NZ LYS A 80 -4.493 21.040 8.647 1.00 0.00 N ATOM 0 H LYS A 80 -6.191 18.775 3.281 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.668 21.499 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.570 19.678 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.766 21.178 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.035 22.332 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.552 20.821 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.027 22.270 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.592 22.589 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.733 20.033 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.025 19.990 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.379 20.194 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.608 21.586 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.263 21.627 9.025 1.00 0.00 H new ATOM 1231 N GLY A 81 -3.646 18.951 1.791 1.00 0.00 N ATOM 1232 CA GLY A 81 -2.549 18.519 0.945 1.00 0.00 C ATOM 1233 C GLY A 81 -1.194 18.847 1.540 1.00 0.00 C ATOM 1234 O GLY A 81 -0.850 20.017 1.707 1.00 0.00 O ATOM 0 H GLY A 81 -4.033 18.225 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.621 17.443 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.638 18.995 -0.032 1.00 0.00 H new ATOM 1238 N GLN A 82 -0.424 17.813 1.861 1.00 0.00 N ATOM 1239 CA GLN A 82 0.900 17.998 2.443 1.00 0.00 C ATOM 1240 C GLN A 82 1.985 17.867 1.380 1.00 0.00 C ATOM 1241 O GLN A 82 3.038 17.278 1.623 1.00 0.00 O ATOM 1242 CB GLN A 82 1.137 16.978 3.559 1.00 0.00 C ATOM 1243 CG GLN A 82 0.446 17.334 4.865 1.00 0.00 C ATOM 1244 CD GLN A 82 1.156 18.443 5.617 1.00 0.00 C ATOM 1245 OE1 GLN A 82 2.382 18.547 5.581 1.00 0.00 O ATOM 1246 NE2 GLN A 82 0.386 19.280 6.303 1.00 0.00 N ATOM 0 H GLN A 82 -0.694 16.838 1.728 1.00 0.00 H new ATOM 0 HA GLN A 82 0.947 19.003 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.787 16.001 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.209 16.889 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.580 17.639 4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.393 16.448 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.626 19.156 6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.807 20.047 6.828 1.00 0.00 H new ATOM 1255 N SER A 83 1.721 18.421 0.201 1.00 0.00 N ATOM 1256 CA SER A 83 2.674 18.363 -0.902 1.00 0.00 C ATOM 1257 C SER A 83 3.771 19.409 -0.727 1.00 0.00 C ATOM 1258 O SER A 83 3.518 20.610 -0.807 1.00 0.00 O ATOM 1259 CB SER A 83 1.956 18.579 -2.236 1.00 0.00 C ATOM 1260 OG SER A 83 1.552 19.929 -2.385 1.00 0.00 O ATOM 0 H SER A 83 0.855 18.915 -0.015 1.00 0.00 H new ATOM 0 HA SER A 83 3.134 17.375 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.617 18.301 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.084 17.927 -2.293 1.00 0.00 H new ATOM 0 HG SER A 83 1.939 20.468 -1.664 1.00 0.00 H new ATOM 1266 N GLY A 84 4.992 18.941 -0.487 1.00 0.00 N ATOM 1267 CA GLY A 84 6.111 19.848 -0.304 1.00 0.00 C ATOM 1268 C GLY A 84 6.595 20.443 -1.612 1.00 0.00 C ATOM 1269 O GLY A 84 6.557 19.801 -2.662 1.00 0.00 O ATOM 0 H GLY A 84 5.227 17.951 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.816 20.652 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.932 19.315 0.175 1.00 0.00 H new ATOM 1273 N PRO A 85 7.061 21.699 -1.559 1.00 0.00 N ATOM 1274 CA PRO A 85 7.562 22.409 -2.740 1.00 0.00 C ATOM 1275 C PRO A 85 8.882 21.836 -3.242 1.00 0.00 C ATOM 1276 O PRO A 85 9.275 22.069 -4.386 1.00 0.00 O ATOM 1277 CB PRO A 85 7.756 23.841 -2.237 1.00 0.00 C ATOM 1278 CG PRO A 85 7.966 23.702 -0.768 1.00 0.00 C ATOM 1279 CD PRO A 85 7.134 22.524 -0.341 1.00 0.00 C ATOM 0 HA PRO A 85 6.878 22.330 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.612 24.316 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.885 24.459 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.019 23.540 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 85 7.660 24.607 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.597 21.983 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.144 22.832 -0.004 1.00 0.00 H new ATOM 1287 N SER A 86 9.563 21.087 -2.382 1.00 0.00 N ATOM 1288 CA SER A 86 10.842 20.484 -2.738 1.00 0.00 C ATOM 1289 C SER A 86 10.692 19.565 -3.947 1.00 0.00 C ATOM 1290 O SER A 86 11.319 19.779 -4.984 1.00 0.00 O ATOM 1291 CB SER A 86 11.407 19.697 -1.553 1.00 0.00 C ATOM 1292 OG SER A 86 12.661 19.122 -1.875 1.00 0.00 O ATOM 0 H SER A 86 9.250 20.883 -1.433 1.00 0.00 H new ATOM 0 HA SER A 86 11.534 21.286 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.516 20.357 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.707 18.913 -1.266 1.00 0.00 H new ATOM 0 HG SER A 86 13.002 18.626 -1.101 1.00 0.00 H new ATOM 1298 N SER A 87 9.855 18.542 -3.804 1.00 0.00 N ATOM 1299 CA SER A 87 9.624 17.588 -4.882 1.00 0.00 C ATOM 1300 C SER A 87 9.362 18.310 -6.200 1.00 0.00 C ATOM 1301 O SER A 87 9.040 19.498 -6.217 1.00 0.00 O ATOM 1302 CB SER A 87 8.442 16.678 -4.542 1.00 0.00 C ATOM 1303 OG SER A 87 8.834 15.641 -3.659 1.00 0.00 O ATOM 0 H SER A 87 9.326 18.353 -2.953 1.00 0.00 H new ATOM 0 HA SER A 87 10.521 16.979 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.646 17.266 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.036 16.247 -5.457 1.00 0.00 H new ATOM 0 HG SER A 87 8.373 14.811 -3.904 1.00 0.00 H new ATOM 1309 N GLY A 88 9.502 17.583 -7.305 1.00 0.00 N ATOM 1310 CA GLY A 88 9.277 18.170 -8.613 1.00 0.00 C ATOM 1311 C GLY A 88 10.494 18.907 -9.135 1.00 0.00 C ATOM 1312 O GLY A 88 11.300 18.342 -9.874 1.00 0.00 O ATOM 0 H GLY A 88 9.767 16.598 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.002 17.385 -9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.434 18.859 -8.558 1.00 0.00 H new TER 1316 GLY A 88