USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=24 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 174:sc= 0.111 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -0.583 K(o=-0.47,f=-1.6) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -166:sc= 0.596 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= -0.844 (180deg=-2.88!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= -0.0552 (180deg=-0.136) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.98! C(o=-4!,f=-3.2!) 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 56 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 58 THR OG1 : rot 157:sc= 0.00381 USER MOD Single : A 60 SER OG : rot -33:sc= 0.449 USER MOD Single : A 63 ASN : amide:sc= -0.288 K(o=-0.29,f=-5.2!) 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 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -101:sc= 0.55 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -4.11! C(o=-4.1!,f=-5.1!) USER MOD Single : A 83 SER OG : rot 14:sc= 1.1 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.730 19.298 -9.552 1.00 0.00 N ATOM 2 CA GLY A 1 12.580 18.122 -8.714 1.00 0.00 C ATOM 3 C GLY A 1 12.094 16.915 -9.491 1.00 0.00 C ATOM 4 O GLY A 1 10.895 16.760 -9.724 1.00 0.00 O ATOM 0 H1 GLY A 1 13.064 20.096 -8.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.421 19.102 -10.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.813 19.540 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.537 17.888 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.877 18.340 -7.910 1.00 0.00 H new ATOM 8 N SER A 2 13.027 16.058 -9.894 1.00 0.00 N ATOM 9 CA SER A 2 12.687 14.860 -10.654 1.00 0.00 C ATOM 10 C SER A 2 12.411 13.685 -9.721 1.00 0.00 C ATOM 11 O SER A 2 11.360 13.049 -9.801 1.00 0.00 O ATOM 12 CB SER A 2 13.820 14.505 -11.619 1.00 0.00 C ATOM 13 OG SER A 2 13.662 15.171 -12.859 1.00 0.00 O ATOM 0 H SER A 2 14.023 16.171 -9.707 1.00 0.00 H new ATOM 0 HA SER A 2 11.783 15.067 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.778 14.778 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.839 13.427 -11.781 1.00 0.00 H new ATOM 0 HG SER A 2 14.400 14.929 -13.457 1.00 0.00 H new ATOM 19 N SER A 3 13.362 13.403 -8.837 1.00 0.00 N ATOM 20 CA SER A 3 13.224 12.302 -7.891 1.00 0.00 C ATOM 21 C SER A 3 12.786 12.814 -6.522 1.00 0.00 C ATOM 22 O SER A 3 13.187 13.895 -6.094 1.00 0.00 O ATOM 23 CB SER A 3 14.545 11.541 -7.765 1.00 0.00 C ATOM 24 OG SER A 3 14.322 10.184 -7.421 1.00 0.00 O ATOM 0 H SER A 3 14.237 13.922 -8.756 1.00 0.00 H new ATOM 0 HA SER A 3 12.458 11.625 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.091 11.596 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.170 12.014 -7.007 1.00 0.00 H new ATOM 0 HG SER A 3 15.182 9.719 -7.348 1.00 0.00 H new ATOM 30 N GLY A 4 11.960 12.027 -5.839 1.00 0.00 N ATOM 31 CA GLY A 4 11.481 12.417 -4.526 1.00 0.00 C ATOM 32 C GLY A 4 10.067 12.961 -4.563 1.00 0.00 C ATOM 33 O GLY A 4 9.858 14.171 -4.474 1.00 0.00 O ATOM 0 H GLY A 4 11.614 11.127 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.518 11.556 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.147 13.173 -4.109 1.00 0.00 H new ATOM 37 N SER A 5 9.093 12.067 -4.695 1.00 0.00 N ATOM 38 CA SER A 5 7.691 12.465 -4.749 1.00 0.00 C ATOM 39 C SER A 5 6.777 11.264 -4.531 1.00 0.00 C ATOM 40 O SER A 5 7.085 10.150 -4.954 1.00 0.00 O ATOM 41 CB SER A 5 7.377 13.122 -6.095 1.00 0.00 C ATOM 42 OG SER A 5 6.149 13.826 -6.044 1.00 0.00 O ATOM 0 H SER A 5 9.249 11.062 -4.767 1.00 0.00 H new ATOM 0 HA SER A 5 7.512 13.185 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.181 13.806 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.331 12.360 -6.873 1.00 0.00 H new ATOM 0 HG SER A 5 5.972 14.238 -6.915 1.00 0.00 H new ATOM 48 N SER A 6 5.649 11.499 -3.867 1.00 0.00 N ATOM 49 CA SER A 6 4.690 10.436 -3.588 1.00 0.00 C ATOM 50 C SER A 6 3.648 10.341 -4.698 1.00 0.00 C ATOM 51 O SER A 6 3.524 9.313 -5.362 1.00 0.00 O ATOM 52 CB SER A 6 4.001 10.682 -2.245 1.00 0.00 C ATOM 53 OG SER A 6 4.948 10.960 -1.229 1.00 0.00 O ATOM 0 H SER A 6 5.377 12.416 -3.512 1.00 0.00 H new ATOM 0 HA SER A 6 5.233 9.492 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.306 11.517 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.413 9.807 -1.969 1.00 0.00 H new ATOM 0 HG SER A 6 4.483 11.270 -0.424 1.00 0.00 H new ATOM 59 N GLY A 7 2.899 11.423 -4.893 1.00 0.00 N ATOM 60 CA GLY A 7 1.876 11.442 -5.922 1.00 0.00 C ATOM 61 C GLY A 7 0.602 10.745 -5.487 1.00 0.00 C ATOM 62 O GLY A 7 0.031 11.074 -4.447 1.00 0.00 O ATOM 0 H GLY A 7 2.983 12.286 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.649 12.475 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.261 10.961 -6.821 1.00 0.00 H new ATOM 66 N SER A 8 0.155 9.780 -6.284 1.00 0.00 N ATOM 67 CA SER A 8 -1.063 9.039 -5.978 1.00 0.00 C ATOM 68 C SER A 8 -0.737 7.724 -5.278 1.00 0.00 C ATOM 69 O SER A 8 0.348 7.169 -5.449 1.00 0.00 O ATOM 70 CB SER A 8 -1.854 8.766 -7.259 1.00 0.00 C ATOM 71 OG SER A 8 -2.270 9.975 -7.870 1.00 0.00 O ATOM 0 H SER A 8 0.618 9.493 -7.146 1.00 0.00 H new ATOM 0 HA SER A 8 -1.670 9.647 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.239 8.196 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.725 8.153 -7.028 1.00 0.00 H new ATOM 0 HG SER A 8 -2.772 9.773 -8.687 1.00 0.00 H new ATOM 77 N TYR A 9 -1.685 7.231 -4.488 1.00 0.00 N ATOM 78 CA TYR A 9 -1.499 5.982 -3.758 1.00 0.00 C ATOM 79 C TYR A 9 -0.881 4.914 -4.656 1.00 0.00 C ATOM 80 O TYR A 9 0.237 4.456 -4.416 1.00 0.00 O ATOM 81 CB TYR A 9 -2.836 5.487 -3.204 1.00 0.00 C ATOM 82 CG TYR A 9 -3.539 6.499 -2.327 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.818 7.438 -1.600 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.924 6.514 -2.224 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.456 8.364 -0.797 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.571 7.437 -1.425 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.833 8.359 -0.713 1.00 0.00 C ATOM 88 OH TYR A 9 -5.473 9.279 0.085 1.00 0.00 O ATOM 0 H TYR A 9 -2.590 7.677 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.818 6.173 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.489 5.223 -4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.667 4.576 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.740 7.444 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.505 5.792 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.880 9.087 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.649 7.436 -1.358 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.442 9.141 0.032 1.00 0.00 H new ATOM 98 N TYR A 10 -1.616 4.523 -5.690 1.00 0.00 N ATOM 99 CA TYR A 10 -1.143 3.507 -6.624 1.00 0.00 C ATOM 100 C TYR A 10 0.363 3.625 -6.839 1.00 0.00 C ATOM 101 O TYR A 10 1.065 2.620 -6.954 1.00 0.00 O ATOM 102 CB TYR A 10 -1.872 3.636 -7.962 1.00 0.00 C ATOM 103 CG TYR A 10 -3.310 3.169 -7.915 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.655 1.981 -7.284 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.323 3.918 -8.502 1.00 0.00 C ATOM 106 CE1 TYR A 10 -4.967 1.551 -7.240 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.638 3.496 -8.462 1.00 0.00 C ATOM 108 CZ TYR A 10 -5.955 2.312 -7.830 1.00 0.00 C ATOM 109 OH TYR A 10 -7.263 1.887 -7.786 1.00 0.00 O ATOM 0 H TYR A 10 -2.542 4.894 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.355 2.528 -6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.847 4.678 -8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.336 3.059 -8.716 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.885 1.383 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.078 4.846 -8.998 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.218 0.624 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.413 4.090 -8.923 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.797 2.404 -8.425 1.00 0.00 H new ATOM 119 N ASP A 11 0.852 4.859 -6.892 1.00 0.00 N ATOM 120 CA ASP A 11 2.274 5.110 -7.091 1.00 0.00 C ATOM 121 C ASP A 11 3.053 4.881 -5.800 1.00 0.00 C ATOM 122 O ASP A 11 4.131 4.287 -5.811 1.00 0.00 O ATOM 123 CB ASP A 11 2.497 6.539 -7.589 1.00 0.00 C ATOM 124 CG ASP A 11 2.475 6.635 -9.102 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.545 6.075 -9.719 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.389 7.270 -9.669 1.00 0.00 O ATOM 0 H ASP A 11 0.284 5.701 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 11 2.639 4.410 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.726 7.189 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.455 6.904 -7.219 1.00 0.00 H new ATOM 131 N ILE A 12 2.500 5.357 -4.689 1.00 0.00 N ATOM 132 CA ILE A 12 3.143 5.204 -3.390 1.00 0.00 C ATOM 133 C ILE A 12 3.282 3.733 -3.015 1.00 0.00 C ATOM 134 O ILE A 12 4.347 3.288 -2.585 1.00 0.00 O ATOM 135 CB ILE A 12 2.356 5.932 -2.284 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.111 7.390 -2.677 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.105 5.853 -0.962 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.220 8.136 -1.708 1.00 0.00 C ATOM 0 H ILE A 12 1.608 5.852 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 12 4.134 5.650 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 12 1.390 5.441 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.069 7.905 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.660 7.420 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.537 6.372 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.233 4.808 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.083 6.322 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.090 9.163 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.248 7.645 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.679 8.138 -0.719 1.00 0.00 H new ATOM 150 N LEU A 13 2.200 2.981 -3.183 1.00 0.00 N ATOM 151 CA LEU A 13 2.201 1.557 -2.864 1.00 0.00 C ATOM 152 C LEU A 13 2.943 0.760 -3.932 1.00 0.00 C ATOM 153 O LEU A 13 3.718 -0.143 -3.621 1.00 0.00 O ATOM 154 CB LEU A 13 0.766 1.043 -2.734 1.00 0.00 C ATOM 155 CG LEU A 13 0.011 1.471 -1.475 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.456 1.085 -1.575 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.644 0.852 -0.237 1.00 0.00 C ATOM 0 H LEU A 13 1.311 3.333 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 13 2.717 1.423 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.201 1.378 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.787 -0.046 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 13 0.075 2.556 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.977 1.398 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.903 1.576 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.541 0.004 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.094 1.168 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.612 -0.235 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.681 1.179 -0.156 1.00 0.00 H new ATOM 169 N GLY A 14 2.703 1.104 -5.194 1.00 0.00 N ATOM 170 CA GLY A 14 3.358 0.412 -6.289 1.00 0.00 C ATOM 171 C GLY A 14 2.433 -0.556 -6.999 1.00 0.00 C ATOM 172 O GLY A 14 2.862 -1.619 -7.448 1.00 0.00 O ATOM 0 H GLY A 14 2.067 1.849 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.732 1.144 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.222 -0.131 -5.907 1.00 0.00 H new ATOM 176 N VAL A 15 1.159 -0.190 -7.100 1.00 0.00 N ATOM 177 CA VAL A 15 0.171 -1.035 -7.760 1.00 0.00 C ATOM 178 C VAL A 15 -0.550 -0.275 -8.867 1.00 0.00 C ATOM 179 O VAL A 15 -0.688 0.948 -8.826 1.00 0.00 O ATOM 180 CB VAL A 15 -0.869 -1.570 -6.757 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.309 -2.758 -5.990 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.306 -0.468 -5.805 1.00 0.00 C ATOM 0 H VAL A 15 0.787 0.686 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 15 0.712 -1.876 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.744 -1.907 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.058 -3.122 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.051 -3.553 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.583 -2.451 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.041 -0.863 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.441 -0.098 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.750 0.349 -6.374 1.00 0.00 H new ATOM 192 N PRO A 16 -1.023 -1.014 -9.881 1.00 0.00 N ATOM 193 CA PRO A 16 -1.740 -0.431 -11.019 1.00 0.00 C ATOM 194 C PRO A 16 -3.118 0.092 -10.629 1.00 0.00 C ATOM 195 O PRO A 16 -3.672 -0.293 -9.599 1.00 0.00 O ATOM 196 CB PRO A 16 -1.870 -1.603 -11.995 1.00 0.00 C ATOM 197 CG PRO A 16 -1.812 -2.819 -11.137 1.00 0.00 C ATOM 198 CD PRO A 16 -0.895 -2.477 -9.995 1.00 0.00 C ATOM 0 HA PRO A 16 -1.215 0.430 -11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.807 -1.554 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.064 -1.598 -12.729 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.804 -3.088 -10.774 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.435 -3.674 -11.697 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.194 -2.979 -9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.133 -2.776 -10.202 1.00 0.00 H new ATOM 206 N LYS A 17 -3.668 0.973 -11.459 1.00 0.00 N ATOM 207 CA LYS A 17 -4.983 1.548 -11.202 1.00 0.00 C ATOM 208 C LYS A 17 -6.050 0.461 -11.139 1.00 0.00 C ATOM 209 O LYS A 17 -7.069 0.615 -10.465 1.00 0.00 O ATOM 210 CB LYS A 17 -5.339 2.564 -12.291 1.00 0.00 C ATOM 211 CG LYS A 17 -4.475 3.813 -12.263 1.00 0.00 C ATOM 212 CD LYS A 17 -3.084 3.541 -12.812 1.00 0.00 C ATOM 213 CE LYS A 17 -2.364 4.832 -13.169 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.072 4.573 -13.863 1.00 0.00 N ATOM 0 H LYS A 17 -3.223 1.304 -12.315 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.948 2.054 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.242 2.087 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.384 2.853 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.951 4.599 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.398 4.180 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.501 2.990 -12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.158 2.908 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.004 5.440 -13.808 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.180 5.408 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.612 5.478 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.451 4.014 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.249 4.046 -14.742 1.00 0.00 H new ATOM 228 N SER A 18 -5.810 -0.640 -11.844 1.00 0.00 N ATOM 229 CA SER A 18 -6.752 -1.753 -11.869 1.00 0.00 C ATOM 230 C SER A 18 -6.254 -2.906 -11.003 1.00 0.00 C ATOM 231 O SER A 18 -6.674 -4.050 -11.171 1.00 0.00 O ATOM 232 CB SER A 18 -6.966 -2.235 -13.305 1.00 0.00 C ATOM 233 OG SER A 18 -7.996 -1.498 -13.941 1.00 0.00 O ATOM 0 H SER A 18 -4.971 -0.785 -12.406 1.00 0.00 H new ATOM 0 HA SER A 18 -7.702 -1.402 -11.465 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.039 -2.132 -13.869 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.221 -3.295 -13.302 1.00 0.00 H new ATOM 0 HG SER A 18 -8.113 -1.823 -14.858 1.00 0.00 H new ATOM 239 N ALA A 19 -5.354 -2.596 -10.075 1.00 0.00 N ATOM 240 CA ALA A 19 -4.799 -3.604 -9.181 1.00 0.00 C ATOM 241 C ALA A 19 -5.880 -4.195 -8.282 1.00 0.00 C ATOM 242 O ALA A 19 -6.744 -3.477 -7.780 1.00 0.00 O ATOM 243 CB ALA A 19 -3.680 -3.006 -8.341 1.00 0.00 C ATOM 0 H ALA A 19 -4.994 -1.654 -9.923 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.390 -4.409 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.275 -3.770 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.890 -2.638 -8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.072 -2.181 -7.747 1.00 0.00 H new ATOM 249 N SER A 20 -5.826 -5.508 -8.085 1.00 0.00 N ATOM 250 CA SER A 20 -6.804 -6.197 -7.250 1.00 0.00 C ATOM 251 C SER A 20 -6.358 -6.211 -5.791 1.00 0.00 C ATOM 252 O SER A 20 -5.163 -6.228 -5.496 1.00 0.00 O ATOM 253 CB SER A 20 -7.011 -7.629 -7.746 1.00 0.00 C ATOM 254 OG SER A 20 -7.871 -8.349 -6.880 1.00 0.00 O ATOM 0 H SER A 20 -5.116 -6.116 -8.492 1.00 0.00 H new ATOM 0 HA SER A 20 -7.748 -5.657 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.433 -7.612 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.049 -8.137 -7.813 1.00 0.00 H new ATOM 0 HG SER A 20 -7.989 -9.261 -7.220 1.00 0.00 H new ATOM 260 N GLU A 21 -7.328 -6.204 -4.882 1.00 0.00 N ATOM 261 CA GLU A 21 -7.036 -6.216 -3.454 1.00 0.00 C ATOM 262 C GLU A 21 -5.778 -7.029 -3.162 1.00 0.00 C ATOM 263 O GLU A 21 -4.797 -6.505 -2.633 1.00 0.00 O ATOM 264 CB GLU A 21 -8.220 -6.791 -2.673 1.00 0.00 C ATOM 265 CG GLU A 21 -8.122 -6.574 -1.172 1.00 0.00 C ATOM 266 CD GLU A 21 -6.688 -6.518 -0.683 1.00 0.00 C ATOM 267 OE1 GLU A 21 -6.053 -5.452 -0.830 1.00 0.00 O ATOM 268 OE2 GLU A 21 -6.200 -7.538 -0.154 1.00 0.00 O ATOM 0 H GLU A 21 -8.322 -6.190 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.865 -5.187 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.141 -6.336 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.292 -7.860 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.628 -5.645 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.646 -7.379 -0.657 1.00 0.00 H new ATOM 275 N ARG A 22 -5.815 -8.311 -3.510 1.00 0.00 N ATOM 276 CA ARG A 22 -4.679 -9.197 -3.285 1.00 0.00 C ATOM 277 C ARG A 22 -3.365 -8.485 -3.591 1.00 0.00 C ATOM 278 O ARG A 22 -2.400 -8.591 -2.835 1.00 0.00 O ATOM 279 CB ARG A 22 -4.805 -10.452 -4.150 1.00 0.00 C ATOM 280 CG ARG A 22 -3.696 -11.465 -3.918 1.00 0.00 C ATOM 281 CD ARG A 22 -4.169 -12.883 -4.196 1.00 0.00 C ATOM 282 NE ARG A 22 -3.230 -13.882 -3.693 1.00 0.00 N ATOM 283 CZ ARG A 22 -3.437 -15.192 -3.775 1.00 0.00 C ATOM 284 NH1 ARG A 22 -4.543 -15.658 -4.338 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.535 -16.039 -3.295 1.00 0.00 N ATOM 0 H ARG A 22 -6.619 -8.759 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.679 -9.487 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.766 -10.926 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.806 -10.161 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.848 -11.231 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.345 -11.393 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.144 -13.037 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.300 -13.017 -5.270 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.368 -13.556 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.238 -15.010 -4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.699 -16.664 -4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.682 -15.685 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.695 -17.044 -3.358 1.00 0.00 H new ATOM 299 N GLN A 23 -3.336 -7.760 -4.705 1.00 0.00 N ATOM 300 CA GLN A 23 -2.140 -7.032 -5.111 1.00 0.00 C ATOM 301 C GLN A 23 -1.855 -5.877 -4.157 1.00 0.00 C ATOM 302 O GLN A 23 -0.701 -5.599 -3.831 1.00 0.00 O ATOM 303 CB GLN A 23 -2.299 -6.503 -6.538 1.00 0.00 C ATOM 304 CG GLN A 23 -1.998 -7.539 -7.608 1.00 0.00 C ATOM 305 CD GLN A 23 -2.236 -7.016 -9.011 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.480 -6.182 -9.511 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.290 -7.504 -9.655 1.00 0.00 N ATOM 0 H GLN A 23 -4.127 -7.661 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.297 -7.722 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.319 -6.141 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.637 -5.648 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.961 -7.860 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.620 -8.418 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.890 -8.194 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.500 -7.189 -10.602 1.00 0.00 H new ATOM 316 N ILE A 24 -2.914 -5.207 -3.714 1.00 0.00 N ATOM 317 CA ILE A 24 -2.777 -4.083 -2.797 1.00 0.00 C ATOM 318 C ILE A 24 -2.236 -4.538 -1.446 1.00 0.00 C ATOM 319 O ILE A 24 -1.157 -4.123 -1.024 1.00 0.00 O ATOM 320 CB ILE A 24 -4.122 -3.364 -2.583 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.564 -2.667 -3.872 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.011 -2.361 -1.444 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.062 -2.495 -3.982 1.00 0.00 C ATOM 0 H ILE A 24 -3.876 -5.423 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.071 -3.388 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.875 -4.106 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.089 -1.688 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.209 -3.242 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.969 -1.861 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.737 -2.881 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.247 -1.621 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.303 -1.994 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.543 -3.473 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.422 -1.894 -3.147 1.00 0.00 H new ATOM 335 N LYS A 25 -2.993 -5.397 -0.771 1.00 0.00 N ATOM 336 CA LYS A 25 -2.590 -5.913 0.532 1.00 0.00 C ATOM 337 C LYS A 25 -1.147 -6.408 0.498 1.00 0.00 C ATOM 338 O LYS A 25 -0.358 -6.115 1.396 1.00 0.00 O ATOM 339 CB LYS A 25 -3.520 -7.049 0.964 1.00 0.00 C ATOM 340 CG LYS A 25 -4.697 -6.584 1.804 1.00 0.00 C ATOM 341 CD LYS A 25 -5.463 -7.759 2.389 1.00 0.00 C ATOM 342 CE LYS A 25 -6.888 -7.371 2.751 1.00 0.00 C ATOM 343 NZ LYS A 25 -7.578 -8.445 3.517 1.00 0.00 N ATOM 0 H LYS A 25 -3.889 -5.751 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.660 -5.100 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.896 -7.557 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.946 -7.782 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.339 -5.944 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.367 -5.981 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.479 -8.578 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.948 -8.125 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.876 -6.455 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.448 -7.157 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.546 -8.142 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.612 -9.313 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.058 -8.632 4.398 1.00 0.00 H new ATOM 357 N LYS A 26 -0.809 -7.160 -0.544 1.00 0.00 N ATOM 358 CA LYS A 26 0.539 -7.694 -0.697 1.00 0.00 C ATOM 359 C LYS A 26 1.542 -6.574 -0.953 1.00 0.00 C ATOM 360 O LYS A 26 2.537 -6.445 -0.241 1.00 0.00 O ATOM 361 CB LYS A 26 0.582 -8.705 -1.845 1.00 0.00 C ATOM 362 CG LYS A 26 -0.163 -9.995 -1.548 1.00 0.00 C ATOM 363 CD LYS A 26 0.580 -10.846 -0.533 1.00 0.00 C ATOM 364 CE LYS A 26 1.720 -11.618 -1.180 1.00 0.00 C ATOM 365 NZ LYS A 26 2.955 -10.793 -1.293 1.00 0.00 N ATOM 0 H LYS A 26 -1.451 -7.413 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 26 0.812 -8.196 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.156 -8.247 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.622 -8.940 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.159 -9.763 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.296 -10.560 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.974 -10.209 0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.114 -11.544 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.933 -12.512 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.415 -11.953 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.781 -11.365 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.065 -10.466 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.882 -9.971 -0.660 1.00 0.00 H new ATOM 379 N ALA A 27 1.273 -5.767 -1.974 1.00 0.00 N ATOM 380 CA ALA A 27 2.150 -4.656 -2.322 1.00 0.00 C ATOM 381 C ALA A 27 2.409 -3.762 -1.114 1.00 0.00 C ATOM 382 O ALA A 27 3.503 -3.221 -0.952 1.00 0.00 O ATOM 383 CB ALA A 27 1.550 -3.846 -3.461 1.00 0.00 C ATOM 0 H ALA A 27 0.454 -5.862 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 27 3.105 -5.068 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.216 -3.020 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.423 -4.485 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.581 -3.452 -3.156 1.00 0.00 H new ATOM 389 N PHE A 28 1.395 -3.611 -0.268 1.00 0.00 N ATOM 390 CA PHE A 28 1.513 -2.780 0.925 1.00 0.00 C ATOM 391 C PHE A 28 2.251 -3.524 2.035 1.00 0.00 C ATOM 392 O PHE A 28 3.320 -3.102 2.476 1.00 0.00 O ATOM 393 CB PHE A 28 0.127 -2.355 1.415 1.00 0.00 C ATOM 394 CG PHE A 28 0.158 -1.575 2.698 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.120 -0.600 2.909 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.774 -1.818 3.694 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.151 0.119 4.089 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.748 -1.102 4.876 1.00 0.00 C ATOM 399 CZ PHE A 28 0.216 -0.133 5.074 1.00 0.00 C ATOM 0 H PHE A 28 0.483 -4.053 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 28 2.087 -1.891 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.353 -1.752 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.489 -3.244 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.854 -0.400 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.529 -2.575 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.905 0.877 4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.481 -1.300 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.239 0.427 5.997 1.00 0.00 H new ATOM 409 N HIS A 29 1.670 -4.633 2.483 1.00 0.00 N ATOM 410 CA HIS A 29 2.272 -5.437 3.541 1.00 0.00 C ATOM 411 C HIS A 29 3.788 -5.500 3.381 1.00 0.00 C ATOM 412 O HIS A 29 4.535 -5.147 4.293 1.00 0.00 O ATOM 413 CB HIS A 29 1.687 -6.849 3.533 1.00 0.00 C ATOM 414 CG HIS A 29 0.430 -6.982 4.336 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.104 -8.121 5.041 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.583 -6.109 4.545 1.00 0.00 C ATOM 417 CE1 HIS A 29 -1.056 -7.944 5.648 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.494 -6.731 5.363 1.00 0.00 N ATOM 0 H HIS A 29 0.784 -4.995 2.130 1.00 0.00 H new ATOM 0 HA HIS A 29 2.045 -4.964 4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.483 -7.143 2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.432 -7.544 3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.660 -5.109 4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.560 -8.668 6.271 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.367 -6.323 5.696 1.00 0.00 H new ATOM 426 N LYS A 30 4.236 -5.953 2.215 1.00 0.00 N ATOM 427 CA LYS A 30 5.662 -6.062 1.933 1.00 0.00 C ATOM 428 C LYS A 30 6.361 -4.721 2.131 1.00 0.00 C ATOM 429 O LYS A 30 7.473 -4.660 2.658 1.00 0.00 O ATOM 430 CB LYS A 30 5.884 -6.558 0.502 1.00 0.00 C ATOM 431 CG LYS A 30 5.847 -8.071 0.370 1.00 0.00 C ATOM 432 CD LYS A 30 5.354 -8.499 -1.002 1.00 0.00 C ATOM 433 CE LYS A 30 6.117 -7.794 -2.113 1.00 0.00 C ATOM 434 NZ LYS A 30 7.487 -8.351 -2.284 1.00 0.00 N ATOM 0 H LYS A 30 3.631 -6.251 1.450 1.00 0.00 H new ATOM 0 HA LYS A 30 6.090 -6.781 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.121 -6.126 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.848 -6.194 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.844 -8.477 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.196 -8.488 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.466 -9.578 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.290 -8.278 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.567 -7.890 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.183 -6.729 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.975 -7.844 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.021 -8.237 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.424 -9.361 -2.523 1.00 0.00 H new ATOM 448 N LEU A 31 5.702 -3.648 1.708 1.00 0.00 N ATOM 449 CA LEU A 31 6.259 -2.306 1.841 1.00 0.00 C ATOM 450 C LEU A 31 6.383 -1.911 3.309 1.00 0.00 C ATOM 451 O LEU A 31 7.474 -1.606 3.790 1.00 0.00 O ATOM 452 CB LEU A 31 5.384 -1.294 1.100 1.00 0.00 C ATOM 453 CG LEU A 31 5.569 -1.228 -0.416 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.512 -0.334 -1.045 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.965 -0.731 -0.762 1.00 0.00 C ATOM 0 H LEU A 31 4.781 -3.681 1.270 1.00 0.00 H new ATOM 0 HA LEU A 31 7.255 -2.307 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.340 -1.526 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.579 -0.304 1.513 1.00 0.00 H new ATOM 0 HG LEU A 31 5.452 -2.233 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.660 -0.299 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.521 -0.733 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.596 0.672 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.079 -0.690 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.110 0.265 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.707 -1.411 -0.345 1.00 0.00 H new ATOM 467 N ALA A 32 5.258 -1.920 4.016 1.00 0.00 N ATOM 468 CA ALA A 32 5.242 -1.567 5.430 1.00 0.00 C ATOM 469 C ALA A 32 6.438 -2.168 6.160 1.00 0.00 C ATOM 470 O ALA A 32 7.021 -1.536 7.040 1.00 0.00 O ATOM 471 CB ALA A 32 3.942 -2.028 6.074 1.00 0.00 C ATOM 0 H ALA A 32 4.346 -2.168 3.633 1.00 0.00 H new ATOM 0 HA ALA A 32 5.310 -0.482 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.943 -1.758 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.099 -1.547 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.851 -3.110 5.976 1.00 0.00 H new ATOM 477 N MET A 33 6.798 -3.392 5.789 1.00 0.00 N ATOM 478 CA MET A 33 7.926 -4.077 6.409 1.00 0.00 C ATOM 479 C MET A 33 9.247 -3.438 5.991 1.00 0.00 C ATOM 480 O MET A 33 10.199 -3.389 6.770 1.00 0.00 O ATOM 481 CB MET A 33 7.921 -5.559 6.030 1.00 0.00 C ATOM 482 CG MET A 33 6.668 -6.296 6.474 1.00 0.00 C ATOM 483 SD MET A 33 6.198 -5.906 8.171 1.00 0.00 S ATOM 484 CE MET A 33 4.424 -6.136 8.092 1.00 0.00 C ATOM 0 H MET A 33 6.325 -3.930 5.062 1.00 0.00 H new ATOM 0 HA MET A 33 7.824 -3.985 7.490 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.022 -5.649 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.792 -6.042 6.472 1.00 0.00 H new ATOM 0 HG2 MET A 33 5.845 -6.042 5.806 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.832 -7.370 6.384 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.987 -5.931 9.069 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.001 -5.453 7.355 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.203 -7.164 7.804 1.00 0.00 H new ATOM 494 N LYS A 34 9.298 -2.950 4.756 1.00 0.00 N ATOM 495 CA LYS A 34 10.502 -2.313 4.234 1.00 0.00 C ATOM 496 C LYS A 34 10.721 -0.950 4.884 1.00 0.00 C ATOM 497 O LYS A 34 11.858 -0.541 5.120 1.00 0.00 O ATOM 498 CB LYS A 34 10.402 -2.156 2.715 1.00 0.00 C ATOM 499 CG LYS A 34 11.516 -1.314 2.116 1.00 0.00 C ATOM 500 CD LYS A 34 11.619 -1.513 0.614 1.00 0.00 C ATOM 501 CE LYS A 34 10.371 -1.018 -0.101 1.00 0.00 C ATOM 502 NZ LYS A 34 10.118 -1.770 -1.361 1.00 0.00 N ATOM 0 H LYS A 34 8.520 -2.983 4.098 1.00 0.00 H new ATOM 0 HA LYS A 34 11.354 -2.950 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.417 -3.144 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.442 -1.703 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.334 -0.261 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.464 -1.577 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.492 -0.982 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.770 -2.570 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.510 -1.117 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.479 0.043 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.331 -1.327 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.973 -1.754 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.873 -2.755 -1.134 1.00 0.00 H new ATOM 516 N TYR A 35 9.628 -0.254 5.171 1.00 0.00 N ATOM 517 CA TYR A 35 9.701 1.063 5.792 1.00 0.00 C ATOM 518 C TYR A 35 9.127 1.032 7.205 1.00 0.00 C ATOM 519 O TYR A 35 8.796 2.071 7.777 1.00 0.00 O ATOM 520 CB TYR A 35 8.949 2.092 4.947 1.00 0.00 C ATOM 521 CG TYR A 35 9.604 2.375 3.613 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.680 3.249 3.517 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.146 1.769 2.450 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.281 3.511 2.301 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.742 2.024 1.230 1.00 0.00 C ATOM 526 CZ TYR A 35 10.809 2.896 1.160 1.00 0.00 C ATOM 527 OH TYR A 35 11.404 3.153 -0.053 1.00 0.00 O ATOM 0 H TYR A 35 8.680 -0.580 4.984 1.00 0.00 H new ATOM 0 HA TYR A 35 10.751 1.350 5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.933 1.736 4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.870 3.023 5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.053 3.732 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.310 1.087 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.116 4.194 2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.375 1.543 0.335 1.00 0.00 H new ATOM 0 HH TYR A 35 10.952 2.639 -0.754 1.00 0.00 H new ATOM 537 N HIS A 36 9.011 -0.169 7.763 1.00 0.00 N ATOM 538 CA HIS A 36 8.478 -0.338 9.110 1.00 0.00 C ATOM 539 C HIS A 36 9.318 0.429 10.127 1.00 0.00 C ATOM 540 O HIS A 36 10.548 0.396 10.103 1.00 0.00 O ATOM 541 CB HIS A 36 8.434 -1.820 9.482 1.00 0.00 C ATOM 542 CG HIS A 36 7.318 -2.170 10.418 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.419 -2.046 11.788 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.073 -2.641 10.175 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.284 -2.427 12.347 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.450 -2.792 11.390 1.00 0.00 N ATOM 0 H HIS A 36 9.279 -1.039 7.303 1.00 0.00 H new ATOM 0 HA HIS A 36 7.465 0.063 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.333 -2.412 8.572 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.383 -2.099 9.940 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.648 -2.858 9.206 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.074 -2.438 13.406 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.498 -3.131 11.530 1.00 0.00 H new ATOM 554 N PRO A 37 8.639 1.136 11.043 1.00 0.00 N ATOM 555 CA PRO A 37 9.303 1.925 12.085 1.00 0.00 C ATOM 556 C PRO A 37 9.988 1.048 13.127 1.00 0.00 C ATOM 557 O PRO A 37 10.608 1.550 14.065 1.00 0.00 O ATOM 558 CB PRO A 37 8.154 2.712 12.720 1.00 0.00 C ATOM 559 CG PRO A 37 6.940 1.888 12.459 1.00 0.00 C ATOM 560 CD PRO A 37 7.172 1.220 11.131 1.00 0.00 C ATOM 0 HA PRO A 37 10.095 2.554 11.678 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.314 2.853 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.062 3.704 12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.792 1.150 13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.045 2.509 12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.710 0.234 11.091 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.753 1.802 10.310 1.00 0.00 H new ATOM 568 N ASP A 38 9.873 -0.265 12.957 1.00 0.00 N ATOM 569 CA ASP A 38 10.484 -1.212 13.883 1.00 0.00 C ATOM 570 C ASP A 38 11.629 -1.965 13.214 1.00 0.00 C ATOM 571 O ASP A 38 12.498 -2.520 13.886 1.00 0.00 O ATOM 572 CB ASP A 38 9.437 -2.203 14.396 1.00 0.00 C ATOM 573 CG ASP A 38 9.746 -2.698 15.795 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.883 -3.160 16.023 1.00 0.00 O ATOM 575 OD2 ASP A 38 8.850 -2.624 16.662 1.00 0.00 O ATOM 0 H ASP A 38 9.363 -0.697 12.187 1.00 0.00 H new ATOM 0 HA ASP A 38 10.886 -0.650 14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.457 -1.727 14.390 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.382 -3.054 13.717 1.00 0.00 H new ATOM 580 N LYS A 39 11.624 -1.980 11.885 1.00 0.00 N ATOM 581 CA LYS A 39 12.663 -2.663 11.123 1.00 0.00 C ATOM 582 C LYS A 39 13.705 -1.673 10.614 1.00 0.00 C ATOM 583 O LYS A 39 14.898 -1.973 10.587 1.00 0.00 O ATOM 584 CB LYS A 39 12.045 -3.420 9.945 1.00 0.00 C ATOM 585 CG LYS A 39 10.998 -4.440 10.359 1.00 0.00 C ATOM 586 CD LYS A 39 11.637 -5.748 10.796 1.00 0.00 C ATOM 587 CE LYS A 39 10.715 -6.931 10.542 1.00 0.00 C ATOM 588 NZ LYS A 39 11.016 -8.074 11.448 1.00 0.00 N ATOM 0 H LYS A 39 10.911 -1.527 11.313 1.00 0.00 H new ATOM 0 HA LYS A 39 13.157 -3.374 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.591 -2.703 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.837 -3.928 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.398 -4.037 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.320 -4.626 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.574 -5.894 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.882 -5.698 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.679 -6.621 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.815 -7.253 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.366 -8.860 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.996 -8.387 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.896 -7.774 12.437 1.00 0.00 H new ATOM 602 N ASN A 40 13.247 -0.492 10.214 1.00 0.00 N ATOM 603 CA ASN A 40 14.141 0.543 9.706 1.00 0.00 C ATOM 604 C ASN A 40 14.748 1.347 10.852 1.00 0.00 C ATOM 605 O ASN A 40 14.030 1.937 11.660 1.00 0.00 O ATOM 606 CB ASN A 40 13.387 1.476 8.757 1.00 0.00 C ATOM 607 CG ASN A 40 13.476 1.025 7.312 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.082 -0.002 7.006 1.00 0.00 O ATOM 609 ND2 ASN A 40 12.870 1.794 6.414 1.00 0.00 N ATOM 0 H ASN A 40 12.262 -0.227 10.232 1.00 0.00 H new ATOM 0 HA ASN A 40 14.948 0.055 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.340 1.525 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.791 2.484 8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.896 1.542 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.379 2.637 6.713 1.00 0.00 H new ATOM 616 N LYS A 41 16.075 1.366 10.916 1.00 0.00 N ATOM 617 CA LYS A 41 16.780 2.099 11.961 1.00 0.00 C ATOM 618 C LYS A 41 17.071 3.530 11.520 1.00 0.00 C ATOM 619 O LYS A 41 18.115 4.092 11.853 1.00 0.00 O ATOM 620 CB LYS A 41 18.088 1.388 12.316 1.00 0.00 C ATOM 621 CG LYS A 41 17.889 0.109 13.111 1.00 0.00 C ATOM 622 CD LYS A 41 17.730 -1.096 12.199 1.00 0.00 C ATOM 623 CE LYS A 41 19.073 -1.736 11.883 1.00 0.00 C ATOM 624 NZ LYS A 41 18.961 -2.755 10.803 1.00 0.00 N ATOM 0 H LYS A 41 16.684 0.882 10.256 1.00 0.00 H new ATOM 0 HA LYS A 41 16.140 2.132 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.626 1.155 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.717 2.068 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.741 -0.045 13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.007 0.206 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.079 -1.830 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.244 -0.791 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.781 -0.964 11.582 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.474 -2.203 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.897 -3.168 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.305 -3.505 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.603 -2.305 9.937 1.00 0.00 H new ATOM 638 N SER A 42 16.141 4.115 10.772 1.00 0.00 N ATOM 639 CA SER A 42 16.299 5.480 10.285 1.00 0.00 C ATOM 640 C SER A 42 15.052 6.309 10.579 1.00 0.00 C ATOM 641 O SER A 42 13.944 5.788 10.703 1.00 0.00 O ATOM 642 CB SER A 42 16.580 5.478 8.781 1.00 0.00 C ATOM 643 OG SER A 42 17.969 5.376 8.522 1.00 0.00 O ATOM 0 H SER A 42 15.270 3.665 10.490 1.00 0.00 H new ATOM 0 HA SER A 42 17.145 5.930 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.057 4.645 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.190 6.392 8.334 1.00 0.00 H new ATOM 0 HG SER A 42 18.122 5.375 7.554 1.00 0.00 H new ATOM 649 N PRO A 43 15.237 7.633 10.695 1.00 0.00 N ATOM 650 CA PRO A 43 14.140 8.564 10.976 1.00 0.00 C ATOM 651 C PRO A 43 13.181 8.701 9.798 1.00 0.00 C ATOM 652 O PRO A 43 11.963 8.639 9.967 1.00 0.00 O ATOM 653 CB PRO A 43 14.859 9.890 11.238 1.00 0.00 C ATOM 654 CG PRO A 43 16.147 9.775 10.499 1.00 0.00 C ATOM 655 CD PRO A 43 16.531 8.322 10.559 1.00 0.00 C ATOM 0 HA PRO A 43 13.522 8.227 11.808 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.272 10.736 10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.027 10.046 12.304 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.036 10.107 9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.915 10.401 10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.060 8.009 9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.188 8.114 11.404 1.00 0.00 H new ATOM 663 N ASP A 44 13.737 8.888 8.607 1.00 0.00 N ATOM 664 CA ASP A 44 12.931 9.033 7.400 1.00 0.00 C ATOM 665 C ASP A 44 11.962 7.864 7.251 1.00 0.00 C ATOM 666 O ASP A 44 10.827 8.038 6.809 1.00 0.00 O ATOM 667 CB ASP A 44 13.830 9.127 6.167 1.00 0.00 C ATOM 668 CG ASP A 44 14.360 7.775 5.732 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.301 7.269 6.380 1.00 0.00 O ATOM 670 OD2 ASP A 44 13.832 7.221 4.746 1.00 0.00 O ATOM 0 H ASP A 44 14.743 8.943 8.451 1.00 0.00 H new ATOM 0 HA ASP A 44 12.353 9.953 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.270 9.576 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.668 9.790 6.382 1.00 0.00 H new ATOM 675 N ALA A 45 12.420 6.672 7.621 1.00 0.00 N ATOM 676 CA ALA A 45 11.594 5.474 7.528 1.00 0.00 C ATOM 677 C ALA A 45 10.193 5.730 8.072 1.00 0.00 C ATOM 678 O ALA A 45 9.201 5.549 7.366 1.00 0.00 O ATOM 679 CB ALA A 45 12.250 4.322 8.275 1.00 0.00 C ATOM 0 H ALA A 45 13.358 6.510 7.988 1.00 0.00 H new ATOM 0 HA ALA A 45 11.503 5.206 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.623 3.434 8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.227 4.115 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.370 4.591 9.325 1.00 0.00 H new ATOM 685 N GLU A 46 10.119 6.152 9.331 1.00 0.00 N ATOM 686 CA GLU A 46 8.838 6.431 9.968 1.00 0.00 C ATOM 687 C GLU A 46 7.942 7.258 9.051 1.00 0.00 C ATOM 688 O GLU A 46 6.761 6.957 8.882 1.00 0.00 O ATOM 689 CB GLU A 46 9.051 7.169 11.292 1.00 0.00 C ATOM 690 CG GLU A 46 7.840 7.137 12.209 1.00 0.00 C ATOM 691 CD GLU A 46 8.095 7.826 13.535 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.638 7.170 14.449 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.751 9.020 13.660 1.00 0.00 O ATOM 0 H GLU A 46 10.931 6.308 9.929 1.00 0.00 H new ATOM 0 HA GLU A 46 8.346 5.479 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.901 6.727 11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.310 8.207 11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.998 7.617 11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.554 6.101 12.391 1.00 0.00 H new ATOM 700 N ALA A 47 8.514 8.303 8.461 1.00 0.00 N ATOM 701 CA ALA A 47 7.769 9.174 7.560 1.00 0.00 C ATOM 702 C ALA A 47 7.327 8.420 6.310 1.00 0.00 C ATOM 703 O ALA A 47 6.175 8.519 5.887 1.00 0.00 O ATOM 704 CB ALA A 47 8.609 10.384 7.180 1.00 0.00 C ATOM 0 H ALA A 47 9.491 8.567 8.591 1.00 0.00 H new ATOM 0 HA ALA A 47 6.875 9.516 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.040 11.025 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.870 10.942 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.520 10.053 6.681 1.00 0.00 H new ATOM 710 N LYS A 48 8.251 7.668 5.721 1.00 0.00 N ATOM 711 CA LYS A 48 7.957 6.897 4.519 1.00 0.00 C ATOM 712 C LYS A 48 6.670 6.096 4.687 1.00 0.00 C ATOM 713 O LYS A 48 5.739 6.225 3.892 1.00 0.00 O ATOM 714 CB LYS A 48 9.119 5.954 4.197 1.00 0.00 C ATOM 715 CG LYS A 48 10.320 6.654 3.585 1.00 0.00 C ATOM 716 CD LYS A 48 10.232 6.689 2.069 1.00 0.00 C ATOM 717 CE LYS A 48 9.106 7.596 1.596 1.00 0.00 C ATOM 718 NZ LYS A 48 9.376 8.157 0.243 1.00 0.00 N ATOM 0 H LYS A 48 9.210 7.576 6.057 1.00 0.00 H new ATOM 0 HA LYS A 48 7.824 7.596 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.430 5.450 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.770 5.183 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.384 7.672 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.234 6.141 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.179 7.038 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.071 5.680 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.172 7.035 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.973 8.411 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.586 8.769 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.254 8.714 0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.477 7.380 -0.441 1.00 0.00 H new ATOM 732 N PHE A 49 6.624 5.269 5.726 1.00 0.00 N ATOM 733 CA PHE A 49 5.450 4.448 5.998 1.00 0.00 C ATOM 734 C PHE A 49 4.201 5.313 6.135 1.00 0.00 C ATOM 735 O PHE A 49 3.109 4.915 5.729 1.00 0.00 O ATOM 736 CB PHE A 49 5.659 3.628 7.273 1.00 0.00 C ATOM 737 CG PHE A 49 4.464 2.805 7.659 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.881 1.936 6.751 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.923 2.899 8.932 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.781 1.178 7.103 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.823 2.144 9.290 1.00 0.00 C ATOM 742 CZ PHE A 49 2.252 1.281 8.375 1.00 0.00 C ATOM 0 H PHE A 49 7.386 5.150 6.393 1.00 0.00 H new ATOM 0 HA PHE A 49 5.310 3.769 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.515 2.968 7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.906 4.303 8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.292 1.850 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.367 3.570 9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.335 0.506 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.410 2.228 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.394 0.688 8.654 1.00 0.00 H new ATOM 752 N ARG A 50 4.370 6.499 6.711 1.00 0.00 N ATOM 753 CA ARG A 50 3.257 7.420 6.905 1.00 0.00 C ATOM 754 C ARG A 50 2.528 7.676 5.589 1.00 0.00 C ATOM 755 O ARG A 50 1.363 8.072 5.580 1.00 0.00 O ATOM 756 CB ARG A 50 3.757 8.743 7.488 1.00 0.00 C ATOM 757 CG ARG A 50 2.649 9.618 8.051 1.00 0.00 C ATOM 758 CD ARG A 50 1.975 8.964 9.247 1.00 0.00 C ATOM 759 NE ARG A 50 0.892 8.070 8.844 1.00 0.00 N ATOM 760 CZ ARG A 50 -0.261 8.494 8.339 1.00 0.00 C ATOM 761 NH1 ARG A 50 -0.481 9.792 8.177 1.00 0.00 N ATOM 762 NH2 ARG A 50 -1.198 7.619 7.996 1.00 0.00 N ATOM 0 H ARG A 50 5.267 6.844 7.051 1.00 0.00 H new ATOM 0 HA ARG A 50 2.558 6.963 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.479 8.533 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.286 9.296 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.061 10.583 8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.908 9.812 7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.715 8.403 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.581 9.736 9.908 1.00 0.00 H new ATOM 0 HE ARG A 50 1.029 7.066 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.236 10.468 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.367 10.114 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.033 6.620 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.083 7.945 7.608 1.00 0.00 H new ATOM 776 N GLU A 51 3.223 7.446 4.479 1.00 0.00 N ATOM 777 CA GLU A 51 2.642 7.653 3.158 1.00 0.00 C ATOM 778 C GLU A 51 2.130 6.338 2.576 1.00 0.00 C ATOM 779 O GLU A 51 1.219 6.327 1.747 1.00 0.00 O ATOM 780 CB GLU A 51 3.674 8.273 2.213 1.00 0.00 C ATOM 781 CG GLU A 51 3.745 9.789 2.300 1.00 0.00 C ATOM 782 CD GLU A 51 2.395 10.449 2.096 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.959 10.559 0.931 1.00 0.00 O ATOM 784 OE2 GLU A 51 1.774 10.855 3.101 1.00 0.00 O ATOM 0 H GLU A 51 4.188 7.117 4.469 1.00 0.00 H new ATOM 0 HA GLU A 51 1.800 8.337 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.656 7.858 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.435 7.987 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.142 10.075 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.444 10.160 1.550 1.00 0.00 H new ATOM 791 N ILE A 52 2.722 5.233 3.017 1.00 0.00 N ATOM 792 CA ILE A 52 2.326 3.914 2.541 1.00 0.00 C ATOM 793 C ILE A 52 1.008 3.475 3.171 1.00 0.00 C ATOM 794 O ILE A 52 0.104 3.006 2.480 1.00 0.00 O ATOM 795 CB ILE A 52 3.405 2.858 2.846 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.798 3.428 2.573 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.168 1.604 2.019 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.914 2.432 2.804 1.00 0.00 C ATOM 0 H ILE A 52 3.477 5.225 3.703 1.00 0.00 H new ATOM 0 HA ILE A 52 2.201 3.993 1.461 1.00 0.00 H new ATOM 0 HB ILE A 52 3.343 2.590 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.843 3.779 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.958 4.296 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.939 0.867 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.189 1.190 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.207 1.855 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.873 2.904 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.896 2.099 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.778 1.574 2.145 1.00 0.00 H new ATOM 810 N ALA A 53 0.907 3.632 4.487 1.00 0.00 N ATOM 811 CA ALA A 53 -0.301 3.255 5.210 1.00 0.00 C ATOM 812 C ALA A 53 -1.516 4.009 4.679 1.00 0.00 C ATOM 813 O ALA A 53 -2.448 3.406 4.148 1.00 0.00 O ATOM 814 CB ALA A 53 -0.127 3.513 6.699 1.00 0.00 C ATOM 0 H ALA A 53 1.647 4.018 5.074 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.470 2.190 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.037 3.227 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.710 2.925 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.070 4.572 6.864 1.00 0.00 H new ATOM 820 N GLU A 54 -1.498 5.330 4.827 1.00 0.00 N ATOM 821 CA GLU A 54 -2.601 6.165 4.364 1.00 0.00 C ATOM 822 C GLU A 54 -3.018 5.778 2.948 1.00 0.00 C ATOM 823 O GLU A 54 -4.195 5.843 2.596 1.00 0.00 O ATOM 824 CB GLU A 54 -2.203 7.642 4.404 1.00 0.00 C ATOM 825 CG GLU A 54 -3.297 8.580 3.923 1.00 0.00 C ATOM 826 CD GLU A 54 -3.055 10.019 4.336 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.440 10.235 5.401 1.00 0.00 O ATOM 828 OE2 GLU A 54 -3.482 10.928 3.595 1.00 0.00 O ATOM 0 H GLU A 54 -0.733 5.845 5.263 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.449 6.006 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.930 7.909 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.315 7.787 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.366 8.524 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.256 8.248 4.321 1.00 0.00 H new ATOM 835 N ALA A 55 -2.043 5.375 2.139 1.00 0.00 N ATOM 836 CA ALA A 55 -2.308 4.976 0.762 1.00 0.00 C ATOM 837 C ALA A 55 -3.072 3.658 0.710 1.00 0.00 C ATOM 838 O ALA A 55 -3.940 3.466 -0.141 1.00 0.00 O ATOM 839 CB ALA A 55 -1.005 4.864 -0.015 1.00 0.00 C ATOM 0 H ALA A 55 -1.062 5.316 2.414 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.929 5.744 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.218 4.565 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.498 5.829 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.364 4.118 0.455 1.00 0.00 H new ATOM 845 N TYR A 56 -2.744 2.752 1.625 1.00 0.00 N ATOM 846 CA TYR A 56 -3.398 1.450 1.681 1.00 0.00 C ATOM 847 C TYR A 56 -4.783 1.563 2.310 1.00 0.00 C ATOM 848 O TYR A 56 -5.775 1.115 1.736 1.00 0.00 O ATOM 849 CB TYR A 56 -2.543 0.461 2.476 1.00 0.00 C ATOM 850 CG TYR A 56 -3.272 -0.813 2.839 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.484 -1.809 1.893 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.750 -1.020 4.127 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.150 -2.974 2.220 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.416 -2.183 4.463 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.614 -3.157 3.506 1.00 0.00 C ATOM 856 OH TYR A 56 -5.278 -4.316 3.837 1.00 0.00 O ATOM 0 H TYR A 56 -2.029 2.896 2.338 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.511 1.084 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.657 0.209 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.197 0.945 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.122 -1.670 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.598 -0.259 4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.307 -3.738 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.780 -2.329 5.469 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.537 -4.286 4.782 1.00 0.00 H new ATOM 866 N GLU A 57 -4.841 2.165 3.494 1.00 0.00 N ATOM 867 CA GLU A 57 -6.104 2.337 4.202 1.00 0.00 C ATOM 868 C GLU A 57 -7.249 2.576 3.221 1.00 0.00 C ATOM 869 O GLU A 57 -8.327 1.994 3.353 1.00 0.00 O ATOM 870 CB GLU A 57 -6.009 3.505 5.185 1.00 0.00 C ATOM 871 CG GLU A 57 -5.108 3.225 6.377 1.00 0.00 C ATOM 872 CD GLU A 57 -5.525 1.985 7.145 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.730 1.657 7.131 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.647 1.344 7.759 1.00 0.00 O ATOM 0 H GLU A 57 -4.029 2.541 3.983 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.308 1.421 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.637 4.384 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.009 3.748 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.081 3.106 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.121 4.084 7.047 1.00 0.00 H new ATOM 881 N THR A 58 -7.008 3.437 2.238 1.00 0.00 N ATOM 882 CA THR A 58 -8.018 3.755 1.236 1.00 0.00 C ATOM 883 C THR A 58 -8.189 2.610 0.244 1.00 0.00 C ATOM 884 O THR A 58 -9.309 2.181 -0.037 1.00 0.00 O ATOM 885 CB THR A 58 -7.658 5.038 0.463 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.307 6.080 1.381 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.821 5.491 -0.406 1.00 0.00 C ATOM 0 H THR A 58 -6.122 3.927 2.114 1.00 0.00 H new ATOM 0 HA THR A 58 -8.955 3.912 1.771 1.00 0.00 H new ATOM 0 HB THR A 58 -6.807 4.821 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.749 6.744 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.543 6.399 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.067 4.707 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.688 5.692 0.223 1.00 0.00 H new ATOM 895 N LEU A 59 -7.073 2.117 -0.282 1.00 0.00 N ATOM 896 CA LEU A 59 -7.099 1.020 -1.242 1.00 0.00 C ATOM 897 C LEU A 59 -7.257 -0.321 -0.532 1.00 0.00 C ATOM 898 O LEU A 59 -7.119 -1.380 -1.146 1.00 0.00 O ATOM 899 CB LEU A 59 -5.820 1.019 -2.081 1.00 0.00 C ATOM 900 CG LEU A 59 -5.428 2.356 -2.709 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.170 2.203 -3.550 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.571 2.904 -3.552 1.00 0.00 C ATOM 0 H LEU A 59 -6.139 2.460 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.956 1.165 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.997 0.681 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.933 0.285 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.220 3.065 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.907 3.165 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.351 1.855 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.349 1.479 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.275 3.856 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.809 2.196 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.449 3.052 -2.923 1.00 0.00 H new ATOM 914 N SER A 60 -7.548 -0.269 0.764 1.00 0.00 N ATOM 915 CA SER A 60 -7.723 -1.479 1.558 1.00 0.00 C ATOM 916 C SER A 60 -9.203 -1.805 1.732 1.00 0.00 C ATOM 917 O SER A 60 -9.620 -2.952 1.571 1.00 0.00 O ATOM 918 CB SER A 60 -7.060 -1.316 2.927 1.00 0.00 C ATOM 919 OG SER A 60 -7.744 -0.357 3.714 1.00 0.00 O ATOM 0 H SER A 60 -7.668 0.599 1.286 1.00 0.00 H new ATOM 0 HA SER A 60 -7.247 -2.304 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.048 -2.275 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.022 -1.011 2.798 1.00 0.00 H new ATOM 0 HG SER A 60 -8.107 0.344 3.133 1.00 0.00 H new ATOM 925 N ASP A 61 -9.991 -0.788 2.062 1.00 0.00 N ATOM 926 CA ASP A 61 -11.425 -0.965 2.258 1.00 0.00 C ATOM 927 C ASP A 61 -12.150 -1.053 0.919 1.00 0.00 C ATOM 928 O ASP A 61 -11.559 -0.817 -0.135 1.00 0.00 O ATOM 929 CB ASP A 61 -11.995 0.189 3.085 1.00 0.00 C ATOM 930 CG ASP A 61 -11.960 -0.093 4.574 1.00 0.00 C ATOM 931 OD1 ASP A 61 -12.765 -0.927 5.038 1.00 0.00 O ATOM 932 OD2 ASP A 61 -11.128 0.520 5.275 1.00 0.00 O ATOM 0 H ASP A 61 -9.661 0.167 2.199 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.580 -1.900 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.428 1.096 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.024 0.379 2.778 1.00 0.00 H new ATOM 937 N ALA A 62 -13.433 -1.396 0.967 1.00 0.00 N ATOM 938 CA ALA A 62 -14.238 -1.515 -0.242 1.00 0.00 C ATOM 939 C ALA A 62 -14.791 -0.159 -0.669 1.00 0.00 C ATOM 940 O ALA A 62 -14.380 0.397 -1.686 1.00 0.00 O ATOM 941 CB ALA A 62 -15.372 -2.505 -0.026 1.00 0.00 C ATOM 0 H ALA A 62 -13.937 -1.596 1.831 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.596 -1.884 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.965 -2.584 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.959 -3.482 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.006 -2.160 0.791 1.00 0.00 H new ATOM 947 N ASN A 63 -15.727 0.367 0.116 1.00 0.00 N ATOM 948 CA ASN A 63 -16.337 1.657 -0.182 1.00 0.00 C ATOM 949 C ASN A 63 -15.271 2.727 -0.398 1.00 0.00 C ATOM 950 O ASN A 63 -15.374 3.546 -1.311 1.00 0.00 O ATOM 951 CB ASN A 63 -17.273 2.076 0.953 1.00 0.00 C ATOM 952 CG ASN A 63 -18.377 1.065 1.195 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.189 -0.136 0.995 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.536 1.546 1.629 1.00 0.00 N ATOM 0 H ASN A 63 -16.079 -0.081 0.962 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.914 1.554 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.695 2.205 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.716 3.044 0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -20.315 0.913 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.647 2.548 1.781 1.00 0.00 H new ATOM 961 N ARG A 64 -14.246 2.712 0.449 1.00 0.00 N ATOM 962 CA ARG A 64 -13.161 3.681 0.352 1.00 0.00 C ATOM 963 C ARG A 64 -12.449 3.567 -0.993 1.00 0.00 C ATOM 964 O ARG A 64 -12.342 4.543 -1.735 1.00 0.00 O ATOM 965 CB ARG A 64 -12.160 3.473 1.490 1.00 0.00 C ATOM 966 CG ARG A 64 -12.721 3.804 2.863 1.00 0.00 C ATOM 967 CD ARG A 64 -11.621 3.889 3.909 1.00 0.00 C ATOM 968 NE ARG A 64 -11.965 4.805 4.993 1.00 0.00 N ATOM 969 CZ ARG A 64 -12.042 6.123 4.844 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.801 6.676 3.663 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.362 6.891 5.878 1.00 0.00 N ATOM 0 H ARG A 64 -14.145 2.040 1.209 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.591 4.679 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.826 2.435 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.281 4.092 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.257 4.752 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.444 3.042 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.433 2.897 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.696 4.219 3.436 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.157 4.412 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.556 6.089 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.861 7.688 3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.549 6.469 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.421 7.903 5.763 1.00 0.00 H new ATOM 985 N ARG A 65 -11.964 2.368 -1.300 1.00 0.00 N ATOM 986 CA ARG A 65 -11.261 2.127 -2.555 1.00 0.00 C ATOM 987 C ARG A 65 -12.184 2.356 -3.748 1.00 0.00 C ATOM 988 O ARG A 65 -11.740 2.763 -4.822 1.00 0.00 O ATOM 989 CB ARG A 65 -10.710 0.700 -2.589 1.00 0.00 C ATOM 990 CG ARG A 65 -9.784 0.433 -3.764 1.00 0.00 C ATOM 991 CD ARG A 65 -10.550 -0.082 -4.972 1.00 0.00 C ATOM 992 NE ARG A 65 -9.659 -0.608 -6.002 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.086 -1.141 -7.142 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.385 -1.216 -7.396 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.213 -1.598 -8.030 1.00 0.00 N ATOM 0 H ARG A 65 -12.045 1.549 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.432 2.831 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.172 0.505 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.543 -0.001 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.258 1.350 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.027 -0.296 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.241 -0.864 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.151 0.725 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.653 -0.564 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.059 -0.864 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.711 -1.625 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.213 -1.541 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.542 -2.007 -8.905 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.472 2.092 -3.553 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.458 2.269 -4.611 1.00 0.00 C ATOM 1011 C LYS A 66 -14.570 3.737 -5.011 1.00 0.00 C ATOM 1012 O LYS A 66 -14.677 4.061 -6.193 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.824 1.749 -4.156 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.732 1.339 -5.303 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.017 0.706 -4.797 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.080 1.756 -4.510 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.399 1.140 -4.198 1.00 0.00 N ATOM 0 H LYS A 66 -13.857 1.754 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.128 1.698 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.677 0.894 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.320 2.522 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.970 2.212 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.208 0.635 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.392 -0.000 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.811 0.138 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.761 2.376 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.182 2.415 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.096 1.889 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.716 0.569 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.308 0.531 -3.360 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.541 4.620 -4.018 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.638 6.053 -4.268 1.00 0.00 C ATOM 1033 C GLU A 67 -13.349 6.586 -4.885 1.00 0.00 C ATOM 1034 O GLU A 67 -13.376 7.284 -5.900 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.941 6.801 -2.967 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.274 6.423 -2.344 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.898 7.564 -1.564 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.103 8.645 -2.156 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.181 7.377 -0.362 1.00 0.00 O ATOM 0 H GLU A 67 -14.451 4.368 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.453 6.219 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.145 6.602 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.932 7.873 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.961 6.106 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.132 5.570 -1.681 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.222 6.253 -4.266 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.922 6.700 -4.753 1.00 0.00 C ATOM 1048 C TYR A 68 -10.706 6.274 -6.202 1.00 0.00 C ATOM 1049 O TYR A 68 -9.993 6.936 -6.955 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.804 6.139 -3.872 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.417 6.507 -4.347 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.752 5.727 -5.286 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.770 7.635 -3.857 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.484 6.060 -5.722 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.503 7.976 -4.289 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.864 7.185 -5.220 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.601 7.520 -5.653 1.00 0.00 O ATOM 0 H TYR A 68 -12.182 5.675 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.900 7.789 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.938 6.503 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.891 5.053 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.235 4.846 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.266 8.256 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.981 5.443 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.016 8.858 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.344 8.386 -5.273 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.328 5.164 -6.583 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.207 4.649 -7.942 1.00 0.00 C ATOM 1069 C ASP A 69 -12.209 5.327 -8.872 1.00 0.00 C ATOM 1070 O ASP A 69 -11.873 5.706 -9.994 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.423 3.135 -7.957 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.665 2.453 -9.079 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -9.501 2.832 -9.326 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -11.235 1.539 -9.711 1.00 0.00 O ATOM 0 H ASP A 69 -11.921 4.604 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.201 4.869 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.106 2.716 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.487 2.924 -8.061 1.00 0.00 H new ATOM 1079 N THR A 70 -13.442 5.476 -8.398 1.00 0.00 N ATOM 1080 CA THR A 70 -14.493 6.105 -9.187 1.00 0.00 C ATOM 1081 C THR A 70 -14.296 7.616 -9.259 1.00 0.00 C ATOM 1082 O THR A 70 -14.844 8.282 -10.139 1.00 0.00 O ATOM 1083 CB THR A 70 -15.888 5.808 -8.604 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.878 5.898 -9.634 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.224 6.780 -7.484 1.00 0.00 C ATOM 0 H THR A 70 -13.737 5.169 -7.471 1.00 0.00 H new ATOM 0 HA THR A 70 -14.430 5.684 -10.190 1.00 0.00 H new ATOM 0 HB THR A 70 -15.880 4.797 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.762 5.706 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.213 6.551 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.484 6.688 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.215 7.799 -7.872 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.512 8.150 -8.330 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.242 9.583 -8.289 1.00 0.00 C ATOM 1095 C LEU A 71 -11.799 9.877 -8.686 1.00 0.00 C ATOM 1096 O LEU A 71 -11.542 10.692 -9.571 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.520 10.134 -6.889 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.938 9.928 -6.356 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.969 10.090 -4.844 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.903 10.901 -7.018 1.00 0.00 C ATOM 0 H LEU A 71 -13.052 7.613 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.903 10.073 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.821 9.671 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.306 11.203 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.253 8.913 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.986 9.940 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.309 9.354 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.634 11.093 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.908 10.740 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.591 11.924 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.903 10.737 -8.096 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.860 9.206 -8.027 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.454 9.407 -8.327 1.00 0.00 C ATOM 1114 C GLY A 72 -8.634 9.705 -7.087 1.00 0.00 C ATOM 1115 O GLY A 72 -8.940 9.216 -5.999 1.00 0.00 O ATOM 0 H GLY A 72 -11.048 8.526 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.059 8.516 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.350 10.230 -9.034 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.587 10.507 -7.251 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.719 10.868 -6.136 1.00 0.00 C ATOM 1121 C HIS A 73 -7.022 12.281 -5.646 1.00 0.00 C ATOM 1122 O HIS A 73 -7.389 12.482 -4.488 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.251 10.765 -6.551 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.295 11.208 -5.487 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.931 10.411 -4.422 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.625 12.373 -5.329 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.080 11.067 -3.654 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.877 12.261 -4.182 1.00 0.00 N ATOM 0 H HIS A 73 -7.319 10.919 -8.145 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.909 10.171 -5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.030 9.732 -6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.092 11.368 -7.445 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.670 13.231 -5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.627 10.691 -2.748 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.265 12.982 -3.800 1.00 0.00 H new ATOM 1136 N SER A 74 -6.867 13.257 -6.536 1.00 0.00 N ATOM 1137 CA SER A 74 -7.120 14.651 -6.192 1.00 0.00 C ATOM 1138 C SER A 74 -8.609 14.893 -5.962 1.00 0.00 C ATOM 1139 O SER A 74 -8.995 15.711 -5.128 1.00 0.00 O ATOM 1140 CB SER A 74 -6.608 15.572 -7.301 1.00 0.00 C ATOM 1141 OG SER A 74 -6.802 16.935 -6.963 1.00 0.00 O ATOM 0 H SER A 74 -6.568 13.108 -7.500 1.00 0.00 H new ATOM 0 HA SER A 74 -6.587 14.874 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.548 15.384 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.127 15.348 -8.233 1.00 0.00 H new ATOM 0 HG SER A 74 -6.465 17.503 -7.687 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.441 14.173 -6.708 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.887 14.306 -6.585 1.00 0.00 C ATOM 1149 C ALA A 75 -11.388 13.674 -5.291 1.00 0.00 C ATOM 1150 O ALA A 75 -12.107 14.307 -4.517 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.579 13.677 -7.785 1.00 0.00 C ATOM 0 H ALA A 75 -9.138 13.492 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.128 15.369 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.659 13.784 -7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.252 14.177 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.323 12.619 -7.840 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.006 12.422 -5.063 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.419 11.704 -3.863 1.00 0.00 C ATOM 1159 C PHE A 76 -10.860 12.372 -2.610 1.00 0.00 C ATOM 1160 O PHE A 76 -11.258 12.049 -1.490 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.953 10.248 -3.929 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.009 9.540 -2.606 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.978 9.674 -1.689 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.092 8.740 -2.279 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.027 9.024 -0.470 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.146 8.088 -1.061 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.112 8.229 -0.156 1.00 0.00 C ATOM 0 H PHE A 76 -10.411 11.884 -5.693 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.508 11.728 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.572 9.709 -4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.930 10.219 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.127 10.293 -1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.903 8.624 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.218 9.138 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.996 7.469 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.152 7.719 0.795 1.00 0.00 H new ATOM 1177 N THR A 77 -9.934 13.305 -2.807 1.00 0.00 N ATOM 1178 CA THR A 77 -9.318 14.018 -1.695 1.00 0.00 C ATOM 1179 C THR A 77 -9.817 15.457 -1.620 1.00 0.00 C ATOM 1180 O THR A 77 -9.031 16.388 -1.448 1.00 0.00 O ATOM 1181 CB THR A 77 -7.783 14.024 -1.812 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.391 14.544 -3.088 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.221 12.622 -1.637 1.00 0.00 C ATOM 0 H THR A 77 -9.594 13.585 -3.727 1.00 0.00 H new ATOM 0 HA THR A 77 -9.603 13.490 -0.785 1.00 0.00 H new ATOM 0 HB THR A 77 -7.383 14.660 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.151 13.803 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.135 12.652 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.496 12.240 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.629 11.968 -2.408 1.00 0.00 H new ATOM 1191 N SER A 78 -11.128 15.631 -1.751 1.00 0.00 N ATOM 1192 CA SER A 78 -11.731 16.958 -1.701 1.00 0.00 C ATOM 1193 C SER A 78 -12.005 17.377 -0.260 1.00 0.00 C ATOM 1194 O SER A 78 -12.870 16.813 0.408 1.00 0.00 O ATOM 1195 CB SER A 78 -13.032 16.980 -2.507 1.00 0.00 C ATOM 1196 OG SER A 78 -13.442 18.310 -2.776 1.00 0.00 O ATOM 0 H SER A 78 -11.793 14.870 -1.892 1.00 0.00 H new ATOM 0 HA SER A 78 -11.028 17.666 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.892 16.442 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.814 16.459 -1.955 1.00 0.00 H new ATOM 0 HG SER A 78 -14.274 18.297 -3.293 1.00 0.00 H new ATOM 1202 N GLY A 79 -11.260 18.372 0.212 1.00 0.00 N ATOM 1203 CA GLY A 79 -11.437 18.850 1.571 1.00 0.00 C ATOM 1204 C GLY A 79 -10.123 19.211 2.234 1.00 0.00 C ATOM 1205 O GLY A 79 -9.938 20.339 2.692 1.00 0.00 O ATOM 0 H GLY A 79 -10.538 18.855 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.089 19.724 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.939 18.083 2.160 1.00 0.00 H new ATOM 1209 N LYS A 80 -9.206 18.250 2.288 1.00 0.00 N ATOM 1210 CA LYS A 80 -7.901 18.470 2.901 1.00 0.00 C ATOM 1211 C LYS A 80 -6.882 17.457 2.390 1.00 0.00 C ATOM 1212 O LYS A 80 -7.226 16.313 2.093 1.00 0.00 O ATOM 1213 CB LYS A 80 -8.008 18.379 4.425 1.00 0.00 C ATOM 1214 CG LYS A 80 -7.000 19.246 5.158 1.00 0.00 C ATOM 1215 CD LYS A 80 -7.487 20.679 5.289 1.00 0.00 C ATOM 1216 CE LYS A 80 -6.352 21.623 5.655 1.00 0.00 C ATOM 1217 NZ LYS A 80 -5.664 22.157 4.447 1.00 0.00 N ATOM 0 H LYS A 80 -9.343 17.311 1.914 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.562 19.469 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.014 18.670 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.871 17.341 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.815 18.832 6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.050 19.231 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.938 20.998 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.265 20.732 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.744 22.451 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.631 21.098 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.897 22.796 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.268 21.369 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.346 22.680 3.861 1.00 0.00 H new ATOM 1231 N GLY A 81 -5.627 17.884 2.293 1.00 0.00 N ATOM 1232 CA GLY A 81 -4.578 17.000 1.819 1.00 0.00 C ATOM 1233 C GLY A 81 -3.268 17.727 1.586 1.00 0.00 C ATOM 1234 O GLY A 81 -3.121 18.452 0.602 1.00 0.00 O ATOM 0 H GLY A 81 -5.318 18.826 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.423 16.203 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.898 16.527 0.890 1.00 0.00 H new ATOM 1238 N GLN A 82 -2.316 17.535 2.493 1.00 0.00 N ATOM 1239 CA GLN A 82 -1.014 18.181 2.382 1.00 0.00 C ATOM 1240 C GLN A 82 -0.054 17.332 1.555 1.00 0.00 C ATOM 1241 O GLN A 82 -0.026 16.108 1.682 1.00 0.00 O ATOM 1242 CB GLN A 82 -0.425 18.431 3.771 1.00 0.00 C ATOM 1243 CG GLN A 82 0.013 17.162 4.484 1.00 0.00 C ATOM 1244 CD GLN A 82 1.333 16.627 3.964 1.00 0.00 C ATOM 1245 OE1 GLN A 82 1.422 15.478 3.530 1.00 0.00 O ATOM 1246 NE2 GLN A 82 2.367 17.459 4.005 1.00 0.00 N ATOM 0 H GLN A 82 -2.422 16.937 3.313 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.153 19.137 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.431 19.100 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.166 18.945 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.102 17.362 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.756 16.399 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.248 18.403 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.280 17.154 3.669 1.00 0.00 H new ATOM 1255 N SER A 83 0.731 17.990 0.708 1.00 0.00 N ATOM 1256 CA SER A 83 1.690 17.295 -0.142 1.00 0.00 C ATOM 1257 C SER A 83 2.728 18.266 -0.696 1.00 0.00 C ATOM 1258 O SER A 83 2.535 19.480 -0.670 1.00 0.00 O ATOM 1259 CB SER A 83 0.967 16.593 -1.293 1.00 0.00 C ATOM 1260 OG SER A 83 0.409 15.361 -0.869 1.00 0.00 O ATOM 0 H SER A 83 0.722 19.003 0.592 1.00 0.00 H new ATOM 0 HA SER A 83 2.203 16.549 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.179 17.239 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.665 16.417 -2.112 1.00 0.00 H new ATOM 0 HG SER A 83 0.407 15.323 0.110 1.00 0.00 H new ATOM 1266 N GLY A 84 3.832 17.719 -1.197 1.00 0.00 N ATOM 1267 CA GLY A 84 4.886 18.550 -1.750 1.00 0.00 C ATOM 1268 C GLY A 84 5.908 18.960 -0.708 1.00 0.00 C ATOM 1269 O GLY A 84 6.021 20.132 -0.346 1.00 0.00 O ATOM 0 H GLY A 84 4.015 16.716 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.387 18.009 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.445 19.443 -2.193 1.00 0.00 H new ATOM 1273 N PRO A 85 6.674 17.980 -0.207 1.00 0.00 N ATOM 1274 CA PRO A 85 7.705 18.221 0.807 1.00 0.00 C ATOM 1275 C PRO A 85 8.892 19.001 0.254 1.00 0.00 C ATOM 1276 O PRO A 85 9.201 18.919 -0.935 1.00 0.00 O ATOM 1277 CB PRO A 85 8.135 16.811 1.218 1.00 0.00 C ATOM 1278 CG PRO A 85 7.821 15.960 0.036 1.00 0.00 C ATOM 1279 CD PRO A 85 6.594 16.561 -0.593 1.00 0.00 C ATOM 0 HA PRO A 85 7.330 18.825 1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.197 16.776 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.595 16.474 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.653 15.947 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 85 7.640 14.928 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.596 16.438 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.682 16.094 -0.221 1.00 0.00 H new ATOM 1287 N SER A 86 9.556 19.756 1.123 1.00 0.00 N ATOM 1288 CA SER A 86 10.708 20.553 0.720 1.00 0.00 C ATOM 1289 C SER A 86 12.002 19.761 0.885 1.00 0.00 C ATOM 1290 O SER A 86 12.549 19.668 1.983 1.00 0.00 O ATOM 1291 CB SER A 86 10.777 21.841 1.542 1.00 0.00 C ATOM 1292 OG SER A 86 11.593 22.810 0.906 1.00 0.00 O ATOM 0 H SER A 86 9.316 19.832 2.111 1.00 0.00 H new ATOM 0 HA SER A 86 10.591 20.808 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.773 22.242 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.173 21.622 2.534 1.00 0.00 H new ATOM 0 HG SER A 86 11.619 23.624 1.451 1.00 0.00 H new ATOM 1298 N SER A 87 12.484 19.191 -0.215 1.00 0.00 N ATOM 1299 CA SER A 87 13.710 18.403 -0.192 1.00 0.00 C ATOM 1300 C SER A 87 14.933 19.295 -0.388 1.00 0.00 C ATOM 1301 O SER A 87 15.901 19.214 0.366 1.00 0.00 O ATOM 1302 CB SER A 87 13.670 17.327 -1.279 1.00 0.00 C ATOM 1303 OG SER A 87 12.985 16.171 -0.829 1.00 0.00 O ATOM 0 H SER A 87 12.044 19.260 -1.133 1.00 0.00 H new ATOM 0 HA SER A 87 13.785 17.922 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.178 17.722 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.686 17.061 -1.569 1.00 0.00 H new ATOM 0 HG SER A 87 12.972 15.500 -1.543 1.00 0.00 H new ATOM 1309 N GLY A 88 14.879 20.146 -1.408 1.00 0.00 N ATOM 1310 CA GLY A 88 15.987 21.041 -1.686 1.00 0.00 C ATOM 1311 C GLY A 88 15.532 22.363 -2.271 1.00 0.00 C ATOM 1312 O GLY A 88 14.333 22.624 -2.374 1.00 0.00 O ATOM 0 H GLY A 88 14.088 20.232 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.540 21.226 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.675 20.558 -2.380 1.00 0.00 H new TER 1316 GLY A 88