USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 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 23 GLN : amide:sc= -1.42! C(o=-8.2!,f=-10!) USER MOD Set 1.2: A 33 HIS : no HD1:sc= -6.74! C(o=-8.2!,f=-8.1!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -1.23 K(o=-2.4,f=-3.9!) USER MOD Set 2.2: A 67 ASN : amide:sc= -1.19 K(o=-2.4,f=-0.86) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0.985 (180deg=0.956) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 8 ASN : amide:sc= -0.03 K(o=-0.03,f=-3.3!) USER MOD Single : A 9 TYR OH : rot 20:sc= 1.29 USER MOD Single : A -1 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.22) USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ -146:sc= 0.00867 (180deg=-0.081) USER MOD Single : A -3 THR OG1 : rot 180:sc= 0.00962 USER MOD Single : A 12 ASN : amide:sc= -4.92! C(o=-4.9!,f=-8.5!) USER MOD Single : A 16 THR OG1 : rot 143:sc= 1.1 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.0097) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 28 GLN : amide:sc= 0.637 K(o=0.64,f=-0.58) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.3 X(o=-1.3,f=-1.7) USER MOD Single : A 32 THR OG1 : rot 55:sc= 0.104 USER MOD Single : A 34 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.055) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.129 X(o=0.13,f=-0.26) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.55) USER MOD Single : A 49 ASN : amide:sc= 0.0422 K(o=0.042,f=-6.4!) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00696 USER MOD Single : A 53 ASN : amide:sc= 2.81 K(o=2.8,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot -76:sc= -0.941! USER MOD Single : A 66 THR OG1 : rot 130:sc= -2.12! USER MOD Single : A 68 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00465) USER MOD Single : A 79 SER OG : rot 1:sc= 0.949 USER MOD Single : A 82 SER OG : rot -9:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 14.580 22.944 -27.357 1.00 0.00 N ATOM 2 CA THR A -3 13.319 23.616 -26.992 1.00 0.00 C ATOM 3 C THR A -3 13.587 25.020 -26.463 1.00 0.00 C ATOM 4 O THR A -3 14.551 25.246 -25.728 1.00 0.00 O ATOM 5 CB THR A -3 12.533 22.807 -25.934 1.00 0.00 C ATOM 6 OG1 THR A -3 13.362 22.505 -24.799 1.00 0.00 O ATOM 7 CG2 THR A -3 11.990 21.514 -26.526 1.00 0.00 C ATOM 0 H1 THR A -3 14.419 22.325 -28.177 1.00 0.00 H new ATOM 0 H2 THR A -3 15.297 23.658 -27.597 1.00 0.00 H new ATOM 0 H3 THR A -3 14.915 22.374 -26.554 1.00 0.00 H new ATOM 0 HA THR A -3 12.715 23.683 -27.897 1.00 0.00 H new ATOM 0 HB THR A -3 11.696 23.424 -25.608 1.00 0.00 H new ATOM 0 HG1 THR A -3 12.844 21.995 -24.142 1.00 0.00 H new ATOM 0 HG21 THR A -3 11.442 20.965 -25.760 1.00 0.00 H new ATOM 0 HG22 THR A -3 11.321 21.746 -27.355 1.00 0.00 H new ATOM 0 HG23 THR A -3 12.818 20.904 -26.887 1.00 0.00 H new ATOM 17 N TYR A -2 12.739 25.963 -26.840 1.00 0.00 N ATOM 18 CA TYR A -2 12.865 27.335 -26.372 1.00 0.00 C ATOM 19 C TYR A -2 11.932 27.563 -25.198 1.00 0.00 C ATOM 20 O TYR A -2 11.913 28.636 -24.595 1.00 0.00 O ATOM 21 CB TYR A -2 12.572 28.321 -27.503 1.00 0.00 C ATOM 22 CG TYR A -2 13.542 28.193 -28.651 1.00 0.00 C ATOM 23 CD1 TYR A -2 14.804 28.768 -28.581 1.00 0.00 C ATOM 24 CD2 TYR A -2 13.207 27.478 -29.794 1.00 0.00 C ATOM 25 CE1 TYR A -2 15.704 28.639 -29.619 1.00 0.00 C ATOM 26 CE2 TYR A -2 14.103 27.342 -30.836 1.00 0.00 C ATOM 27 CZ TYR A -2 15.349 27.925 -30.743 1.00 0.00 C ATOM 28 OH TYR A -2 16.247 27.791 -31.776 1.00 0.00 O ATOM 0 H TYR A -2 11.953 25.803 -27.471 1.00 0.00 H new ATOM 0 HA TYR A -2 13.890 27.504 -26.042 1.00 0.00 H new ATOM 0 HB2 TYR A -2 11.558 28.157 -27.869 1.00 0.00 H new ATOM 0 HB3 TYR A -2 12.610 29.338 -27.112 1.00 0.00 H new ATOM 0 HD1 TYR A -2 15.086 29.325 -27.700 1.00 0.00 H new ATOM 0 HD2 TYR A -2 12.231 27.022 -29.869 1.00 0.00 H new ATOM 0 HE1 TYR A -2 16.681 29.095 -29.551 1.00 0.00 H new ATOM 0 HE2 TYR A -2 13.829 26.782 -31.718 1.00 0.00 H new ATOM 0 HH TYR A -2 15.844 27.259 -32.493 1.00 0.00 H new ATOM 38 N GLN A -1 11.147 26.542 -24.890 1.00 0.00 N ATOM 39 CA GLN A -1 10.321 26.546 -23.695 1.00 0.00 C ATOM 40 C GLN A -1 11.194 26.206 -22.492 1.00 0.00 C ATOM 41 O GLN A -1 12.318 25.730 -22.655 1.00 0.00 O ATOM 42 CB GLN A -1 9.195 25.521 -23.833 1.00 0.00 C ATOM 43 CG GLN A -1 8.382 25.683 -25.109 1.00 0.00 C ATOM 44 CD GLN A -1 7.918 24.361 -25.692 1.00 0.00 C ATOM 45 OE1 GLN A -1 6.850 24.275 -26.295 1.00 0.00 O ATOM 46 NE2 GLN A -1 8.728 23.326 -25.540 1.00 0.00 N ATOM 0 H GLN A -1 11.065 25.697 -25.455 1.00 0.00 H new ATOM 0 HA GLN A -1 9.876 27.532 -23.559 1.00 0.00 H new ATOM 0 HB2 GLN A -1 9.622 24.518 -23.808 1.00 0.00 H new ATOM 0 HB3 GLN A -1 8.529 25.606 -22.974 1.00 0.00 H new ATOM 0 HG2 GLN A -1 7.513 26.307 -24.902 1.00 0.00 H new ATOM 0 HG3 GLN A -1 8.983 26.209 -25.851 1.00 0.00 H new ATOM 0 HE21 GLN A -1 9.606 23.436 -25.033 1.00 0.00 H new ATOM 0 HE22 GLN A -1 8.474 22.418 -25.930 1.00 0.00 H new ATOM 55 N CYS A 1 10.689 26.424 -21.294 1.00 0.00 N ATOM 56 CA CYS A 1 11.506 26.225 -20.110 1.00 0.00 C ATOM 57 C CYS A 1 10.658 25.818 -18.919 1.00 0.00 C ATOM 58 O CYS A 1 9.431 25.795 -18.996 1.00 0.00 O ATOM 59 CB CYS A 1 12.319 27.489 -19.807 1.00 0.00 C ATOM 60 SG CYS A 1 11.332 29.008 -19.582 1.00 0.00 S ATOM 0 H CYS A 1 9.734 26.734 -21.114 1.00 0.00 H new ATOM 0 HA CYS A 1 12.202 25.409 -20.307 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.905 27.318 -18.904 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.027 27.651 -20.620 1.00 0.00 H new ATOM 65 N LEU A 2 11.312 25.450 -17.831 1.00 0.00 N ATOM 66 CA LEU A 2 10.605 25.007 -16.637 1.00 0.00 C ATOM 67 C LEU A 2 10.084 26.187 -15.812 1.00 0.00 C ATOM 68 O LEU A 2 10.452 27.335 -16.044 1.00 0.00 O ATOM 69 CB LEU A 2 11.529 24.123 -15.800 1.00 0.00 C ATOM 70 CG LEU A 2 10.883 23.417 -14.612 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.619 22.703 -15.053 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.862 22.434 -13.985 1.00 0.00 C ATOM 0 H LEU A 2 12.329 25.448 -17.747 1.00 0.00 H new ATOM 0 HA LEU A 2 9.734 24.430 -16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.966 23.367 -16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.350 24.737 -15.430 1.00 0.00 H new ATOM 0 HG LEU A 2 10.617 24.162 -13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.166 22.203 -14.197 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.916 23.428 -15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.866 21.965 -15.816 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.387 21.938 -13.139 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.154 21.689 -14.725 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.747 22.970 -13.642 1.00 0.00 H new ATOM 84 N LYS A 3 9.218 25.882 -14.854 1.00 0.00 N ATOM 85 CA LYS A 3 8.620 26.883 -13.979 1.00 0.00 C ATOM 86 C LYS A 3 8.808 26.461 -12.522 1.00 0.00 C ATOM 87 O LYS A 3 7.858 26.438 -11.732 1.00 0.00 O ATOM 88 CB LYS A 3 7.125 27.031 -14.297 1.00 0.00 C ATOM 89 CG LYS A 3 6.363 25.731 -14.115 1.00 0.00 C ATOM 90 CD LYS A 3 4.865 25.866 -14.320 1.00 0.00 C ATOM 91 CE LYS A 3 4.243 26.880 -13.370 1.00 0.00 C ATOM 92 NZ LYS A 3 2.757 26.858 -13.443 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.909 24.929 -14.661 1.00 0.00 H new ATOM 0 HA LYS A 3 9.108 27.844 -14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.693 27.796 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.007 27.377 -15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.751 24.992 -14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.550 25.348 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.667 26.166 -15.349 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.391 24.895 -14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.561 26.666 -12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.605 27.879 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.369 27.617 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.456 27.002 -14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.406 25.939 -13.105 1.00 0.00 H new ATOM 106 N GLY A 4 10.035 26.107 -12.176 1.00 0.00 N ATOM 107 CA GLY A 4 10.320 25.621 -10.840 1.00 0.00 C ATOM 108 C GLY A 4 9.849 24.194 -10.645 1.00 0.00 C ATOM 109 O GLY A 4 10.550 23.248 -11.002 1.00 0.00 O ATOM 0 H GLY A 4 10.843 26.147 -12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.393 25.678 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.835 26.267 -10.108 1.00 0.00 H new ATOM 113 N THR A 5 8.652 24.038 -10.098 1.00 0.00 N ATOM 114 CA THR A 5 8.062 22.720 -9.899 1.00 0.00 C ATOM 115 C THR A 5 7.468 22.187 -11.197 1.00 0.00 C ATOM 116 O THR A 5 7.346 20.977 -11.367 1.00 0.00 O ATOM 117 CB THR A 5 6.971 22.758 -8.813 1.00 0.00 C ATOM 118 OG1 THR A 5 6.142 23.914 -8.993 1.00 0.00 O ATOM 119 CG2 THR A 5 7.585 22.774 -7.425 1.00 0.00 C ATOM 0 H THR A 5 8.067 24.812 -9.782 1.00 0.00 H new ATOM 0 HA THR A 5 8.860 22.053 -9.573 1.00 0.00 H new ATOM 0 HB THR A 5 6.363 21.858 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.449 23.931 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.793 22.801 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.188 21.877 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.216 23.656 -7.317 1.00 0.00 H new ATOM 127 N GLY A 6 7.116 23.101 -12.103 1.00 0.00 N ATOM 128 CA GLY A 6 6.626 22.728 -13.425 1.00 0.00 C ATOM 129 C GLY A 6 5.557 21.662 -13.414 1.00 0.00 C ATOM 130 O GLY A 6 5.825 20.509 -13.745 1.00 0.00 O ATOM 0 H GLY A 6 7.163 24.107 -11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.231 23.617 -13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.466 22.378 -14.025 1.00 0.00 H new ATOM 134 N GLU A 7 4.337 22.043 -13.082 1.00 0.00 N ATOM 135 CA GLU A 7 3.254 21.076 -13.029 1.00 0.00 C ATOM 136 C GLU A 7 2.634 20.964 -14.402 1.00 0.00 C ATOM 137 O GLU A 7 2.470 19.872 -14.949 1.00 0.00 O ATOM 138 CB GLU A 7 2.189 21.471 -12.012 1.00 0.00 C ATOM 139 CG GLU A 7 2.675 22.466 -10.987 1.00 0.00 C ATOM 140 CD GLU A 7 2.400 23.886 -11.418 1.00 0.00 C ATOM 141 OE1 GLU A 7 2.979 24.319 -12.435 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.573 24.559 -10.769 1.00 0.00 O1- ATOM 0 H GLU A 7 4.073 23.000 -12.848 1.00 0.00 H new ATOM 0 HA GLU A 7 3.664 20.116 -12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.333 21.893 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.838 20.576 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.186 22.274 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.745 22.334 -10.829 1.00 0.00 H new ATOM 149 N ASN A 8 2.313 22.118 -14.960 1.00 0.00 N ATOM 150 CA ASN A 8 1.728 22.192 -16.280 1.00 0.00 C ATOM 151 C ASN A 8 2.400 23.290 -17.097 1.00 0.00 C ATOM 152 O ASN A 8 1.771 23.878 -17.974 1.00 0.00 O ATOM 153 CB ASN A 8 0.217 22.434 -16.179 1.00 0.00 C ATOM 154 CG ASN A 8 -0.141 23.813 -15.639 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.607 24.412 -14.857 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.297 24.319 -16.035 1.00 0.00 N ATOM 0 H ASN A 8 2.451 23.023 -14.511 1.00 0.00 H new ATOM 0 HA ASN A 8 1.889 21.242 -16.789 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.230 22.311 -17.166 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.223 21.674 -15.533 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.597 25.232 -15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.888 23.796 -16.681 1.00 0.00 H new ATOM 163 N TYR A 9 3.686 23.549 -16.788 1.00 0.00 N ATOM 164 CA TYR A 9 4.507 24.530 -17.516 1.00 0.00 C ATOM 165 C TYR A 9 4.167 24.574 -19.012 1.00 0.00 C ATOM 166 O TYR A 9 3.451 25.465 -19.462 1.00 0.00 O ATOM 167 CB TYR A 9 6.015 24.250 -17.293 1.00 0.00 C ATOM 168 CG TYR A 9 6.480 22.826 -17.591 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.887 21.732 -16.969 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.520 22.580 -18.488 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.305 20.444 -17.232 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.941 21.289 -18.752 1.00 0.00 C ATOM 173 CZ TYR A 9 7.330 20.230 -18.125 1.00 0.00 C ATOM 174 OH TYR A 9 7.754 18.953 -18.391 1.00 0.00 O ATOM 0 H TYR A 9 4.182 23.084 -16.028 1.00 0.00 H new ATOM 0 HA TYR A 9 4.274 25.515 -17.111 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.588 24.937 -17.916 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.258 24.482 -16.256 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.083 21.894 -16.266 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.003 23.409 -18.983 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.830 19.608 -16.740 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.747 21.114 -19.449 1.00 0.00 H new ATOM 0 HH TYR A 9 7.056 18.316 -18.132 1.00 0.00 H new ATOM 184 N ARG A 10 4.694 23.639 -19.785 1.00 0.00 N ATOM 185 CA ARG A 10 4.265 23.472 -21.159 1.00 0.00 C ATOM 186 C ARG A 10 3.768 22.050 -21.365 1.00 0.00 C ATOM 187 O ARG A 10 2.582 21.816 -21.573 1.00 0.00 O ATOM 188 CB ARG A 10 5.403 23.784 -22.139 1.00 0.00 C ATOM 189 CG ARG A 10 5.933 25.201 -22.028 1.00 0.00 C ATOM 190 CD ARG A 10 7.019 25.298 -20.977 1.00 0.00 C ATOM 191 NE ARG A 10 6.924 26.529 -20.184 1.00 0.00 N ATOM 192 CZ ARG A 10 7.486 27.695 -20.523 1.00 0.00 C ATOM 193 NH1 ARG A 10 8.013 27.862 -21.729 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.464 28.713 -19.674 1.00 0.00 N ATOM 0 H ARG A 10 5.418 22.987 -19.483 1.00 0.00 H new ATOM 0 HA ARG A 10 3.455 24.174 -21.357 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.221 23.085 -21.966 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.050 23.616 -23.157 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.327 25.521 -22.993 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.117 25.879 -21.776 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.956 24.436 -20.313 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.994 25.256 -21.462 1.00 0.00 H new ATOM 0 HE ARG A 10 6.393 26.493 -19.314 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.991 27.099 -22.405 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.440 28.754 -21.980 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.019 28.607 -18.762 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.892 29.602 -19.932 1.00 0.00 H new ATOM 208 N GLY A 11 4.678 21.097 -21.236 1.00 0.00 N ATOM 209 CA GLY A 11 4.343 19.716 -21.507 1.00 0.00 C ATOM 210 C GLY A 11 5.057 19.233 -22.744 1.00 0.00 C ATOM 211 O GLY A 11 4.438 18.751 -23.688 1.00 0.00 O ATOM 0 H GLY A 11 5.644 21.256 -20.948 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.619 19.095 -20.655 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.266 19.616 -21.639 1.00 0.00 H new ATOM 215 N ASN A 12 6.369 19.386 -22.738 1.00 0.00 N ATOM 216 CA ASN A 12 7.174 19.093 -23.913 1.00 0.00 C ATOM 217 C ASN A 12 7.946 17.789 -23.763 1.00 0.00 C ATOM 218 O ASN A 12 7.733 16.845 -24.525 1.00 0.00 O ATOM 219 CB ASN A 12 8.125 20.258 -24.206 1.00 0.00 C ATOM 220 CG ASN A 12 8.748 20.862 -22.953 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.754 20.378 -22.455 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.164 21.938 -22.444 1.00 0.00 N ATOM 0 H ASN A 12 6.902 19.712 -21.932 1.00 0.00 H new ATOM 0 HA ASN A 12 6.496 18.968 -24.758 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.920 19.911 -24.867 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.581 21.035 -24.743 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.553 22.385 -21.614 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.325 22.319 -22.882 1.00 0.00 H new ATOM 229 N VAL A 13 8.847 17.746 -22.796 1.00 0.00 N ATOM 230 CA VAL A 13 9.648 16.562 -22.534 1.00 0.00 C ATOM 231 C VAL A 13 8.786 15.378 -22.087 1.00 0.00 C ATOM 232 O VAL A 13 7.925 15.513 -21.214 1.00 0.00 O ATOM 233 CB VAL A 13 10.713 16.867 -21.465 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.478 15.616 -21.083 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.662 17.948 -21.956 1.00 0.00 C ATOM 0 H VAL A 13 9.044 18.529 -22.172 1.00 0.00 H new ATOM 0 HA VAL A 13 10.137 16.284 -23.468 1.00 0.00 H new ATOM 0 HB VAL A 13 10.203 17.231 -20.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.223 15.862 -20.327 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.786 14.874 -20.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.976 15.211 -21.964 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.409 18.152 -21.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.159 17.610 -22.866 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.100 18.858 -22.166 1.00 0.00 H new ATOM 245 N ALA A 14 9.021 14.229 -22.715 1.00 0.00 N ATOM 246 CA ALA A 14 8.316 12.994 -22.382 1.00 0.00 C ATOM 247 C ALA A 14 9.316 11.882 -22.049 1.00 0.00 C ATOM 248 O ALA A 14 9.052 10.693 -22.260 1.00 0.00 O ATOM 249 CB ALA A 14 7.420 12.581 -23.537 1.00 0.00 C ATOM 0 H ALA A 14 9.703 14.128 -23.467 1.00 0.00 H new ATOM 0 HA ALA A 14 7.694 13.167 -21.504 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.898 11.659 -23.281 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.692 13.368 -23.732 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.027 12.419 -24.428 1.00 0.00 H new ATOM 255 N VAL A 15 10.475 12.289 -21.547 1.00 0.00 N ATOM 256 CA VAL A 15 11.534 11.371 -21.147 1.00 0.00 C ATOM 257 C VAL A 15 12.152 11.886 -19.856 1.00 0.00 C ATOM 258 O VAL A 15 12.301 13.095 -19.684 1.00 0.00 O ATOM 259 CB VAL A 15 12.634 11.251 -22.233 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.732 10.293 -21.800 1.00 0.00 C ATOM 261 CG2 VAL A 15 12.046 10.803 -23.561 1.00 0.00 C ATOM 0 H VAL A 15 10.708 13.272 -21.405 1.00 0.00 H new ATOM 0 HA VAL A 15 11.101 10.380 -21.007 1.00 0.00 H new ATOM 0 HB VAL A 15 13.071 12.241 -22.363 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.489 10.230 -22.582 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.190 10.656 -20.880 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.305 9.305 -21.627 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.840 10.728 -24.304 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.570 9.830 -23.438 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.305 11.530 -23.895 1.00 0.00 H new ATOM 271 N THR A 16 12.507 10.980 -18.957 1.00 0.00 N ATOM 272 CA THR A 16 13.025 11.373 -17.653 1.00 0.00 C ATOM 273 C THR A 16 14.357 12.118 -17.783 1.00 0.00 C ATOM 274 O THR A 16 14.861 12.329 -18.887 1.00 0.00 O ATOM 275 CB THR A 16 13.209 10.159 -16.709 1.00 0.00 C ATOM 276 OG1 THR A 16 14.250 9.291 -17.185 1.00 0.00 O ATOM 277 CG2 THR A 16 11.919 9.365 -16.577 1.00 0.00 C ATOM 0 H THR A 16 12.447 9.972 -19.104 1.00 0.00 H new ATOM 0 HA THR A 16 12.281 12.040 -17.218 1.00 0.00 H new ATOM 0 HB THR A 16 13.487 10.551 -15.731 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.747 8.928 -16.423 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.079 8.519 -15.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.137 10.006 -16.170 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.615 9.000 -17.558 1.00 0.00 H new ATOM 285 N VAL A 17 14.926 12.527 -16.660 1.00 0.00 N ATOM 286 CA VAL A 17 16.229 13.177 -16.660 1.00 0.00 C ATOM 287 C VAL A 17 17.315 12.200 -17.132 1.00 0.00 C ATOM 288 O VAL A 17 18.397 12.602 -17.566 1.00 0.00 O ATOM 289 CB VAL A 17 16.558 13.749 -15.257 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.536 12.664 -14.193 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.887 14.482 -15.256 1.00 0.00 C ATOM 0 H VAL A 17 14.507 12.421 -15.736 1.00 0.00 H new ATOM 0 HA VAL A 17 16.200 14.013 -17.359 1.00 0.00 H new ATOM 0 HB VAL A 17 15.778 14.470 -15.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.771 13.101 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.546 12.210 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.276 11.901 -14.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.087 14.871 -14.258 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.682 13.794 -15.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.847 15.308 -15.966 1.00 0.00 H new ATOM 301 N SER A 18 16.997 10.916 -17.074 1.00 0.00 N ATOM 302 CA SER A 18 17.877 9.878 -17.569 1.00 0.00 C ATOM 303 C SER A 18 17.324 9.307 -18.878 1.00 0.00 C ATOM 304 O SER A 18 16.506 9.945 -19.539 1.00 0.00 O ATOM 305 CB SER A 18 18.026 8.793 -16.505 1.00 0.00 C ATOM 306 OG SER A 18 18.525 9.349 -15.300 1.00 0.00 O ATOM 0 H SER A 18 16.122 10.568 -16.682 1.00 0.00 H new ATOM 0 HA SER A 18 18.863 10.293 -17.777 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.062 8.319 -16.322 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.701 8.015 -16.861 1.00 0.00 H new ATOM 0 HG SER A 18 18.614 8.643 -14.626 1.00 0.00 H new ATOM 312 N GLY A 19 17.768 8.118 -19.260 1.00 0.00 N ATOM 313 CA GLY A 19 17.342 7.542 -20.523 1.00 0.00 C ATOM 314 C GLY A 19 16.098 6.676 -20.398 1.00 0.00 C ATOM 315 O GLY A 19 15.862 5.795 -21.228 1.00 0.00 O ATOM 0 H GLY A 19 18.414 7.542 -18.721 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.148 8.345 -21.234 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.154 6.942 -20.934 1.00 0.00 H new ATOM 319 N HIS A 20 15.300 6.916 -19.366 1.00 0.00 N ATOM 320 CA HIS A 20 14.096 6.125 -19.144 1.00 0.00 C ATOM 321 C HIS A 20 12.895 6.775 -19.825 1.00 0.00 C ATOM 322 O HIS A 20 12.603 7.949 -19.607 1.00 0.00 O ATOM 323 CB HIS A 20 13.825 5.932 -17.646 1.00 0.00 C ATOM 324 CG HIS A 20 14.894 5.160 -16.928 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.846 5.755 -16.130 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.163 3.835 -16.901 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.659 4.832 -15.653 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.265 3.660 -16.105 1.00 0.00 N ATOM 0 H HIS A 20 15.462 7.647 -18.673 1.00 0.00 H new ATOM 0 HA HIS A 20 14.257 5.141 -19.585 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.720 6.910 -17.177 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.873 5.416 -17.523 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.912 6.755 -15.938 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.612 3.059 -17.412 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.503 5.008 -15.003 1.00 0.00 H new ATOM 337 N THR A 21 12.224 6.004 -20.667 1.00 0.00 N ATOM 338 CA THR A 21 11.032 6.461 -21.365 1.00 0.00 C ATOM 339 C THR A 21 9.894 6.732 -20.383 1.00 0.00 C ATOM 340 O THR A 21 9.562 5.876 -19.559 1.00 0.00 O ATOM 341 CB THR A 21 10.588 5.405 -22.401 1.00 0.00 C ATOM 342 OG1 THR A 21 11.551 5.323 -23.462 1.00 0.00 O ATOM 343 CG2 THR A 21 9.209 5.714 -22.967 1.00 0.00 C ATOM 0 H THR A 21 12.490 5.044 -20.886 1.00 0.00 H new ATOM 0 HA THR A 21 11.274 7.392 -21.878 1.00 0.00 H new ATOM 0 HB THR A 21 10.527 4.444 -21.891 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.263 4.650 -24.114 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.933 4.948 -23.692 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.478 5.728 -22.158 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.227 6.688 -23.457 1.00 0.00 H new ATOM 351 N CYS A 22 9.331 7.937 -20.438 1.00 0.00 N ATOM 352 CA CYS A 22 8.174 8.256 -19.620 1.00 0.00 C ATOM 353 C CYS A 22 6.960 7.450 -20.068 1.00 0.00 C ATOM 354 O CYS A 22 6.470 7.610 -21.184 1.00 0.00 O ATOM 355 CB CYS A 22 7.848 9.749 -19.664 1.00 0.00 C ATOM 356 SG CYS A 22 8.994 10.801 -18.717 1.00 0.00 S ATOM 0 H CYS A 22 9.656 8.698 -21.035 1.00 0.00 H new ATOM 0 HA CYS A 22 8.421 7.991 -18.592 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.848 10.077 -20.703 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.838 9.899 -19.282 1.00 0.00 H new ATOM 361 N GLN A 23 6.518 6.553 -19.210 1.00 0.00 N ATOM 362 CA GLN A 23 5.267 5.840 -19.394 1.00 0.00 C ATOM 363 C GLN A 23 4.074 6.803 -19.288 1.00 0.00 C ATOM 364 O GLN A 23 4.089 7.738 -18.482 1.00 0.00 O ATOM 365 CB GLN A 23 5.173 4.751 -18.328 1.00 0.00 C ATOM 366 CG GLN A 23 3.800 4.142 -18.187 1.00 0.00 C ATOM 367 CD GLN A 23 3.376 4.076 -16.743 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.621 3.097 -16.046 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.762 5.142 -16.277 1.00 0.00 N ATOM 0 H GLN A 23 7.019 6.296 -18.360 1.00 0.00 H new ATOM 0 HA GLN A 23 5.240 5.391 -20.387 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.886 3.962 -18.567 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.472 5.171 -17.368 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.079 4.731 -18.753 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.799 3.139 -18.615 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.578 5.934 -16.892 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.470 5.176 -15.300 1.00 0.00 H new ATOM 378 N HIS A 24 3.042 6.550 -20.092 1.00 0.00 N ATOM 379 CA HIS A 24 1.871 7.430 -20.171 1.00 0.00 C ATOM 380 C HIS A 24 1.111 7.475 -18.848 1.00 0.00 C ATOM 381 O HIS A 24 1.033 6.481 -18.124 1.00 0.00 O ATOM 382 CB HIS A 24 0.922 6.962 -21.278 1.00 0.00 C ATOM 383 CG HIS A 24 1.548 6.913 -22.637 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.035 5.757 -23.196 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.770 7.889 -23.547 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.529 6.019 -24.388 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.383 7.308 -24.629 1.00 0.00 N ATOM 0 H HIS A 24 2.991 5.736 -20.704 1.00 0.00 H new ATOM 0 HA HIS A 24 2.236 8.432 -20.397 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.548 5.970 -21.026 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.061 7.629 -21.310 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.512 8.933 -23.442 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.978 5.299 -25.056 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.677 7.792 -25.478 1.00 0.00 H new ATOM 396 N TRP A 25 0.554 8.644 -18.541 1.00 0.00 N ATOM 397 CA TRP A 25 -0.228 8.840 -17.323 1.00 0.00 C ATOM 398 C TRP A 25 -1.521 8.035 -17.359 1.00 0.00 C ATOM 399 O TRP A 25 -2.041 7.641 -16.321 1.00 0.00 O ATOM 400 CB TRP A 25 -0.555 10.321 -17.115 1.00 0.00 C ATOM 401 CG TRP A 25 0.652 11.195 -17.043 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.074 12.086 -17.985 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.600 11.262 -15.975 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.218 12.709 -17.562 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.565 12.215 -16.334 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.721 10.608 -14.748 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.641 12.530 -15.509 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.787 10.917 -13.932 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.736 11.870 -14.314 1.00 0.00 C ATOM 0 H TRP A 25 0.631 9.477 -19.125 1.00 0.00 H new ATOM 0 HA TRP A 25 0.380 8.488 -16.490 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.192 10.662 -17.931 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.129 10.432 -16.195 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.579 12.273 -18.926 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.729 13.425 -18.079 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.991 9.872 -14.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.374 13.268 -15.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.891 10.415 -12.982 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.561 12.090 -13.652 1.00 0.00 H new ATOM 420 N SER A 26 -2.039 7.803 -18.556 1.00 0.00 N ATOM 421 CA SER A 26 -3.270 7.046 -18.721 1.00 0.00 C ATOM 422 C SER A 26 -2.997 5.545 -18.645 1.00 0.00 C ATOM 423 O SER A 26 -3.920 4.730 -18.633 1.00 0.00 O ATOM 424 CB SER A 26 -3.911 7.402 -20.061 1.00 0.00 C ATOM 425 OG SER A 26 -2.978 7.262 -21.123 1.00 0.00 O ATOM 0 H SER A 26 -1.624 8.129 -19.429 1.00 0.00 H new ATOM 0 HA SER A 26 -3.955 7.305 -17.913 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.771 6.757 -20.240 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.282 8.426 -20.030 1.00 0.00 H new ATOM 0 HG SER A 26 -3.411 7.493 -21.971 1.00 0.00 H new ATOM 431 N ALA A 27 -1.722 5.190 -18.592 1.00 0.00 N ATOM 432 CA ALA A 27 -1.315 3.800 -18.570 1.00 0.00 C ATOM 433 C ALA A 27 -0.972 3.357 -17.161 1.00 0.00 C ATOM 434 O ALA A 27 -0.090 3.925 -16.522 1.00 0.00 O ATOM 435 CB ALA A 27 -0.116 3.595 -19.480 1.00 0.00 C ATOM 0 H ALA A 27 -0.948 5.854 -18.563 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.149 3.196 -18.928 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.183 2.547 -19.457 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.381 3.875 -20.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.711 4.216 -19.137 1.00 0.00 H new ATOM 441 N GLN A 28 -1.679 2.354 -16.673 1.00 0.00 N ATOM 442 CA GLN A 28 -1.347 1.737 -15.396 1.00 0.00 C ATOM 443 C GLN A 28 -0.365 0.590 -15.613 1.00 0.00 C ATOM 444 O GLN A 28 -0.134 -0.237 -14.730 1.00 0.00 O ATOM 445 CB GLN A 28 -2.609 1.245 -14.690 1.00 0.00 C ATOM 446 CG GLN A 28 -3.523 2.366 -14.217 1.00 0.00 C ATOM 447 CD GLN A 28 -2.973 3.055 -13.001 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.268 2.678 -11.868 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.140 4.052 -13.228 1.00 0.00 N ATOM 0 H GLN A 28 -2.489 1.947 -17.141 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.876 2.484 -14.757 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.165 0.597 -15.368 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.321 0.637 -13.832 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.653 3.092 -15.019 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.509 1.961 -13.991 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.925 4.329 -14.186 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.710 4.546 -12.446 1.00 0.00 H new ATOM 458 N THR A 29 0.184 0.553 -16.813 1.00 0.00 N ATOM 459 CA THR A 29 1.234 -0.375 -17.182 1.00 0.00 C ATOM 460 C THR A 29 2.308 0.410 -17.925 1.00 0.00 C ATOM 461 O THR A 29 1.975 1.236 -18.778 1.00 0.00 O ATOM 462 CB THR A 29 0.685 -1.496 -18.094 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.368 -2.202 -17.425 1.00 0.00 O ATOM 464 CG2 THR A 29 1.776 -2.478 -18.496 1.00 0.00 C ATOM 0 H THR A 29 -0.093 1.178 -17.570 1.00 0.00 H new ATOM 0 HA THR A 29 1.642 -0.843 -16.286 1.00 0.00 H new ATOM 0 HB THR A 29 0.300 -1.025 -18.998 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.711 -2.909 -18.010 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.352 -3.251 -19.137 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.561 -1.949 -19.037 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.198 -2.938 -17.603 1.00 0.00 H new ATOM 472 N PRO A 30 3.604 0.194 -17.640 1.00 0.00 N ATOM 473 CA PRO A 30 4.093 -0.787 -16.651 1.00 0.00 C ATOM 474 C PRO A 30 3.694 -0.508 -15.190 1.00 0.00 C ATOM 475 O PRO A 30 3.296 -1.424 -14.468 1.00 0.00 O ATOM 476 CB PRO A 30 5.621 -0.704 -16.791 1.00 0.00 C ATOM 477 CG PRO A 30 5.892 0.602 -17.465 1.00 0.00 C ATOM 478 CD PRO A 30 4.707 0.876 -18.331 1.00 0.00 C ATOM 0 HA PRO A 30 3.654 -1.764 -16.855 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.107 -0.751 -15.816 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.007 -1.536 -17.380 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.031 1.397 -16.732 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.805 0.552 -18.058 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.519 1.946 -18.426 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.849 0.487 -19.339 1.00 0.00 H new ATOM 486 N HIS A 31 3.806 0.739 -14.752 1.00 0.00 N ATOM 487 CA HIS A 31 3.654 1.061 -13.331 1.00 0.00 C ATOM 488 C HIS A 31 2.212 1.410 -12.950 1.00 0.00 C ATOM 489 O HIS A 31 1.582 2.266 -13.571 1.00 0.00 O ATOM 490 CB HIS A 31 4.604 2.193 -12.934 1.00 0.00 C ATOM 491 CG HIS A 31 6.028 1.749 -12.773 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.995 1.926 -13.742 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.650 1.131 -11.737 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.142 1.439 -13.308 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.960 0.952 -12.099 1.00 0.00 N ATOM 0 H HIS A 31 4.000 1.541 -15.351 1.00 0.00 H new ATOM 0 HA HIS A 31 3.915 0.161 -12.775 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.559 2.977 -13.690 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.261 2.633 -11.998 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.846 2.364 -14.651 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.197 0.835 -10.802 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.074 1.440 -13.854 1.00 0.00 H new ATOM 504 N THR A 32 1.708 0.750 -11.906 1.00 0.00 N ATOM 505 CA THR A 32 0.355 0.977 -11.401 1.00 0.00 C ATOM 506 C THR A 32 0.296 2.220 -10.505 1.00 0.00 C ATOM 507 O THR A 32 0.191 2.136 -9.283 1.00 0.00 O ATOM 508 CB THR A 32 -0.139 -0.253 -10.620 1.00 0.00 C ATOM 509 OG1 THR A 32 0.848 -0.661 -9.657 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.427 -1.403 -11.565 1.00 0.00 C ATOM 0 H THR A 32 2.228 0.042 -11.387 1.00 0.00 H new ATOM 0 HA THR A 32 -0.296 1.143 -12.260 1.00 0.00 H new ATOM 0 HB THR A 32 -1.058 0.020 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.071 0.096 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.775 -2.264 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.196 -1.105 -12.278 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.483 -1.668 -12.103 1.00 0.00 H new ATOM 518 N HIS A 33 0.358 3.375 -11.139 1.00 0.00 N ATOM 519 CA HIS A 33 0.485 4.650 -10.430 1.00 0.00 C ATOM 520 C HIS A 33 -0.866 5.306 -10.163 1.00 0.00 C ATOM 521 O HIS A 33 -1.763 5.236 -10.984 1.00 0.00 O ATOM 522 CB HIS A 33 1.361 5.602 -11.235 1.00 0.00 C ATOM 523 CG HIS A 33 0.869 5.840 -12.628 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.149 6.951 -12.994 1.00 0.00 N ATOM 525 CD2 HIS A 33 1.001 5.099 -13.747 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.139 6.881 -14.274 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.367 5.769 -14.756 1.00 0.00 N ATOM 0 H HIS A 33 0.323 3.465 -12.154 1.00 0.00 H new ATOM 0 HA HIS A 33 0.943 4.438 -9.464 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.421 6.557 -10.712 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.373 5.200 -11.280 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.513 4.152 -13.831 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.698 7.615 -14.836 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.298 5.456 -15.725 1.00 0.00 H new ATOM 536 N ASN A 34 -0.987 5.993 -9.035 1.00 0.00 N ATOM 537 CA ASN A 34 -2.222 6.719 -8.716 1.00 0.00 C ATOM 538 C ASN A 34 -2.250 8.089 -9.383 1.00 0.00 C ATOM 539 O ASN A 34 -3.229 8.811 -9.278 1.00 0.00 O ATOM 540 CB ASN A 34 -2.394 6.914 -7.213 1.00 0.00 C ATOM 541 CG ASN A 34 -2.714 5.640 -6.450 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.329 5.689 -5.387 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.317 4.495 -6.981 1.00 0.00 N ATOM 0 H ASN A 34 -0.256 6.067 -8.328 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.040 6.107 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.479 7.346 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.192 7.637 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.519 3.615 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.808 4.492 -7.865 1.00 0.00 H new ATOM 550 N ARG A 36 -1.171 8.468 -10.052 1.00 0.00 N ATOM 551 CA ARG A 36 -1.144 9.759 -10.732 1.00 0.00 C ATOM 552 C ARG A 36 -1.596 9.610 -12.177 1.00 0.00 C ATOM 553 O ARG A 36 -0.776 9.530 -13.086 1.00 0.00 O ATOM 554 CB ARG A 36 0.245 10.422 -10.675 1.00 0.00 C ATOM 555 CG ARG A 36 0.679 10.869 -9.279 1.00 0.00 C ATOM 556 CD ARG A 36 1.165 9.700 -8.440 1.00 0.00 C ATOM 557 NE ARG A 36 1.352 10.050 -7.034 1.00 0.00 N ATOM 558 CZ ARG A 36 1.649 9.169 -6.075 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.760 7.876 -6.357 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.838 9.587 -4.833 1.00 0.00 N ATOM 0 H ARG A 36 -0.318 7.915 -10.140 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.838 10.412 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.984 9.721 -11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.247 11.288 -11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.474 11.610 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.157 11.355 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.447 8.883 -8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.108 9.334 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 36 1.249 11.029 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.618 7.548 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.987 7.211 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.757 10.579 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.065 8.917 -4.098 1.00 0.00 H new ATOM 574 N THR A 37 -2.904 9.559 -12.367 1.00 0.00 N ATOM 575 CA THR A 37 -3.503 9.409 -13.682 1.00 0.00 C ATOM 576 C THR A 37 -4.360 10.637 -13.970 1.00 0.00 C ATOM 577 O THR A 37 -4.756 11.340 -13.042 1.00 0.00 O ATOM 578 CB THR A 37 -4.381 8.136 -13.747 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.385 8.193 -12.727 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.536 6.883 -13.559 1.00 0.00 C ATOM 0 H THR A 37 -3.584 9.621 -11.609 1.00 0.00 H new ATOM 0 HA THR A 37 -2.712 9.314 -14.426 1.00 0.00 H new ATOM 0 HB THR A 37 -4.852 8.092 -14.729 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.941 7.387 -12.770 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.176 6.002 -13.609 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.784 6.830 -14.346 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.043 6.919 -12.588 1.00 0.00 H new ATOM 588 N PRO A 38 -4.634 10.936 -15.248 1.00 0.00 N ATOM 589 CA PRO A 38 -5.448 12.095 -15.624 1.00 0.00 C ATOM 590 C PRO A 38 -6.879 11.998 -15.098 1.00 0.00 C ATOM 591 O PRO A 38 -7.629 12.968 -15.142 1.00 0.00 O ATOM 592 CB PRO A 38 -5.426 12.099 -17.156 1.00 0.00 C ATOM 593 CG PRO A 38 -4.908 10.763 -17.572 1.00 0.00 C ATOM 594 CD PRO A 38 -4.145 10.194 -16.415 1.00 0.00 C ATOM 0 HA PRO A 38 -5.052 13.015 -15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.424 12.271 -17.559 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.788 12.898 -17.533 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.730 10.103 -17.851 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.264 10.857 -18.446 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.326 9.124 -16.309 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.071 10.324 -16.546 1.00 0.00 H new ATOM 602 N GLU A 39 -7.245 10.822 -14.600 1.00 0.00 N ATOM 603 CA GLU A 39 -8.541 10.625 -13.962 1.00 0.00 C ATOM 604 C GLU A 39 -8.449 10.918 -12.467 1.00 0.00 C ATOM 605 O GLU A 39 -9.458 11.164 -11.809 1.00 0.00 O ATOM 606 CB GLU A 39 -9.027 9.193 -14.180 1.00 0.00 C ATOM 607 CG GLU A 39 -9.170 8.810 -15.641 1.00 0.00 C ATOM 608 CD GLU A 39 -9.599 7.369 -15.822 1.00 0.00 C ATOM 609 OE1 GLU A 39 -8.798 6.466 -15.508 1.00 0.00 O ATOM 610 OE2 GLU A 39 -10.737 7.134 -16.286 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.659 9.987 -14.626 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.254 11.315 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.330 8.506 -13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.990 9.067 -13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.900 9.466 -16.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.220 8.970 -16.150 1.00 0.00 H new ATOM 617 N ASN A 40 -7.230 10.893 -11.945 1.00 0.00 N ATOM 618 CA ASN A 40 -6.981 11.138 -10.526 1.00 0.00 C ATOM 619 C ASN A 40 -6.523 12.564 -10.293 1.00 0.00 C ATOM 620 O ASN A 40 -6.798 13.161 -9.253 1.00 0.00 O ATOM 621 CB ASN A 40 -5.919 10.172 -9.991 1.00 0.00 C ATOM 622 CG ASN A 40 -6.500 8.881 -9.445 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.546 8.415 -9.891 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.821 8.293 -8.468 1.00 0.00 N ATOM 0 H ASN A 40 -6.388 10.703 -12.488 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.918 10.976 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.217 9.936 -10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.351 10.668 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.164 7.423 -8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.956 8.711 -8.125 1.00 0.00 H new ATOM 631 N PHE A 41 -5.823 13.105 -11.273 1.00 0.00 N ATOM 632 CA PHE A 41 -5.308 14.461 -11.196 1.00 0.00 C ATOM 633 C PHE A 41 -5.638 15.222 -12.475 1.00 0.00 C ATOM 634 O PHE A 41 -4.738 15.621 -13.217 1.00 0.00 O ATOM 635 CB PHE A 41 -3.790 14.452 -10.987 1.00 0.00 C ATOM 636 CG PHE A 41 -3.344 13.867 -9.677 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.151 12.504 -9.543 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.108 14.684 -8.586 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.733 11.965 -8.341 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.690 14.152 -7.381 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.500 12.789 -7.258 1.00 0.00 C ATOM 0 H PHE A 41 -5.596 12.620 -12.141 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.780 14.956 -10.347 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.328 13.889 -11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.420 15.475 -11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.329 11.854 -10.387 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.252 15.750 -8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.589 10.899 -8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.512 14.801 -6.536 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.171 12.370 -6.319 1.00 0.00 H new ATOM 651 N PRO A 42 -6.932 15.442 -12.754 1.00 0.00 N ATOM 652 CA PRO A 42 -7.361 16.118 -13.977 1.00 0.00 C ATOM 653 C PRO A 42 -6.891 17.569 -14.004 1.00 0.00 C ATOM 654 O PRO A 42 -6.615 18.135 -15.059 1.00 0.00 O ATOM 655 CB PRO A 42 -8.895 16.052 -13.924 1.00 0.00 C ATOM 656 CG PRO A 42 -9.213 15.024 -12.893 1.00 0.00 C ATOM 657 CD PRO A 42 -8.080 15.065 -11.911 1.00 0.00 C ATOM 0 HA PRO A 42 -6.946 15.651 -14.870 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.321 17.020 -13.658 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.310 15.777 -14.894 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.162 15.242 -12.404 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.305 14.035 -13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.257 15.793 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.928 14.100 -11.428 1.00 0.00 H new ATOM 665 N SER A 43 -6.761 18.152 -12.823 1.00 0.00 N ATOM 666 CA SER A 43 -6.371 19.546 -12.693 1.00 0.00 C ATOM 667 C SER A 43 -4.859 19.722 -12.852 1.00 0.00 C ATOM 668 O SER A 43 -4.357 20.845 -12.883 1.00 0.00 O ATOM 669 CB SER A 43 -6.823 20.065 -11.330 1.00 0.00 C ATOM 670 OG SER A 43 -6.362 19.214 -10.291 1.00 0.00 O ATOM 0 H SER A 43 -6.921 17.677 -11.935 1.00 0.00 H new ATOM 0 HA SER A 43 -6.852 20.118 -13.487 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.443 21.075 -11.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.911 20.126 -11.301 1.00 0.00 H new ATOM 0 HG SER A 43 -6.660 19.564 -9.425 1.00 0.00 H new ATOM 676 N LYS A 44 -4.139 18.612 -12.985 1.00 0.00 N ATOM 677 CA LYS A 44 -2.682 18.655 -12.992 1.00 0.00 C ATOM 678 C LYS A 44 -2.122 18.404 -14.387 1.00 0.00 C ATOM 679 O LYS A 44 -0.912 18.267 -14.564 1.00 0.00 O ATOM 680 CB LYS A 44 -2.111 17.648 -11.989 1.00 0.00 C ATOM 681 CG LYS A 44 -2.580 17.879 -10.557 1.00 0.00 C ATOM 682 CD LYS A 44 -2.234 19.275 -10.051 1.00 0.00 C ATOM 683 CE LYS A 44 -0.733 19.469 -9.903 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.397 20.778 -9.284 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.538 17.679 -13.089 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.377 19.657 -12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.394 16.641 -12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.022 17.696 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.659 17.733 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.124 17.135 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.630 20.020 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.718 19.443 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.322 18.664 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.261 19.400 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.636 20.868 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.766 21.548 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.826 20.835 -8.338 1.00 0.00 H new ATOM 698 N ASN A 45 -3.024 18.334 -15.369 1.00 0.00 N ATOM 699 CA ASN A 45 -2.641 18.307 -16.786 1.00 0.00 C ATOM 700 C ASN A 45 -1.846 17.055 -17.161 1.00 0.00 C ATOM 701 O ASN A 45 -0.818 17.147 -17.816 1.00 0.00 O ATOM 702 CB ASN A 45 -1.833 19.567 -17.146 1.00 0.00 C ATOM 703 CG ASN A 45 -2.706 20.784 -17.396 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.369 21.641 -18.213 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.821 20.879 -16.689 1.00 0.00 N ATOM 0 H ASN A 45 -4.031 18.295 -15.209 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.567 18.285 -17.361 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.136 19.787 -16.338 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.236 19.367 -18.036 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.436 21.684 -16.812 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.066 20.148 -16.022 1.00 0.00 H new ATOM 712 N LEU A 46 -2.345 15.884 -16.793 1.00 0.00 N ATOM 713 CA LEU A 46 -1.654 14.627 -17.106 1.00 0.00 C ATOM 714 C LEU A 46 -1.866 14.226 -18.565 1.00 0.00 C ATOM 715 O LEU A 46 -2.674 13.351 -18.885 1.00 0.00 O ATOM 716 CB LEU A 46 -2.113 13.515 -16.154 1.00 0.00 C ATOM 717 CG LEU A 46 -1.194 13.260 -14.945 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.291 14.454 -14.675 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.012 12.939 -13.700 1.00 0.00 C ATOM 0 H LEU A 46 -3.220 15.771 -16.280 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.584 14.781 -16.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.109 13.763 -15.786 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.204 12.589 -16.721 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.568 12.402 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.345 14.242 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.332 14.644 -15.549 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.902 15.332 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.341 12.763 -12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.669 13.778 -13.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.612 12.047 -13.879 1.00 0.00 H new ATOM 731 N ASP A 47 -1.129 14.901 -19.440 1.00 0.00 N ATOM 732 CA ASP A 47 -1.190 14.667 -20.877 1.00 0.00 C ATOM 733 C ASP A 47 -0.171 13.625 -21.316 1.00 0.00 C ATOM 734 O ASP A 47 1.017 13.751 -21.010 1.00 0.00 O ATOM 735 CB ASP A 47 -0.908 15.964 -21.638 1.00 0.00 C ATOM 736 CG ASP A 47 -2.005 16.990 -21.498 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.129 16.735 -21.979 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.747 18.066 -20.919 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.469 15.630 -19.170 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.193 14.304 -21.101 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.028 16.392 -21.278 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.768 15.734 -22.694 1.00 0.00 H new ATOM 743 N GLU A 48 -0.647 12.613 -22.040 1.00 0.00 N ATOM 744 CA GLU A 48 0.212 11.604 -22.655 1.00 0.00 C ATOM 745 C GLU A 48 1.172 10.985 -21.648 1.00 0.00 C ATOM 746 O GLU A 48 0.769 10.262 -20.739 1.00 0.00 O ATOM 747 CB GLU A 48 1.022 12.209 -23.810 1.00 0.00 C ATOM 748 CG GLU A 48 0.213 12.540 -25.045 1.00 0.00 C ATOM 749 CD GLU A 48 -0.308 11.304 -25.743 1.00 0.00 C ATOM 750 OE1 GLU A 48 0.425 10.735 -26.578 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.453 10.896 -25.463 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.641 12.470 -22.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.445 10.822 -23.035 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.509 13.118 -23.457 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.812 11.511 -24.086 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.626 13.177 -24.766 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.831 13.112 -25.738 1.00 0.00 H new ATOM 758 N ASN A 49 2.445 11.284 -21.833 1.00 0.00 N ATOM 759 CA ASN A 49 3.497 10.819 -20.954 1.00 0.00 C ATOM 760 C ASN A 49 4.447 11.964 -20.651 1.00 0.00 C ATOM 761 O ASN A 49 5.536 11.762 -20.119 1.00 0.00 O ATOM 762 CB ASN A 49 4.253 9.653 -21.595 1.00 0.00 C ATOM 763 CG ASN A 49 4.880 10.004 -22.936 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.371 10.839 -23.685 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.985 9.352 -23.255 1.00 0.00 N ATOM 0 H ASN A 49 2.778 11.862 -22.605 1.00 0.00 H new ATOM 0 HA ASN A 49 3.054 10.466 -20.023 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.035 9.318 -20.913 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.568 8.816 -21.730 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.445 9.534 -24.147 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.378 8.667 -22.609 1.00 0.00 H new ATOM 772 N TYR A 50 4.019 13.170 -21.013 1.00 0.00 N ATOM 773 CA TYR A 50 4.795 14.377 -20.770 1.00 0.00 C ATOM 774 C TYR A 50 5.107 14.509 -19.293 1.00 0.00 C ATOM 775 O TYR A 50 4.256 14.229 -18.451 1.00 0.00 O ATOM 776 CB TYR A 50 4.030 15.623 -21.212 1.00 0.00 C ATOM 777 CG TYR A 50 3.439 15.550 -22.604 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.942 14.669 -23.552 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.379 16.370 -22.965 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.400 14.607 -24.823 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.834 16.314 -24.233 1.00 0.00 C ATOM 782 CZ TYR A 50 2.348 15.430 -25.159 1.00 0.00 C ATOM 783 OH TYR A 50 1.801 15.361 -26.423 1.00 0.00 O ATOM 0 H TYR A 50 3.128 13.335 -21.481 1.00 0.00 H new ATOM 0 HA TYR A 50 5.716 14.295 -21.347 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.225 15.808 -20.501 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.702 16.480 -21.163 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.768 14.023 -23.293 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.974 17.063 -22.243 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.800 13.916 -25.550 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.009 16.959 -24.498 1.00 0.00 H new ATOM 0 HH TYR A 50 1.067 16.006 -26.498 1.00 0.00 H new ATOM 793 N CYS A 51 6.316 14.941 -18.991 1.00 0.00 N ATOM 794 CA CYS A 51 6.735 15.137 -17.611 1.00 0.00 C ATOM 795 C CYS A 51 5.896 16.207 -16.920 1.00 0.00 C ATOM 796 O CYS A 51 6.182 17.397 -17.018 1.00 0.00 O ATOM 797 CB CYS A 51 8.201 15.538 -17.557 1.00 0.00 C ATOM 798 SG CYS A 51 9.343 14.269 -18.178 1.00 0.00 S ATOM 0 H CYS A 51 7.030 15.165 -19.684 1.00 0.00 H new ATOM 0 HA CYS A 51 6.592 14.192 -17.088 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.338 16.450 -18.138 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.464 15.774 -16.526 1.00 0.00 H new ATOM 803 N ARG A 52 4.838 15.780 -16.258 1.00 0.00 N ATOM 804 CA ARG A 52 4.018 16.683 -15.474 1.00 0.00 C ATOM 805 C ARG A 52 4.428 16.629 -14.010 1.00 0.00 C ATOM 806 O ARG A 52 5.332 15.885 -13.638 1.00 0.00 O ATOM 807 CB ARG A 52 2.544 16.322 -15.622 1.00 0.00 C ATOM 808 CG ARG A 52 2.008 16.519 -17.033 1.00 0.00 C ATOM 809 CD ARG A 52 2.186 17.952 -17.525 1.00 0.00 C ATOM 810 NE ARG A 52 1.420 18.209 -18.749 1.00 0.00 N ATOM 811 CZ ARG A 52 1.408 19.370 -19.401 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.184 20.365 -19.004 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.606 19.543 -20.444 1.00 0.00 N ATOM 0 H ARG A 52 4.525 14.809 -16.248 1.00 0.00 H new ATOM 0 HA ARG A 52 4.167 17.698 -15.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.402 15.281 -15.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.959 16.929 -14.932 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.520 15.838 -17.712 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.950 16.258 -17.057 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.869 18.645 -16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.243 18.143 -17.711 1.00 0.00 H new ATOM 0 HE ARG A 52 0.858 17.446 -19.127 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.794 20.244 -18.196 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.172 21.253 -19.506 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.005 18.785 -20.749 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.600 20.434 -20.940 1.00 0.00 H new ATOM 827 N ASN A 53 3.767 17.418 -13.183 1.00 0.00 N ATOM 828 CA ASN A 53 3.984 17.352 -11.746 1.00 0.00 C ATOM 829 C ASN A 53 2.631 17.263 -11.032 1.00 0.00 C ATOM 830 O ASN A 53 2.186 18.216 -10.391 1.00 0.00 O ATOM 831 CB ASN A 53 4.779 18.574 -11.262 1.00 0.00 C ATOM 832 CG ASN A 53 5.226 18.464 -9.815 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.749 17.611 -9.064 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.133 19.345 -9.411 1.00 0.00 N ATOM 0 H ASN A 53 3.078 18.110 -13.478 1.00 0.00 H new ATOM 0 HA ASN A 53 4.569 16.463 -11.511 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.655 18.704 -11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.166 19.468 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.461 19.333 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.502 20.034 -10.066 1.00 0.00 H new ATOM 841 N PRO A 54 1.947 16.110 -11.162 1.00 0.00 N ATOM 842 CA PRO A 54 0.631 15.894 -10.550 1.00 0.00 C ATOM 843 C PRO A 54 0.693 15.745 -9.032 1.00 0.00 C ATOM 844 O PRO A 54 -0.049 16.405 -8.305 1.00 0.00 O ATOM 845 CB PRO A 54 0.145 14.590 -11.190 1.00 0.00 C ATOM 846 CG PRO A 54 1.379 13.882 -11.638 1.00 0.00 C ATOM 847 CD PRO A 54 2.395 14.945 -11.947 1.00 0.00 C ATOM 0 HA PRO A 54 -0.028 16.746 -10.719 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.416 13.987 -10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.520 14.789 -12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.744 13.211 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.177 13.271 -12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.399 14.633 -11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.425 15.170 -13.013 1.00 0.00 H new ATOM 855 N ASP A 55 1.573 14.871 -8.563 1.00 0.00 N ATOM 856 CA ASP A 55 1.672 14.570 -7.139 1.00 0.00 C ATOM 857 C ASP A 55 2.157 15.776 -6.329 1.00 0.00 C ATOM 858 O ASP A 55 1.807 15.931 -5.159 1.00 0.00 O ATOM 859 CB ASP A 55 2.600 13.381 -6.912 1.00 0.00 C ATOM 860 CG ASP A 55 2.573 12.896 -5.480 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.601 12.204 -5.108 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.524 13.184 -4.732 1.00 0.00 O1- ATOM 0 H ASP A 55 2.231 14.356 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 55 0.670 14.320 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.311 12.566 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.619 13.662 -7.179 1.00 0.00 H new ATOM 867 N GLY A 56 2.947 16.634 -6.965 1.00 0.00 N ATOM 868 CA GLY A 56 3.454 17.821 -6.298 1.00 0.00 C ATOM 869 C GLY A 56 4.842 17.618 -5.735 1.00 0.00 C ATOM 870 O GLY A 56 5.031 17.549 -4.522 1.00 0.00 O ATOM 0 H GLY A 56 3.247 16.529 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.469 18.652 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.775 18.099 -5.492 1.00 0.00 H new ATOM 874 N LYS A 57 5.810 17.506 -6.629 1.00 0.00 N ATOM 875 CA LYS A 57 7.200 17.360 -6.243 1.00 0.00 C ATOM 876 C LYS A 57 7.957 18.656 -6.510 1.00 0.00 C ATOM 877 O LYS A 57 7.355 19.667 -6.871 1.00 0.00 O ATOM 878 CB LYS A 57 7.851 16.206 -7.010 1.00 0.00 C ATOM 879 CG LYS A 57 7.185 14.859 -6.770 1.00 0.00 C ATOM 880 CD LYS A 57 7.255 14.457 -5.306 1.00 0.00 C ATOM 881 CE LYS A 57 6.600 13.106 -5.059 1.00 0.00 C ATOM 882 NZ LYS A 57 6.669 12.713 -3.628 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.654 17.514 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 57 7.242 17.137 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.824 16.430 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.901 16.138 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.143 14.905 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.670 14.098 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.297 14.419 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.764 15.216 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.558 13.144 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.091 12.347 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.212 11.787 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.664 12.652 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.179 13.424 -3.049 1.00 0.00 H new ATOM 896 N ARG A 59 9.269 18.617 -6.351 1.00 0.00 N ATOM 897 CA ARG A 59 10.108 19.796 -6.558 1.00 0.00 C ATOM 898 C ARG A 59 10.272 20.112 -8.041 1.00 0.00 C ATOM 899 O ARG A 59 10.628 21.230 -8.409 1.00 0.00 O ATOM 900 CB ARG A 59 11.481 19.566 -5.924 1.00 0.00 C ATOM 901 CG ARG A 59 12.219 18.375 -6.515 1.00 0.00 C ATOM 902 CD ARG A 59 13.413 17.970 -5.668 1.00 0.00 C ATOM 903 NE ARG A 59 14.527 18.910 -5.780 1.00 0.00 N ATOM 904 CZ ARG A 59 15.577 18.913 -4.958 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.598 18.119 -3.891 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.602 19.718 -5.194 1.00 0.00 N ATOM 0 H ARG A 59 9.783 17.779 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 59 9.618 20.647 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.088 20.462 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.359 19.414 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.534 17.532 -6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.555 18.620 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.106 17.899 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.748 16.978 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 59 14.500 19.602 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.808 17.503 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.404 18.126 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.589 20.336 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.405 19.720 -4.565 1.00 0.00 H new ATOM 920 N ALA A 60 10.005 19.129 -8.886 1.00 0.00 N ATOM 921 CA ALA A 60 10.222 19.268 -10.316 1.00 0.00 C ATOM 922 C ALA A 60 9.328 18.301 -11.078 1.00 0.00 C ATOM 923 O ALA A 60 8.784 17.368 -10.482 1.00 0.00 O ATOM 924 CB ALA A 60 11.687 19.008 -10.641 1.00 0.00 C ATOM 0 H ALA A 60 9.635 18.221 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 60 9.969 20.284 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.846 19.113 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.311 19.727 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.954 17.998 -10.332 1.00 0.00 H new ATOM 930 N PRO A 61 9.153 18.518 -12.395 1.00 0.00 N ATOM 931 CA PRO A 61 8.391 17.608 -13.252 1.00 0.00 C ATOM 932 C PRO A 61 8.956 16.204 -13.201 1.00 0.00 C ATOM 933 O PRO A 61 10.176 16.012 -13.208 1.00 0.00 O ATOM 934 CB PRO A 61 8.571 18.188 -14.653 1.00 0.00 C ATOM 935 CG PRO A 61 8.877 19.618 -14.425 1.00 0.00 C ATOM 936 CD PRO A 61 9.674 19.664 -13.154 1.00 0.00 C ATOM 0 HA PRO A 61 7.348 17.531 -12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.379 17.690 -15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.669 18.066 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.443 20.035 -15.258 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.963 20.205 -14.336 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.743 19.569 -13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.527 20.602 -12.619 1.00 0.00 H new ATOM 944 N TRP A 62 8.075 15.230 -13.157 1.00 0.00 N ATOM 945 CA TRP A 62 8.486 13.855 -13.020 1.00 0.00 C ATOM 946 C TRP A 62 7.537 12.948 -13.784 1.00 0.00 C ATOM 947 O TRP A 62 6.458 13.372 -14.193 1.00 0.00 O ATOM 948 CB TRP A 62 8.533 13.470 -11.541 1.00 0.00 C ATOM 949 CG TRP A 62 7.201 13.504 -10.852 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.597 14.574 -10.255 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.318 12.399 -10.681 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.387 14.193 -9.719 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.197 12.858 -9.966 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.373 11.063 -11.066 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.139 12.015 -9.627 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.328 10.234 -10.730 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.226 10.711 -10.015 1.00 0.00 C ATOM 0 H TRP A 62 7.066 15.368 -13.215 1.00 0.00 H new ATOM 0 HA TRP A 62 9.485 13.736 -13.440 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.950 12.467 -11.452 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.214 14.145 -11.023 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.008 15.572 -10.210 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.739 14.803 -9.221 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.220 10.684 -11.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.284 12.381 -9.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.360 9.195 -11.024 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.425 10.031 -9.764 1.00 0.00 H new ATOM 968 N CYS A 63 7.933 11.708 -13.980 1.00 0.00 N ATOM 969 CA CYS A 63 7.087 10.762 -14.677 1.00 0.00 C ATOM 970 C CYS A 63 7.400 9.343 -14.226 1.00 0.00 C ATOM 971 O CYS A 63 8.223 9.127 -13.335 1.00 0.00 O ATOM 972 CB CYS A 63 7.278 10.895 -16.192 1.00 0.00 C ATOM 973 SG CYS A 63 8.809 10.126 -16.811 1.00 0.00 S ATOM 0 H CYS A 63 8.829 11.333 -13.669 1.00 0.00 H new ATOM 0 HA CYS A 63 6.046 10.981 -14.437 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.425 10.442 -16.697 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.281 11.952 -16.457 1.00 0.00 H new ATOM 978 N HIS A 64 6.726 8.380 -14.829 1.00 0.00 N ATOM 979 CA HIS A 64 6.938 6.980 -14.503 1.00 0.00 C ATOM 980 C HIS A 64 7.707 6.323 -15.619 1.00 0.00 C ATOM 981 O HIS A 64 7.374 6.495 -16.779 1.00 0.00 O ATOM 982 CB HIS A 64 5.600 6.273 -14.286 1.00 0.00 C ATOM 983 CG HIS A 64 4.848 6.829 -13.124 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.848 7.767 -13.254 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.979 6.598 -11.799 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.396 8.090 -12.057 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.063 7.392 -11.156 1.00 0.00 N ATOM 0 H HIS A 64 6.024 8.543 -15.551 1.00 0.00 H new ATOM 0 HA HIS A 64 7.511 6.907 -13.579 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.993 6.365 -15.187 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.775 5.209 -14.127 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.675 5.916 -11.333 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.613 8.804 -11.849 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.921 7.436 -10.147 1.00 0.00 H new ATOM 996 N THR A 65 8.740 5.589 -15.275 1.00 0.00 N ATOM 997 CA THR A 65 9.574 4.969 -16.279 1.00 0.00 C ATOM 998 C THR A 65 8.909 3.705 -16.812 1.00 0.00 C ATOM 999 O THR A 65 8.202 3.004 -16.081 1.00 0.00 O ATOM 1000 CB THR A 65 10.958 4.627 -15.701 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.844 3.532 -14.789 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.550 5.829 -14.978 1.00 0.00 C ATOM 0 H THR A 65 9.022 5.407 -14.312 1.00 0.00 H new ATOM 0 HA THR A 65 9.703 5.676 -17.098 1.00 0.00 H new ATOM 0 HB THR A 65 11.618 4.352 -16.524 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.456 3.847 -13.946 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.529 5.566 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.655 6.659 -15.677 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.890 6.124 -14.162 1.00 0.00 H new ATOM 1010 N THR A 66 9.103 3.445 -18.094 1.00 0.00 N ATOM 1011 CA THR A 66 8.609 2.228 -18.717 1.00 0.00 C ATOM 1012 C THR A 66 9.443 1.010 -18.319 1.00 0.00 C ATOM 1013 O THR A 66 9.237 -0.094 -18.828 1.00 0.00 O ATOM 1014 CB THR A 66 8.600 2.370 -20.244 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.851 2.917 -20.682 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.457 3.266 -20.684 1.00 0.00 C ATOM 0 H THR A 66 9.604 4.067 -18.729 1.00 0.00 H new ATOM 0 HA THR A 66 7.590 2.074 -18.362 1.00 0.00 H new ATOM 0 HB THR A 66 8.460 1.386 -20.692 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.214 2.365 -21.406 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.464 3.357 -21.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.510 2.832 -20.362 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.575 4.253 -20.236 1.00 0.00 H new ATOM 1024 N ASN A 67 10.372 1.210 -17.398 1.00 0.00 N ATOM 1025 CA ASN A 67 11.245 0.137 -16.945 1.00 0.00 C ATOM 1026 C ASN A 67 10.862 -0.266 -15.536 1.00 0.00 C ATOM 1027 O ASN A 67 10.672 0.587 -14.680 1.00 0.00 O ATOM 1028 CB ASN A 67 12.713 0.576 -16.963 1.00 0.00 C ATOM 1029 CG ASN A 67 13.195 0.970 -18.348 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.691 0.137 -19.104 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.067 2.250 -18.683 1.00 0.00 N ATOM 0 H ASN A 67 10.542 2.109 -16.947 1.00 0.00 H new ATOM 0 HA ASN A 67 11.127 -0.709 -17.623 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.843 1.419 -16.285 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.334 -0.236 -16.585 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.386 2.572 -19.597 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.650 2.910 -18.026 1.00 0.00 H new ATOM 1038 N SER A 68 10.762 -1.558 -15.288 1.00 0.00 N ATOM 1039 CA SER A 68 10.405 -2.045 -13.962 1.00 0.00 C ATOM 1040 C SER A 68 11.619 -2.025 -13.038 1.00 0.00 C ATOM 1041 O SER A 68 11.522 -2.349 -11.853 1.00 0.00 O ATOM 1042 CB SER A 68 9.820 -3.453 -14.063 1.00 0.00 C ATOM 1043 OG SER A 68 10.526 -4.228 -15.015 1.00 0.00 O ATOM 0 H SER A 68 10.921 -2.289 -15.981 1.00 0.00 H new ATOM 0 HA SER A 68 9.649 -1.385 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.863 -3.939 -13.089 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.768 -3.395 -14.344 1.00 0.00 H new ATOM 0 HG SER A 68 10.135 -5.125 -15.061 1.00 0.00 H new ATOM 1049 N GLN A 69 12.756 -1.626 -13.597 1.00 0.00 N ATOM 1050 CA GLN A 69 14.007 -1.531 -12.851 1.00 0.00 C ATOM 1051 C GLN A 69 13.963 -0.343 -11.892 1.00 0.00 C ATOM 1052 O GLN A 69 14.503 -0.388 -10.787 1.00 0.00 O ATOM 1053 CB GLN A 69 15.181 -1.368 -13.825 1.00 0.00 C ATOM 1054 CG GLN A 69 15.149 -2.351 -14.987 1.00 0.00 C ATOM 1055 CD GLN A 69 16.397 -2.289 -15.846 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.381 -2.983 -15.587 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.355 -1.471 -16.884 1.00 0.00 N ATOM 0 H GLN A 69 12.837 -1.360 -14.578 1.00 0.00 H new ATOM 0 HA GLN A 69 14.142 -2.445 -12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.177 -0.352 -14.219 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.116 -1.494 -13.279 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.032 -3.362 -14.598 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.277 -2.145 -15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.519 -0.914 -17.061 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.159 -1.397 -17.508 1.00 0.00 H new ATOM 1066 N VAL A 70 13.295 0.710 -12.326 1.00 0.00 N ATOM 1067 CA VAL A 70 13.180 1.933 -11.555 1.00 0.00 C ATOM 1068 C VAL A 70 11.717 2.373 -11.521 1.00 0.00 C ATOM 1069 O VAL A 70 10.954 2.036 -12.417 1.00 0.00 O ATOM 1070 CB VAL A 70 14.077 3.037 -12.171 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.744 3.251 -13.638 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.969 4.343 -11.400 1.00 0.00 C ATOM 0 H VAL A 70 12.816 0.741 -13.226 1.00 0.00 H new ATOM 0 HA VAL A 70 13.517 1.756 -10.534 1.00 0.00 H new ATOM 0 HB VAL A 70 15.109 2.695 -12.099 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.387 4.030 -14.047 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.905 2.323 -14.187 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.701 3.553 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.612 5.092 -11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.936 4.691 -11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.281 4.183 -10.368 1.00 0.00 H new ATOM 1082 N ARG A 71 11.309 3.088 -10.484 1.00 0.00 N ATOM 1083 CA ARG A 71 9.927 3.520 -10.377 1.00 0.00 C ATOM 1084 C ARG A 71 9.707 4.790 -11.182 1.00 0.00 C ATOM 1085 O ARG A 71 9.673 4.774 -12.416 1.00 0.00 O ATOM 1086 CB ARG A 71 9.544 3.778 -8.916 1.00 0.00 C ATOM 1087 CG ARG A 71 9.592 2.552 -8.027 1.00 0.00 C ATOM 1088 CD ARG A 71 9.556 2.941 -6.559 1.00 0.00 C ATOM 1089 NE ARG A 71 8.547 3.966 -6.279 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.571 3.822 -5.383 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.407 2.661 -4.763 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 6.742 4.826 -5.127 1.00 0.00 N ATOM 0 H ARG A 71 11.909 3.378 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 71 9.298 2.722 -10.772 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.213 4.534 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.537 4.194 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.749 1.900 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.499 1.984 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.349 2.057 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.537 3.309 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 71 8.594 4.841 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.028 1.879 -4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.660 2.550 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.850 5.714 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.997 4.710 -4.440 1.00 0.00 H new ATOM 1106 N TRP A 72 9.530 5.879 -10.464 1.00 0.00 N ATOM 1107 CA TRP A 72 9.358 7.184 -11.063 1.00 0.00 C ATOM 1108 C TRP A 72 10.693 7.912 -11.127 1.00 0.00 C ATOM 1109 O TRP A 72 11.626 7.569 -10.399 1.00 0.00 O ATOM 1110 CB TRP A 72 8.328 7.990 -10.269 1.00 0.00 C ATOM 1111 CG TRP A 72 8.755 8.323 -8.874 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.786 7.488 -7.794 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.204 9.597 -8.410 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.218 8.170 -6.685 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.484 9.468 -7.038 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.395 10.834 -9.028 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 9.945 10.536 -6.271 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 9.853 11.892 -8.267 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.125 11.738 -6.903 1.00 0.00 C ATOM 0 H TRP A 72 9.501 5.883 -9.444 1.00 0.00 H new ATOM 0 HA TRP A 72 8.989 7.067 -12.082 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.117 8.916 -10.804 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.396 7.427 -10.227 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.511 6.444 -7.811 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.324 7.776 -5.750 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.189 10.961 -10.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.153 10.420 -5.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.004 12.855 -8.733 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.484 12.584 -6.337 1.00 0.00 H new ATOM 1130 N GLU A 73 10.774 8.922 -11.974 1.00 0.00 N ATOM 1131 CA GLU A 73 11.992 9.699 -12.130 1.00 0.00 C ATOM 1132 C GLU A 73 11.653 11.144 -12.432 1.00 0.00 C ATOM 1133 O GLU A 73 10.598 11.440 -12.996 1.00 0.00 O ATOM 1134 CB GLU A 73 12.875 9.141 -13.252 1.00 0.00 C ATOM 1135 CG GLU A 73 13.685 7.915 -12.863 1.00 0.00 C ATOM 1136 CD GLU A 73 14.843 7.661 -13.805 1.00 0.00 C ATOM 1137 OE1 GLU A 73 14.685 7.852 -15.032 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.922 7.259 -13.326 1.00 0.00 O1- ATOM 0 H GLU A 73 10.004 9.226 -12.570 1.00 0.00 H new ATOM 0 HA GLU A 73 12.545 9.636 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.243 8.889 -14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.558 9.923 -13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.066 8.042 -11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.033 7.042 -12.851 1.00 0.00 H new ATOM 1145 N TYR A 74 12.545 12.036 -12.034 1.00 0.00 N ATOM 1146 CA TYR A 74 12.419 13.445 -12.363 1.00 0.00 C ATOM 1147 C TYR A 74 12.810 13.675 -13.813 1.00 0.00 C ATOM 1148 O TYR A 74 13.392 12.798 -14.449 1.00 0.00 O ATOM 1149 CB TYR A 74 13.309 14.296 -11.458 1.00 0.00 C ATOM 1150 CG TYR A 74 12.814 14.416 -10.036 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.604 15.037 -9.750 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.563 13.921 -8.976 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.156 15.158 -8.447 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.121 14.037 -7.674 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.919 14.656 -7.414 1.00 0.00 C ATOM 1156 OH TYR A 74 11.479 14.776 -6.115 1.00 0.00 O ATOM 0 H TYR A 74 13.369 11.806 -11.479 1.00 0.00 H new ATOM 0 HA TYR A 74 11.380 13.739 -12.211 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.311 13.868 -11.447 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.394 15.295 -11.886 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.005 15.431 -10.557 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.508 13.437 -9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.214 15.643 -8.240 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.715 13.644 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 74 12.133 14.369 -5.509 1.00 0.00 H new ATOM 1166 N CYS A 75 12.506 14.853 -14.327 1.00 0.00 N ATOM 1167 CA CYS A 75 12.843 15.184 -15.701 1.00 0.00 C ATOM 1168 C CYS A 75 13.659 16.463 -15.772 1.00 0.00 C ATOM 1169 O CYS A 75 13.406 17.424 -15.043 1.00 0.00 O ATOM 1170 CB CYS A 75 11.585 15.349 -16.538 1.00 0.00 C ATOM 1171 SG CYS A 75 10.492 13.900 -16.554 1.00 0.00 S ATOM 0 H CYS A 75 12.028 15.595 -13.816 1.00 0.00 H new ATOM 0 HA CYS A 75 13.438 14.361 -16.097 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.025 16.206 -16.163 1.00 0.00 H new ATOM 0 HB3 CYS A 75 11.874 15.581 -17.563 1.00 0.00 H new ATOM 1176 N LYS A 76 14.635 16.463 -16.659 1.00 0.00 N ATOM 1177 CA LYS A 76 15.462 17.629 -16.884 1.00 0.00 C ATOM 1178 C LYS A 76 14.767 18.586 -17.844 1.00 0.00 C ATOM 1179 O LYS A 76 14.906 18.468 -19.060 1.00 0.00 O ATOM 1180 CB LYS A 76 16.823 17.202 -17.442 1.00 0.00 C ATOM 1181 CG LYS A 76 17.765 18.358 -17.745 1.00 0.00 C ATOM 1182 CD LYS A 76 19.136 17.857 -18.175 1.00 0.00 C ATOM 1183 CE LYS A 76 19.068 17.015 -19.441 1.00 0.00 C ATOM 1184 NZ LYS A 76 18.741 17.827 -20.641 1.00 0.00 N1+ ATOM 0 H LYS A 76 14.875 15.660 -17.240 1.00 0.00 H new ATOM 0 HA LYS A 76 15.619 18.144 -15.936 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.303 16.535 -16.726 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.665 16.628 -18.355 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.339 18.980 -18.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.867 18.988 -16.861 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.796 18.708 -18.341 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.574 17.266 -17.371 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.024 16.514 -19.593 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.316 16.236 -19.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.739 17.217 -21.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.802 18.258 -20.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.453 18.576 -20.758 1.00 0.00 H new ATOM 1198 N ILE A 77 13.978 19.497 -17.297 1.00 0.00 N ATOM 1199 CA ILE A 77 13.369 20.541 -18.103 1.00 0.00 C ATOM 1200 C ILE A 77 14.308 21.745 -18.115 1.00 0.00 C ATOM 1201 O ILE A 77 14.994 21.994 -17.120 1.00 0.00 O ATOM 1202 CB ILE A 77 11.984 20.961 -17.544 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.093 19.741 -17.296 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.282 21.924 -18.488 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.027 18.777 -18.457 1.00 0.00 C ATOM 0 H ILE A 77 13.746 19.534 -16.304 1.00 0.00 H new ATOM 0 HA ILE A 77 13.212 20.162 -19.113 1.00 0.00 H new ATOM 0 HB ILE A 77 12.159 21.465 -16.593 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.459 19.210 -16.418 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.084 20.083 -17.064 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.314 22.201 -18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.892 22.818 -18.615 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.136 21.444 -19.455 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.376 17.942 -18.200 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.631 19.290 -19.333 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.027 18.403 -18.677 1.00 0.00 H new ATOM 1217 N PRO A 78 14.390 22.498 -19.230 1.00 0.00 N ATOM 1218 CA PRO A 78 15.213 23.705 -19.299 1.00 0.00 C ATOM 1219 C PRO A 78 14.704 24.773 -18.339 1.00 0.00 C ATOM 1220 O PRO A 78 13.827 24.520 -17.523 1.00 0.00 O ATOM 1221 CB PRO A 78 15.066 24.168 -20.754 1.00 0.00 C ATOM 1222 CG PRO A 78 14.564 22.976 -21.485 1.00 0.00 C ATOM 1223 CD PRO A 78 13.696 22.255 -20.502 1.00 0.00 C ATOM 0 HA PRO A 78 16.249 23.520 -19.016 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.370 25.003 -20.835 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.019 24.507 -21.159 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.000 23.266 -22.371 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.386 22.345 -21.823 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.680 22.649 -20.492 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.623 21.191 -20.728 1.00 0.00 H new ATOM 1231 N SER A 79 15.228 25.969 -18.447 1.00 0.00 N ATOM 1232 CA SER A 79 14.885 27.035 -17.523 1.00 0.00 C ATOM 1233 C SER A 79 15.248 28.388 -18.101 1.00 0.00 C ATOM 1234 O SER A 79 16.342 28.586 -18.629 1.00 0.00 O ATOM 1235 CB SER A 79 15.588 26.845 -16.173 1.00 0.00 C ATOM 1236 OG SER A 79 15.058 25.735 -15.462 1.00 0.00 O ATOM 0 H SER A 79 15.898 26.235 -19.168 1.00 0.00 H new ATOM 0 HA SER A 79 13.807 26.995 -17.364 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.656 26.698 -16.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.478 27.749 -15.574 1.00 0.00 H new ATOM 0 HG SER A 79 14.359 25.306 -15.999 1.00 0.00 H new ATOM 1242 N CYS A 80 14.310 29.307 -18.010 1.00 0.00 N ATOM 1243 CA CYS A 80 14.543 30.683 -18.379 1.00 0.00 C ATOM 1244 C CYS A 80 15.094 31.413 -17.161 1.00 0.00 C ATOM 1245 O CYS A 80 15.545 32.558 -17.244 1.00 0.00 O ATOM 1246 CB CYS A 80 13.238 31.314 -18.874 1.00 0.00 C ATOM 1247 SG CYS A 80 12.520 30.480 -20.337 1.00 0.00 S ATOM 0 H CYS A 80 13.364 29.119 -17.678 1.00 0.00 H new ATOM 0 HA CYS A 80 15.266 30.752 -19.192 1.00 0.00 H new ATOM 0 HB2 CYS A 80 12.508 31.298 -18.064 1.00 0.00 H new ATOM 0 HB3 CYS A 80 13.421 32.360 -19.118 1.00 0.00 H new ATOM 1252 N ASP A 81 15.054 30.711 -16.026 1.00 0.00 N ATOM 1253 CA ASP A 81 15.651 31.188 -14.783 1.00 0.00 C ATOM 1254 C ASP A 81 17.146 31.388 -14.962 1.00 0.00 C ATOM 1255 O ASP A 81 17.830 30.545 -15.547 1.00 0.00 O ATOM 1256 CB ASP A 81 15.419 30.188 -13.643 1.00 0.00 C ATOM 1257 CG ASP A 81 13.961 30.039 -13.265 1.00 0.00 C ATOM 1258 OD1 ASP A 81 13.479 30.817 -12.415 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 13.291 29.133 -13.800 1.00 0.00 O1- ATOM 0 H ASP A 81 14.607 29.798 -15.946 1.00 0.00 H new ATOM 0 HA ASP A 81 15.177 32.136 -14.529 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.812 29.215 -13.937 1.00 0.00 H new ATOM 0 HB3 ASP A 81 15.983 30.509 -12.767 1.00 0.00 H new ATOM 1264 N SER A 82 17.643 32.504 -14.469 1.00 0.00 N ATOM 1265 CA SER A 82 19.057 32.829 -14.544 1.00 0.00 C ATOM 1266 C SER A 82 19.394 33.855 -13.474 1.00 0.00 C ATOM 1267 O SER A 82 18.709 34.895 -13.427 1.00 0.00 O ATOM 1268 CB SER A 82 19.419 33.366 -15.933 1.00 0.00 C ATOM 1269 OG SER A 82 19.197 32.380 -16.931 1.00 0.00 O ATOM 1270 OXT SER A 82 20.329 33.618 -12.677 1.00 0.00 O1- ATOM 0 H SER A 82 17.078 33.214 -14.003 1.00 0.00 H new ATOM 0 HA SER A 82 19.639 31.923 -14.374 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.822 34.252 -16.152 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.464 33.675 -15.947 1.00 0.00 H new ATOM 0 HG SER A 82 18.993 31.522 -16.504 1.00 0.00 H new TER 1276 SER A 82