USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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 27 THR OG1 : rot -103:sc= 0.0356 USER MOD Set 1.2: A 32 GLN : amide:sc= -0.0283 X(o=0.0073,f=0.028) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 34:sc= 1.2 USER MOD Single : A 21 GLN : amide:sc= -0.104 K(o=-0.1,f=-1) USER MOD Single : A 22 HIS : no HD1:sc= -0.0998 X(o=-0.1,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00413 USER MOD Single : A 43 ASN : amide:sc= -3.76! X(o=-3.8!,f=-3.6) USER MOD Single : A 44 THR OG1 : rot 98:sc= 0.195 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 50 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.73) USER MOD Single : A 59 GLN : amide:sc= -1.87! X(o=-1.9!,f=-1.6) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.91) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.247 (180deg=-1.03!) USER MOD Single : A 71 SER OG : rot -130:sc= -0.901 USER MOD Single : A 74 SER OG : rot 42:sc= 0.805 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.549 -67.789 2.730 1.00 0.00 N ATOM 2 CA GLY A 1 10.835 -66.566 2.002 1.00 0.00 C ATOM 3 C GLY A 1 9.581 -65.901 1.470 1.00 0.00 C ATOM 4 O GLY A 1 8.707 -66.565 0.912 1.00 0.00 O ATOM 0 H1 GLY A 1 11.438 -68.205 3.073 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.932 -67.575 3.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.071 -68.464 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.361 -65.871 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.504 -66.789 1.171 1.00 0.00 H new ATOM 8 N SER A 2 9.490 -64.586 1.644 1.00 0.00 N ATOM 9 CA SER A 2 8.331 -63.832 1.182 1.00 0.00 C ATOM 10 C SER A 2 8.607 -62.332 1.224 1.00 0.00 C ATOM 11 O SER A 2 9.408 -61.860 2.030 1.00 0.00 O ATOM 12 CB SER A 2 7.107 -64.161 2.039 1.00 0.00 C ATOM 13 OG SER A 2 6.399 -65.270 1.513 1.00 0.00 O ATOM 0 H SER A 2 10.205 -64.021 2.102 1.00 0.00 H new ATOM 0 HA SER A 2 8.130 -64.118 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.422 -64.378 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.448 -63.294 2.086 1.00 0.00 H new ATOM 0 HG SER A 2 7.036 -65.937 1.181 1.00 0.00 H new ATOM 19 N SER A 3 7.937 -61.589 0.349 1.00 0.00 N ATOM 20 CA SER A 3 8.112 -60.143 0.282 1.00 0.00 C ATOM 21 C SER A 3 7.067 -59.511 -0.633 1.00 0.00 C ATOM 22 O SER A 3 6.302 -60.210 -1.296 1.00 0.00 O ATOM 23 CB SER A 3 9.517 -59.800 -0.217 1.00 0.00 C ATOM 24 OG SER A 3 9.862 -58.465 0.108 1.00 0.00 O ATOM 0 H SER A 3 7.268 -61.964 -0.323 1.00 0.00 H new ATOM 0 HA SER A 3 7.982 -59.740 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.241 -60.484 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.567 -59.939 -1.297 1.00 0.00 H new ATOM 0 HG SER A 3 10.765 -58.271 -0.220 1.00 0.00 H new ATOM 30 N GLY A 4 7.042 -58.182 -0.662 1.00 0.00 N ATOM 31 CA GLY A 4 6.088 -57.477 -1.498 1.00 0.00 C ATOM 32 C GLY A 4 6.283 -55.974 -1.460 1.00 0.00 C ATOM 33 O GLY A 4 7.159 -55.473 -0.755 1.00 0.00 O ATOM 0 H GLY A 4 7.665 -57.581 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.183 -57.827 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.076 -57.717 -1.171 1.00 0.00 H new ATOM 37 N SER A 5 5.466 -55.253 -2.221 1.00 0.00 N ATOM 38 CA SER A 5 5.556 -53.799 -2.275 1.00 0.00 C ATOM 39 C SER A 5 4.418 -53.214 -3.106 1.00 0.00 C ATOM 40 O SER A 5 3.885 -53.872 -4.000 1.00 0.00 O ATOM 41 CB SER A 5 6.903 -53.372 -2.863 1.00 0.00 C ATOM 42 OG SER A 5 7.247 -52.061 -2.450 1.00 0.00 O ATOM 0 H SER A 5 4.734 -55.652 -2.809 1.00 0.00 H new ATOM 0 HA SER A 5 5.473 -53.417 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.678 -54.071 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.858 -53.414 -3.951 1.00 0.00 H new ATOM 0 HG SER A 5 8.112 -51.812 -2.837 1.00 0.00 H new ATOM 48 N SER A 6 4.050 -51.973 -2.804 1.00 0.00 N ATOM 49 CA SER A 6 2.972 -51.300 -3.519 1.00 0.00 C ATOM 50 C SER A 6 3.092 -49.785 -3.382 1.00 0.00 C ATOM 51 O SER A 6 3.962 -49.282 -2.672 1.00 0.00 O ATOM 52 CB SER A 6 1.613 -51.765 -2.992 1.00 0.00 C ATOM 53 OG SER A 6 1.301 -51.136 -1.761 1.00 0.00 O ATOM 0 H SER A 6 4.482 -51.413 -2.069 1.00 0.00 H new ATOM 0 HA SER A 6 3.052 -51.560 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.839 -51.540 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.622 -52.847 -2.859 1.00 0.00 H new ATOM 0 HG SER A 6 0.427 -51.449 -1.446 1.00 0.00 H new ATOM 59 N GLY A 7 2.211 -49.063 -4.069 1.00 0.00 N ATOM 60 CA GLY A 7 2.235 -47.613 -4.011 1.00 0.00 C ATOM 61 C GLY A 7 2.118 -46.977 -5.382 1.00 0.00 C ATOM 62 O GLY A 7 3.050 -47.040 -6.186 1.00 0.00 O ATOM 0 H GLY A 7 1.482 -49.456 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.417 -47.264 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.162 -47.286 -3.540 1.00 0.00 H new ATOM 66 N LEU A 8 0.972 -46.363 -5.651 1.00 0.00 N ATOM 67 CA LEU A 8 0.735 -45.713 -6.936 1.00 0.00 C ATOM 68 C LEU A 8 0.358 -44.248 -6.743 1.00 0.00 C ATOM 69 O LEU A 8 -0.583 -43.928 -6.016 1.00 0.00 O ATOM 70 CB LEU A 8 -0.372 -46.440 -7.701 1.00 0.00 C ATOM 71 CG LEU A 8 0.012 -47.784 -8.321 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.985 -47.583 -9.472 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.612 -48.705 -7.268 1.00 0.00 C ATOM 0 H LEU A 8 0.192 -46.301 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 8 1.658 -45.759 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.209 -46.602 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.728 -45.784 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.891 -48.252 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.247 -48.551 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.520 -46.961 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.887 -47.093 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.879 -49.657 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.504 -48.242 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.117 -48.876 -6.476 1.00 0.00 H new ATOM 85 N LEU A 9 1.096 -43.361 -7.401 1.00 0.00 N ATOM 86 CA LEU A 9 0.838 -41.928 -7.305 1.00 0.00 C ATOM 87 C LEU A 9 -0.409 -41.545 -8.095 1.00 0.00 C ATOM 88 O LEU A 9 -1.084 -42.404 -8.662 1.00 0.00 O ATOM 89 CB LEU A 9 2.043 -41.137 -7.817 1.00 0.00 C ATOM 90 CG LEU A 9 2.928 -41.850 -8.840 1.00 0.00 C ATOM 91 CD1 LEU A 9 3.867 -42.825 -8.146 1.00 0.00 C ATOM 92 CD2 LEU A 9 2.075 -42.571 -9.873 1.00 0.00 C ATOM 0 H LEU A 9 1.878 -43.609 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 9 0.670 -41.684 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.681 -40.210 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.660 -40.860 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 9 3.530 -41.102 -9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.489 -43.323 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.503 -42.282 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.283 -43.569 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.722 -43.073 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.446 -43.309 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.445 -41.849 -10.393 1.00 0.00 H new ATOM 104 N GLU A 10 -0.707 -40.250 -8.130 1.00 0.00 N ATOM 105 CA GLU A 10 -1.873 -39.754 -8.853 1.00 0.00 C ATOM 106 C GLU A 10 -1.545 -38.458 -9.589 1.00 0.00 C ATOM 107 O GLU A 10 -0.606 -37.748 -9.229 1.00 0.00 O ATOM 108 CB GLU A 10 -3.039 -39.526 -7.889 1.00 0.00 C ATOM 109 CG GLU A 10 -2.809 -38.382 -6.916 1.00 0.00 C ATOM 110 CD GLU A 10 -2.020 -38.806 -5.693 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.175 -39.966 -5.259 1.00 0.00 O ATOM 112 OE2 GLU A 10 -1.247 -37.976 -5.169 1.00 0.00 O ATOM 0 H GLU A 10 -0.158 -39.526 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.161 -40.506 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.942 -39.326 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.217 -40.441 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.278 -37.578 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.771 -37.979 -6.601 1.00 0.00 H new ATOM 119 N ILE A 11 -2.326 -38.158 -10.621 1.00 0.00 N ATOM 120 CA ILE A 11 -2.120 -36.948 -11.408 1.00 0.00 C ATOM 121 C ILE A 11 -3.067 -35.837 -10.966 1.00 0.00 C ATOM 122 O ILE A 11 -4.235 -36.085 -10.665 1.00 0.00 O ATOM 123 CB ILE A 11 -2.323 -37.213 -12.911 1.00 0.00 C ATOM 124 CG1 ILE A 11 -1.491 -38.417 -13.356 1.00 0.00 C ATOM 125 CG2 ILE A 11 -1.953 -35.979 -13.721 1.00 0.00 C ATOM 126 CD1 ILE A 11 -2.253 -39.724 -13.322 1.00 0.00 C ATOM 0 H ILE A 11 -3.107 -38.736 -10.932 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.090 -36.633 -11.239 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.375 -37.437 -13.086 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.128 -38.243 -14.369 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.614 -38.500 -12.714 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.102 -36.182 -14.782 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.584 -35.143 -13.419 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.908 -35.727 -13.543 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.601 -40.534 -13.650 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.593 -39.921 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.115 -39.660 -13.986 1.00 0.00 H new ATOM 138 N LYS A 12 -2.556 -34.611 -10.931 1.00 0.00 N ATOM 139 CA LYS A 12 -3.356 -33.460 -10.530 1.00 0.00 C ATOM 140 C LYS A 12 -2.932 -32.210 -11.293 1.00 0.00 C ATOM 141 O LYS A 12 -1.784 -32.093 -11.723 1.00 0.00 O ATOM 142 CB LYS A 12 -3.223 -33.221 -9.024 1.00 0.00 C ATOM 143 CG LYS A 12 -1.846 -32.738 -8.604 1.00 0.00 C ATOM 144 CD LYS A 12 -1.889 -32.026 -7.262 1.00 0.00 C ATOM 145 CE LYS A 12 -2.487 -30.633 -7.389 1.00 0.00 C ATOM 146 NZ LYS A 12 -2.951 -30.108 -6.075 1.00 0.00 N ATOM 0 H LYS A 12 -1.591 -34.389 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.398 -33.673 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.966 -32.487 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.451 -34.147 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.164 -33.587 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.449 -32.063 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.477 -32.613 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.881 -31.954 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.744 -29.955 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.325 -30.659 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.352 -29.157 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.679 -30.741 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.147 -30.059 -5.417 1.00 0.00 H new ATOM 160 N ARG A 13 -3.864 -31.277 -11.457 1.00 0.00 N ATOM 161 CA ARG A 13 -3.585 -30.035 -12.168 1.00 0.00 C ATOM 162 C ARG A 13 -4.717 -29.030 -11.971 1.00 0.00 C ATOM 163 O ARG A 13 -5.892 -29.366 -12.114 1.00 0.00 O ATOM 164 CB ARG A 13 -3.388 -30.310 -13.660 1.00 0.00 C ATOM 165 CG ARG A 13 -2.464 -29.317 -14.346 1.00 0.00 C ATOM 166 CD ARG A 13 -3.189 -28.024 -14.685 1.00 0.00 C ATOM 167 NE ARG A 13 -2.264 -26.911 -14.877 1.00 0.00 N ATOM 168 CZ ARG A 13 -1.634 -26.668 -16.021 1.00 0.00 C ATOM 169 NH1 ARG A 13 -1.830 -27.455 -17.070 1.00 0.00 N ATOM 170 NH2 ARG A 13 -0.807 -25.635 -16.118 1.00 0.00 N ATOM 0 H ARG A 13 -4.819 -31.358 -11.107 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.668 -29.610 -11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.985 -31.315 -13.785 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.359 -30.292 -14.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.615 -29.100 -13.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.064 -29.761 -15.258 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.778 -28.166 -15.591 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.888 -27.780 -13.885 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.092 -26.286 -14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.466 -28.249 -17.000 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.345 -27.266 -17.947 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.654 -25.027 -15.314 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.324 -25.449 -16.997 1.00 0.00 H new ATOM 184 N LYS A 14 -4.353 -27.795 -11.641 1.00 0.00 N ATOM 185 CA LYS A 14 -5.336 -26.740 -11.425 1.00 0.00 C ATOM 186 C LYS A 14 -6.450 -26.813 -12.464 1.00 0.00 C ATOM 187 O LYS A 14 -7.568 -27.229 -12.162 1.00 0.00 O ATOM 188 CB LYS A 14 -4.662 -25.368 -11.480 1.00 0.00 C ATOM 189 CG LYS A 14 -4.158 -24.883 -10.132 1.00 0.00 C ATOM 190 CD LYS A 14 -4.174 -23.366 -10.043 1.00 0.00 C ATOM 191 CE LYS A 14 -3.530 -22.876 -8.755 1.00 0.00 C ATOM 192 NZ LYS A 14 -2.052 -22.751 -8.887 1.00 0.00 N ATOM 0 H LYS A 14 -3.384 -27.500 -11.517 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.775 -26.883 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.825 -25.411 -12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.370 -24.640 -11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.778 -25.301 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.144 -25.247 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.646 -22.945 -10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.202 -23.008 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.953 -21.909 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.765 -23.567 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.650 -22.415 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.645 -23.679 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.827 -22.072 -9.642 1.00 0.00 H new ATOM 206 N GLY A 15 -6.137 -26.406 -13.691 1.00 0.00 N ATOM 207 CA GLY A 15 -7.123 -26.435 -14.756 1.00 0.00 C ATOM 208 C GLY A 15 -7.896 -25.136 -14.865 1.00 0.00 C ATOM 209 O GLY A 15 -9.112 -25.144 -15.053 1.00 0.00 O ATOM 0 H GLY A 15 -5.219 -26.057 -13.966 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.624 -26.638 -15.704 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.819 -27.255 -14.580 1.00 0.00 H new ATOM 213 N ALA A 16 -7.190 -24.016 -14.746 1.00 0.00 N ATOM 214 CA ALA A 16 -7.818 -22.704 -14.834 1.00 0.00 C ATOM 215 C ALA A 16 -8.110 -22.330 -16.283 1.00 0.00 C ATOM 216 O ALA A 16 -7.360 -22.689 -17.191 1.00 0.00 O ATOM 217 CB ALA A 16 -6.932 -21.651 -14.183 1.00 0.00 C ATOM 0 H ALA A 16 -6.183 -23.992 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.767 -22.746 -14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.413 -20.675 -14.256 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.779 -21.903 -13.134 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.969 -21.620 -14.693 1.00 0.00 H new ATOM 223 N LYS A 17 -9.205 -21.607 -16.493 1.00 0.00 N ATOM 224 CA LYS A 17 -9.597 -21.184 -17.832 1.00 0.00 C ATOM 225 C LYS A 17 -8.935 -19.860 -18.200 1.00 0.00 C ATOM 226 O LYS A 17 -8.703 -19.010 -17.339 1.00 0.00 O ATOM 227 CB LYS A 17 -11.118 -21.047 -17.921 1.00 0.00 C ATOM 228 CG LYS A 17 -11.631 -19.678 -17.507 1.00 0.00 C ATOM 229 CD LYS A 17 -11.928 -19.621 -16.018 1.00 0.00 C ATOM 230 CE LYS A 17 -13.262 -20.272 -15.690 1.00 0.00 C ATOM 231 NZ LYS A 17 -13.291 -20.808 -14.301 1.00 0.00 N ATOM 0 H LYS A 17 -9.837 -21.302 -15.753 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.265 -21.945 -18.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.433 -21.250 -18.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.580 -21.805 -17.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.891 -18.919 -17.761 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.535 -19.442 -18.069 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.132 -20.123 -15.468 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.938 -18.582 -15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.062 -19.543 -15.815 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.455 -21.080 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.217 -21.244 -14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.544 -21.523 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.133 -20.033 -13.626 1.00 0.00 H new ATOM 245 N ARG A 18 -8.633 -19.690 -19.483 1.00 0.00 N ATOM 246 CA ARG A 18 -7.998 -18.469 -19.964 1.00 0.00 C ATOM 247 C ARG A 18 -6.866 -18.043 -19.034 1.00 0.00 C ATOM 248 O ARG A 18 -6.547 -16.859 -18.929 1.00 0.00 O ATOM 249 CB ARG A 18 -9.028 -17.344 -20.079 1.00 0.00 C ATOM 250 CG ARG A 18 -9.955 -17.487 -21.275 1.00 0.00 C ATOM 251 CD ARG A 18 -11.202 -18.283 -20.922 1.00 0.00 C ATOM 252 NE ARG A 18 -11.935 -18.709 -22.111 1.00 0.00 N ATOM 253 CZ ARG A 18 -13.236 -18.977 -22.116 1.00 0.00 C ATOM 254 NH1 ARG A 18 -13.944 -18.863 -21.001 1.00 0.00 N ATOM 255 NH2 ARG A 18 -13.831 -19.359 -23.239 1.00 0.00 N ATOM 0 H ARG A 18 -8.818 -20.383 -20.208 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.579 -18.671 -20.950 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.626 -17.316 -19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.505 -16.390 -20.147 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.242 -16.499 -21.634 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.426 -17.981 -22.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.920 -19.159 -20.337 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.853 -17.676 -20.293 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.420 -18.806 -22.986 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.490 -18.569 -20.136 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.943 -19.069 -21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.289 -19.447 -24.099 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.830 -19.565 -23.242 1.00 0.00 H new ATOM 269 N GLY A 19 -6.261 -19.017 -18.360 1.00 0.00 N ATOM 270 CA GLY A 19 -5.172 -18.723 -17.448 1.00 0.00 C ATOM 271 C GLY A 19 -5.622 -17.908 -16.251 1.00 0.00 C ATOM 272 O GLY A 19 -6.357 -16.931 -16.398 1.00 0.00 O ATOM 0 H GLY A 19 -6.506 -20.005 -18.430 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.730 -19.657 -17.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.392 -18.179 -17.981 1.00 0.00 H new ATOM 276 N SER A 20 -5.182 -18.310 -15.064 1.00 0.00 N ATOM 277 CA SER A 20 -5.548 -17.614 -13.836 1.00 0.00 C ATOM 278 C SER A 20 -4.718 -18.115 -12.658 1.00 0.00 C ATOM 279 O SER A 20 -4.771 -19.293 -12.306 1.00 0.00 O ATOM 280 CB SER A 20 -7.038 -17.803 -13.543 1.00 0.00 C ATOM 281 OG SER A 20 -7.811 -16.784 -14.151 1.00 0.00 O ATOM 0 H SER A 20 -4.571 -19.115 -14.926 1.00 0.00 H new ATOM 0 HA SER A 20 -5.344 -16.552 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.363 -18.777 -13.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.204 -17.795 -12.466 1.00 0.00 H new ATOM 0 HG SER A 20 -7.399 -16.525 -15.002 1.00 0.00 H new ATOM 287 N GLN A 21 -3.953 -17.212 -12.055 1.00 0.00 N ATOM 288 CA GLN A 21 -3.111 -17.562 -10.917 1.00 0.00 C ATOM 289 C GLN A 21 -3.265 -16.545 -9.792 1.00 0.00 C ATOM 290 O GLN A 21 -3.638 -15.395 -10.028 1.00 0.00 O ATOM 291 CB GLN A 21 -1.645 -17.647 -11.347 1.00 0.00 C ATOM 292 CG GLN A 21 -1.389 -18.678 -12.435 1.00 0.00 C ATOM 293 CD GLN A 21 -0.148 -18.370 -13.250 1.00 0.00 C ATOM 294 OE1 GLN A 21 0.151 -17.209 -13.531 1.00 0.00 O ATOM 295 NE2 GLN A 21 0.581 -19.410 -13.635 1.00 0.00 N ATOM 0 H GLN A 21 -3.898 -16.233 -12.335 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.431 -18.536 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.322 -16.668 -11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.033 -17.889 -10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.285 -19.663 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.253 -18.723 -13.098 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.296 -20.355 -13.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.427 -19.264 -14.186 1.00 0.00 H new ATOM 304 N HIS A 22 -2.975 -16.974 -8.568 1.00 0.00 N ATOM 305 CA HIS A 22 -3.081 -16.100 -7.405 1.00 0.00 C ATOM 306 C HIS A 22 -4.390 -15.317 -7.432 1.00 0.00 C ATOM 307 O HIS A 22 -4.424 -14.133 -7.096 1.00 0.00 O ATOM 308 CB HIS A 22 -1.897 -15.134 -7.357 1.00 0.00 C ATOM 309 CG HIS A 22 -0.565 -15.816 -7.418 1.00 0.00 C ATOM 310 ND1 HIS A 22 0.199 -16.075 -6.300 1.00 0.00 N ATOM 311 CD2 HIS A 22 0.138 -16.295 -8.471 1.00 0.00 C ATOM 312 CE1 HIS A 22 1.315 -16.682 -6.662 1.00 0.00 C ATOM 313 NE2 HIS A 22 1.302 -16.828 -7.975 1.00 0.00 N ATOM 0 H HIS A 22 -2.665 -17.922 -8.356 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.069 -16.723 -6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.976 -14.434 -8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.954 -14.547 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.161 -16.264 -9.508 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.104 -17.004 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.037 -17.266 -8.530 1.00 0.00 H new ATOM 321 N TYR A 23 -5.465 -15.986 -7.835 1.00 0.00 N ATOM 322 CA TYR A 23 -6.776 -15.352 -7.909 1.00 0.00 C ATOM 323 C TYR A 23 -7.679 -15.833 -6.777 1.00 0.00 C ATOM 324 O TYR A 23 -8.851 -16.141 -6.991 1.00 0.00 O ATOM 325 CB TYR A 23 -7.433 -15.645 -9.259 1.00 0.00 C ATOM 326 CG TYR A 23 -7.827 -17.093 -9.438 1.00 0.00 C ATOM 327 CD1 TYR A 23 -6.902 -18.039 -9.863 1.00 0.00 C ATOM 328 CD2 TYR A 23 -9.126 -17.517 -9.183 1.00 0.00 C ATOM 329 CE1 TYR A 23 -7.258 -19.363 -10.029 1.00 0.00 C ATOM 330 CE2 TYR A 23 -9.491 -18.839 -9.345 1.00 0.00 C ATOM 331 CZ TYR A 23 -8.553 -19.759 -9.768 1.00 0.00 C ATOM 332 OH TYR A 23 -8.912 -21.077 -9.931 1.00 0.00 O ATOM 0 H TYR A 23 -5.454 -16.967 -8.115 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.636 -14.276 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.320 -15.020 -9.366 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.746 -15.363 -10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.886 -17.733 -10.067 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.863 -16.800 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.526 -20.084 -10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.505 -19.151 -9.142 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.859 -21.189 -9.704 1.00 0.00 H new ATOM 342 N SER A 24 -7.123 -15.894 -5.571 1.00 0.00 N ATOM 343 CA SER A 24 -7.875 -16.341 -4.404 1.00 0.00 C ATOM 344 C SER A 24 -8.575 -15.166 -3.727 1.00 0.00 C ATOM 345 O SER A 24 -9.791 -15.181 -3.534 1.00 0.00 O ATOM 346 CB SER A 24 -6.946 -17.039 -3.409 1.00 0.00 C ATOM 347 OG SER A 24 -6.284 -18.136 -4.012 1.00 0.00 O ATOM 0 H SER A 24 -6.155 -15.640 -5.377 1.00 0.00 H new ATOM 0 HA SER A 24 -8.633 -17.049 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.210 -16.328 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.522 -17.385 -2.551 1.00 0.00 H new ATOM 0 HG SER A 24 -5.695 -18.564 -3.356 1.00 0.00 H new ATOM 353 N ASP A 25 -7.798 -14.150 -3.368 1.00 0.00 N ATOM 354 CA ASP A 25 -8.342 -12.966 -2.713 1.00 0.00 C ATOM 355 C ASP A 25 -7.338 -11.818 -2.746 1.00 0.00 C ATOM 356 O ASP A 25 -6.200 -11.987 -3.184 1.00 0.00 O ATOM 357 CB ASP A 25 -8.723 -13.287 -1.267 1.00 0.00 C ATOM 358 CG ASP A 25 -7.511 -13.536 -0.391 1.00 0.00 C ATOM 359 OD1 ASP A 25 -6.515 -14.091 -0.900 1.00 0.00 O ATOM 360 OD2 ASP A 25 -7.558 -13.176 0.803 1.00 0.00 O ATOM 0 H ASP A 25 -6.790 -14.122 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.236 -12.658 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.302 -12.461 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.367 -14.167 -1.251 1.00 0.00 H new ATOM 365 N ARG A 26 -7.768 -10.650 -2.280 1.00 0.00 N ATOM 366 CA ARG A 26 -6.908 -9.473 -2.258 1.00 0.00 C ATOM 367 C ARG A 26 -6.899 -8.832 -0.873 1.00 0.00 C ATOM 368 O ARG A 26 -7.823 -8.103 -0.508 1.00 0.00 O ATOM 369 CB ARG A 26 -7.373 -8.455 -3.300 1.00 0.00 C ATOM 370 CG ARG A 26 -7.570 -9.048 -4.685 1.00 0.00 C ATOM 371 CD ARG A 26 -6.240 -9.315 -5.372 1.00 0.00 C ATOM 372 NE ARG A 26 -6.399 -10.122 -6.579 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.493 -10.178 -7.549 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.371 -9.478 -7.455 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.710 -10.935 -8.617 1.00 0.00 N ATOM 0 H ARG A 26 -8.707 -10.494 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.894 -9.791 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.311 -8.010 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.642 -7.649 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.133 -9.978 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.164 -8.366 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.768 -8.367 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.571 -9.826 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.252 -10.672 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.201 -8.894 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.678 -9.523 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.573 -11.474 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.014 -10.978 -9.362 1.00 0.00 H new ATOM 389 N THR A 27 -5.850 -9.108 -0.105 1.00 0.00 N ATOM 390 CA THR A 27 -5.722 -8.560 1.240 1.00 0.00 C ATOM 391 C THR A 27 -4.377 -7.868 1.426 1.00 0.00 C ATOM 392 O THR A 27 -3.346 -8.358 0.963 1.00 0.00 O ATOM 393 CB THR A 27 -5.874 -9.657 2.310 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.444 -10.918 1.785 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.318 -9.763 2.776 1.00 0.00 C ATOM 0 H THR A 27 -5.076 -9.708 -0.391 1.00 0.00 H new ATOM 0 HA THR A 27 -6.523 -7.830 1.362 1.00 0.00 H new ATOM 0 HB THR A 27 -5.252 -9.388 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.227 -11.464 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.400 -10.544 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.633 -8.811 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.957 -10.010 1.928 1.00 0.00 H new ATOM 403 N CYS A 28 -4.393 -6.726 2.105 1.00 0.00 N ATOM 404 CA CYS A 28 -3.174 -5.966 2.353 1.00 0.00 C ATOM 405 C CYS A 28 -2.058 -6.876 2.859 1.00 0.00 C ATOM 406 O CYS A 28 -2.317 -7.947 3.406 1.00 0.00 O ATOM 407 CB CYS A 28 -3.440 -4.853 3.369 1.00 0.00 C ATOM 408 SG CYS A 28 -2.130 -3.590 3.447 1.00 0.00 S ATOM 0 H CYS A 28 -5.238 -6.306 2.494 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.856 -5.520 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.384 -4.367 3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.560 -5.298 4.357 1.00 0.00 H new ATOM 413 N ALA A 29 -0.817 -6.440 2.672 1.00 0.00 N ATOM 414 CA ALA A 29 0.338 -7.214 3.110 1.00 0.00 C ATOM 415 C ALA A 29 0.911 -6.657 4.410 1.00 0.00 C ATOM 416 O ALA A 29 1.893 -7.176 4.939 1.00 0.00 O ATOM 417 CB ALA A 29 1.405 -7.231 2.026 1.00 0.00 C ATOM 0 H ALA A 29 -0.586 -5.555 2.220 1.00 0.00 H new ATOM 0 HA ALA A 29 0.009 -8.236 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.261 -7.813 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.997 -7.682 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.722 -6.210 1.811 1.00 0.00 H new ATOM 423 N ARG A 30 0.290 -5.597 4.918 1.00 0.00 N ATOM 424 CA ARG A 30 0.739 -4.968 6.154 1.00 0.00 C ATOM 425 C ARG A 30 -0.378 -4.953 7.193 1.00 0.00 C ATOM 426 O ARG A 30 -0.125 -5.063 8.394 1.00 0.00 O ATOM 427 CB ARG A 30 1.216 -3.541 5.881 1.00 0.00 C ATOM 428 CG ARG A 30 2.260 -3.447 4.781 1.00 0.00 C ATOM 429 CD ARG A 30 3.591 -4.034 5.224 1.00 0.00 C ATOM 430 NE ARG A 30 3.686 -5.461 4.926 1.00 0.00 N ATOM 431 CZ ARG A 30 4.390 -6.319 5.656 1.00 0.00 C ATOM 432 NH1 ARG A 30 5.057 -5.897 6.721 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.427 -7.602 5.321 1.00 0.00 N ATOM 0 H ARG A 30 -0.525 -5.156 4.492 1.00 0.00 H new ATOM 0 HA ARG A 30 1.571 -5.552 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.358 -2.926 5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.629 -3.123 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.905 -3.974 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.398 -2.404 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.404 -3.505 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.717 -3.878 6.295 1.00 0.00 H new ATOM 0 HE ARG A 30 3.184 -5.818 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.030 -4.911 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.597 -6.558 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.915 -7.930 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.968 -8.260 5.882 1.00 0.00 H new ATOM 447 N CYS A 31 -1.613 -4.817 6.724 1.00 0.00 N ATOM 448 CA CYS A 31 -2.770 -4.786 7.612 1.00 0.00 C ATOM 449 C CYS A 31 -3.736 -5.922 7.286 1.00 0.00 C ATOM 450 O CYS A 31 -4.697 -6.160 8.016 1.00 0.00 O ATOM 451 CB CYS A 31 -3.490 -3.441 7.499 1.00 0.00 C ATOM 452 SG CYS A 31 -4.275 -3.152 5.881 1.00 0.00 S ATOM 0 H CYS A 31 -1.839 -4.726 5.734 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.416 -4.916 8.635 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.252 -3.382 8.276 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.775 -2.641 7.692 1.00 0.00 H new ATOM 457 N GLN A 32 -3.471 -6.619 6.186 1.00 0.00 N ATOM 458 CA GLN A 32 -4.317 -7.729 5.764 1.00 0.00 C ATOM 459 C GLN A 32 -5.787 -7.323 5.762 1.00 0.00 C ATOM 460 O GLN A 32 -6.649 -8.080 6.206 1.00 0.00 O ATOM 461 CB GLN A 32 -4.109 -8.934 6.683 1.00 0.00 C ATOM 462 CG GLN A 32 -2.803 -9.671 6.434 1.00 0.00 C ATOM 463 CD GLN A 32 -2.955 -10.812 5.447 1.00 0.00 C ATOM 464 OE1 GLN A 32 -2.871 -11.983 5.816 1.00 0.00 O ATOM 465 NE2 GLN A 32 -3.182 -10.474 4.183 1.00 0.00 N ATOM 0 H GLN A 32 -2.678 -6.435 5.571 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.034 -8.003 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.135 -8.598 7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.939 -9.628 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.059 -8.968 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.425 -10.061 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.244 -9.490 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.294 -11.198 3.474 1.00 0.00 H new ATOM 474 N GLU A 33 -6.064 -6.124 5.259 1.00 0.00 N ATOM 475 CA GLU A 33 -7.430 -5.618 5.201 1.00 0.00 C ATOM 476 C GLU A 33 -8.119 -6.058 3.912 1.00 0.00 C ATOM 477 O GLU A 33 -7.501 -6.676 3.045 1.00 0.00 O ATOM 478 CB GLU A 33 -7.437 -4.092 5.300 1.00 0.00 C ATOM 479 CG GLU A 33 -7.389 -3.574 6.728 1.00 0.00 C ATOM 480 CD GLU A 33 -8.630 -3.936 7.521 1.00 0.00 C ATOM 481 OE1 GLU A 33 -9.654 -3.236 7.370 1.00 0.00 O ATOM 482 OE2 GLU A 33 -8.578 -4.917 8.292 1.00 0.00 O ATOM 0 H GLU A 33 -5.361 -5.486 4.886 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.980 -6.032 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.583 -3.697 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.334 -3.709 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.511 -3.981 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.274 -2.490 6.714 1.00 0.00 H new ATOM 489 N SER A 34 -9.403 -5.736 3.794 1.00 0.00 N ATOM 490 CA SER A 34 -10.178 -6.101 2.614 1.00 0.00 C ATOM 491 C SER A 34 -10.052 -5.034 1.530 1.00 0.00 C ATOM 492 O SER A 34 -10.685 -3.981 1.603 1.00 0.00 O ATOM 493 CB SER A 34 -11.649 -6.297 2.984 1.00 0.00 C ATOM 494 OG SER A 34 -12.425 -6.613 1.842 1.00 0.00 O ATOM 0 H SER A 34 -9.929 -5.223 4.501 1.00 0.00 H new ATOM 0 HA SER A 34 -9.781 -7.039 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.739 -7.096 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.034 -5.390 3.449 1.00 0.00 H new ATOM 0 HG SER A 34 -13.361 -6.735 2.106 1.00 0.00 H new ATOM 500 N LEU A 35 -9.230 -5.316 0.525 1.00 0.00 N ATOM 501 CA LEU A 35 -9.020 -4.382 -0.575 1.00 0.00 C ATOM 502 C LEU A 35 -10.044 -4.605 -1.683 1.00 0.00 C ATOM 503 O LEU A 35 -9.785 -4.317 -2.850 1.00 0.00 O ATOM 504 CB LEU A 35 -7.605 -4.534 -1.136 1.00 0.00 C ATOM 505 CG LEU A 35 -6.469 -4.497 -0.112 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.295 -5.338 -0.587 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.031 -3.062 0.145 1.00 0.00 C ATOM 0 H LEU A 35 -8.699 -6.183 0.449 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.145 -3.371 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.550 -5.479 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.437 -3.740 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.835 -4.918 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.497 -5.300 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.617 -6.371 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.928 -4.947 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.222 -3.054 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.683 -2.615 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.874 -2.488 0.530 1.00 0.00 H new ATOM 519 N GLY A 36 -11.212 -5.118 -1.307 1.00 0.00 N ATOM 520 CA GLY A 36 -12.259 -5.370 -2.279 1.00 0.00 C ATOM 521 C GLY A 36 -12.561 -4.154 -3.133 1.00 0.00 C ATOM 522 O GLY A 36 -12.474 -4.212 -4.360 1.00 0.00 O ATOM 0 H GLY A 36 -11.451 -5.363 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.961 -6.198 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.166 -5.680 -1.760 1.00 0.00 H new ATOM 526 N ARG A 37 -12.919 -3.051 -2.485 1.00 0.00 N ATOM 527 CA ARG A 37 -13.238 -1.817 -3.193 1.00 0.00 C ATOM 528 C ARG A 37 -11.999 -1.248 -3.879 1.00 0.00 C ATOM 529 O ARG A 37 -12.044 -0.867 -5.049 1.00 0.00 O ATOM 530 CB ARG A 37 -13.818 -0.784 -2.226 1.00 0.00 C ATOM 531 CG ARG A 37 -15.120 -1.222 -1.576 1.00 0.00 C ATOM 532 CD ARG A 37 -15.292 -0.602 -0.198 1.00 0.00 C ATOM 533 NE ARG A 37 -16.699 -0.438 0.157 1.00 0.00 N ATOM 534 CZ ARG A 37 -17.444 -1.409 0.672 1.00 0.00 C ATOM 535 NH1 ARG A 37 -16.920 -2.607 0.892 1.00 0.00 N ATOM 536 NH2 ARG A 37 -18.718 -1.183 0.970 1.00 0.00 N ATOM 0 H ARG A 37 -12.996 -2.986 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.981 -2.048 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.085 -0.576 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.986 0.150 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.959 -0.937 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.138 -2.309 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.801 -1.230 0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.796 0.368 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.133 0.472 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.942 -2.785 0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.495 -3.350 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.125 -0.263 0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.289 -1.930 1.366 1.00 0.00 H new ATOM 550 N LEU A 38 -10.894 -1.194 -3.143 1.00 0.00 N ATOM 551 CA LEU A 38 -9.642 -0.671 -3.679 1.00 0.00 C ATOM 552 C LEU A 38 -9.140 -1.536 -4.831 1.00 0.00 C ATOM 553 O LEU A 38 -9.541 -2.692 -4.973 1.00 0.00 O ATOM 554 CB LEU A 38 -8.582 -0.603 -2.578 1.00 0.00 C ATOM 555 CG LEU A 38 -8.628 0.633 -1.679 1.00 0.00 C ATOM 556 CD1 LEU A 38 -7.732 0.443 -0.465 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.218 1.875 -2.457 1.00 0.00 C ATOM 0 H LEU A 38 -10.840 -1.506 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.829 0.334 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.681 -1.488 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.598 -0.652 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.652 0.768 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.777 1.332 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.071 -0.422 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.705 0.282 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.257 2.745 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.203 1.750 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.900 2.022 -3.294 1.00 0.00 H new ATOM 569 N SER A 39 -8.259 -0.970 -5.649 1.00 0.00 N ATOM 570 CA SER A 39 -7.703 -1.688 -6.790 1.00 0.00 C ATOM 571 C SER A 39 -6.357 -2.311 -6.435 1.00 0.00 C ATOM 572 O SER A 39 -5.352 -1.622 -6.261 1.00 0.00 O ATOM 573 CB SER A 39 -7.543 -0.746 -7.985 1.00 0.00 C ATOM 574 OG SER A 39 -8.800 -0.440 -8.565 1.00 0.00 O ATOM 0 H SER A 39 -7.915 -0.016 -5.543 1.00 0.00 H new ATOM 0 HA SER A 39 -8.395 -2.487 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.053 0.174 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.897 -1.207 -8.732 1.00 0.00 H new ATOM 0 HG SER A 39 -8.671 0.165 -9.325 1.00 0.00 H new ATOM 580 N PRO A 40 -6.335 -3.648 -6.325 1.00 0.00 N ATOM 581 CA PRO A 40 -5.119 -4.395 -5.991 1.00 0.00 C ATOM 582 C PRO A 40 -4.096 -4.373 -7.122 1.00 0.00 C ATOM 583 O PRO A 40 -2.898 -4.543 -6.893 1.00 0.00 O ATOM 584 CB PRO A 40 -5.629 -5.819 -5.760 1.00 0.00 C ATOM 585 CG PRO A 40 -6.884 -5.906 -6.559 1.00 0.00 C ATOM 586 CD PRO A 40 -7.496 -4.533 -6.520 1.00 0.00 C ATOM 0 HA PRO A 40 -4.602 -3.968 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.899 -6.559 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.819 -6.005 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.674 -6.210 -7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.563 -6.648 -6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.026 -4.303 -7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.216 -4.437 -5.707 1.00 0.00 H new ATOM 594 N LYS A 41 -4.575 -4.163 -8.343 1.00 0.00 N ATOM 595 CA LYS A 41 -3.703 -4.117 -9.511 1.00 0.00 C ATOM 596 C LYS A 41 -2.723 -2.952 -9.412 1.00 0.00 C ATOM 597 O LYS A 41 -1.514 -3.128 -9.570 1.00 0.00 O ATOM 598 CB LYS A 41 -4.534 -3.991 -10.789 1.00 0.00 C ATOM 599 CG LYS A 41 -3.857 -4.579 -12.015 1.00 0.00 C ATOM 600 CD LYS A 41 -2.887 -3.593 -12.644 1.00 0.00 C ATOM 601 CE LYS A 41 -2.246 -4.165 -13.899 1.00 0.00 C ATOM 602 NZ LYS A 41 -0.876 -3.624 -14.118 1.00 0.00 N ATOM 0 H LYS A 41 -5.564 -4.022 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.134 -5.046 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.492 -4.488 -10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.747 -2.938 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.324 -5.488 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.613 -4.865 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.413 -2.671 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.111 -3.334 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.199 -5.251 -13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.870 -3.935 -14.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.473 -4.038 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.923 -2.590 -14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.273 -3.866 -13.306 1.00 0.00 H new ATOM 616 N THR A 42 -3.251 -1.761 -9.149 1.00 0.00 N ATOM 617 CA THR A 42 -2.423 -0.567 -9.028 1.00 0.00 C ATOM 618 C THR A 42 -1.894 -0.406 -7.608 1.00 0.00 C ATOM 619 O THR A 42 -0.926 0.317 -7.374 1.00 0.00 O ATOM 620 CB THR A 42 -3.205 0.701 -9.420 1.00 0.00 C ATOM 621 OG1 THR A 42 -4.454 0.742 -8.720 1.00 0.00 O ATOM 622 CG2 THR A 42 -3.457 0.740 -10.920 1.00 0.00 C ATOM 0 H THR A 42 -4.249 -1.597 -9.016 1.00 0.00 H new ATOM 0 HA THR A 42 -1.584 -0.694 -9.712 1.00 0.00 H new ATOM 0 HB THR A 42 -2.606 1.570 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.944 1.552 -8.973 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.011 1.644 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.504 0.738 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.037 -0.135 -11.214 1.00 0.00 H new ATOM 630 N ASN A 43 -2.535 -1.085 -6.662 1.00 0.00 N ATOM 631 CA ASN A 43 -2.128 -1.016 -5.263 1.00 0.00 C ATOM 632 C ASN A 43 -0.983 -1.984 -4.982 1.00 0.00 C ATOM 633 O ASN A 43 -0.912 -2.585 -3.909 1.00 0.00 O ATOM 634 CB ASN A 43 -3.314 -1.332 -4.349 1.00 0.00 C ATOM 635 CG ASN A 43 -4.276 -0.167 -4.227 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.037 0.910 -4.774 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.372 -0.377 -3.507 1.00 0.00 N ATOM 0 H ASN A 43 -3.338 -1.689 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.782 -0.002 -5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.847 -2.200 -4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.945 -1.600 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.056 0.370 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.530 -1.286 -3.071 1.00 0.00 H new ATOM 644 N THR A 44 -0.086 -2.130 -5.953 1.00 0.00 N ATOM 645 CA THR A 44 1.056 -3.024 -5.811 1.00 0.00 C ATOM 646 C THR A 44 2.330 -2.245 -5.507 1.00 0.00 C ATOM 647 O THR A 44 2.733 -1.370 -6.273 1.00 0.00 O ATOM 648 CB THR A 44 1.273 -3.865 -7.083 1.00 0.00 C ATOM 649 OG1 THR A 44 0.105 -4.646 -7.359 1.00 0.00 O ATOM 650 CG2 THR A 44 2.477 -4.781 -6.928 1.00 0.00 C ATOM 0 H THR A 44 -0.129 -1.640 -6.847 1.00 0.00 H new ATOM 0 HA THR A 44 0.834 -3.690 -4.978 1.00 0.00 H new ATOM 0 HB THR A 44 1.459 -3.185 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.439 -4.193 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.610 -5.365 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.369 -4.182 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.316 -5.454 -6.086 1.00 0.00 H new ATOM 658 N CYS A 45 2.962 -2.569 -4.383 1.00 0.00 N ATOM 659 CA CYS A 45 4.192 -1.899 -3.977 1.00 0.00 C ATOM 660 C CYS A 45 5.334 -2.233 -4.933 1.00 0.00 C ATOM 661 O CYS A 45 5.785 -3.376 -5.002 1.00 0.00 O ATOM 662 CB CYS A 45 4.570 -2.305 -2.551 1.00 0.00 C ATOM 663 SG CYS A 45 6.282 -1.886 -2.089 1.00 0.00 S ATOM 0 H CYS A 45 2.642 -3.291 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 45 4.019 -0.823 -4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.887 -1.820 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.428 -3.380 -2.441 1.00 0.00 H new ATOM 668 N ARG A 46 5.796 -1.227 -5.667 1.00 0.00 N ATOM 669 CA ARG A 46 6.884 -1.413 -6.619 1.00 0.00 C ATOM 670 C ARG A 46 8.131 -1.948 -5.922 1.00 0.00 C ATOM 671 O ARG A 46 8.999 -2.548 -6.554 1.00 0.00 O ATOM 672 CB ARG A 46 7.207 -0.093 -7.322 1.00 0.00 C ATOM 673 CG ARG A 46 5.992 0.581 -7.940 1.00 0.00 C ATOM 674 CD ARG A 46 5.657 -0.014 -9.299 1.00 0.00 C ATOM 675 NE ARG A 46 4.950 -1.286 -9.180 1.00 0.00 N ATOM 676 CZ ARG A 46 4.841 -2.162 -10.173 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.389 -1.904 -11.352 1.00 0.00 N ATOM 678 NH2 ARG A 46 4.181 -3.298 -9.988 1.00 0.00 N ATOM 0 H ARG A 46 5.434 -0.275 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 46 6.562 -2.143 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.664 0.588 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.946 -0.278 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.136 0.473 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.181 1.649 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.044 0.690 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.576 -0.162 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 46 4.516 -1.515 -8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.896 -1.031 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.304 -2.578 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.757 -3.500 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.098 -3.970 -10.751 1.00 0.00 H new ATOM 692 N GLY A 47 8.213 -1.726 -4.614 1.00 0.00 N ATOM 693 CA GLY A 47 9.357 -2.192 -3.852 1.00 0.00 C ATOM 694 C GLY A 47 9.435 -3.704 -3.790 1.00 0.00 C ATOM 695 O GLY A 47 10.380 -4.306 -4.302 1.00 0.00 O ATOM 0 H GLY A 47 7.507 -1.232 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.271 -1.802 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.302 -1.792 -2.839 1.00 0.00 H new ATOM 699 N CYS A 48 8.442 -4.321 -3.159 1.00 0.00 N ATOM 700 CA CYS A 48 8.402 -5.773 -3.029 1.00 0.00 C ATOM 701 C CYS A 48 7.268 -6.362 -3.862 1.00 0.00 C ATOM 702 O CYS A 48 6.836 -7.491 -3.630 1.00 0.00 O ATOM 703 CB CYS A 48 8.231 -6.169 -1.561 1.00 0.00 C ATOM 704 SG CYS A 48 6.847 -5.334 -0.721 1.00 0.00 S ATOM 0 H CYS A 48 7.653 -3.838 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 48 9.346 -6.173 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.080 -7.247 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.154 -5.946 -1.026 1.00 0.00 H new ATOM 709 N ASN A 49 6.790 -5.590 -4.832 1.00 0.00 N ATOM 710 CA ASN A 49 5.706 -6.036 -5.700 1.00 0.00 C ATOM 711 C ASN A 49 4.635 -6.771 -4.899 1.00 0.00 C ATOM 712 O ASN A 49 4.092 -7.780 -5.349 1.00 0.00 O ATOM 713 CB ASN A 49 6.249 -6.946 -6.803 1.00 0.00 C ATOM 714 CG ASN A 49 6.687 -6.170 -8.030 1.00 0.00 C ATOM 715 OD1 ASN A 49 5.904 -5.427 -8.621 1.00 0.00 O ATOM 716 ND2 ASN A 49 7.946 -6.340 -8.418 1.00 0.00 N ATOM 0 H ASN A 49 7.136 -4.653 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 49 5.253 -5.155 -6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.094 -7.516 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.481 -7.666 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.299 -5.844 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.560 -6.966 -7.897 1.00 0.00 H new ATOM 723 N HIS A 50 4.337 -6.258 -3.710 1.00 0.00 N ATOM 724 CA HIS A 50 3.331 -6.865 -2.846 1.00 0.00 C ATOM 725 C HIS A 50 2.000 -6.127 -2.960 1.00 0.00 C ATOM 726 O HIS A 50 1.863 -5.190 -3.749 1.00 0.00 O ATOM 727 CB HIS A 50 3.806 -6.862 -1.393 1.00 0.00 C ATOM 728 CG HIS A 50 4.647 -8.049 -1.035 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.517 -9.276 -1.651 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.634 -8.191 -0.120 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.387 -10.122 -1.129 1.00 0.00 C ATOM 732 NE2 HIS A 50 6.077 -9.488 -0.197 1.00 0.00 N ATOM 0 H HIS A 50 4.778 -5.424 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 50 3.184 -7.895 -3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.378 -5.953 -1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.937 -6.831 -0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.004 -7.426 0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.513 -11.156 -1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.818 -9.896 0.373 1.00 0.00 H new ATOM 740 N LEU A 51 1.022 -6.555 -2.169 1.00 0.00 N ATOM 741 CA LEU A 51 -0.298 -5.935 -2.182 1.00 0.00 C ATOM 742 C LEU A 51 -0.553 -5.170 -0.887 1.00 0.00 C ATOM 743 O LEU A 51 -0.600 -5.757 0.194 1.00 0.00 O ATOM 744 CB LEU A 51 -1.380 -6.997 -2.381 1.00 0.00 C ATOM 745 CG LEU A 51 -2.815 -6.558 -2.088 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.232 -5.437 -3.028 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.769 -7.737 -2.205 1.00 0.00 C ATOM 0 H LEU A 51 1.118 -7.328 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.333 -5.230 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.332 -7.347 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.145 -7.850 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.858 -6.183 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.256 -5.137 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.567 -4.584 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.172 -5.786 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.785 -7.405 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.723 -8.143 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.483 -8.509 -1.490 1.00 0.00 H new ATOM 759 N VAL A 52 -0.719 -3.856 -1.004 1.00 0.00 N ATOM 760 CA VAL A 52 -0.973 -3.011 0.156 1.00 0.00 C ATOM 761 C VAL A 52 -1.985 -1.918 -0.170 1.00 0.00 C ATOM 762 O VAL A 52 -2.116 -1.502 -1.322 1.00 0.00 O ATOM 763 CB VAL A 52 0.324 -2.358 0.669 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.990 -3.241 1.714 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.273 -2.078 -0.487 1.00 0.00 C ATOM 0 H VAL A 52 -0.682 -3.354 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.379 -3.657 0.935 1.00 0.00 H new ATOM 0 HB VAL A 52 0.070 -1.408 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.905 -2.763 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.311 -3.386 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.232 -4.208 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.184 -1.617 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.522 -3.013 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.794 -1.403 -1.196 1.00 0.00 H new ATOM 775 N CYS A 53 -2.699 -1.456 0.851 1.00 0.00 N ATOM 776 CA CYS A 53 -3.699 -0.411 0.674 1.00 0.00 C ATOM 777 C CYS A 53 -3.038 0.957 0.533 1.00 0.00 C ATOM 778 O CYS A 53 -1.823 1.089 0.682 1.00 0.00 O ATOM 779 CB CYS A 53 -4.671 -0.401 1.855 1.00 0.00 C ATOM 780 SG CYS A 53 -3.896 0.010 3.452 1.00 0.00 S ATOM 0 H CYS A 53 -2.603 -1.789 1.810 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.252 -0.623 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.465 0.318 1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.141 -1.381 1.933 1.00 0.00 H new ATOM 785 N ARG A 54 -3.846 1.972 0.246 1.00 0.00 N ATOM 786 CA ARG A 54 -3.340 3.330 0.085 1.00 0.00 C ATOM 787 C ARG A 54 -2.987 3.943 1.437 1.00 0.00 C ATOM 788 O ARG A 54 -2.609 5.112 1.520 1.00 0.00 O ATOM 789 CB ARG A 54 -4.376 4.202 -0.627 1.00 0.00 C ATOM 790 CG ARG A 54 -5.534 4.622 0.263 1.00 0.00 C ATOM 791 CD ARG A 54 -6.071 5.990 -0.129 1.00 0.00 C ATOM 792 NE ARG A 54 -7.102 6.457 0.793 1.00 0.00 N ATOM 793 CZ ARG A 54 -7.400 7.739 0.973 1.00 0.00 C ATOM 794 NH1 ARG A 54 -6.749 8.676 0.298 1.00 0.00 N ATOM 795 NH2 ARG A 54 -8.352 8.086 1.830 1.00 0.00 N ATOM 0 H ARG A 54 -4.854 1.880 0.120 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.435 3.284 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.883 5.094 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.768 3.657 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.333 3.883 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.206 4.643 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.252 6.709 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.481 5.943 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.622 5.761 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.017 8.413 -0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.980 9.659 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.856 7.368 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.580 9.071 1.968 1.00 0.00 H new ATOM 809 N ASP A 55 -3.113 3.146 2.493 1.00 0.00 N ATOM 810 CA ASP A 55 -2.806 3.610 3.841 1.00 0.00 C ATOM 811 C ASP A 55 -1.499 3.003 4.340 1.00 0.00 C ATOM 812 O ASP A 55 -0.896 3.498 5.293 1.00 0.00 O ATOM 813 CB ASP A 55 -3.946 3.254 4.797 1.00 0.00 C ATOM 814 CG ASP A 55 -3.844 3.989 6.119 1.00 0.00 C ATOM 815 OD1 ASP A 55 -2.797 3.865 6.788 1.00 0.00 O ATOM 816 OD2 ASP A 55 -4.811 4.690 6.483 1.00 0.00 O ATOM 0 H ASP A 55 -3.425 2.176 2.441 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.693 4.694 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.899 3.492 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.940 2.180 4.981 1.00 0.00 H new ATOM 821 N CYS A 56 -1.066 1.927 3.692 1.00 0.00 N ATOM 822 CA CYS A 56 0.168 1.250 4.070 1.00 0.00 C ATOM 823 C CYS A 56 1.263 1.497 3.035 1.00 0.00 C ATOM 824 O CYS A 56 2.170 0.682 2.869 1.00 0.00 O ATOM 825 CB CYS A 56 -0.075 -0.253 4.221 1.00 0.00 C ATOM 826 SG CYS A 56 -1.126 -0.696 5.642 1.00 0.00 S ATOM 0 H CYS A 56 -1.553 1.505 2.901 1.00 0.00 H new ATOM 0 HA CYS A 56 0.497 1.656 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.538 -0.629 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.886 -0.757 4.322 1.00 0.00 H new ATOM 831 N ARG A 57 1.171 2.628 2.343 1.00 0.00 N ATOM 832 CA ARG A 57 2.152 2.983 1.325 1.00 0.00 C ATOM 833 C ARG A 57 2.606 4.431 1.488 1.00 0.00 C ATOM 834 O ARG A 57 2.017 5.193 2.255 1.00 0.00 O ATOM 835 CB ARG A 57 1.565 2.776 -0.073 1.00 0.00 C ATOM 836 CG ARG A 57 0.093 3.142 -0.176 1.00 0.00 C ATOM 837 CD ARG A 57 -0.092 4.580 -0.634 1.00 0.00 C ATOM 838 NE ARG A 57 0.521 4.823 -1.937 1.00 0.00 N ATOM 839 CZ ARG A 57 0.172 5.823 -2.739 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.781 6.669 -2.372 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.777 5.978 -3.909 1.00 0.00 N ATOM 0 H ARG A 57 0.427 3.314 2.469 1.00 0.00 H new ATOM 0 HA ARG A 57 3.018 2.333 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.130 3.374 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.692 1.732 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.402 2.469 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.386 3.003 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.156 4.810 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.344 5.254 0.103 1.00 0.00 H new ATOM 0 HE ARG A 57 1.258 4.190 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.248 6.553 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.047 7.436 -2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.511 5.329 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.508 6.746 -4.524 1.00 0.00 H new ATOM 855 N ILE A 58 3.656 4.801 0.763 1.00 0.00 N ATOM 856 CA ILE A 58 4.188 6.157 0.828 1.00 0.00 C ATOM 857 C ILE A 58 4.489 6.696 -0.566 1.00 0.00 C ATOM 858 O ILE A 58 5.332 6.155 -1.282 1.00 0.00 O ATOM 859 CB ILE A 58 5.471 6.218 1.678 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.198 5.696 3.090 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.006 7.641 1.727 1.00 0.00 C ATOM 862 CD1 ILE A 58 5.287 4.191 3.206 1.00 0.00 C ATOM 0 H ILE A 58 4.155 4.182 0.124 1.00 0.00 H new ATOM 0 HA ILE A 58 3.422 6.775 1.297 1.00 0.00 H new ATOM 0 HB ILE A 58 6.227 5.583 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.911 6.148 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.204 6.018 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.913 7.668 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.233 7.979 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.256 8.297 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.082 3.893 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.555 3.731 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.288 3.863 2.926 1.00 0.00 H new ATOM 874 N GLN A 59 3.796 7.765 -0.944 1.00 0.00 N ATOM 875 CA GLN A 59 3.991 8.378 -2.253 1.00 0.00 C ATOM 876 C GLN A 59 5.368 9.026 -2.351 1.00 0.00 C ATOM 877 O GLN A 59 5.734 9.856 -1.520 1.00 0.00 O ATOM 878 CB GLN A 59 2.903 9.421 -2.517 1.00 0.00 C ATOM 879 CG GLN A 59 1.637 8.839 -3.124 1.00 0.00 C ATOM 880 CD GLN A 59 1.681 8.799 -4.639 1.00 0.00 C ATOM 881 OE1 GLN A 59 2.754 8.829 -5.241 1.00 0.00 O ATOM 882 NE2 GLN A 59 0.511 8.730 -5.263 1.00 0.00 N ATOM 0 H GLN A 59 3.095 8.225 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 59 3.925 7.594 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.652 9.917 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.299 10.185 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.486 7.829 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.780 9.432 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.354 8.707 -4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.477 8.700 -6.282 1.00 0.00 H new ATOM 891 N GLU A 60 6.127 8.639 -3.372 1.00 0.00 N ATOM 892 CA GLU A 60 7.464 9.182 -3.577 1.00 0.00 C ATOM 893 C GLU A 60 7.428 10.372 -4.531 1.00 0.00 C ATOM 894 O GLU A 60 6.808 10.312 -5.593 1.00 0.00 O ATOM 895 CB GLU A 60 8.398 8.102 -4.127 1.00 0.00 C ATOM 896 CG GLU A 60 8.798 7.060 -3.096 1.00 0.00 C ATOM 897 CD GLU A 60 10.142 6.426 -3.397 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.517 6.365 -4.586 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.820 5.992 -2.442 1.00 0.00 O ATOM 0 H GLU A 60 5.839 7.952 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 60 7.841 9.523 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.910 7.603 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.297 8.577 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.832 7.524 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.035 6.283 -3.056 1.00 0.00 H new ATOM 906 N SER A 61 8.096 11.454 -4.144 1.00 0.00 N ATOM 907 CA SER A 61 8.137 12.661 -4.961 1.00 0.00 C ATOM 908 C SER A 61 8.307 12.311 -6.437 1.00 0.00 C ATOM 909 O SER A 61 7.580 12.814 -7.292 1.00 0.00 O ATOM 910 CB SER A 61 9.279 13.572 -4.507 1.00 0.00 C ATOM 911 OG SER A 61 9.024 14.106 -3.219 1.00 0.00 O ATOM 0 H SER A 61 8.616 11.519 -3.269 1.00 0.00 H new ATOM 0 HA SER A 61 7.191 13.187 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.213 13.010 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.407 14.385 -5.222 1.00 0.00 H new ATOM 0 HG SER A 61 9.769 14.683 -2.951 1.00 0.00 H new ATOM 917 N ASN A 62 9.273 11.445 -6.726 1.00 0.00 N ATOM 918 CA ASN A 62 9.540 11.028 -8.098 1.00 0.00 C ATOM 919 C ASN A 62 8.248 10.635 -8.808 1.00 0.00 C ATOM 920 O ASN A 62 8.022 11.007 -9.959 1.00 0.00 O ATOM 921 CB ASN A 62 10.521 9.855 -8.114 1.00 0.00 C ATOM 922 CG ASN A 62 10.558 9.151 -9.457 1.00 0.00 C ATOM 923 OD1 ASN A 62 10.418 9.782 -10.505 1.00 0.00 O ATOM 924 ND2 ASN A 62 10.748 7.837 -9.431 1.00 0.00 N ATOM 0 H ASN A 62 9.884 11.019 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 62 9.983 11.871 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.520 10.217 -7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.242 9.140 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.783 7.309 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.859 7.355 -8.539 1.00 0.00 H new ATOM 931 N GLY A 63 7.402 9.881 -8.112 1.00 0.00 N ATOM 932 CA GLY A 63 6.143 9.450 -8.692 1.00 0.00 C ATOM 933 C GLY A 63 5.727 8.073 -8.215 1.00 0.00 C ATOM 934 O GLY A 63 4.538 7.796 -8.053 1.00 0.00 O ATOM 0 H GLY A 63 7.566 9.561 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.364 10.170 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.230 9.444 -9.778 1.00 0.00 H new ATOM 938 N THR A 64 6.708 7.204 -7.991 1.00 0.00 N ATOM 939 CA THR A 64 6.437 5.847 -7.533 1.00 0.00 C ATOM 940 C THR A 64 5.999 5.836 -6.073 1.00 0.00 C ATOM 941 O THR A 64 5.824 6.890 -5.461 1.00 0.00 O ATOM 942 CB THR A 64 7.674 4.943 -7.693 1.00 0.00 C ATOM 943 OG1 THR A 64 8.771 5.477 -6.943 1.00 0.00 O ATOM 944 CG2 THR A 64 8.067 4.817 -9.157 1.00 0.00 C ATOM 0 H THR A 64 7.697 7.416 -8.119 1.00 0.00 H new ATOM 0 HA THR A 64 5.630 5.459 -8.154 1.00 0.00 H new ATOM 0 HB THR A 64 7.424 3.952 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.553 4.896 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.943 4.174 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.240 4.383 -9.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.300 5.804 -9.557 1.00 0.00 H new ATOM 952 N TRP A 65 5.823 4.641 -5.522 1.00 0.00 N ATOM 953 CA TRP A 65 5.406 4.494 -4.132 1.00 0.00 C ATOM 954 C TRP A 65 5.787 3.121 -3.591 1.00 0.00 C ATOM 955 O TRP A 65 6.022 2.186 -4.357 1.00 0.00 O ATOM 956 CB TRP A 65 3.896 4.705 -4.007 1.00 0.00 C ATOM 957 CG TRP A 65 3.090 3.589 -4.599 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.532 3.552 -5.845 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.750 2.349 -3.969 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.866 2.364 -6.027 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.985 1.608 -4.891 1.00 0.00 C ATOM 962 CE3 TRP A 65 3.018 1.792 -2.716 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.487 0.342 -4.597 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.523 0.534 -2.426 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.765 -0.180 -3.363 1.00 0.00 C ATOM 0 H TRP A 65 5.962 3.760 -6.016 1.00 0.00 H new ATOM 0 HA TRP A 65 5.922 5.251 -3.542 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.637 4.812 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.625 5.640 -4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.604 4.341 -6.579 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.364 2.089 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.601 2.334 -1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.901 -0.209 -5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.724 0.094 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.393 -1.161 -3.107 1.00 0.00 H new ATOM 976 N ARG A 66 5.846 3.006 -2.269 1.00 0.00 N ATOM 977 CA ARG A 66 6.200 1.746 -1.626 1.00 0.00 C ATOM 978 C ARG A 66 5.446 1.576 -0.311 1.00 0.00 C ATOM 979 O ARG A 66 4.826 2.516 0.188 1.00 0.00 O ATOM 980 CB ARG A 66 7.707 1.683 -1.374 1.00 0.00 C ATOM 981 CG ARG A 66 8.485 1.016 -2.497 1.00 0.00 C ATOM 982 CD ARG A 66 9.947 1.434 -2.486 1.00 0.00 C ATOM 983 NE ARG A 66 10.612 1.132 -3.751 1.00 0.00 N ATOM 984 CZ ARG A 66 11.776 1.659 -4.113 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.401 2.510 -3.311 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.318 1.335 -5.281 1.00 0.00 N ATOM 0 H ARG A 66 5.653 3.770 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 66 5.916 0.934 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.086 2.695 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.889 1.142 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.414 -0.067 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.038 1.277 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.017 2.503 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.464 0.923 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 66 10.158 0.481 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.988 2.762 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.295 2.913 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.840 0.681 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.212 1.740 -5.558 1.00 0.00 H new ATOM 1000 N CYS A 67 5.503 0.371 0.246 1.00 0.00 N ATOM 1001 CA CYS A 67 4.825 0.076 1.503 1.00 0.00 C ATOM 1002 C CYS A 67 5.523 0.765 2.672 1.00 0.00 C ATOM 1003 O CYS A 67 6.616 1.312 2.523 1.00 0.00 O ATOM 1004 CB CYS A 67 4.780 -1.435 1.741 1.00 0.00 C ATOM 1005 SG CYS A 67 6.418 -2.232 1.763 1.00 0.00 S ATOM 0 H CYS A 67 6.012 -0.418 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 67 3.806 0.457 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.281 -1.628 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.173 -1.897 0.962 1.00 0.00 H new ATOM 1010 N LYS A 68 4.884 0.735 3.837 1.00 0.00 N ATOM 1011 CA LYS A 68 5.442 1.355 5.033 1.00 0.00 C ATOM 1012 C LYS A 68 6.765 0.701 5.417 1.00 0.00 C ATOM 1013 O LYS A 68 7.662 1.356 5.948 1.00 0.00 O ATOM 1014 CB LYS A 68 4.452 1.250 6.195 1.00 0.00 C ATOM 1015 CG LYS A 68 3.049 1.714 5.843 1.00 0.00 C ATOM 1016 CD LYS A 68 2.922 3.225 5.933 1.00 0.00 C ATOM 1017 CE LYS A 68 2.438 3.664 7.306 1.00 0.00 C ATOM 1018 NZ LYS A 68 1.157 3.001 7.680 1.00 0.00 N ATOM 0 H LYS A 68 3.978 0.287 3.978 1.00 0.00 H new ATOM 0 HA LYS A 68 5.627 2.407 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.409 0.214 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.822 1.843 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.799 1.387 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.331 1.247 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.887 3.685 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.227 3.579 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.199 3.431 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.304 4.746 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.697 3.539 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.529 2.967 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.350 2.033 8.008 1.00 0.00 H new ATOM 1032 N VAL A 69 6.881 -0.595 5.145 1.00 0.00 N ATOM 1033 CA VAL A 69 8.096 -1.337 5.460 1.00 0.00 C ATOM 1034 C VAL A 69 9.210 -1.013 4.471 1.00 0.00 C ATOM 1035 O VAL A 69 10.392 -1.069 4.811 1.00 0.00 O ATOM 1036 CB VAL A 69 7.843 -2.856 5.453 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.123 -3.612 5.775 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.739 -3.218 6.435 1.00 0.00 C ATOM 0 H VAL A 69 6.148 -1.153 4.707 1.00 0.00 H new ATOM 0 HA VAL A 69 8.403 -1.032 6.460 1.00 0.00 H new ATOM 0 HB VAL A 69 7.518 -3.147 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.925 -4.684 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.882 -3.377 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.481 -3.318 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.574 -4.295 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.031 -2.913 7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.819 -2.705 6.154 1.00 0.00 H new ATOM 1048 N CYS A 70 8.825 -0.673 3.246 1.00 0.00 N ATOM 1049 CA CYS A 70 9.790 -0.340 2.205 1.00 0.00 C ATOM 1050 C CYS A 70 10.178 1.134 2.276 1.00 0.00 C ATOM 1051 O CYS A 70 11.341 1.471 2.498 1.00 0.00 O ATOM 1052 CB CYS A 70 9.215 -0.662 0.825 1.00 0.00 C ATOM 1053 SG CYS A 70 9.327 -2.421 0.364 1.00 0.00 S ATOM 0 H CYS A 70 7.850 -0.621 2.949 1.00 0.00 H new ATOM 0 HA CYS A 70 10.684 -0.942 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.169 -0.357 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.739 -0.067 0.077 1.00 0.00 H new ATOM 1058 N SER A 71 9.195 2.009 2.086 1.00 0.00 N ATOM 1059 CA SER A 71 9.434 3.447 2.124 1.00 0.00 C ATOM 1060 C SER A 71 9.767 3.905 3.541 1.00 0.00 C ATOM 1061 O SER A 71 10.575 4.812 3.738 1.00 0.00 O ATOM 1062 CB SER A 71 8.208 4.203 1.607 1.00 0.00 C ATOM 1063 OG SER A 71 8.290 4.412 0.208 1.00 0.00 O ATOM 0 H SER A 71 8.226 1.747 1.904 1.00 0.00 H new ATOM 0 HA SER A 71 10.286 3.666 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.304 3.640 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.127 5.163 2.117 1.00 0.00 H new ATOM 0 HG SER A 71 8.116 5.355 0.007 1.00 0.00 H new ATOM 1069 N GLY A 72 9.139 3.269 4.525 1.00 0.00 N ATOM 1070 CA GLY A 72 9.381 3.624 5.911 1.00 0.00 C ATOM 1071 C GLY A 72 10.629 2.968 6.468 1.00 0.00 C ATOM 1072 O GLY A 72 11.247 2.117 5.828 1.00 0.00 O ATOM 0 H GLY A 72 8.467 2.514 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.475 4.707 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.521 3.332 6.513 1.00 0.00 H new ATOM 1076 N PRO A 73 11.017 3.366 7.688 1.00 0.00 N ATOM 1077 CA PRO A 73 12.203 2.824 8.358 1.00 0.00 C ATOM 1078 C PRO A 73 12.016 1.372 8.784 1.00 0.00 C ATOM 1079 O PRO A 73 11.082 1.046 9.516 1.00 0.00 O ATOM 1080 CB PRO A 73 12.361 3.725 9.585 1.00 0.00 C ATOM 1081 CG PRO A 73 10.990 4.244 9.853 1.00 0.00 C ATOM 1082 CD PRO A 73 10.327 4.375 8.509 1.00 0.00 C ATOM 0 HA PRO A 73 13.074 2.818 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.747 3.168 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.061 4.538 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.434 3.563 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.030 5.206 10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.256 4.181 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.447 5.377 8.098 1.00 0.00 H new ATOM 1090 N SER A 74 12.910 0.504 8.321 1.00 0.00 N ATOM 1091 CA SER A 74 12.841 -0.914 8.652 1.00 0.00 C ATOM 1092 C SER A 74 14.091 -1.358 9.405 1.00 0.00 C ATOM 1093 O SER A 74 15.104 -1.706 8.799 1.00 0.00 O ATOM 1094 CB SER A 74 12.675 -1.749 7.380 1.00 0.00 C ATOM 1095 OG SER A 74 13.750 -1.530 6.483 1.00 0.00 O ATOM 0 H SER A 74 13.691 0.758 7.716 1.00 0.00 H new ATOM 0 HA SER A 74 11.976 -1.069 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.623 -2.806 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.734 -1.494 6.894 1.00 0.00 H new ATOM 0 HG SER A 74 14.592 -1.498 6.983 1.00 0.00 H new ATOM 1101 N SER A 75 14.011 -1.343 10.732 1.00 0.00 N ATOM 1102 CA SER A 75 15.137 -1.739 11.570 1.00 0.00 C ATOM 1103 C SER A 75 14.736 -2.862 12.522 1.00 0.00 C ATOM 1104 O SER A 75 14.317 -2.613 13.651 1.00 0.00 O ATOM 1105 CB SER A 75 15.654 -0.540 12.367 1.00 0.00 C ATOM 1106 OG SER A 75 15.958 0.548 11.511 1.00 0.00 O ATOM 0 H SER A 75 13.179 -1.061 11.250 1.00 0.00 H new ATOM 0 HA SER A 75 15.932 -2.103 10.919 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.905 -0.234 13.097 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.545 -0.827 12.926 1.00 0.00 H new ATOM 0 HG SER A 75 16.285 1.302 12.044 1.00 0.00 H new ATOM 1112 N GLY A 76 14.869 -4.100 12.056 1.00 0.00 N ATOM 1113 CA GLY A 76 14.516 -5.244 12.878 1.00 0.00 C ATOM 1114 C GLY A 76 13.068 -5.213 13.324 1.00 0.00 C ATOM 1115 O GLY A 76 12.788 -5.546 14.474 1.00 0.00 O ATOM 0 H GLY A 76 15.215 -4.332 11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.701 -6.161 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.163 -5.271 13.755 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.932 -1.747 4.607 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.141 -3.076 -0.284 1.00 0.00 ZN