USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 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 35 THR OG1 : rot -32:sc= 1.25 USER MOD Set 1.2: A 41 ASN : amide:sc= 1.05 K(o=2.3,f=-0.97) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.0362 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -141:sc= 0 (180deg=-0.0198) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.3) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0898 (180deg=-0.493) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= -0.0675 (180deg=-0.477) USER MOD Single : A 40 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-5!) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00876) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.204 USER MOD Single : A 49 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.339 USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= 0.00667 (180deg=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0276 (180deg=-0.269) USER MOD Single : A 65 THR OG1 : rot 108:sc= 0.707 USER MOD Single : A 66 SER OG : rot 34:sc= 0.243 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.220 27.058 -16.834 1.00 0.00 N ATOM 2 CA GLY A 1 -14.936 26.767 -15.606 1.00 0.00 C ATOM 3 C GLY A 1 -15.131 25.280 -15.386 1.00 0.00 C ATOM 4 O GLY A 1 -14.173 24.509 -15.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.113 28.087 -16.938 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.280 26.614 -16.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.753 26.682 -17.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.389 27.187 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.909 27.258 -15.631 1.00 0.00 H new ATOM 8 N SER A 2 -16.377 24.876 -15.157 1.00 0.00 N ATOM 9 CA SER A 2 -16.694 23.472 -14.925 1.00 0.00 C ATOM 10 C SER A 2 -17.705 22.967 -15.950 1.00 0.00 C ATOM 11 O SER A 2 -18.308 23.752 -16.682 1.00 0.00 O ATOM 12 CB SER A 2 -17.245 23.279 -13.510 1.00 0.00 C ATOM 13 OG SER A 2 -18.601 23.684 -13.431 1.00 0.00 O ATOM 0 H SER A 2 -17.183 25.501 -15.127 1.00 0.00 H new ATOM 0 HA SER A 2 -15.776 22.895 -15.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.158 22.231 -13.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.648 23.855 -12.802 1.00 0.00 H new ATOM 0 HG SER A 2 -18.930 23.549 -12.518 1.00 0.00 H new ATOM 19 N SER A 3 -17.885 21.651 -15.995 1.00 0.00 N ATOM 20 CA SER A 3 -18.820 21.039 -16.932 1.00 0.00 C ATOM 21 C SER A 3 -20.003 20.420 -16.194 1.00 0.00 C ATOM 22 O SER A 3 -19.990 20.299 -14.970 1.00 0.00 O ATOM 23 CB SER A 3 -18.112 19.972 -17.769 1.00 0.00 C ATOM 24 OG SER A 3 -16.948 20.497 -18.386 1.00 0.00 O ATOM 0 H SER A 3 -17.396 20.988 -15.394 1.00 0.00 H new ATOM 0 HA SER A 3 -19.195 21.820 -17.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.842 19.128 -17.135 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.792 19.593 -18.532 1.00 0.00 H new ATOM 0 HG SER A 3 -16.513 19.795 -18.914 1.00 0.00 H new ATOM 30 N GLY A 4 -21.025 20.029 -16.949 1.00 0.00 N ATOM 31 CA GLY A 4 -22.202 19.427 -16.350 1.00 0.00 C ATOM 32 C GLY A 4 -22.895 18.455 -17.284 1.00 0.00 C ATOM 33 O GLY A 4 -23.122 18.763 -18.454 1.00 0.00 O ATOM 0 H GLY A 4 -21.059 20.118 -17.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.915 18.906 -15.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.902 20.212 -16.063 1.00 0.00 H new ATOM 37 N SER A 5 -23.232 17.278 -16.767 1.00 0.00 N ATOM 38 CA SER A 5 -23.899 16.255 -17.565 1.00 0.00 C ATOM 39 C SER A 5 -24.898 15.472 -16.719 1.00 0.00 C ATOM 40 O SER A 5 -24.903 15.572 -15.492 1.00 0.00 O ATOM 41 CB SER A 5 -22.869 15.301 -18.173 1.00 0.00 C ATOM 42 OG SER A 5 -22.365 15.807 -19.397 1.00 0.00 O ATOM 0 H SER A 5 -23.054 17.009 -15.799 1.00 0.00 H new ATOM 0 HA SER A 5 -24.442 16.752 -18.369 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.048 15.152 -17.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.326 14.326 -18.340 1.00 0.00 H new ATOM 0 HG SER A 5 -22.466 16.782 -19.415 1.00 0.00 H new ATOM 48 N SER A 6 -25.744 14.692 -17.385 1.00 0.00 N ATOM 49 CA SER A 6 -26.751 13.894 -16.696 1.00 0.00 C ATOM 50 C SER A 6 -27.145 12.679 -17.530 1.00 0.00 C ATOM 51 O SER A 6 -26.917 12.641 -18.738 1.00 0.00 O ATOM 52 CB SER A 6 -27.988 14.743 -16.395 1.00 0.00 C ATOM 53 OG SER A 6 -28.708 15.033 -17.581 1.00 0.00 O ATOM 0 H SER A 6 -25.752 14.596 -18.400 1.00 0.00 H new ATOM 0 HA SER A 6 -26.322 13.545 -15.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.634 14.215 -15.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.686 15.673 -15.912 1.00 0.00 H new ATOM 0 HG SER A 6 -29.495 15.575 -17.362 1.00 0.00 H new ATOM 59 N GLY A 7 -27.740 11.686 -16.875 1.00 0.00 N ATOM 60 CA GLY A 7 -28.157 10.483 -17.570 1.00 0.00 C ATOM 61 C GLY A 7 -29.219 9.713 -16.811 1.00 0.00 C ATOM 62 O GLY A 7 -29.511 10.020 -15.656 1.00 0.00 O ATOM 0 H GLY A 7 -27.940 11.694 -15.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.541 10.751 -18.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.291 9.841 -17.729 1.00 0.00 H new ATOM 66 N MET A 8 -29.801 8.712 -17.463 1.00 0.00 N ATOM 67 CA MET A 8 -30.839 7.896 -16.842 1.00 0.00 C ATOM 68 C MET A 8 -30.490 6.414 -16.928 1.00 0.00 C ATOM 69 O MET A 8 -29.758 5.990 -17.822 1.00 0.00 O ATOM 70 CB MET A 8 -32.189 8.154 -17.512 1.00 0.00 C ATOM 71 CG MET A 8 -32.756 9.535 -17.225 1.00 0.00 C ATOM 72 SD MET A 8 -32.045 10.811 -18.282 1.00 0.00 S ATOM 73 CE MET A 8 -32.972 10.554 -19.793 1.00 0.00 C ATOM 0 H MET A 8 -29.572 8.446 -18.421 1.00 0.00 H new ATOM 0 HA MET A 8 -30.905 8.175 -15.790 1.00 0.00 H new ATOM 0 HB2 MET A 8 -32.080 8.032 -18.590 1.00 0.00 H new ATOM 0 HB3 MET A 8 -32.902 7.401 -17.176 1.00 0.00 H new ATOM 0 HG2 MET A 8 -33.837 9.515 -17.363 1.00 0.00 H new ATOM 0 HG3 MET A 8 -32.572 9.789 -16.181 1.00 0.00 H new ATOM 0 HE1 MET A 8 -32.312 10.680 -20.651 1.00 0.00 H new ATOM 0 HE2 MET A 8 -33.386 9.546 -19.799 1.00 0.00 H new ATOM 0 HE3 MET A 8 -33.784 11.279 -19.850 1.00 0.00 H new ATOM 83 N ALA A 9 -31.018 5.631 -15.994 1.00 0.00 N ATOM 84 CA ALA A 9 -30.764 4.196 -15.966 1.00 0.00 C ATOM 85 C ALA A 9 -32.065 3.406 -16.047 1.00 0.00 C ATOM 86 O ALA A 9 -33.134 3.915 -15.709 1.00 0.00 O ATOM 87 CB ALA A 9 -29.993 3.820 -14.709 1.00 0.00 C ATOM 0 H ALA A 9 -31.625 5.966 -15.246 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.161 3.942 -16.838 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -29.811 2.745 -14.702 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.041 4.350 -14.694 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -30.575 4.095 -13.829 1.00 0.00 H new ATOM 93 N SER A 10 -31.969 2.159 -16.499 1.00 0.00 N ATOM 94 CA SER A 10 -33.140 1.300 -16.628 1.00 0.00 C ATOM 95 C SER A 10 -32.728 -0.163 -16.766 1.00 0.00 C ATOM 96 O SER A 10 -31.561 -0.471 -17.003 1.00 0.00 O ATOM 97 CB SER A 10 -33.977 1.722 -17.837 1.00 0.00 C ATOM 98 OG SER A 10 -33.364 1.314 -19.049 1.00 0.00 O ATOM 0 H SER A 10 -31.092 1.722 -16.782 1.00 0.00 H new ATOM 0 HA SER A 10 -33.740 1.407 -15.724 1.00 0.00 H new ATOM 0 HB2 SER A 10 -34.973 1.285 -17.764 1.00 0.00 H new ATOM 0 HB3 SER A 10 -34.103 2.805 -17.836 1.00 0.00 H new ATOM 0 HG SER A 10 -33.919 1.594 -19.807 1.00 0.00 H new ATOM 104 N GLY A 11 -33.697 -1.061 -16.614 1.00 0.00 N ATOM 105 CA GLY A 11 -33.417 -2.480 -16.724 1.00 0.00 C ATOM 106 C GLY A 11 -33.224 -2.923 -18.161 1.00 0.00 C ATOM 107 O GLY A 11 -34.195 -3.142 -18.884 1.00 0.00 O ATOM 0 H GLY A 11 -34.671 -0.830 -16.417 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.520 -2.716 -16.151 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -34.237 -3.045 -16.280 1.00 0.00 H new ATOM 111 N GLN A 12 -31.968 -3.054 -18.574 1.00 0.00 N ATOM 112 CA GLN A 12 -31.652 -3.471 -19.935 1.00 0.00 C ATOM 113 C GLN A 12 -30.576 -4.552 -19.937 1.00 0.00 C ATOM 114 O GLN A 12 -29.669 -4.539 -20.769 1.00 0.00 O ATOM 115 CB GLN A 12 -31.188 -2.272 -20.764 1.00 0.00 C ATOM 116 CG GLN A 12 -29.888 -1.658 -20.271 1.00 0.00 C ATOM 117 CD GLN A 12 -29.576 -0.335 -20.942 1.00 0.00 C ATOM 118 OE1 GLN A 12 -30.435 0.543 -21.037 1.00 0.00 O ATOM 119 NE2 GLN A 12 -28.343 -0.184 -21.410 1.00 0.00 N ATOM 0 H GLN A 12 -31.153 -2.878 -17.986 1.00 0.00 H new ATOM 0 HA GLN A 12 -32.557 -3.884 -20.381 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -31.062 -2.584 -21.801 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -31.967 -1.510 -20.753 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -29.947 -1.509 -19.193 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -29.070 -2.355 -20.452 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -27.663 -0.938 -21.309 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -28.075 0.686 -21.870 1.00 0.00 H new ATOM 128 N PHE A 13 -30.683 -5.488 -19.000 1.00 0.00 N ATOM 129 CA PHE A 13 -29.718 -6.577 -18.892 1.00 0.00 C ATOM 130 C PHE A 13 -30.326 -7.772 -18.164 1.00 0.00 C ATOM 131 O PHE A 13 -31.021 -7.614 -17.160 1.00 0.00 O ATOM 132 CB PHE A 13 -28.462 -6.102 -18.159 1.00 0.00 C ATOM 133 CG PHE A 13 -27.579 -5.219 -18.992 1.00 0.00 C ATOM 134 CD1 PHE A 13 -27.030 -5.684 -20.176 1.00 0.00 C ATOM 135 CD2 PHE A 13 -27.297 -3.923 -18.592 1.00 0.00 C ATOM 136 CE1 PHE A 13 -26.217 -4.874 -20.946 1.00 0.00 C ATOM 137 CE2 PHE A 13 -26.485 -3.107 -19.357 1.00 0.00 C ATOM 138 CZ PHE A 13 -25.943 -3.584 -20.535 1.00 0.00 C ATOM 0 H PHE A 13 -31.428 -5.515 -18.304 1.00 0.00 H new ATOM 0 HA PHE A 13 -29.445 -6.890 -19.900 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -28.758 -5.561 -17.260 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -27.890 -6.971 -17.834 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -27.240 -6.692 -20.501 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -27.717 -3.546 -17.671 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -25.797 -5.249 -21.867 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -26.274 -2.098 -19.034 1.00 0.00 H new ATOM 0 HZ PHE A 13 -25.306 -2.949 -21.133 1.00 0.00 H new ATOM 148 N VAL A 14 -30.058 -8.968 -18.677 1.00 0.00 N ATOM 149 CA VAL A 14 -30.577 -10.191 -18.076 1.00 0.00 C ATOM 150 C VAL A 14 -30.208 -10.277 -16.599 1.00 0.00 C ATOM 151 O VAL A 14 -29.098 -9.925 -16.205 1.00 0.00 O ATOM 152 CB VAL A 14 -30.045 -11.442 -18.800 1.00 0.00 C ATOM 153 CG1 VAL A 14 -28.525 -11.465 -18.781 1.00 0.00 C ATOM 154 CG2 VAL A 14 -30.614 -12.705 -18.169 1.00 0.00 C ATOM 0 H VAL A 14 -29.485 -9.116 -19.507 1.00 0.00 H new ATOM 0 HA VAL A 14 -31.662 -10.157 -18.175 1.00 0.00 H new ATOM 0 HB VAL A 14 -30.370 -11.404 -19.840 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -28.168 -12.356 -19.297 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -28.141 -10.577 -19.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -28.174 -11.479 -17.749 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -30.228 -13.579 -18.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -30.321 -12.752 -17.120 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -31.701 -12.690 -18.241 1.00 0.00 H new ATOM 164 N ASN A 15 -31.148 -10.750 -15.787 1.00 0.00 N ATOM 165 CA ASN A 15 -30.922 -10.882 -14.352 1.00 0.00 C ATOM 166 C ASN A 15 -29.638 -11.657 -14.073 1.00 0.00 C ATOM 167 O ASN A 15 -29.572 -12.868 -14.280 1.00 0.00 O ATOM 168 CB ASN A 15 -32.109 -11.586 -13.690 1.00 0.00 C ATOM 169 CG ASN A 15 -33.422 -10.873 -13.950 1.00 0.00 C ATOM 170 OD1 ASN A 15 -34.127 -11.177 -14.913 1.00 0.00 O ATOM 171 ND2 ASN A 15 -33.757 -9.918 -13.090 1.00 0.00 N ATOM 0 H ASN A 15 -32.073 -11.048 -16.098 1.00 0.00 H new ATOM 0 HA ASN A 15 -30.821 -9.881 -13.932 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -32.174 -12.609 -14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -31.938 -11.647 -12.615 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -34.629 -9.403 -13.214 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.142 -9.699 -12.306 1.00 0.00 H new ATOM 178 N LYS A 16 -28.618 -10.949 -13.601 1.00 0.00 N ATOM 179 CA LYS A 16 -27.334 -11.568 -13.291 1.00 0.00 C ATOM 180 C LYS A 16 -26.751 -10.995 -12.003 1.00 0.00 C ATOM 181 O LYS A 16 -26.902 -9.807 -11.715 1.00 0.00 O ATOM 182 CB LYS A 16 -26.352 -11.359 -14.445 1.00 0.00 C ATOM 183 CG LYS A 16 -25.851 -9.931 -14.567 1.00 0.00 C ATOM 184 CD LYS A 16 -24.521 -9.867 -15.299 1.00 0.00 C ATOM 185 CE LYS A 16 -24.717 -9.792 -16.806 1.00 0.00 C ATOM 186 NZ LYS A 16 -25.359 -8.514 -17.219 1.00 0.00 N ATOM 0 H LYS A 16 -28.655 -9.945 -13.424 1.00 0.00 H new ATOM 0 HA LYS A 16 -27.498 -12.636 -13.151 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.499 -12.024 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.835 -11.646 -15.379 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.589 -9.330 -15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.742 -9.497 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -23.960 -8.996 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.926 -10.746 -15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.752 -9.891 -17.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -25.332 -10.630 -17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.105 -8.300 -18.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -26.392 -8.603 -17.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -25.029 -7.745 -16.602 1.00 0.00 H new ATOM 200 N LEU A 17 -26.082 -11.845 -11.232 1.00 0.00 N ATOM 201 CA LEU A 17 -25.474 -11.423 -9.975 1.00 0.00 C ATOM 202 C LEU A 17 -24.384 -10.384 -10.220 1.00 0.00 C ATOM 203 O LEU A 17 -23.869 -10.262 -11.330 1.00 0.00 O ATOM 204 CB LEU A 17 -24.888 -12.629 -9.239 1.00 0.00 C ATOM 205 CG LEU A 17 -24.233 -12.338 -7.888 1.00 0.00 C ATOM 206 CD1 LEU A 17 -25.284 -11.969 -6.853 1.00 0.00 C ATOM 207 CD2 LEU A 17 -23.419 -13.535 -7.421 1.00 0.00 C ATOM 0 H LEU A 17 -25.947 -12.831 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.250 -10.971 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -25.684 -13.357 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.147 -13.099 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.559 -11.490 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -24.799 -11.766 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.823 -11.081 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.984 -12.796 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -22.960 -13.310 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.072 -14.401 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -22.640 -13.753 -8.152 1.00 0.00 H new ATOM 219 N GLN A 18 -24.039 -9.640 -9.174 1.00 0.00 N ATOM 220 CA GLN A 18 -23.009 -8.612 -9.276 1.00 0.00 C ATOM 221 C GLN A 18 -21.616 -9.232 -9.239 1.00 0.00 C ATOM 222 O GLN A 18 -21.046 -9.436 -8.168 1.00 0.00 O ATOM 223 CB GLN A 18 -23.159 -7.596 -8.142 1.00 0.00 C ATOM 224 CG GLN A 18 -24.497 -6.877 -8.143 1.00 0.00 C ATOM 225 CD GLN A 18 -24.765 -6.141 -6.844 1.00 0.00 C ATOM 226 OE1 GLN A 18 -25.608 -6.553 -6.047 1.00 0.00 O ATOM 227 NE2 GLN A 18 -24.047 -5.046 -6.625 1.00 0.00 N ATOM 0 H GLN A 18 -24.457 -9.729 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 18 -23.134 -8.101 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.032 -8.107 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -22.360 -6.859 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -24.523 -6.168 -8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -25.294 -7.600 -8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.359 -4.741 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.183 -4.510 -5.768 1.00 0.00 H new ATOM 236 N GLU A 19 -21.074 -9.529 -10.416 1.00 0.00 N ATOM 237 CA GLU A 19 -19.748 -10.127 -10.517 1.00 0.00 C ATOM 238 C GLU A 19 -18.669 -9.049 -10.583 1.00 0.00 C ATOM 239 O GLU A 19 -17.717 -9.157 -11.355 1.00 0.00 O ATOM 240 CB GLU A 19 -19.662 -11.027 -11.751 1.00 0.00 C ATOM 241 CG GLU A 19 -20.083 -10.336 -13.038 1.00 0.00 C ATOM 242 CD GLU A 19 -19.530 -8.929 -13.152 1.00 0.00 C ATOM 243 OE1 GLU A 19 -20.089 -8.019 -12.505 1.00 0.00 O ATOM 244 OE2 GLU A 19 -18.540 -8.737 -13.889 1.00 0.00 O ATOM 0 H GLU A 19 -21.532 -9.365 -11.312 1.00 0.00 H new ATOM 0 HA GLU A 19 -19.581 -10.730 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.638 -11.385 -11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -20.292 -11.903 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.745 -10.926 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.171 -10.300 -13.087 1.00 0.00 H new ATOM 251 N GLU A 20 -18.827 -8.011 -9.768 1.00 0.00 N ATOM 252 CA GLU A 20 -17.868 -6.913 -9.736 1.00 0.00 C ATOM 253 C GLU A 20 -17.016 -6.972 -8.471 1.00 0.00 C ATOM 254 O GLU A 20 -17.315 -7.723 -7.542 1.00 0.00 O ATOM 255 CB GLU A 20 -18.594 -5.569 -9.813 1.00 0.00 C ATOM 256 CG GLU A 20 -19.375 -5.226 -8.555 1.00 0.00 C ATOM 257 CD GLU A 20 -20.151 -3.930 -8.685 1.00 0.00 C ATOM 258 OE1 GLU A 20 -19.651 -3.003 -9.355 1.00 0.00 O ATOM 259 OE2 GLU A 20 -21.260 -3.844 -8.117 1.00 0.00 O ATOM 0 H GLU A 20 -19.609 -7.907 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.212 -7.013 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.864 -4.782 -10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.277 -5.583 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -20.066 -6.038 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.686 -5.150 -7.714 1.00 0.00 H new ATOM 266 N VAL A 21 -15.953 -6.175 -8.443 1.00 0.00 N ATOM 267 CA VAL A 21 -15.058 -6.135 -7.293 1.00 0.00 C ATOM 268 C VAL A 21 -14.911 -4.714 -6.760 1.00 0.00 C ATOM 269 O VAL A 21 -14.798 -3.760 -7.530 1.00 0.00 O ATOM 270 CB VAL A 21 -13.663 -6.685 -7.648 1.00 0.00 C ATOM 271 CG1 VAL A 21 -13.064 -5.910 -8.812 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.746 -6.634 -6.435 1.00 0.00 C ATOM 0 H VAL A 21 -15.691 -5.548 -9.204 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.504 -6.765 -6.523 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.769 -7.726 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.079 -6.312 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.713 -6.003 -9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.971 -4.859 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.765 -7.026 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.645 -5.602 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.170 -7.237 -5.632 1.00 0.00 H new ATOM 282 N ILE A 22 -14.913 -4.581 -5.438 1.00 0.00 N ATOM 283 CA ILE A 22 -14.779 -3.277 -4.801 1.00 0.00 C ATOM 284 C ILE A 22 -13.388 -3.099 -4.201 1.00 0.00 C ATOM 285 O ILE A 22 -12.750 -4.067 -3.788 1.00 0.00 O ATOM 286 CB ILE A 22 -15.833 -3.078 -3.696 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.241 -3.273 -4.262 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.693 -1.697 -3.072 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.320 -3.299 -3.202 1.00 0.00 C ATOM 0 H ILE A 22 -15.006 -5.361 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.935 -2.529 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.668 -3.824 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.455 -2.470 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.272 -4.207 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.445 -1.572 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.699 -1.593 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.835 -0.935 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.292 -3.440 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.131 -4.120 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.316 -2.356 -2.656 1.00 0.00 H new ATOM 301 N CYS A 23 -12.925 -1.854 -4.153 1.00 0.00 N ATOM 302 CA CYS A 23 -11.611 -1.547 -3.602 1.00 0.00 C ATOM 303 C CYS A 23 -11.635 -1.601 -2.077 1.00 0.00 C ATOM 304 O CYS A 23 -12.382 -0.879 -1.417 1.00 0.00 O ATOM 305 CB CYS A 23 -11.150 -0.164 -4.067 1.00 0.00 C ATOM 306 SG CYS A 23 -9.451 0.260 -3.566 1.00 0.00 S ATOM 0 H CYS A 23 -13.441 -1.041 -4.489 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.908 -2.297 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.220 -0.116 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.833 0.587 -3.670 1.00 0.00 H new ATOM 311 N PRO A 24 -10.797 -2.477 -1.503 1.00 0.00 N ATOM 312 CA PRO A 24 -10.702 -2.647 -0.050 1.00 0.00 C ATOM 313 C PRO A 24 -10.066 -1.441 0.634 1.00 0.00 C ATOM 314 O PRO A 24 -9.806 -1.464 1.837 1.00 0.00 O ATOM 315 CB PRO A 24 -9.811 -3.882 0.106 1.00 0.00 C ATOM 316 CG PRO A 24 -8.997 -3.921 -1.141 1.00 0.00 C ATOM 317 CD PRO A 24 -9.878 -3.370 -2.228 1.00 0.00 C ATOM 0 HA PRO A 24 -11.683 -2.752 0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.178 -3.804 0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.406 -4.788 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.090 -3.325 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.684 -4.939 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.300 -2.829 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.415 -4.162 -2.750 1.00 0.00 H new ATOM 325 N ILE A 25 -9.819 -0.390 -0.140 1.00 0.00 N ATOM 326 CA ILE A 25 -9.215 0.825 0.392 1.00 0.00 C ATOM 327 C ILE A 25 -10.236 1.954 0.480 1.00 0.00 C ATOM 328 O ILE A 25 -10.534 2.454 1.565 1.00 0.00 O ATOM 329 CB ILE A 25 -8.028 1.289 -0.472 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.902 0.253 -0.429 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.525 2.644 0.001 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.722 0.606 -1.307 1.00 0.00 C ATOM 0 H ILE A 25 -10.028 -0.355 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.854 0.585 1.392 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.366 1.389 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.559 0.144 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.298 -0.715 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.686 2.958 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.328 3.377 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.200 2.570 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.963 -0.172 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.051 0.687 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.301 1.558 -0.985 1.00 0.00 H new ATOM 344 N CYS A 26 -10.773 2.350 -0.669 1.00 0.00 N ATOM 345 CA CYS A 26 -11.763 3.419 -0.724 1.00 0.00 C ATOM 346 C CYS A 26 -13.178 2.849 -0.737 1.00 0.00 C ATOM 347 O CYS A 26 -14.141 3.540 -0.401 1.00 0.00 O ATOM 348 CB CYS A 26 -11.539 4.288 -1.963 1.00 0.00 C ATOM 349 SG CYS A 26 -11.621 3.373 -3.536 1.00 0.00 S ATOM 0 H CYS A 26 -10.539 1.946 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 26 -11.646 4.035 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.286 5.082 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.564 4.769 -1.885 1.00 0.00 H new ATOM 354 N LEU A 27 -13.297 1.585 -1.128 1.00 0.00 N ATOM 355 CA LEU A 27 -14.595 0.921 -1.186 1.00 0.00 C ATOM 356 C LEU A 27 -15.430 1.457 -2.344 1.00 0.00 C ATOM 357 O LEU A 27 -16.622 1.726 -2.191 1.00 0.00 O ATOM 358 CB LEU A 27 -15.347 1.113 0.132 1.00 0.00 C ATOM 359 CG LEU A 27 -14.535 0.888 1.408 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.237 1.510 2.605 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.302 -0.598 1.637 1.00 0.00 C ATOM 0 H LEU A 27 -12.511 0.999 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.424 -0.143 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.747 2.127 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.199 0.433 0.143 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.566 1.373 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.644 1.339 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.351 2.582 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.220 1.055 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.723 -0.739 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.261 -1.106 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.755 -1.015 0.792 1.00 0.00 H new ATOM 373 N ASP A 28 -14.798 1.608 -3.502 1.00 0.00 N ATOM 374 CA ASP A 28 -15.483 2.109 -4.688 1.00 0.00 C ATOM 375 C ASP A 28 -15.328 1.139 -5.855 1.00 0.00 C ATOM 376 O ASP A 28 -14.240 0.617 -6.101 1.00 0.00 O ATOM 377 CB ASP A 28 -14.938 3.484 -5.076 1.00 0.00 C ATOM 378 CG ASP A 28 -14.758 4.394 -3.877 1.00 0.00 C ATOM 379 OD1 ASP A 28 -15.509 4.234 -2.893 1.00 0.00 O ATOM 380 OD2 ASP A 28 -13.867 5.269 -3.924 1.00 0.00 O ATOM 0 H ASP A 28 -13.812 1.391 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.543 2.201 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.981 3.362 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.618 3.954 -5.787 1.00 0.00 H new ATOM 385 N ILE A 29 -16.423 0.901 -6.570 1.00 0.00 N ATOM 386 CA ILE A 29 -16.408 -0.006 -7.711 1.00 0.00 C ATOM 387 C ILE A 29 -15.082 0.075 -8.460 1.00 0.00 C ATOM 388 O ILE A 29 -14.818 1.043 -9.174 1.00 0.00 O ATOM 389 CB ILE A 29 -17.557 0.301 -8.689 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.909 0.138 -7.990 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.472 -0.606 -9.908 1.00 0.00 C ATOM 392 CD1 ILE A 29 -20.068 0.709 -8.776 1.00 0.00 C ATOM 0 H ILE A 29 -17.331 1.324 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.538 -1.013 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.464 1.335 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.090 -0.922 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.866 0.625 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.291 -0.377 -10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.521 -0.445 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.543 -1.647 -9.593 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.994 0.558 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.910 1.776 -8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.137 0.205 -9.740 1.00 0.00 H new ATOM 404 N LEU A 30 -14.253 -0.950 -8.295 1.00 0.00 N ATOM 405 CA LEU A 30 -12.954 -0.997 -8.957 1.00 0.00 C ATOM 406 C LEU A 30 -13.113 -0.937 -10.473 1.00 0.00 C ATOM 407 O LEU A 30 -13.170 -1.969 -11.141 1.00 0.00 O ATOM 408 CB LEU A 30 -12.204 -2.270 -8.561 1.00 0.00 C ATOM 409 CG LEU A 30 -11.395 -2.197 -7.265 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.295 -3.571 -6.621 1.00 0.00 C ATOM 411 CD2 LEU A 30 -10.009 -1.629 -7.532 1.00 0.00 C ATOM 0 H LEU A 30 -14.457 -1.759 -7.709 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.378 -0.129 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.927 -3.080 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.528 -2.537 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.911 -1.531 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.716 -3.500 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.295 -3.940 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.802 -4.259 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.448 -1.585 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.484 -2.269 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.101 -0.626 -7.948 1.00 0.00 H new ATOM 423 N GLN A 31 -13.182 0.278 -11.008 1.00 0.00 N ATOM 424 CA GLN A 31 -13.333 0.472 -12.445 1.00 0.00 C ATOM 425 C GLN A 31 -12.169 -0.158 -13.204 1.00 0.00 C ATOM 426 O GLN A 31 -12.363 -0.800 -14.237 1.00 0.00 O ATOM 427 CB GLN A 31 -13.424 1.963 -12.773 1.00 0.00 C ATOM 428 CG GLN A 31 -14.707 2.616 -12.286 1.00 0.00 C ATOM 429 CD GLN A 31 -15.140 3.776 -13.160 1.00 0.00 C ATOM 430 OE1 GLN A 31 -14.703 4.911 -12.967 1.00 0.00 O ATOM 431 NE2 GLN A 31 -16.004 3.497 -14.129 1.00 0.00 N ATOM 0 H GLN A 31 -13.136 1.142 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.255 -0.018 -12.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.573 2.477 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.346 2.094 -13.852 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.502 1.871 -12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.565 2.969 -11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.340 2.542 -14.253 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.331 4.238 -14.749 1.00 0.00 H new ATOM 440 N LYS A 32 -10.960 0.030 -12.686 1.00 0.00 N ATOM 441 CA LYS A 32 -9.765 -0.520 -13.314 1.00 0.00 C ATOM 442 C LYS A 32 -8.857 -1.173 -12.276 1.00 0.00 C ATOM 443 O LYS A 32 -8.044 -0.515 -11.626 1.00 0.00 O ATOM 444 CB LYS A 32 -9.001 0.579 -14.055 1.00 0.00 C ATOM 445 CG LYS A 32 -9.635 0.973 -15.378 1.00 0.00 C ATOM 446 CD LYS A 32 -9.130 2.324 -15.858 1.00 0.00 C ATOM 447 CE LYS A 32 -7.732 2.219 -16.447 1.00 0.00 C ATOM 448 NZ LYS A 32 -7.706 1.361 -17.664 1.00 0.00 N ATOM 0 H LYS A 32 -10.782 0.559 -11.832 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.078 -1.281 -14.029 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.937 1.460 -13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.981 0.242 -14.237 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.415 0.214 -16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.719 1.007 -15.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.813 2.723 -16.608 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.123 3.028 -15.026 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.368 3.215 -16.697 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.053 1.810 -15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.872 1.598 -18.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.660 0.361 -17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.568 1.524 -18.222 1.00 0.00 H new ATOM 462 N PRO A 33 -8.995 -2.497 -12.117 1.00 0.00 N ATOM 463 CA PRO A 33 -8.194 -3.268 -11.161 1.00 0.00 C ATOM 464 C PRO A 33 -6.732 -3.372 -11.581 1.00 0.00 C ATOM 465 O PRO A 33 -6.422 -3.846 -12.674 1.00 0.00 O ATOM 466 CB PRO A 33 -8.855 -4.648 -11.176 1.00 0.00 C ATOM 467 CG PRO A 33 -9.507 -4.742 -12.512 1.00 0.00 C ATOM 468 CD PRO A 33 -9.944 -3.345 -12.858 1.00 0.00 C ATOM 0 HA PRO A 33 -8.174 -2.801 -10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.120 -5.441 -11.038 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.584 -4.746 -10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.814 -5.130 -13.258 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.359 -5.422 -12.484 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.893 -3.162 -13.931 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.973 -3.159 -12.552 1.00 0.00 H new ATOM 476 N VAL A 34 -5.836 -2.927 -10.706 1.00 0.00 N ATOM 477 CA VAL A 34 -4.406 -2.972 -10.986 1.00 0.00 C ATOM 478 C VAL A 34 -3.697 -3.961 -10.067 1.00 0.00 C ATOM 479 O VAL A 34 -3.622 -3.756 -8.855 1.00 0.00 O ATOM 480 CB VAL A 34 -3.759 -1.584 -10.825 1.00 0.00 C ATOM 481 CG1 VAL A 34 -2.259 -1.663 -11.066 1.00 0.00 C ATOM 482 CG2 VAL A 34 -4.407 -0.582 -11.769 1.00 0.00 C ATOM 0 H VAL A 34 -6.075 -2.531 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.296 -3.298 -12.020 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.921 -1.243 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.819 -0.673 -10.948 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.810 -2.348 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.071 -2.025 -12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.938 0.394 -11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.278 -0.916 -12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.471 -0.505 -11.544 1.00 0.00 H new ATOM 492 N THR A 35 -3.175 -5.035 -10.652 1.00 0.00 N ATOM 493 CA THR A 35 -2.473 -6.056 -9.886 1.00 0.00 C ATOM 494 C THR A 35 -1.021 -5.660 -9.644 1.00 0.00 C ATOM 495 O THR A 35 -0.303 -5.296 -10.577 1.00 0.00 O ATOM 496 CB THR A 35 -2.508 -7.419 -10.603 1.00 0.00 C ATOM 497 OG1 THR A 35 -3.856 -7.752 -10.956 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.926 -8.511 -9.718 1.00 0.00 C ATOM 0 H THR A 35 -3.226 -5.220 -11.654 1.00 0.00 H new ATOM 0 HA THR A 35 -2.988 -6.143 -8.929 1.00 0.00 H new ATOM 0 HB THR A 35 -1.903 -7.345 -11.507 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.470 -7.387 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.961 -9.464 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.891 -8.269 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.508 -8.583 -8.799 1.00 0.00 H new ATOM 506 N ILE A 36 -0.593 -5.734 -8.388 1.00 0.00 N ATOM 507 CA ILE A 36 0.774 -5.385 -8.025 1.00 0.00 C ATOM 508 C ILE A 36 1.602 -6.632 -7.735 1.00 0.00 C ATOM 509 O ILE A 36 1.103 -7.754 -7.820 1.00 0.00 O ATOM 510 CB ILE A 36 0.811 -4.460 -6.795 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.082 -5.111 -5.618 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.193 -3.110 -7.127 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.148 -4.300 -4.343 1.00 0.00 C ATOM 0 H ILE A 36 -1.174 -6.033 -7.605 1.00 0.00 H new ATOM 0 HA ILE A 36 1.202 -4.859 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 36 1.851 -4.301 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.963 -5.264 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.511 -6.096 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.227 -2.468 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.752 -2.644 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.843 -3.250 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.390 -4.822 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.189 -4.169 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.308 -3.324 -4.509 1.00 0.00 H new ATOM 525 N ASP A 37 2.868 -6.428 -7.390 1.00 0.00 N ATOM 526 CA ASP A 37 3.765 -7.536 -7.083 1.00 0.00 C ATOM 527 C ASP A 37 3.097 -8.531 -6.139 1.00 0.00 C ATOM 528 O ASP A 37 3.189 -9.744 -6.332 1.00 0.00 O ATOM 529 CB ASP A 37 5.061 -7.014 -6.461 1.00 0.00 C ATOM 530 CG ASP A 37 6.121 -6.707 -7.500 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.785 -6.062 -8.516 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.285 -7.112 -7.299 1.00 0.00 O ATOM 0 H ASP A 37 3.297 -5.505 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 37 4.000 -8.050 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.847 -6.112 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.447 -7.754 -5.760 1.00 0.00 H new ATOM 537 N CYS A 38 2.426 -8.010 -5.118 1.00 0.00 N ATOM 538 CA CYS A 38 1.743 -8.851 -4.142 1.00 0.00 C ATOM 539 C CYS A 38 0.615 -9.641 -4.800 1.00 0.00 C ATOM 540 O CYS A 38 0.253 -10.724 -4.342 1.00 0.00 O ATOM 541 CB CYS A 38 1.185 -7.997 -3.003 1.00 0.00 C ATOM 542 SG CYS A 38 -0.514 -7.403 -3.282 1.00 0.00 S ATOM 0 H CYS A 38 2.340 -7.009 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 38 2.469 -9.556 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.208 -8.579 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.839 -7.138 -2.854 1.00 0.00 H new ATOM 547 N GLY A 39 0.064 -9.091 -5.878 1.00 0.00 N ATOM 548 CA GLY A 39 -1.016 -9.757 -6.581 1.00 0.00 C ATOM 549 C GLY A 39 -2.348 -9.059 -6.392 1.00 0.00 C ATOM 550 O GLY A 39 -3.059 -8.789 -7.361 1.00 0.00 O ATOM 0 H GLY A 39 0.347 -8.196 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.780 -9.802 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.095 -10.785 -6.229 1.00 0.00 H new ATOM 554 N HIS A 40 -2.689 -8.766 -5.141 1.00 0.00 N ATOM 555 CA HIS A 40 -3.946 -8.096 -4.828 1.00 0.00 C ATOM 556 C HIS A 40 -4.280 -7.047 -5.884 1.00 0.00 C ATOM 557 O HIS A 40 -3.391 -6.518 -6.550 1.00 0.00 O ATOM 558 CB HIS A 40 -3.870 -7.441 -3.448 1.00 0.00 C ATOM 559 CG HIS A 40 -3.697 -8.422 -2.329 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.169 -8.078 -1.103 1.00 0.00 N ATOM 561 CD2 HIS A 40 -3.988 -9.741 -2.255 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.140 -9.145 -0.324 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.632 -10.167 -0.999 1.00 0.00 N ATOM 0 H HIS A 40 -2.112 -8.982 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.737 -8.846 -4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.039 -6.736 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.779 -6.864 -3.278 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.420 -10.346 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.776 -9.176 0.692 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.732 -11.118 -0.645 1.00 0.00 H new ATOM 571 N ASN A 41 -5.568 -6.751 -6.032 1.00 0.00 N ATOM 572 CA ASN A 41 -6.019 -5.766 -7.008 1.00 0.00 C ATOM 573 C ASN A 41 -6.528 -4.506 -6.314 1.00 0.00 C ATOM 574 O ASN A 41 -7.382 -4.574 -5.429 1.00 0.00 O ATOM 575 CB ASN A 41 -7.121 -6.358 -7.889 1.00 0.00 C ATOM 576 CG ASN A 41 -6.597 -7.426 -8.830 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.201 -7.135 -9.959 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.594 -8.671 -8.368 1.00 0.00 N ATOM 0 H ASN A 41 -6.317 -7.179 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.169 -5.496 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.899 -6.785 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.585 -5.561 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.254 -9.432 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.932 -8.866 -7.425 1.00 0.00 H new ATOM 585 N PHE A 42 -5.999 -3.358 -6.722 1.00 0.00 N ATOM 586 CA PHE A 42 -6.400 -2.082 -6.140 1.00 0.00 C ATOM 587 C PHE A 42 -6.894 -1.123 -7.219 1.00 0.00 C ATOM 588 O PHE A 42 -6.759 -1.391 -8.413 1.00 0.00 O ATOM 589 CB PHE A 42 -5.230 -1.454 -5.381 1.00 0.00 C ATOM 590 CG PHE A 42 -4.827 -2.225 -4.156 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.668 -2.296 -3.058 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.606 -2.877 -4.103 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.301 -3.005 -1.930 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.233 -3.588 -2.978 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.081 -3.651 -1.890 1.00 0.00 C ATOM 0 H PHE A 42 -5.292 -3.284 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.217 -2.270 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.373 -1.377 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.499 -0.439 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.622 -1.791 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.938 -2.829 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.967 -3.054 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.279 -4.094 -2.950 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.791 -4.205 -1.009 1.00 0.00 H new ATOM 605 N CYS A 43 -7.469 -0.004 -6.790 1.00 0.00 N ATOM 606 CA CYS A 43 -7.985 0.995 -7.717 1.00 0.00 C ATOM 607 C CYS A 43 -6.972 2.117 -7.926 1.00 0.00 C ATOM 608 O CYS A 43 -6.361 2.603 -6.974 1.00 0.00 O ATOM 609 CB CYS A 43 -9.302 1.573 -7.196 1.00 0.00 C ATOM 610 SG CYS A 43 -9.106 3.068 -6.174 1.00 0.00 S ATOM 0 H CYS A 43 -7.589 0.233 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.164 0.507 -8.675 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.944 1.808 -8.045 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.815 0.810 -6.610 1.00 0.00 H new ATOM 615 N LEU A 44 -6.800 2.525 -9.179 1.00 0.00 N ATOM 616 CA LEU A 44 -5.862 3.590 -9.515 1.00 0.00 C ATOM 617 C LEU A 44 -5.986 4.753 -8.536 1.00 0.00 C ATOM 618 O LEU A 44 -5.015 5.134 -7.881 1.00 0.00 O ATOM 619 CB LEU A 44 -6.107 4.082 -10.942 1.00 0.00 C ATOM 620 CG LEU A 44 -5.099 5.094 -11.486 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.872 4.383 -12.035 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.740 5.961 -12.560 1.00 0.00 C ATOM 0 H LEU A 44 -7.298 2.134 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.852 3.186 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.118 3.218 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.100 4.530 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.783 5.740 -10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.166 5.120 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.400 3.806 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.170 3.713 -12.841 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.008 6.676 -12.936 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.085 5.330 -13.379 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.587 6.499 -12.135 1.00 0.00 H new ATOM 634 N LYS A 45 -7.186 5.314 -8.440 1.00 0.00 N ATOM 635 CA LYS A 45 -7.440 6.431 -7.538 1.00 0.00 C ATOM 636 C LYS A 45 -6.732 6.225 -6.203 1.00 0.00 C ATOM 637 O LYS A 45 -6.348 7.187 -5.537 1.00 0.00 O ATOM 638 CB LYS A 45 -8.944 6.598 -7.309 1.00 0.00 C ATOM 639 CG LYS A 45 -9.739 6.773 -8.592 1.00 0.00 C ATOM 640 CD LYS A 45 -9.927 8.241 -8.935 1.00 0.00 C ATOM 641 CE LYS A 45 -8.820 8.746 -9.848 1.00 0.00 C ATOM 642 NZ LYS A 45 -9.015 8.301 -11.255 1.00 0.00 N ATOM 0 H LYS A 45 -7.999 5.013 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.047 7.336 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.321 5.726 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.111 7.463 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.225 6.270 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.713 6.296 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.893 8.382 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.942 8.831 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.789 9.835 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.857 8.387 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.093 8.247 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.465 7.363 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.624 8.981 -11.753 1.00 0.00 H new ATOM 656 N CYS A 46 -6.560 4.965 -5.818 1.00 0.00 N ATOM 657 CA CYS A 46 -5.896 4.632 -4.564 1.00 0.00 C ATOM 658 C CYS A 46 -4.398 4.437 -4.776 1.00 0.00 C ATOM 659 O CYS A 46 -3.585 5.229 -4.296 1.00 0.00 O ATOM 660 CB CYS A 46 -6.506 3.365 -3.961 1.00 0.00 C ATOM 661 SG CYS A 46 -7.872 3.678 -2.797 1.00 0.00 S ATOM 0 H CYS A 46 -6.872 4.157 -6.357 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.042 5.462 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.870 2.730 -4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.724 2.808 -3.445 1.00 0.00 H new ATOM 666 N ILE A 47 -4.040 3.380 -5.497 1.00 0.00 N ATOM 667 CA ILE A 47 -2.640 3.083 -5.773 1.00 0.00 C ATOM 668 C ILE A 47 -1.861 4.354 -6.092 1.00 0.00 C ATOM 669 O ILE A 47 -0.751 4.557 -5.597 1.00 0.00 O ATOM 670 CB ILE A 47 -2.495 2.098 -6.948 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.129 0.751 -6.593 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.029 1.919 -7.312 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.207 -0.207 -7.762 1.00 0.00 C ATOM 0 H ILE A 47 -4.700 2.715 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.231 2.625 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.016 2.508 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.553 0.288 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.134 0.922 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.943 1.220 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.606 2.881 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.486 1.528 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.667 -1.140 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.807 0.236 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.203 -0.408 -8.135 1.00 0.00 H new ATOM 685 N THR A 48 -2.450 5.211 -6.920 1.00 0.00 N ATOM 686 CA THR A 48 -1.812 6.464 -7.304 1.00 0.00 C ATOM 687 C THR A 48 -1.692 7.408 -6.114 1.00 0.00 C ATOM 688 O THR A 48 -0.600 7.869 -5.783 1.00 0.00 O ATOM 689 CB THR A 48 -2.592 7.170 -8.429 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.698 6.308 -9.568 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.907 8.468 -8.831 1.00 0.00 C ATOM 0 H THR A 48 -3.368 5.060 -7.338 1.00 0.00 H new ATOM 0 HA THR A 48 -0.815 6.213 -7.666 1.00 0.00 H new ATOM 0 HB THR A 48 -3.589 7.404 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.898 6.842 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.476 8.948 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.855 9.134 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.899 8.253 -9.185 1.00 0.00 H new ATOM 699 N GLN A 49 -2.822 7.692 -5.474 1.00 0.00 N ATOM 700 CA GLN A 49 -2.842 8.582 -4.319 1.00 0.00 C ATOM 701 C GLN A 49 -1.742 8.215 -3.329 1.00 0.00 C ATOM 702 O GLN A 49 -1.025 9.085 -2.833 1.00 0.00 O ATOM 703 CB GLN A 49 -4.206 8.524 -3.628 1.00 0.00 C ATOM 704 CG GLN A 49 -4.279 9.352 -2.355 1.00 0.00 C ATOM 705 CD GLN A 49 -4.588 10.812 -2.625 1.00 0.00 C ATOM 706 OE1 GLN A 49 -5.686 11.289 -2.337 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.618 11.530 -3.180 1.00 0.00 N ATOM 0 H GLN A 49 -3.735 7.319 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.663 9.598 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.971 8.872 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.440 7.486 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.045 8.938 -1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.331 9.278 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.723 11.093 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.768 12.518 -3.384 1.00 0.00 H new ATOM 716 N ILE A 50 -1.614 6.923 -3.047 1.00 0.00 N ATOM 717 CA ILE A 50 -0.600 6.442 -2.116 1.00 0.00 C ATOM 718 C ILE A 50 0.772 7.015 -2.455 1.00 0.00 C ATOM 719 O ILE A 50 1.521 7.425 -1.569 1.00 0.00 O ATOM 720 CB ILE A 50 -0.517 4.904 -2.120 1.00 0.00 C ATOM 721 CG1 ILE A 50 -1.866 4.298 -1.729 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.577 4.431 -1.174 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.021 2.851 -2.143 1.00 0.00 C ATOM 0 H ILE A 50 -2.199 6.191 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.897 6.779 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.269 4.570 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.990 4.374 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.664 4.885 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.624 3.342 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.536 4.839 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.356 4.772 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.001 2.487 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.929 2.771 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.245 2.251 -1.668 1.00 0.00 H new ATOM 735 N GLY A 51 1.095 7.042 -3.744 1.00 0.00 N ATOM 736 CA GLY A 51 2.376 7.568 -4.177 1.00 0.00 C ATOM 737 C GLY A 51 2.929 6.830 -5.381 1.00 0.00 C ATOM 738 O GLY A 51 3.772 5.945 -5.240 1.00 0.00 O ATOM 0 H GLY A 51 0.492 6.709 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.268 8.625 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.089 7.502 -3.355 1.00 0.00 H new ATOM 742 N GLU A 52 2.452 7.195 -6.567 1.00 0.00 N ATOM 743 CA GLU A 52 2.903 6.559 -7.799 1.00 0.00 C ATOM 744 C GLU A 52 4.386 6.828 -8.039 1.00 0.00 C ATOM 745 O GLU A 52 5.138 5.930 -8.420 1.00 0.00 O ATOM 746 CB GLU A 52 2.083 7.062 -8.989 1.00 0.00 C ATOM 747 CG GLU A 52 2.151 8.568 -9.182 1.00 0.00 C ATOM 748 CD GLU A 52 1.543 9.016 -10.496 1.00 0.00 C ATOM 749 OE1 GLU A 52 0.370 8.673 -10.754 1.00 0.00 O ATOM 750 OE2 GLU A 52 2.239 9.708 -11.268 1.00 0.00 O ATOM 0 H GLU A 52 1.754 7.927 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 52 2.758 5.484 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.436 6.572 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.042 6.768 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.632 9.060 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.192 8.889 -9.139 1.00 0.00 H new ATOM 757 N THR A 53 4.800 8.071 -7.814 1.00 0.00 N ATOM 758 CA THR A 53 6.191 8.460 -8.007 1.00 0.00 C ATOM 759 C THR A 53 6.704 9.274 -6.825 1.00 0.00 C ATOM 760 O THR A 53 7.454 10.234 -6.999 1.00 0.00 O ATOM 761 CB THR A 53 6.371 9.281 -9.298 1.00 0.00 C ATOM 762 OG1 THR A 53 5.550 10.453 -9.251 1.00 0.00 O ATOM 763 CG2 THR A 53 6.010 8.452 -10.522 1.00 0.00 C ATOM 0 H THR A 53 4.191 8.826 -7.498 1.00 0.00 H new ATOM 0 HA THR A 53 6.768 7.539 -8.088 1.00 0.00 H new ATOM 0 HB THR A 53 7.418 9.574 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.671 10.971 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.145 9.053 -11.421 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.656 7.575 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.970 8.133 -10.452 1.00 0.00 H new ATOM 771 N SER A 54 6.294 8.884 -5.622 1.00 0.00 N ATOM 772 CA SER A 54 6.710 9.580 -4.410 1.00 0.00 C ATOM 773 C SER A 54 7.661 8.717 -3.587 1.00 0.00 C ATOM 774 O SER A 54 8.727 9.172 -3.171 1.00 0.00 O ATOM 775 CB SER A 54 5.489 9.958 -3.569 1.00 0.00 C ATOM 776 OG SER A 54 4.968 11.216 -3.963 1.00 0.00 O ATOM 0 H SER A 54 5.674 8.090 -5.461 1.00 0.00 H new ATOM 0 HA SER A 54 7.235 10.489 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.720 9.193 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.765 9.989 -2.515 1.00 0.00 H new ATOM 0 HG SER A 54 4.188 11.434 -3.412 1.00 0.00 H new ATOM 782 N CYS A 55 7.267 7.470 -3.355 1.00 0.00 N ATOM 783 CA CYS A 55 8.084 6.542 -2.581 1.00 0.00 C ATOM 784 C CYS A 55 8.409 5.294 -3.395 1.00 0.00 C ATOM 785 O CYS A 55 9.528 4.785 -3.349 1.00 0.00 O ATOM 786 CB CYS A 55 7.362 6.150 -1.291 1.00 0.00 C ATOM 787 SG CYS A 55 5.721 5.436 -1.551 1.00 0.00 S ATOM 0 H CYS A 55 6.387 7.078 -3.691 1.00 0.00 H new ATOM 0 HA CYS A 55 9.019 7.042 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.976 5.433 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.266 7.032 -0.658 1.00 0.00 H new ATOM 0 HG CYS A 55 5.192 5.135 -0.402 1.00 0.00 H new ATOM 793 N GLY A 56 7.422 4.806 -4.141 1.00 0.00 N ATOM 794 CA GLY A 56 7.623 3.620 -4.953 1.00 0.00 C ATOM 795 C GLY A 56 7.559 2.342 -4.141 1.00 0.00 C ATOM 796 O GLY A 56 6.922 1.371 -4.547 1.00 0.00 O ATOM 0 H GLY A 56 6.487 5.211 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.865 3.587 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.592 3.683 -5.449 1.00 0.00 H new ATOM 800 N PHE A 57 8.223 2.341 -2.989 1.00 0.00 N ATOM 801 CA PHE A 57 8.241 1.172 -2.118 1.00 0.00 C ATOM 802 C PHE A 57 7.001 1.136 -1.230 1.00 0.00 C ATOM 803 O PHE A 57 7.090 0.871 -0.031 1.00 0.00 O ATOM 804 CB PHE A 57 9.503 1.175 -1.252 1.00 0.00 C ATOM 805 CG PHE A 57 10.749 0.809 -2.007 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.255 1.652 -2.984 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.414 -0.376 -1.740 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.401 1.317 -3.680 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.561 -0.716 -2.433 1.00 0.00 C ATOM 810 CZ PHE A 57 13.056 0.133 -3.403 1.00 0.00 C ATOM 0 H PHE A 57 8.755 3.137 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 57 8.242 0.281 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.631 2.165 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.369 0.476 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.748 2.580 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.032 -1.043 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.784 1.981 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.069 -1.644 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.953 -0.128 -3.944 1.00 0.00 H new ATOM 820 N PHE A 58 5.845 1.404 -1.828 1.00 0.00 N ATOM 821 CA PHE A 58 4.586 1.404 -1.092 1.00 0.00 C ATOM 822 C PHE A 58 4.216 -0.008 -0.647 1.00 0.00 C ATOM 823 O PHE A 58 3.977 -0.890 -1.473 1.00 0.00 O ATOM 824 CB PHE A 58 3.466 1.988 -1.956 1.00 0.00 C ATOM 825 CG PHE A 58 2.816 0.979 -2.859 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.572 0.254 -3.766 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.450 0.755 -2.800 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.977 -0.676 -4.599 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.850 -0.174 -3.629 1.00 0.00 C ATOM 830 CZ PHE A 58 1.615 -0.889 -4.530 1.00 0.00 C ATOM 0 H PHE A 58 5.754 1.624 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 58 4.713 2.024 -0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.707 2.424 -1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.871 2.798 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.638 0.417 -3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.847 1.313 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.577 -1.235 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.216 -0.341 -3.572 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.148 -1.614 -5.180 1.00 0.00 H new ATOM 840 N LYS A 59 4.172 -0.216 0.665 1.00 0.00 N ATOM 841 CA LYS A 59 3.831 -1.520 1.222 1.00 0.00 C ATOM 842 C LYS A 59 2.329 -1.772 1.136 1.00 0.00 C ATOM 843 O LYS A 59 1.545 -1.173 1.874 1.00 0.00 O ATOM 844 CB LYS A 59 4.292 -1.611 2.678 1.00 0.00 C ATOM 845 CG LYS A 59 5.801 -1.672 2.836 1.00 0.00 C ATOM 846 CD LYS A 59 6.338 -3.059 2.523 1.00 0.00 C ATOM 847 CE LYS A 59 6.193 -3.995 3.713 1.00 0.00 C ATOM 848 NZ LYS A 59 7.092 -5.177 3.602 1.00 0.00 N ATOM 0 H LYS A 59 4.368 0.502 1.362 1.00 0.00 H new ATOM 0 HA LYS A 59 4.344 -2.283 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.913 -0.748 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.851 -2.497 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.267 -0.942 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.073 -1.397 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.805 -3.472 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.388 -2.988 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.418 -3.453 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.159 -4.331 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.522 -6.035 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.735 -5.050 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.648 -5.273 4.475 1.00 0.00 H new ATOM 862 N CYS A 60 1.934 -2.663 0.233 1.00 0.00 N ATOM 863 CA CYS A 60 0.526 -2.996 0.052 1.00 0.00 C ATOM 864 C CYS A 60 -0.223 -2.935 1.380 1.00 0.00 C ATOM 865 O CYS A 60 0.245 -3.424 2.408 1.00 0.00 O ATOM 866 CB CYS A 60 0.385 -4.390 -0.562 1.00 0.00 C ATOM 867 SG CYS A 60 -1.334 -4.981 -0.678 1.00 0.00 S ATOM 0 H CYS A 60 2.569 -3.168 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 60 0.089 -2.262 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.823 -4.382 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.962 -5.098 0.034 1.00 0.00 H new ATOM 872 N PRO A 61 -1.415 -2.319 1.359 1.00 0.00 N ATOM 873 CA PRO A 61 -2.255 -2.180 2.552 1.00 0.00 C ATOM 874 C PRO A 61 -2.841 -3.512 3.007 1.00 0.00 C ATOM 875 O PRO A 61 -2.972 -3.767 4.205 1.00 0.00 O ATOM 876 CB PRO A 61 -3.368 -1.235 2.094 1.00 0.00 C ATOM 877 CG PRO A 61 -3.439 -1.421 0.617 1.00 0.00 C ATOM 878 CD PRO A 61 -2.034 -1.713 0.168 1.00 0.00 C ATOM 0 HA PRO A 61 -1.689 -1.811 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.317 -1.481 2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.141 -0.201 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.109 -2.241 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.827 -0.527 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.017 -2.393 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.513 -0.806 -0.138 1.00 0.00 H new ATOM 886 N LEU A 62 -3.191 -4.358 2.045 1.00 0.00 N ATOM 887 CA LEU A 62 -3.763 -5.666 2.348 1.00 0.00 C ATOM 888 C LEU A 62 -2.718 -6.587 2.970 1.00 0.00 C ATOM 889 O LEU A 62 -2.977 -7.247 3.976 1.00 0.00 O ATOM 890 CB LEU A 62 -4.329 -6.303 1.078 1.00 0.00 C ATOM 891 CG LEU A 62 -5.627 -5.697 0.544 1.00 0.00 C ATOM 892 CD1 LEU A 62 -5.954 -6.259 -0.831 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.773 -5.952 1.513 1.00 0.00 C ATOM 0 H LEU A 62 -3.089 -4.162 1.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.570 -5.525 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.573 -6.239 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.499 -7.362 1.271 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.490 -4.620 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.881 -5.816 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.144 -6.024 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.071 -7.341 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.689 -5.514 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.910 -7.026 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.542 -5.499 2.477 1.00 0.00 H new ATOM 905 N CYS A 63 -1.535 -6.624 2.366 1.00 0.00 N ATOM 906 CA CYS A 63 -0.449 -7.462 2.861 1.00 0.00 C ATOM 907 C CYS A 63 0.872 -6.699 2.854 1.00 0.00 C ATOM 908 O CYS A 63 1.394 -6.348 1.795 1.00 0.00 O ATOM 909 CB CYS A 63 -0.325 -8.727 2.010 1.00 0.00 C ATOM 910 SG CYS A 63 0.129 -8.414 0.274 1.00 0.00 S ATOM 0 H CYS A 63 -1.304 -6.083 1.533 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.680 -7.745 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.423 -9.381 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.274 -9.263 2.035 1.00 0.00 H new ATOM 915 N LYS A 64 1.409 -6.446 4.042 1.00 0.00 N ATOM 916 CA LYS A 64 2.671 -5.727 4.175 1.00 0.00 C ATOM 917 C LYS A 64 3.814 -6.513 3.541 1.00 0.00 C ATOM 918 O LYS A 64 4.617 -7.133 4.239 1.00 0.00 O ATOM 919 CB LYS A 64 2.977 -5.462 5.651 1.00 0.00 C ATOM 920 CG LYS A 64 1.943 -4.587 6.339 1.00 0.00 C ATOM 921 CD LYS A 64 2.219 -3.111 6.106 1.00 0.00 C ATOM 922 CE LYS A 64 3.337 -2.604 7.004 1.00 0.00 C ATOM 923 NZ LYS A 64 2.927 -2.570 8.435 1.00 0.00 N ATOM 0 H LYS A 64 0.990 -6.728 4.928 1.00 0.00 H new ATOM 0 HA LYS A 64 2.575 -4.775 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.042 -6.415 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.954 -4.986 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.949 -4.836 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.944 -4.794 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.488 -2.951 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.312 -2.536 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.212 -3.245 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.632 -1.604 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.563 -1.939 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.951 -2.219 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.981 -3.529 8.834 1.00 0.00 H new ATOM 937 N THR A 65 3.884 -6.481 2.214 1.00 0.00 N ATOM 938 CA THR A 65 4.929 -7.190 1.486 1.00 0.00 C ATOM 939 C THR A 65 5.876 -6.215 0.796 1.00 0.00 C ATOM 940 O THR A 65 5.447 -5.196 0.255 1.00 0.00 O ATOM 941 CB THR A 65 4.333 -8.142 0.432 1.00 0.00 C ATOM 942 OG1 THR A 65 3.322 -8.961 1.028 1.00 0.00 O ATOM 943 CG2 THR A 65 5.415 -9.022 -0.175 1.00 0.00 C ATOM 0 H THR A 65 3.229 -5.971 1.621 1.00 0.00 H new ATOM 0 HA THR A 65 5.484 -7.774 2.220 1.00 0.00 H new ATOM 0 HB THR A 65 3.890 -7.540 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.440 -8.676 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.971 -9.686 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.168 -8.395 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.883 -9.616 0.610 1.00 0.00 H new ATOM 951 N SER A 66 7.166 -6.534 0.819 1.00 0.00 N ATOM 952 CA SER A 66 8.175 -5.683 0.198 1.00 0.00 C ATOM 953 C SER A 66 8.004 -5.657 -1.318 1.00 0.00 C ATOM 954 O SER A 66 8.026 -6.698 -1.975 1.00 0.00 O ATOM 955 CB SER A 66 9.578 -6.176 0.556 1.00 0.00 C ATOM 956 OG SER A 66 9.756 -7.529 0.176 1.00 0.00 O ATOM 0 H SER A 66 7.537 -7.375 1.261 1.00 0.00 H new ATOM 0 HA SER A 66 8.046 -4.670 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.323 -5.555 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.741 -6.072 1.629 1.00 0.00 H new ATOM 0 HG SER A 66 9.253 -7.707 -0.646 1.00 0.00 H new ATOM 962 N VAL A 67 7.835 -4.459 -1.867 1.00 0.00 N ATOM 963 CA VAL A 67 7.661 -4.295 -3.306 1.00 0.00 C ATOM 964 C VAL A 67 8.292 -2.994 -3.790 1.00 0.00 C ATOM 965 O VAL A 67 8.432 -2.038 -3.027 1.00 0.00 O ATOM 966 CB VAL A 67 6.172 -4.308 -3.697 1.00 0.00 C ATOM 967 CG1 VAL A 67 6.012 -4.117 -5.198 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.513 -5.601 -3.242 1.00 0.00 C ATOM 0 H VAL A 67 7.815 -3.587 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 67 8.161 -5.138 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 67 5.675 -3.478 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.953 -4.129 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.446 -3.161 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.522 -4.924 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.461 -5.593 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.010 -6.448 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.595 -5.690 -2.159 1.00 0.00 H new ATOM 978 N ARG A 68 8.669 -2.964 -5.064 1.00 0.00 N ATOM 979 CA ARG A 68 9.285 -1.780 -5.651 1.00 0.00 C ATOM 980 C ARG A 68 8.430 -1.229 -6.788 1.00 0.00 C ATOM 981 O ARG A 68 7.498 -1.886 -7.253 1.00 0.00 O ATOM 982 CB ARG A 68 10.687 -2.111 -6.167 1.00 0.00 C ATOM 983 CG ARG A 68 11.603 -2.699 -5.107 1.00 0.00 C ATOM 984 CD ARG A 68 11.558 -4.219 -5.112 1.00 0.00 C ATOM 985 NE ARG A 68 12.745 -4.804 -4.493 1.00 0.00 N ATOM 986 CZ ARG A 68 12.873 -4.995 -3.185 1.00 0.00 C ATOM 987 NH1 ARG A 68 11.893 -4.650 -2.362 1.00 0.00 N ATOM 988 NH2 ARG A 68 13.984 -5.533 -2.698 1.00 0.00 N ATOM 0 H ARG A 68 8.559 -3.746 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 68 9.361 -1.018 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.603 -2.816 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.142 -1.204 -6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.625 -2.364 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.309 -2.329 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.668 -4.557 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.471 -4.576 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 68 13.518 -5.081 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.037 -4.237 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.994 -4.798 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.740 -5.800 -3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.082 -5.679 -1.693 1.00 0.00 H new ATOM 1002 N LYS A 69 8.752 -0.019 -7.232 1.00 0.00 N ATOM 1003 CA LYS A 69 8.015 0.621 -8.315 1.00 0.00 C ATOM 1004 C LYS A 69 8.954 1.024 -9.448 1.00 0.00 C ATOM 1005 O LYS A 69 9.849 1.847 -9.262 1.00 0.00 O ATOM 1006 CB LYS A 69 7.270 1.852 -7.794 1.00 0.00 C ATOM 1007 CG LYS A 69 5.876 1.545 -7.276 1.00 0.00 C ATOM 1008 CD LYS A 69 4.912 1.246 -8.412 1.00 0.00 C ATOM 1009 CE LYS A 69 3.699 0.469 -7.924 1.00 0.00 C ATOM 1010 NZ LYS A 69 2.596 1.373 -7.498 1.00 0.00 N ATOM 0 H LYS A 69 9.520 0.539 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 69 7.292 -0.097 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.853 2.308 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.197 2.588 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.918 0.692 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.507 2.392 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.587 2.180 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.425 0.674 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.344 -0.187 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.988 -0.169 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.788 0.805 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.926 1.982 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.302 1.964 -8.301 1.00 0.00 H new ATOM 1024 N ASN A 70 8.741 0.440 -10.622 1.00 0.00 N ATOM 1025 CA ASN A 70 9.568 0.739 -11.786 1.00 0.00 C ATOM 1026 C ASN A 70 8.878 1.749 -12.698 1.00 0.00 C ATOM 1027 O ASN A 70 8.160 1.374 -13.625 1.00 0.00 O ATOM 1028 CB ASN A 70 9.873 -0.543 -12.564 1.00 0.00 C ATOM 1029 CG ASN A 70 10.940 -0.337 -13.622 1.00 0.00 C ATOM 1030 OD1 ASN A 70 12.135 -0.356 -13.326 1.00 0.00 O ATOM 1031 ND2 ASN A 70 10.512 -0.139 -14.863 1.00 0.00 N ATOM 0 H ASN A 70 8.003 -0.243 -10.793 1.00 0.00 H new ATOM 0 HA ASN A 70 10.504 1.174 -11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.199 -1.318 -11.870 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.960 -0.903 -13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.183 0.005 -15.617 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.512 -0.131 -15.062 1.00 0.00 H new ATOM 1038 N ALA A 71 9.101 3.031 -12.428 1.00 0.00 N ATOM 1039 CA ALA A 71 8.504 4.095 -13.226 1.00 0.00 C ATOM 1040 C ALA A 71 9.550 5.123 -13.640 1.00 0.00 C ATOM 1041 O ALA A 71 9.788 6.101 -12.930 1.00 0.00 O ATOM 1042 CB ALA A 71 7.378 4.765 -12.452 1.00 0.00 C ATOM 0 H ALA A 71 9.691 3.358 -11.663 1.00 0.00 H new ATOM 0 HA ALA A 71 8.093 3.650 -14.132 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.941 5.558 -13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.612 4.027 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.773 5.191 -11.530 1.00 0.00 H new ATOM 1048 N ILE A 72 10.172 4.896 -14.792 1.00 0.00 N ATOM 1049 CA ILE A 72 11.193 5.805 -15.300 1.00 0.00 C ATOM 1050 C ILE A 72 10.671 6.610 -16.485 1.00 0.00 C ATOM 1051 O ILE A 72 9.977 6.079 -17.353 1.00 0.00 O ATOM 1052 CB ILE A 72 12.461 5.043 -15.730 1.00 0.00 C ATOM 1053 CG1 ILE A 72 13.526 6.022 -16.229 1.00 0.00 C ATOM 1054 CG2 ILE A 72 12.126 4.022 -16.807 1.00 0.00 C ATOM 1055 CD1 ILE A 72 14.914 5.425 -16.289 1.00 0.00 C ATOM 0 H ILE A 72 9.987 4.091 -15.391 1.00 0.00 H new ATOM 0 HA ILE A 72 11.445 6.484 -14.485 1.00 0.00 H new ATOM 0 HB ILE A 72 12.859 4.512 -14.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.247 6.374 -17.222 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.542 6.894 -15.575 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.032 3.492 -17.100 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.398 3.309 -16.419 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.707 4.532 -17.674 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.617 6.175 -16.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 15.213 5.098 -15.293 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.914 4.571 -16.966 1.00 0.00 H new ATOM 1067 N ARG A 73 11.011 7.894 -16.517 1.00 0.00 N ATOM 1068 CA ARG A 73 10.578 8.774 -17.596 1.00 0.00 C ATOM 1069 C ARG A 73 10.964 8.197 -18.955 1.00 0.00 C ATOM 1070 O ARG A 73 10.740 8.822 -19.991 1.00 0.00 O ATOM 1071 CB ARG A 73 11.192 10.165 -17.427 1.00 0.00 C ATOM 1072 CG ARG A 73 10.367 11.092 -16.550 1.00 0.00 C ATOM 1073 CD ARG A 73 10.619 10.832 -15.073 1.00 0.00 C ATOM 1074 NE ARG A 73 9.525 11.321 -14.237 1.00 0.00 N ATOM 1075 CZ ARG A 73 8.297 10.817 -14.265 1.00 0.00 C ATOM 1076 NH1 ARG A 73 8.007 9.813 -15.081 1.00 0.00 N ATOM 1077 NH2 ARG A 73 7.355 11.316 -13.473 1.00 0.00 N ATOM 0 H ARG A 73 11.586 8.349 -15.807 1.00 0.00 H new ATOM 0 HA ARG A 73 9.492 8.857 -17.550 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.188 10.063 -16.997 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.314 10.621 -18.410 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.610 12.128 -16.785 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.308 10.955 -16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.749 9.762 -14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.549 11.316 -14.773 1.00 0.00 H new ATOM 0 HE ARG A 73 9.715 12.092 -13.597 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.728 9.426 -15.689 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.063 9.428 -15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.575 12.087 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.412 10.928 -13.495 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.457 2.575 -3.967 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.291 -7.300 -1.065 1.00 0.00 ZN