USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 769 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 Single : A 3 SER OG : rot 33:sc= 0.326 USER MOD Single : A 7 MET CE :methyl 151:sc= 0 (180deg=-0.0738) USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -175:sc= -0.154 (180deg=-0.254) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 19 GLN : amide:sc= -0.509 K(o=-0.51,f=-2.3) USER MOD Single : A 20 MET CE :methyl -165:sc= -0.101 (180deg=-0.408) USER MOD Single : A 26 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.76) USER MOD Single : A 27 GLN : amide:sc= -0.943 K(o=-0.94,f=-6.9!) USER MOD Single : A 31 SER OG : rot -87:sc= 1.18 USER MOD Single : A 32 ASN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 57 SER OG : rot -86:sc= 0.655 USER MOD Single : A 63 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.2) USER MOD Single : A 68 CYS SG : rot 75:sc= -1.03! USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.19) USER MOD Single : A 72 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-5.4!) USER MOD Single : A 74 SER OG : rot -35:sc= 0.397 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.427 USER MOD Single : A 85 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.3) USER MOD Single : A 90 GLN : amide:sc= -3.04! K(o=-3!,f=-0.46) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 99 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.0074) USER MOD Single : A 103 SER OG : rot 76:sc= 1.25 USER MOD Single : A 106 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.2!) USER MOD Single : A 112 MET CE :methyl 162:sc= -7.61! (180deg=-8.59!) USER MOD Single : A 113 LYS NZ :NH3+ 152:sc= 1.27 (180deg=0.878) USER MOD Single : A 114 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.1) USER MOD Single : A 119 HIS : no HD1:sc= 0.0542 K(o=0.054,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.369 4.795 -2.722 1.00 0.00 N ATOM 38 CA SER A 3 -22.291 4.426 -1.339 1.00 0.00 C ATOM 39 C SER A 3 -20.889 4.720 -0.824 1.00 0.00 C ATOM 40 O SER A 3 -19.909 4.561 -1.567 1.00 0.00 O ATOM 41 CB SER A 3 -22.609 2.939 -1.193 1.00 0.00 C ATOM 42 OG SER A 3 -23.765 2.590 -1.945 1.00 0.00 O ATOM 0 HA SER A 3 -23.013 4.999 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.759 2.347 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.768 2.699 -0.142 1.00 0.00 H new ATOM 0 HG SER A 3 -23.811 3.146 -2.751 1.00 0.00 H new ATOM 48 N PRO A 4 -20.765 5.167 0.440 1.00 0.00 N ATOM 49 CA PRO A 4 -19.470 5.481 1.039 1.00 0.00 C ATOM 50 C PRO A 4 -18.495 4.320 0.907 1.00 0.00 C ATOM 51 O PRO A 4 -17.290 4.518 0.857 1.00 0.00 O ATOM 52 CB PRO A 4 -19.793 5.755 2.522 1.00 0.00 C ATOM 53 CG PRO A 4 -21.206 5.305 2.716 1.00 0.00 C ATOM 54 CD PRO A 4 -21.871 5.406 1.375 1.00 0.00 C ATOM 0 HA PRO A 4 -18.989 6.327 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.114 5.210 3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.683 6.813 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.240 4.282 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.715 5.930 3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.663 4.666 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.325 6.385 1.222 1.00 0.00 H new ATOM 62 N ALA A 5 -19.038 3.118 0.814 1.00 0.00 N ATOM 63 CA ALA A 5 -18.242 1.920 0.673 1.00 0.00 C ATOM 64 C ALA A 5 -17.417 1.934 -0.612 1.00 0.00 C ATOM 65 O ALA A 5 -16.264 1.516 -0.608 1.00 0.00 O ATOM 66 CB ALA A 5 -19.136 0.693 0.698 1.00 0.00 C ATOM 0 H ALA A 5 -20.044 2.950 0.835 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.549 1.885 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.526 -0.204 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.675 0.655 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.850 0.746 -0.124 1.00 0.00 H new ATOM 72 N GLU A 6 -17.989 2.450 -1.706 1.00 0.00 N ATOM 73 CA GLU A 6 -17.307 2.399 -2.992 1.00 0.00 C ATOM 74 C GLU A 6 -16.099 3.321 -3.014 1.00 0.00 C ATOM 75 O GLU A 6 -14.997 2.908 -3.385 1.00 0.00 O ATOM 76 CB GLU A 6 -18.275 2.724 -4.132 1.00 0.00 C ATOM 77 CG GLU A 6 -17.756 2.329 -5.507 1.00 0.00 C ATOM 78 CD GLU A 6 -18.828 2.397 -6.571 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.654 3.139 -7.555 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.859 1.706 -6.428 1.00 0.00 O ATOM 0 H GLU A 6 -18.905 2.898 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.943 1.382 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.221 2.214 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.484 3.794 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.932 2.986 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.355 1.316 -5.464 1.00 0.00 H new ATOM 87 N MET A 7 -16.309 4.566 -2.621 1.00 0.00 N ATOM 88 CA MET A 7 -15.217 5.539 -2.556 1.00 0.00 C ATOM 89 C MET A 7 -14.079 5.042 -1.658 1.00 0.00 C ATOM 90 O MET A 7 -12.906 5.337 -1.908 1.00 0.00 O ATOM 91 CB MET A 7 -15.726 6.935 -2.121 1.00 0.00 C ATOM 92 CG MET A 7 -16.278 7.029 -0.700 1.00 0.00 C ATOM 93 SD MET A 7 -14.989 7.228 0.552 1.00 0.00 S ATOM 94 CE MET A 7 -15.979 7.396 2.037 1.00 0.00 C ATOM 0 H MET A 7 -17.219 4.932 -2.342 1.00 0.00 H new ATOM 0 HA MET A 7 -14.811 5.646 -3.562 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.906 7.647 -2.220 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.506 7.249 -2.815 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.967 7.871 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.853 6.130 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.418 7.021 2.893 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.222 8.447 2.195 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.900 6.823 1.927 1.00 0.00 H new ATOM 104 N VAL A 8 -14.427 4.283 -0.615 1.00 0.00 N ATOM 105 CA VAL A 8 -13.429 3.680 0.258 1.00 0.00 C ATOM 106 C VAL A 8 -12.518 2.754 -0.540 1.00 0.00 C ATOM 107 O VAL A 8 -11.291 2.840 -0.435 1.00 0.00 O ATOM 108 CB VAL A 8 -14.086 2.893 1.417 1.00 0.00 C ATOM 109 CG1 VAL A 8 -13.055 2.059 2.159 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.773 3.847 2.377 1.00 0.00 C ATOM 0 H VAL A 8 -15.392 4.075 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.839 4.489 0.689 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.830 2.220 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.541 1.515 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.596 1.350 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.286 2.713 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.231 3.280 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.039 4.540 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.543 4.407 1.845 1.00 0.00 H new ATOM 120 N LEU A 9 -13.126 1.891 -1.358 1.00 0.00 N ATOM 121 CA LEU A 9 -12.373 0.963 -2.207 1.00 0.00 C ATOM 122 C LEU A 9 -11.299 1.696 -2.984 1.00 0.00 C ATOM 123 O LEU A 9 -10.125 1.350 -2.910 1.00 0.00 O ATOM 124 CB LEU A 9 -13.297 0.249 -3.198 1.00 0.00 C ATOM 125 CG LEU A 9 -13.879 -1.090 -2.753 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.837 -0.923 -1.590 1.00 0.00 C ATOM 127 CD2 LEU A 9 -14.565 -1.776 -3.924 1.00 0.00 C ATOM 0 H LEU A 9 -14.139 1.815 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.911 0.226 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.125 0.918 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.744 0.088 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.057 -1.718 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.231 -1.897 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.310 -0.479 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.660 -0.272 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.977 -2.730 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.370 -1.142 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.841 -1.948 -4.720 1.00 0.00 H new ATOM 139 N GLU A 10 -11.717 2.718 -3.715 1.00 0.00 N ATOM 140 CA GLU A 10 -10.835 3.522 -4.535 1.00 0.00 C ATOM 141 C GLU A 10 -9.702 4.088 -3.709 1.00 0.00 C ATOM 142 O GLU A 10 -8.549 4.015 -4.095 1.00 0.00 O ATOM 143 CB GLU A 10 -11.624 4.679 -5.164 1.00 0.00 C ATOM 144 CG GLU A 10 -12.828 4.245 -5.991 1.00 0.00 C ATOM 145 CD GLU A 10 -13.653 5.424 -6.480 1.00 0.00 C ATOM 146 OE1 GLU A 10 -13.156 6.191 -7.334 1.00 0.00 O ATOM 147 OE2 GLU A 10 -14.799 5.590 -6.022 1.00 0.00 O ATOM 0 H GLU A 10 -12.693 3.013 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.420 2.885 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.965 5.344 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.953 5.258 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.486 3.665 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.458 3.588 -5.392 1.00 0.00 H new ATOM 154 N THR A 11 -10.039 4.611 -2.553 1.00 0.00 N ATOM 155 CA THR A 11 -9.066 5.260 -1.701 1.00 0.00 C ATOM 156 C THR A 11 -7.992 4.275 -1.227 1.00 0.00 C ATOM 157 O THR A 11 -6.787 4.555 -1.320 1.00 0.00 O ATOM 158 CB THR A 11 -9.751 5.925 -0.490 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.838 6.745 -0.948 1.00 0.00 O ATOM 160 CG2 THR A 11 -8.766 6.791 0.275 1.00 0.00 C ATOM 0 H THR A 11 -10.987 4.600 -2.178 1.00 0.00 H new ATOM 0 HA THR A 11 -8.579 6.034 -2.294 1.00 0.00 H new ATOM 0 HB THR A 11 -10.122 5.142 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.662 6.214 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.270 7.251 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.941 6.175 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.379 7.570 -0.382 1.00 0.00 H new ATOM 168 N LEU A 12 -8.425 3.117 -0.769 1.00 0.00 N ATOM 169 CA LEU A 12 -7.502 2.110 -0.264 1.00 0.00 C ATOM 170 C LEU A 12 -6.737 1.454 -1.395 1.00 0.00 C ATOM 171 O LEU A 12 -5.539 1.213 -1.285 1.00 0.00 O ATOM 172 CB LEU A 12 -8.232 1.050 0.567 1.00 0.00 C ATOM 173 CG LEU A 12 -8.549 1.429 2.021 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.606 2.509 2.089 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.986 0.211 2.802 1.00 0.00 C ATOM 0 H LEU A 12 -9.408 2.847 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.790 2.620 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.168 0.806 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.627 0.143 0.573 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.638 1.824 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.808 2.755 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.251 3.399 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.521 2.153 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.207 0.498 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.879 -0.214 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.188 -0.531 2.796 1.00 0.00 H new ATOM 187 N MET A 13 -7.424 1.199 -2.494 1.00 0.00 N ATOM 188 CA MET A 13 -6.816 0.564 -3.652 1.00 0.00 C ATOM 189 C MET A 13 -5.890 1.506 -4.385 1.00 0.00 C ATOM 190 O MET A 13 -5.092 1.087 -5.199 1.00 0.00 O ATOM 191 CB MET A 13 -7.868 -0.028 -4.585 1.00 0.00 C ATOM 192 CG MET A 13 -8.529 -1.257 -3.998 1.00 0.00 C ATOM 193 SD MET A 13 -7.320 -2.532 -3.593 1.00 0.00 S ATOM 194 CE MET A 13 -8.212 -3.480 -2.373 1.00 0.00 C ATOM 0 H MET A 13 -8.412 1.424 -2.610 1.00 0.00 H new ATOM 0 HA MET A 13 -6.208 -0.262 -3.283 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.628 0.724 -4.797 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.403 -0.287 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.081 -0.980 -3.100 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.254 -1.655 -4.708 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.590 -4.306 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.466 -2.839 -1.528 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.126 -3.875 -2.816 1.00 0.00 H new ATOM 204 N MET A 14 -5.981 2.773 -4.071 1.00 0.00 N ATOM 205 CA MET A 14 -5.100 3.754 -4.690 1.00 0.00 C ATOM 206 C MET A 14 -3.801 3.814 -3.921 1.00 0.00 C ATOM 207 O MET A 14 -2.728 3.949 -4.506 1.00 0.00 O ATOM 208 CB MET A 14 -5.732 5.143 -4.786 1.00 0.00 C ATOM 209 CG MET A 14 -6.641 5.318 -5.993 1.00 0.00 C ATOM 210 SD MET A 14 -7.163 7.030 -6.248 1.00 0.00 S ATOM 211 CE MET A 14 -8.109 7.335 -4.756 1.00 0.00 C ATOM 0 H MET A 14 -6.646 3.156 -3.399 1.00 0.00 H new ATOM 0 HA MET A 14 -4.914 3.431 -5.714 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.306 5.335 -3.879 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.940 5.891 -4.827 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.122 4.966 -6.885 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.523 4.690 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.569 8.322 -4.812 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.887 6.578 -4.657 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.448 7.291 -3.891 1.00 0.00 H new ATOM 221 N GLU A 15 -3.897 3.681 -2.599 1.00 0.00 N ATOM 222 CA GLU A 15 -2.717 3.664 -1.765 1.00 0.00 C ATOM 223 C GLU A 15 -2.015 2.351 -1.940 1.00 0.00 C ATOM 224 O GLU A 15 -0.828 2.302 -2.236 1.00 0.00 O ATOM 225 CB GLU A 15 -3.078 3.867 -0.290 1.00 0.00 C ATOM 226 CG GLU A 15 -3.683 5.219 0.023 1.00 0.00 C ATOM 227 CD GLU A 15 -2.742 6.360 -0.282 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.886 6.668 0.562 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.865 6.963 -1.369 1.00 0.00 O ATOM 0 H GLU A 15 -4.778 3.585 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.063 4.483 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.780 3.089 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.180 3.736 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.600 5.345 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.961 5.254 1.076 1.00 0.00 H new ATOM 236 N LEU A 16 -2.776 1.282 -1.795 1.00 0.00 N ATOM 237 CA LEU A 16 -2.253 -0.055 -1.931 1.00 0.00 C ATOM 238 C LEU A 16 -1.537 -0.232 -3.260 1.00 0.00 C ATOM 239 O LEU A 16 -0.419 -0.716 -3.306 1.00 0.00 O ATOM 240 CB LEU A 16 -3.386 -1.077 -1.816 1.00 0.00 C ATOM 241 CG LEU A 16 -2.976 -2.540 -2.015 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.993 -2.980 -0.938 1.00 0.00 C ATOM 243 CD2 LEU A 16 -4.197 -3.438 -2.025 1.00 0.00 C ATOM 0 H LEU A 16 -3.772 1.321 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.533 -0.218 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.844 -0.977 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.152 -0.829 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.478 -2.625 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.717 -4.022 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.100 -2.357 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.457 -2.877 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.886 -4.473 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.725 -3.345 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.859 -3.143 -2.839 1.00 0.00 H new ATOM 255 N THR A 17 -2.175 0.200 -4.320 1.00 0.00 N ATOM 256 CA THR A 17 -1.617 0.012 -5.655 1.00 0.00 C ATOM 257 C THR A 17 -0.389 0.887 -5.905 1.00 0.00 C ATOM 258 O THR A 17 0.688 0.379 -6.249 1.00 0.00 O ATOM 259 CB THR A 17 -2.657 0.253 -6.756 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.761 -0.640 -6.573 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.056 0.034 -8.139 1.00 0.00 C ATOM 0 H THR A 17 -3.074 0.681 -4.295 1.00 0.00 H new ATOM 0 HA THR A 17 -1.304 -1.031 -5.696 1.00 0.00 H new ATOM 0 HB THR A 17 -2.994 1.287 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.405 -0.241 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.817 0.212 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.226 0.724 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.695 -0.991 -8.221 1.00 0.00 H new ATOM 269 N GLY A 18 -0.542 2.188 -5.711 1.00 0.00 N ATOM 270 CA GLY A 18 0.524 3.113 -5.983 1.00 0.00 C ATOM 271 C GLY A 18 1.736 2.857 -5.146 1.00 0.00 C ATOM 272 O GLY A 18 2.859 3.027 -5.609 1.00 0.00 O ATOM 0 H GLY A 18 -1.400 2.618 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.795 3.049 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.172 4.129 -5.805 1.00 0.00 H new ATOM 276 N GLN A 19 1.520 2.405 -3.929 1.00 0.00 N ATOM 277 CA GLN A 19 2.608 2.173 -3.021 1.00 0.00 C ATOM 278 C GLN A 19 3.200 0.790 -3.216 1.00 0.00 C ATOM 279 O GLN A 19 4.380 0.597 -3.012 1.00 0.00 O ATOM 280 CB GLN A 19 2.170 2.397 -1.579 1.00 0.00 C ATOM 281 CG GLN A 19 1.749 3.835 -1.297 1.00 0.00 C ATOM 282 CD GLN A 19 1.141 4.016 0.077 1.00 0.00 C ATOM 283 OE1 GLN A 19 0.540 3.104 0.627 1.00 0.00 O ATOM 284 NE2 GLN A 19 1.286 5.199 0.635 1.00 0.00 N ATOM 0 H GLN A 19 0.597 2.192 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 19 3.393 2.896 -3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.339 1.730 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.988 2.127 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.617 4.487 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.028 4.151 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.794 5.935 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.890 5.380 1.558 1.00 0.00 H new ATOM 293 N MET A 20 2.376 -0.175 -3.619 1.00 0.00 N ATOM 294 CA MET A 20 2.876 -1.528 -3.900 1.00 0.00 C ATOM 295 C MET A 20 3.787 -1.483 -5.104 1.00 0.00 C ATOM 296 O MET A 20 4.862 -2.082 -5.126 1.00 0.00 O ATOM 297 CB MET A 20 1.714 -2.495 -4.171 1.00 0.00 C ATOM 298 CG MET A 20 2.146 -3.906 -4.550 1.00 0.00 C ATOM 299 SD MET A 20 0.759 -4.959 -5.035 1.00 0.00 S ATOM 300 CE MET A 20 -0.207 -4.974 -3.526 1.00 0.00 C ATOM 0 H MET A 20 1.373 -0.053 -3.758 1.00 0.00 H new ATOM 0 HA MET A 20 3.426 -1.885 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.085 -2.547 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.098 -2.089 -4.973 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.861 -3.854 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.664 -4.361 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.941 -5.779 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.453 -5.132 -2.673 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.722 -4.020 -3.414 1.00 0.00 H new ATOM 310 N ARG A 21 3.342 -0.751 -6.087 1.00 0.00 N ATOM 311 CA ARG A 21 4.090 -0.596 -7.308 1.00 0.00 C ATOM 312 C ARG A 21 5.337 0.252 -7.054 1.00 0.00 C ATOM 313 O ARG A 21 6.441 -0.113 -7.470 1.00 0.00 O ATOM 314 CB ARG A 21 3.217 0.002 -8.407 1.00 0.00 C ATOM 315 CG ARG A 21 3.652 -0.385 -9.812 1.00 0.00 C ATOM 316 CD ARG A 21 3.796 -1.902 -9.958 1.00 0.00 C ATOM 317 NE ARG A 21 2.613 -2.630 -9.470 1.00 0.00 N ATOM 318 CZ ARG A 21 2.657 -3.787 -8.784 1.00 0.00 C ATOM 319 NH1 ARG A 21 3.817 -4.387 -8.551 1.00 0.00 N ATOM 320 NH2 ARG A 21 1.535 -4.350 -8.353 1.00 0.00 N ATOM 0 H ARG A 21 2.456 -0.247 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 21 4.413 -1.579 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.186 -0.318 -8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.230 1.088 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.923 -0.017 -10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.602 0.096 -10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.963 -2.149 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.676 -2.235 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 21 1.696 -2.229 -9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.684 -3.972 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.842 -5.264 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.636 -3.906 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.571 -5.227 -7.833 1.00 0.00 H new ATOM 334 N GLU A 22 5.152 1.388 -6.377 1.00 0.00 N ATOM 335 CA GLU A 22 6.278 2.242 -5.978 1.00 0.00 C ATOM 336 C GLU A 22 7.298 1.460 -5.154 1.00 0.00 C ATOM 337 O GLU A 22 8.507 1.550 -5.395 1.00 0.00 O ATOM 338 CB GLU A 22 5.785 3.455 -5.186 1.00 0.00 C ATOM 339 CG GLU A 22 6.896 4.322 -4.619 1.00 0.00 C ATOM 340 CD GLU A 22 6.382 5.616 -4.041 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.263 6.601 -4.800 1.00 0.00 O ATOM 342 OE2 GLU A 22 6.097 5.668 -2.833 1.00 0.00 O ATOM 0 H GLU A 22 4.237 1.739 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 22 6.766 2.591 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.157 4.067 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.156 3.108 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.426 3.767 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.619 4.541 -5.405 1.00 0.00 H new ATOM 349 N ALA A 23 6.804 0.673 -4.201 1.00 0.00 N ATOM 350 CA ALA A 23 7.681 -0.127 -3.341 1.00 0.00 C ATOM 351 C ALA A 23 8.511 -1.096 -4.167 1.00 0.00 C ATOM 352 O ALA A 23 9.688 -1.314 -3.883 1.00 0.00 O ATOM 353 CB ALA A 23 6.878 -0.883 -2.294 1.00 0.00 C ATOM 0 H ALA A 23 5.809 0.570 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 23 8.356 0.558 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.554 -1.468 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.332 -0.174 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.172 -1.550 -2.789 1.00 0.00 H new ATOM 359 N GLU A 24 7.897 -1.654 -5.204 1.00 0.00 N ATOM 360 CA GLU A 24 8.575 -2.598 -6.085 1.00 0.00 C ATOM 361 C GLU A 24 9.730 -1.917 -6.808 1.00 0.00 C ATOM 362 O GLU A 24 10.864 -2.414 -6.816 1.00 0.00 O ATOM 363 CB GLU A 24 7.601 -3.142 -7.122 1.00 0.00 C ATOM 364 CG GLU A 24 8.240 -4.083 -8.127 1.00 0.00 C ATOM 365 CD GLU A 24 7.557 -4.041 -9.470 1.00 0.00 C ATOM 366 OE1 GLU A 24 6.316 -4.142 -9.513 1.00 0.00 O ATOM 367 OE2 GLU A 24 8.258 -3.912 -10.493 1.00 0.00 O ATOM 0 H GLU A 24 6.926 -1.468 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 24 8.959 -3.415 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.794 -3.666 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.149 -2.306 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.291 -3.821 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.209 -5.101 -7.738 1.00 0.00 H new ATOM 374 N ARG A 25 9.437 -0.769 -7.405 1.00 0.00 N ATOM 375 CA ARG A 25 10.432 -0.026 -8.155 1.00 0.00 C ATOM 376 C ARG A 25 11.552 0.453 -7.263 1.00 0.00 C ATOM 377 O ARG A 25 12.718 0.371 -7.627 1.00 0.00 O ATOM 378 CB ARG A 25 9.810 1.171 -8.865 1.00 0.00 C ATOM 379 CG ARG A 25 8.976 0.819 -10.079 1.00 0.00 C ATOM 380 CD ARG A 25 8.728 2.050 -10.935 1.00 0.00 C ATOM 381 NE ARG A 25 9.990 2.704 -11.312 1.00 0.00 N ATOM 382 CZ ARG A 25 10.223 3.291 -12.484 1.00 0.00 C ATOM 383 NH1 ARG A 25 9.275 3.345 -13.409 1.00 0.00 N ATOM 384 NH2 ARG A 25 11.408 3.832 -12.720 1.00 0.00 N ATOM 0 H ARG A 25 8.515 -0.334 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 25 10.840 -0.710 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.185 1.713 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.606 1.849 -9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.486 0.057 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.024 0.393 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.181 1.766 -11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.100 2.754 -10.389 1.00 0.00 H new ATOM 0 HE ARG A 25 10.743 2.708 -10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.359 2.935 -13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.461 3.797 -14.304 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.136 3.797 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.593 4.283 -13.616 1.00 0.00 H new ATOM 398 N GLN A 26 11.194 0.937 -6.089 1.00 0.00 N ATOM 399 CA GLN A 26 12.165 1.480 -5.162 1.00 0.00 C ATOM 400 C GLN A 26 13.165 0.413 -4.748 1.00 0.00 C ATOM 401 O GLN A 26 14.362 0.664 -4.718 1.00 0.00 O ATOM 402 CB GLN A 26 11.467 2.077 -3.938 1.00 0.00 C ATOM 403 CG GLN A 26 12.356 2.993 -3.106 1.00 0.00 C ATOM 404 CD GLN A 26 12.884 4.181 -3.899 1.00 0.00 C ATOM 405 OE1 GLN A 26 12.247 4.653 -4.840 1.00 0.00 O ATOM 406 NE2 GLN A 26 14.042 4.671 -3.523 1.00 0.00 N ATOM 0 H GLN A 26 10.231 0.965 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 26 12.710 2.279 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.592 2.638 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.106 1.266 -3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.792 3.357 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.197 2.420 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.542 4.253 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.442 5.469 -4.016 1.00 0.00 H new ATOM 415 N GLN A 27 12.673 -0.786 -4.461 1.00 0.00 N ATOM 416 CA GLN A 27 13.542 -1.895 -4.073 1.00 0.00 C ATOM 417 C GLN A 27 14.502 -2.264 -5.202 1.00 0.00 C ATOM 418 O GLN A 27 15.679 -2.547 -4.968 1.00 0.00 O ATOM 419 CB GLN A 27 12.720 -3.126 -3.691 1.00 0.00 C ATOM 420 CG GLN A 27 11.888 -2.969 -2.428 1.00 0.00 C ATOM 421 CD GLN A 27 11.087 -4.221 -2.106 1.00 0.00 C ATOM 422 OE1 GLN A 27 10.009 -4.151 -1.520 1.00 0.00 O ATOM 423 NE2 GLN A 27 11.610 -5.376 -2.488 1.00 0.00 N ATOM 0 H GLN A 27 11.680 -1.017 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 27 14.119 -1.565 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.055 -3.373 -4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.396 -3.971 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.544 -2.735 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.208 -2.125 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.507 -5.394 -2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.115 -6.248 -2.298 1.00 0.00 H new ATOM 432 N ARG A 28 13.999 -2.245 -6.427 1.00 0.00 N ATOM 433 CA ARG A 28 14.802 -2.635 -7.583 1.00 0.00 C ATOM 434 C ARG A 28 15.788 -1.537 -7.977 1.00 0.00 C ATOM 435 O ARG A 28 16.938 -1.810 -8.317 1.00 0.00 O ATOM 436 CB ARG A 28 13.900 -2.996 -8.761 1.00 0.00 C ATOM 437 CG ARG A 28 14.650 -3.495 -9.988 1.00 0.00 C ATOM 438 CD ARG A 28 13.688 -3.962 -11.065 1.00 0.00 C ATOM 439 NE ARG A 28 12.771 -2.896 -11.479 1.00 0.00 N ATOM 440 CZ ARG A 28 11.440 -2.946 -11.351 1.00 0.00 C ATOM 441 NH1 ARG A 28 10.861 -4.000 -10.795 1.00 0.00 N ATOM 442 NH2 ARG A 28 10.693 -1.933 -11.775 1.00 0.00 N ATOM 0 H ARG A 28 13.043 -1.966 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 28 15.383 -3.514 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.194 -3.763 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.314 -2.120 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.281 -2.698 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.310 -4.315 -9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.253 -4.311 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.114 -4.811 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 28 13.176 -2.057 -11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.430 -4.778 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.846 -4.033 -10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.134 -1.116 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.678 -1.972 -11.677 1.00 0.00 H new ATOM 456 N GLU A 29 15.346 -0.302 -7.921 1.00 0.00 N ATOM 457 CA GLU A 29 16.202 0.814 -8.266 1.00 0.00 C ATOM 458 C GLU A 29 17.256 1.059 -7.179 1.00 0.00 C ATOM 459 O GLU A 29 18.381 1.454 -7.480 1.00 0.00 O ATOM 460 CB GLU A 29 15.364 2.069 -8.553 1.00 0.00 C ATOM 461 CG GLU A 29 14.534 1.950 -9.835 1.00 0.00 C ATOM 462 CD GLU A 29 13.588 3.115 -10.059 1.00 0.00 C ATOM 463 OE1 GLU A 29 14.058 4.219 -10.400 1.00 0.00 O ATOM 464 OE2 GLU A 29 12.364 2.927 -9.918 1.00 0.00 O ATOM 0 H GLU A 29 14.400 -0.043 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 29 16.742 0.566 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.698 2.256 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.026 2.931 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.208 1.872 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.957 1.026 -9.799 1.00 0.00 H new ATOM 471 N ARG A 30 16.896 0.782 -5.923 1.00 0.00 N ATOM 472 CA ARG A 30 17.825 0.936 -4.795 1.00 0.00 C ATOM 473 C ARG A 30 18.929 -0.126 -4.836 1.00 0.00 C ATOM 474 O ARG A 30 20.084 0.155 -4.515 1.00 0.00 O ATOM 475 CB ARG A 30 17.072 0.862 -3.457 1.00 0.00 C ATOM 476 CG ARG A 30 17.971 0.833 -2.224 1.00 0.00 C ATOM 477 CD ARG A 30 18.841 2.075 -2.130 1.00 0.00 C ATOM 478 NE ARG A 30 19.748 2.018 -0.987 1.00 0.00 N ATOM 479 CZ ARG A 30 20.281 3.091 -0.398 1.00 0.00 C ATOM 480 NH1 ARG A 30 20.005 4.309 -0.851 1.00 0.00 N ATOM 481 NH2 ARG A 30 21.088 2.942 0.641 1.00 0.00 N ATOM 0 H ARG A 30 15.968 0.450 -5.659 1.00 0.00 H new ATOM 0 HA ARG A 30 18.291 1.917 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.403 1.720 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.447 -0.031 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.356 0.751 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.605 -0.053 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.419 2.184 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.207 2.957 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 30 19.990 1.100 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.384 4.427 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.414 5.126 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.302 2.008 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.496 3.761 1.092 1.00 0.00 H new ATOM 495 N SER A 31 18.576 -1.335 -5.249 1.00 0.00 N ATOM 496 CA SER A 31 19.547 -2.415 -5.317 1.00 0.00 C ATOM 497 C SER A 31 20.521 -2.161 -6.454 1.00 0.00 C ATOM 498 O SER A 31 21.706 -2.459 -6.357 1.00 0.00 O ATOM 499 CB SER A 31 18.842 -3.765 -5.471 1.00 0.00 C ATOM 500 OG SER A 31 17.754 -3.670 -6.367 1.00 0.00 O ATOM 0 H SER A 31 17.632 -1.590 -5.540 1.00 0.00 H new ATOM 0 HA SER A 31 20.112 -2.448 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.551 -4.510 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.488 -4.107 -4.499 1.00 0.00 H new ATOM 0 HG SER A 31 16.951 -3.394 -5.878 1.00 0.00 H new ATOM 506 N ASN A 32 20.001 -1.582 -7.519 1.00 0.00 N ATOM 507 CA ASN A 32 20.813 -1.184 -8.655 1.00 0.00 C ATOM 508 C ASN A 32 21.718 -0.011 -8.266 1.00 0.00 C ATOM 509 O ASN A 32 22.874 0.067 -8.683 1.00 0.00 O ATOM 510 CB ASN A 32 19.902 -0.815 -9.845 1.00 0.00 C ATOM 511 CG ASN A 32 20.312 0.469 -10.548 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.110 0.455 -11.490 1.00 0.00 O ATOM 513 ND2 ASN A 32 19.764 1.583 -10.095 1.00 0.00 N ATOM 0 H ASN A 32 19.008 -1.374 -7.622 1.00 0.00 H new ATOM 0 HA ASN A 32 21.449 -2.016 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.910 -1.633 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.877 -0.714 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.996 2.478 -10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.109 1.548 -9.314 1.00 0.00 H new ATOM 862 N LEU A 56 -1.992 -8.031 -6.231 1.00 0.00 N ATOM 863 CA LEU A 56 -3.177 -8.241 -5.442 1.00 0.00 C ATOM 864 C LEU A 56 -3.973 -9.393 -6.016 1.00 0.00 C ATOM 865 O LEU A 56 -4.555 -9.281 -7.099 1.00 0.00 O ATOM 866 CB LEU A 56 -4.030 -6.978 -5.399 1.00 0.00 C ATOM 867 CG LEU A 56 -5.220 -7.025 -4.445 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.743 -7.201 -3.012 1.00 0.00 C ATOM 869 CD2 LEU A 56 -6.061 -5.770 -4.582 1.00 0.00 C ATOM 0 HA LEU A 56 -2.880 -8.483 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.393 -6.139 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.399 -6.775 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.842 -7.881 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.603 -7.233 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.183 -8.132 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.101 -6.365 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.905 -5.821 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.453 -4.897 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.430 -5.689 -5.604 1.00 0.00 H new ATOM 881 N SER A 57 -3.986 -10.495 -5.305 1.00 0.00 N ATOM 882 CA SER A 57 -4.688 -11.673 -5.750 1.00 0.00 C ATOM 883 C SER A 57 -6.198 -11.457 -5.658 1.00 0.00 C ATOM 884 O SER A 57 -6.670 -10.676 -4.818 1.00 0.00 O ATOM 885 CB SER A 57 -4.261 -12.882 -4.916 1.00 0.00 C ATOM 886 OG SER A 57 -4.494 -12.655 -3.539 1.00 0.00 O ATOM 0 H SER A 57 -3.513 -10.600 -4.407 1.00 0.00 H new ATOM 0 HA SER A 57 -4.435 -11.865 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.811 -13.765 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.203 -13.087 -5.081 1.00 0.00 H new ATOM 0 HG SER A 57 -3.727 -12.185 -3.151 1.00 0.00 H new ATOM 892 N PRO A 58 -6.980 -12.134 -6.522 1.00 0.00 N ATOM 893 CA PRO A 58 -8.441 -12.017 -6.535 1.00 0.00 C ATOM 894 C PRO A 58 -9.059 -12.298 -5.169 1.00 0.00 C ATOM 895 O PRO A 58 -10.095 -11.727 -4.814 1.00 0.00 O ATOM 896 CB PRO A 58 -8.893 -13.071 -7.561 1.00 0.00 C ATOM 897 CG PRO A 58 -7.692 -13.926 -7.806 1.00 0.00 C ATOM 898 CD PRO A 58 -6.502 -13.051 -7.566 1.00 0.00 C ATOM 0 HA PRO A 58 -8.759 -11.005 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.724 -13.662 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.235 -12.601 -8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.684 -14.787 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.691 -14.314 -8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.637 -13.626 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.204 -12.517 -8.468 1.00 0.00 H new ATOM 906 N ILE A 59 -8.409 -13.153 -4.394 1.00 0.00 N ATOM 907 CA ILE A 59 -8.890 -13.498 -3.073 1.00 0.00 C ATOM 908 C ILE A 59 -8.674 -12.341 -2.105 1.00 0.00 C ATOM 909 O ILE A 59 -9.583 -11.956 -1.377 1.00 0.00 O ATOM 910 CB ILE A 59 -8.202 -14.782 -2.528 1.00 0.00 C ATOM 911 CG1 ILE A 59 -8.671 -15.083 -1.100 1.00 0.00 C ATOM 912 CG2 ILE A 59 -6.680 -14.684 -2.602 1.00 0.00 C ATOM 913 CD1 ILE A 59 -7.878 -16.170 -0.413 1.00 0.00 C ATOM 0 H ILE A 59 -7.543 -13.621 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.958 -13.698 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.500 -15.613 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.608 -14.171 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.721 -15.374 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.237 -15.600 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.374 -14.546 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.341 -13.836 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.269 -16.326 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.961 -17.096 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.831 -15.874 -0.353 1.00 0.00 H new ATOM 925 N GLU A 60 -7.463 -11.785 -2.110 1.00 0.00 N ATOM 926 CA GLU A 60 -7.144 -10.645 -1.261 1.00 0.00 C ATOM 927 C GLU A 60 -8.043 -9.490 -1.610 1.00 0.00 C ATOM 928 O GLU A 60 -8.556 -8.808 -0.734 1.00 0.00 O ATOM 929 CB GLU A 60 -5.683 -10.233 -1.410 1.00 0.00 C ATOM 930 CG GLU A 60 -4.694 -11.232 -0.842 1.00 0.00 C ATOM 931 CD GLU A 60 -3.261 -10.813 -1.081 1.00 0.00 C ATOM 932 OE1 GLU A 60 -2.725 -11.118 -2.171 1.00 0.00 O ATOM 933 OE2 GLU A 60 -2.666 -10.179 -0.183 1.00 0.00 O ATOM 0 H GLU A 60 -6.690 -12.107 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.305 -10.935 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.465 -10.084 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.536 -9.272 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.865 -11.342 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.866 -12.209 -1.294 1.00 0.00 H new ATOM 940 N ARG A 61 -8.243 -9.292 -2.901 1.00 0.00 N ATOM 941 CA ARG A 61 -9.136 -8.255 -3.396 1.00 0.00 C ATOM 942 C ARG A 61 -10.497 -8.369 -2.731 1.00 0.00 C ATOM 943 O ARG A 61 -10.977 -7.429 -2.115 1.00 0.00 O ATOM 944 CB ARG A 61 -9.278 -8.363 -4.926 1.00 0.00 C ATOM 945 CG ARG A 61 -10.488 -7.629 -5.496 1.00 0.00 C ATOM 946 CD ARG A 61 -10.436 -6.140 -5.207 1.00 0.00 C ATOM 947 NE ARG A 61 -11.692 -5.475 -5.557 1.00 0.00 N ATOM 948 CZ ARG A 61 -11.821 -4.508 -6.468 1.00 0.00 C ATOM 949 NH1 ARG A 61 -10.766 -4.083 -7.159 1.00 0.00 N ATOM 950 NH2 ARG A 61 -13.013 -3.974 -6.681 1.00 0.00 N ATOM 0 H ARG A 61 -7.794 -9.842 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.711 -7.282 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.375 -7.968 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.344 -9.416 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.534 -7.788 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.400 -8.049 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.223 -5.982 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.617 -5.689 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.535 -5.774 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.848 -4.497 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.875 -3.343 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.821 -4.302 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.124 -3.234 -7.375 1.00 0.00 H new ATOM 964 N LEU A 62 -11.093 -9.527 -2.864 1.00 0.00 N ATOM 965 CA LEU A 62 -12.406 -9.795 -2.291 1.00 0.00 C ATOM 966 C LEU A 62 -12.409 -9.637 -0.774 1.00 0.00 C ATOM 967 O LEU A 62 -13.303 -9.000 -0.217 1.00 0.00 O ATOM 968 CB LEU A 62 -12.883 -11.192 -2.658 1.00 0.00 C ATOM 969 CG LEU A 62 -14.250 -11.567 -2.096 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.362 -10.851 -2.851 1.00 0.00 C ATOM 971 CD2 LEU A 62 -14.450 -13.072 -2.118 1.00 0.00 C ATOM 0 H LEU A 62 -10.690 -10.315 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.090 -9.058 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.916 -11.276 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.149 -11.916 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.291 -11.242 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.327 -11.135 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.229 -9.773 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.327 -11.132 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.432 -13.314 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.382 -13.433 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.679 -13.550 -1.513 1.00 0.00 H new ATOM 983 N GLN A 63 -11.413 -10.219 -0.110 1.00 0.00 N ATOM 984 CA GLN A 63 -11.321 -10.134 1.349 1.00 0.00 C ATOM 985 C GLN A 63 -11.267 -8.684 1.788 1.00 0.00 C ATOM 986 O GLN A 63 -12.018 -8.253 2.656 1.00 0.00 O ATOM 987 CB GLN A 63 -10.079 -10.860 1.862 1.00 0.00 C ATOM 988 CG GLN A 63 -10.082 -12.356 1.629 1.00 0.00 C ATOM 989 CD GLN A 63 -8.801 -13.004 2.101 1.00 0.00 C ATOM 990 OE1 GLN A 63 -8.693 -13.433 3.247 1.00 0.00 O ATOM 991 NE2 GLN A 63 -7.816 -13.069 1.227 1.00 0.00 N ATOM 0 H GLN A 63 -10.663 -10.751 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.207 -10.611 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.200 -10.432 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.980 -10.672 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.928 -12.803 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.220 -12.557 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.945 -12.701 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.925 -13.487 1.493 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.379 -7.942 1.164 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.186 -6.547 1.481 1.00 0.00 C ATOM 1002 C LEU A 64 -11.393 -5.723 1.090 1.00 0.00 C ATOM 1003 O LEU A 64 -11.736 -4.761 1.774 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.910 -6.000 0.822 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.586 -6.236 1.586 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.610 -5.528 2.925 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.309 -7.720 1.783 1.00 0.00 C ATOM 0 H LEU A 64 -9.771 -8.290 0.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.065 -6.469 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.818 -6.447 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.034 -4.927 0.676 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.781 -5.822 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.670 -5.706 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.741 -4.457 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.436 -5.911 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.371 -7.846 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.121 -8.169 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.237 -8.209 0.811 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.044 -6.097 -0.006 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.220 -5.392 -0.455 1.00 0.00 C ATOM 1021 C GLU A 65 -14.327 -5.543 0.558 1.00 0.00 C ATOM 1022 O GLU A 65 -15.042 -4.588 0.869 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.665 -5.912 -1.819 1.00 0.00 C ATOM 1024 CG GLU A 65 -14.766 -5.098 -2.459 1.00 0.00 C ATOM 1025 CD GLU A 65 -15.192 -5.657 -3.792 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -14.590 -5.287 -4.828 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.115 -6.482 -3.821 1.00 0.00 O ATOM 0 H GLU A 65 -11.771 -6.885 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.980 -4.334 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.805 -5.929 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.005 -6.942 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.626 -5.065 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.425 -4.071 -2.591 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.441 -6.743 1.082 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.425 -7.052 2.104 1.00 0.00 C ATOM 1036 C ASP A 66 -15.194 -6.179 3.327 1.00 0.00 C ATOM 1037 O ASP A 66 -16.138 -5.673 3.945 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.365 -8.537 2.480 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.456 -8.947 3.452 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -17.596 -9.203 3.002 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.175 -9.050 4.660 1.00 0.00 O ATOM 0 H ASP A 66 -13.856 -7.534 0.814 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.419 -6.844 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.447 -9.139 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.392 -8.756 2.921 1.00 0.00 H new ATOM 1046 N VAL A 67 -13.931 -5.974 3.651 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.568 -5.135 4.779 1.00 0.00 C ATOM 1048 C VAL A 67 -13.908 -3.669 4.495 1.00 0.00 C ATOM 1049 O VAL A 67 -14.447 -2.978 5.352 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.064 -5.254 5.130 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.739 -4.446 6.377 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.672 -6.709 5.322 1.00 0.00 C ATOM 0 H VAL A 67 -13.139 -6.376 3.150 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.147 -5.486 5.633 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.487 -4.850 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.678 -4.543 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.979 -3.397 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.327 -4.819 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.612 -6.771 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.258 -7.140 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.864 -7.262 4.403 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.604 -3.207 3.282 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.866 -1.831 2.893 1.00 0.00 C ATOM 1064 C CYS A 68 -15.362 -1.525 2.871 1.00 0.00 C ATOM 1065 O CYS A 68 -15.787 -0.480 3.336 1.00 0.00 O ATOM 1066 CB CYS A 68 -13.258 -1.546 1.521 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.480 -1.848 1.417 1.00 0.00 S ATOM 0 H CYS A 68 -13.173 -3.774 2.551 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.402 -1.185 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.763 -2.163 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.454 -0.506 1.259 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.259 -3.128 1.378 1.00 0.00 H new ATOM 1073 N VAL A 69 -16.162 -2.432 2.323 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.603 -2.205 2.278 1.00 0.00 C ATOM 1075 C VAL A 69 -18.210 -2.179 3.682 1.00 0.00 C ATOM 1076 O VAL A 69 -19.268 -1.587 3.895 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.361 -3.225 1.382 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -17.846 -3.177 -0.048 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -18.268 -4.633 1.941 1.00 0.00 C ATOM 0 H VAL A 69 -15.849 -3.312 1.912 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.730 -1.225 1.819 1.00 0.00 H new ATOM 0 HB VAL A 69 -19.413 -2.940 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.391 -3.899 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -17.993 -2.176 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -16.784 -3.421 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.809 -5.320 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -17.222 -4.934 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.706 -4.658 2.939 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.538 -2.814 4.637 1.00 0.00 N ATOM 1090 CA LYS A 70 -18.003 -2.812 6.015 1.00 0.00 C ATOM 1091 C LYS A 70 -17.296 -1.754 6.859 1.00 0.00 C ATOM 1092 O LYS A 70 -17.486 -1.704 8.074 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.823 -4.192 6.654 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.861 -5.222 6.224 1.00 0.00 C ATOM 1095 CD LYS A 70 -20.284 -4.758 6.539 1.00 0.00 C ATOM 1096 CE LYS A 70 -20.442 -4.366 8.008 1.00 0.00 C ATOM 1097 NZ LYS A 70 -21.823 -3.913 8.311 1.00 0.00 N ATOM 0 H LYS A 70 -16.674 -3.333 4.481 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.064 -2.565 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.831 -4.568 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.861 -4.085 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.767 -5.408 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.666 -6.168 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.537 -3.907 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.988 -5.555 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.192 -5.218 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.737 -3.571 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.870 -3.576 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.084 -3.139 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.484 -4.706 8.185 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.525 -0.883 6.221 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.796 0.133 6.944 1.00 0.00 C ATOM 1113 C ILE A 71 -16.701 1.330 7.155 1.00 0.00 C ATOM 1114 O ILE A 71 -17.742 1.458 6.506 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.501 0.575 6.183 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.442 1.093 7.153 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -14.815 1.652 5.160 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -12.080 1.274 6.515 1.00 0.00 C ATOM 0 H ILE A 71 -16.393 -0.865 5.210 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.485 -0.284 7.902 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.111 -0.304 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.772 2.047 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.354 0.399 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.899 1.942 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.533 1.267 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -15.238 2.521 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.376 1.644 7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.729 0.317 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.154 1.991 5.697 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.330 2.193 8.054 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.109 3.378 8.311 1.00 0.00 C ATOM 1132 C HIS A 72 -16.442 4.568 7.639 1.00 0.00 C ATOM 1133 O HIS A 72 -15.214 4.627 7.576 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.281 3.604 9.814 1.00 0.00 C ATOM 1135 CG HIS A 72 -17.983 2.471 10.496 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.451 1.790 11.562 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.175 1.889 10.238 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.285 0.834 11.928 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.339 0.872 11.139 1.00 0.00 N ATOM 0 H HIS A 72 -15.490 2.102 8.626 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.108 3.253 7.893 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.301 3.745 10.270 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.843 4.524 9.976 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.871 2.174 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.129 0.138 12.739 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.144 0.247 11.191 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.239 5.521 7.123 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.739 6.691 6.390 1.00 0.00 C ATOM 1149 C PRO A 73 -15.502 7.353 7.022 1.00 0.00 C ATOM 1150 O PRO A 73 -14.444 7.419 6.393 1.00 0.00 O ATOM 1151 CB PRO A 73 -17.934 7.665 6.382 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.014 6.999 7.183 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.698 5.534 7.199 1.00 0.00 C ATOM 0 HA PRO A 73 -16.397 6.400 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.659 8.624 6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.269 7.864 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.046 7.399 8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.993 7.179 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.061 5.051 8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.152 5.012 6.357 1.00 0.00 H new ATOM 1161 N SER A 74 -15.620 7.809 8.268 1.00 0.00 N ATOM 1162 CA SER A 74 -14.533 8.515 8.945 1.00 0.00 C ATOM 1163 C SER A 74 -13.384 7.586 9.355 1.00 0.00 C ATOM 1164 O SER A 74 -12.366 8.052 9.853 1.00 0.00 O ATOM 1165 CB SER A 74 -15.071 9.265 10.170 1.00 0.00 C ATOM 1166 OG SER A 74 -14.102 10.162 10.696 1.00 0.00 O ATOM 0 H SER A 74 -16.463 7.701 8.832 1.00 0.00 H new ATOM 0 HA SER A 74 -14.123 9.227 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.969 9.818 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.361 8.549 10.939 1.00 0.00 H new ATOM 0 HG SER A 74 -13.208 9.772 10.598 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.543 6.287 9.158 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.508 5.333 9.558 1.00 0.00 C ATOM 1174 C TYR A 75 -11.502 5.157 8.437 1.00 0.00 C ATOM 1175 O TYR A 75 -10.383 4.694 8.658 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.120 3.979 9.939 1.00 0.00 C ATOM 1177 CG TYR A 75 -13.798 3.962 11.295 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -14.771 4.895 11.621 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.467 3.003 12.245 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -15.397 4.875 12.851 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -14.087 2.977 13.479 1.00 0.00 C ATOM 1182 CZ TYR A 75 -15.051 3.915 13.777 1.00 0.00 C ATOM 1183 OH TYR A 75 -15.674 3.892 15.003 1.00 0.00 O ATOM 0 H TYR A 75 -14.368 5.867 8.729 1.00 0.00 H new ATOM 0 HA TYR A 75 -11.999 5.731 10.436 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.847 3.695 9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.335 3.223 9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.044 5.651 10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.712 2.266 12.014 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.154 5.608 13.086 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -13.818 2.225 14.206 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.316 3.153 15.538 1.00 0.00 H new ATOM 1193 N CYS A 76 -11.911 5.539 7.235 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.061 5.452 6.060 1.00 0.00 C ATOM 1195 C CYS A 76 -9.867 6.393 6.193 1.00 0.00 C ATOM 1196 O CYS A 76 -8.729 6.002 5.950 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.871 5.784 4.799 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.924 5.741 3.260 1.00 0.00 S ATOM 0 H CYS A 76 -12.840 5.917 7.049 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.684 4.433 5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.699 5.080 4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.306 6.777 4.914 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.704 6.034 2.262 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.156 7.635 6.553 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.120 8.650 6.770 1.00 0.00 C ATOM 1206 C GLY A 77 -7.932 8.135 7.567 1.00 0.00 C ATOM 1207 O GLY A 77 -6.827 8.042 7.028 1.00 0.00 O ATOM 0 H GLY A 77 -11.107 7.972 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.770 9.015 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.558 9.501 7.292 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.128 7.804 8.862 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.071 7.239 9.702 1.00 0.00 C ATOM 1213 C PRO A 78 -6.406 6.040 9.037 1.00 0.00 C ATOM 1214 O PRO A 78 -5.186 5.948 8.997 1.00 0.00 O ATOM 1215 CB PRO A 78 -7.821 6.789 10.957 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.002 7.686 11.028 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.386 7.984 9.608 1.00 0.00 C ATOM 0 HA PRO A 78 -6.272 7.954 9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.121 5.743 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.198 6.883 11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.823 7.207 11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.763 8.603 11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.163 7.307 9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.773 8.997 9.502 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.237 5.107 8.562 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.759 3.922 7.854 1.00 0.00 C ATOM 1227 C ALA A 79 -5.704 4.272 6.822 1.00 0.00 C ATOM 1228 O ALA A 79 -4.655 3.635 6.765 1.00 0.00 O ATOM 1229 CB ALA A 79 -7.916 3.171 7.208 1.00 0.00 C ATOM 0 H ALA A 79 -8.251 5.153 8.658 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.293 3.269 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.534 2.293 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.622 2.858 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.421 3.824 6.496 1.00 0.00 H new ATOM 1235 N ILE A 80 -5.960 5.292 6.025 1.00 0.00 N ATOM 1236 CA ILE A 80 -4.998 5.707 5.020 1.00 0.00 C ATOM 1237 C ILE A 80 -3.833 6.459 5.647 1.00 0.00 C ATOM 1238 O ILE A 80 -2.666 6.175 5.361 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.660 6.567 3.901 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.295 5.674 2.837 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -4.658 7.525 3.254 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.423 4.815 3.341 1.00 0.00 C ATOM 0 H ILE A 80 -6.817 5.844 6.052 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.613 4.798 4.558 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.439 7.166 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.666 6.302 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.525 5.030 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.158 8.106 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.257 8.199 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.843 6.954 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.816 4.213 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.056 4.158 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.215 5.450 3.737 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.166 7.397 6.503 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.182 8.234 7.183 1.00 0.00 C ATOM 1256 C LEU A 81 -2.119 7.391 7.873 1.00 0.00 C ATOM 1257 O LEU A 81 -0.919 7.591 7.668 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.877 9.131 8.207 1.00 0.00 C ATOM 1259 CG LEU A 81 -2.960 10.028 9.034 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -2.258 11.045 8.150 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -3.746 10.720 10.132 1.00 0.00 C ATOM 0 H LEU A 81 -5.132 7.609 6.755 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.690 8.852 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.594 9.762 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.447 8.499 8.888 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.197 9.403 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.610 11.673 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.659 10.525 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.001 11.668 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.078 11.356 10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.532 11.330 9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.194 9.972 10.786 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.567 6.437 8.666 1.00 0.00 N ATOM 1274 CA ARG A 82 -1.671 5.575 9.403 1.00 0.00 C ATOM 1275 C ARG A 82 -0.909 4.665 8.464 1.00 0.00 C ATOM 1276 O ARG A 82 0.284 4.480 8.623 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.436 4.745 10.437 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.120 5.573 11.516 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.843 4.687 12.518 1.00 0.00 C ATOM 1280 NE ARG A 82 -2.924 3.783 13.214 1.00 0.00 N ATOM 1281 CZ ARG A 82 -3.299 2.699 13.900 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -4.585 2.379 14.001 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -2.386 1.941 14.489 1.00 0.00 N ATOM 0 H ARG A 82 -3.557 6.240 8.815 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.957 6.209 9.930 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.188 4.146 9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.745 4.049 10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.379 6.182 12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.831 6.259 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.359 5.311 13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.605 4.103 12.002 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.927 3.996 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.292 2.962 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.865 1.550 14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.398 2.185 14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.671 1.113 15.013 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.599 4.118 7.466 1.00 0.00 N ATOM 1298 CA PHE A 83 -0.963 3.203 6.531 1.00 0.00 C ATOM 1299 C PHE A 83 0.192 3.868 5.803 1.00 0.00 C ATOM 1300 O PHE A 83 1.313 3.358 5.799 1.00 0.00 O ATOM 1301 CB PHE A 83 -1.959 2.648 5.507 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.332 1.606 4.644 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -1.025 0.371 5.167 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -1.016 1.871 3.324 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.412 -0.582 4.398 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.408 0.911 2.546 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.104 -0.315 3.090 1.00 0.00 C ATOM 0 H PHE A 83 -2.588 4.292 7.288 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.579 2.374 7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.818 2.223 6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.333 3.461 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.270 0.151 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.248 2.837 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.171 -1.545 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.171 1.120 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.378 -1.069 2.485 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.082 5.015 5.211 1.00 0.00 N ATOM 1318 CA ARG A 84 0.912 5.738 4.441 1.00 0.00 C ATOM 1319 C ARG A 84 2.076 6.163 5.319 1.00 0.00 C ATOM 1320 O ARG A 84 3.240 6.007 4.941 1.00 0.00 O ATOM 1321 CB ARG A 84 0.281 6.959 3.756 1.00 0.00 C ATOM 1322 CG ARG A 84 1.277 7.818 2.996 1.00 0.00 C ATOM 1323 CD ARG A 84 0.616 9.044 2.386 1.00 0.00 C ATOM 1324 NE ARG A 84 -0.263 8.713 1.259 1.00 0.00 N ATOM 1325 CZ ARG A 84 -0.476 9.521 0.216 1.00 0.00 C ATOM 1326 NH1 ARG A 84 0.120 10.708 0.156 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -1.282 9.143 -0.762 1.00 0.00 N ATOM 0 H ARG A 84 -0.994 5.470 5.250 1.00 0.00 H new ATOM 0 HA ARG A 84 1.295 5.068 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.491 6.618 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.213 7.572 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.074 8.132 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.741 7.225 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.038 9.559 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.387 9.737 2.049 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.740 7.812 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.742 11.005 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.045 11.322 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.742 8.234 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.444 9.761 -1.557 1.00 0.00 H new ATOM 1341 N GLN A 85 1.763 6.673 6.496 1.00 0.00 N ATOM 1342 CA GLN A 85 2.786 7.121 7.417 1.00 0.00 C ATOM 1343 C GLN A 85 3.622 5.943 7.911 1.00 0.00 C ATOM 1344 O GLN A 85 4.829 6.060 8.069 1.00 0.00 O ATOM 1345 CB GLN A 85 2.155 7.861 8.600 1.00 0.00 C ATOM 1346 CG GLN A 85 3.161 8.565 9.501 1.00 0.00 C ATOM 1347 CD GLN A 85 3.956 9.631 8.769 1.00 0.00 C ATOM 1348 OE1 GLN A 85 5.030 9.367 8.227 1.00 0.00 O ATOM 1349 NE2 GLN A 85 3.433 10.838 8.744 1.00 0.00 N ATOM 0 H GLN A 85 0.808 6.786 6.835 1.00 0.00 H new ATOM 0 HA GLN A 85 3.444 7.810 6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.447 8.597 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.584 7.150 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.635 9.021 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.847 7.828 9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.541 11.017 9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.920 11.595 8.264 1.00 0.00 H new ATOM 1358 N LEU A 86 2.984 4.792 8.099 1.00 0.00 N ATOM 1359 CA LEU A 86 3.697 3.627 8.617 1.00 0.00 C ATOM 1360 C LEU A 86 4.547 3.005 7.542 1.00 0.00 C ATOM 1361 O LEU A 86 5.647 2.531 7.803 1.00 0.00 O ATOM 1362 CB LEU A 86 2.737 2.592 9.202 1.00 0.00 C ATOM 1363 CG LEU A 86 2.074 2.976 10.524 1.00 0.00 C ATOM 1364 CD1 LEU A 86 1.083 1.907 10.954 1.00 0.00 C ATOM 1365 CD2 LEU A 86 3.122 3.200 11.606 1.00 0.00 C ATOM 0 H LEU A 86 1.994 4.640 7.905 1.00 0.00 H new ATOM 0 HA LEU A 86 4.345 3.971 9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.955 2.393 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.282 1.659 9.347 1.00 0.00 H new ATOM 0 HG LEU A 86 1.531 3.909 10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.621 2.198 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.312 1.797 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.604 0.958 11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.629 3.473 12.539 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.695 2.285 11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.793 4.004 11.302 1.00 0.00 H new ATOM 1377 N LEU A 87 4.038 3.016 6.333 1.00 0.00 N ATOM 1378 CA LEU A 87 4.756 2.489 5.192 1.00 0.00 C ATOM 1379 C LEU A 87 6.048 3.250 5.003 1.00 0.00 C ATOM 1380 O LEU A 87 7.091 2.683 4.702 1.00 0.00 O ATOM 1381 CB LEU A 87 3.873 2.583 3.940 1.00 0.00 C ATOM 1382 CG LEU A 87 4.513 2.159 2.624 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.475 1.525 1.724 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.148 3.354 1.916 1.00 0.00 C ATOM 0 H LEU A 87 3.115 3.390 6.110 1.00 0.00 H new ATOM 0 HA LEU A 87 5.000 1.441 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.986 1.970 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.534 3.614 3.838 1.00 0.00 H new ATOM 0 HG LEU A 87 5.295 1.432 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.941 1.225 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.053 0.649 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.681 2.244 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.598 3.025 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.383 4.102 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.917 3.789 2.555 1.00 0.00 H new ATOM 1396 N ALA A 88 5.958 4.524 5.207 1.00 0.00 N ATOM 1397 CA ALA A 88 7.083 5.415 5.074 1.00 0.00 C ATOM 1398 C ALA A 88 8.057 5.252 6.224 1.00 0.00 C ATOM 1399 O ALA A 88 9.263 5.392 6.049 1.00 0.00 O ATOM 1400 CB ALA A 88 6.607 6.853 4.971 1.00 0.00 C ATOM 0 H ALA A 88 5.091 4.990 5.475 1.00 0.00 H new ATOM 0 HA ALA A 88 7.612 5.156 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.467 7.515 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.963 6.961 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.049 7.117 5.869 1.00 0.00 H new ATOM 1406 N GLU A 89 7.537 4.929 7.391 1.00 0.00 N ATOM 1407 CA GLU A 89 8.380 4.756 8.571 1.00 0.00 C ATOM 1408 C GLU A 89 9.071 3.419 8.544 1.00 0.00 C ATOM 1409 O GLU A 89 10.205 3.275 9.004 1.00 0.00 O ATOM 1410 CB GLU A 89 7.593 4.922 9.869 1.00 0.00 C ATOM 1411 CG GLU A 89 7.085 6.332 10.102 1.00 0.00 C ATOM 1412 CD GLU A 89 6.633 6.553 11.524 1.00 0.00 C ATOM 1413 OE1 GLU A 89 7.430 7.097 12.320 1.00 0.00 O ATOM 1414 OE2 GLU A 89 5.491 6.189 11.859 1.00 0.00 O ATOM 0 H GLU A 89 6.541 4.780 7.554 1.00 0.00 H new ATOM 0 HA GLU A 89 9.134 5.543 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.745 4.238 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.227 4.631 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.874 7.044 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.255 6.533 9.425 1.00 0.00 H new ATOM 1421 N GLN A 90 8.389 2.448 8.002 1.00 0.00 N ATOM 1422 CA GLN A 90 8.937 1.114 7.873 1.00 0.00 C ATOM 1423 C GLN A 90 9.759 0.989 6.599 1.00 0.00 C ATOM 1424 O GLN A 90 10.416 -0.030 6.378 1.00 0.00 O ATOM 1425 CB GLN A 90 7.821 0.078 7.912 1.00 0.00 C ATOM 1426 CG GLN A 90 7.321 -0.224 9.322 1.00 0.00 C ATOM 1427 CD GLN A 90 5.876 -0.675 9.355 1.00 0.00 C ATOM 1428 OE1 GLN A 90 5.488 -1.513 10.168 1.00 0.00 O ATOM 1429 NE2 GLN A 90 5.059 -0.080 8.516 1.00 0.00 N ATOM 0 H GLN A 90 7.442 2.552 7.637 1.00 0.00 H new ATOM 0 HA GLN A 90 9.603 0.929 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.986 0.432 7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.177 -0.846 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.947 -0.998 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.431 0.668 9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.419 0.610 7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.065 -0.308 8.524 1.00 0.00 H new ATOM 1438 N GLU A 91 9.718 2.047 5.773 1.00 0.00 N ATOM 1439 CA GLU A 91 10.472 2.118 4.512 1.00 0.00 C ATOM 1440 C GLU A 91 9.869 1.208 3.435 1.00 0.00 C ATOM 1441 O GLU A 91 9.089 0.302 3.740 1.00 0.00 O ATOM 1442 CB GLU A 91 11.963 1.800 4.729 1.00 0.00 C ATOM 1443 CG GLU A 91 12.704 2.837 5.550 1.00 0.00 C ATOM 1444 CD GLU A 91 14.169 2.509 5.696 1.00 0.00 C ATOM 1445 OE1 GLU A 91 15.002 3.178 5.051 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.498 1.566 6.447 1.00 0.00 O ATOM 0 H GLU A 91 9.159 2.879 5.962 1.00 0.00 H new ATOM 0 HA GLU A 91 10.396 3.145 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.049 0.832 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.449 1.706 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.598 3.814 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.249 2.908 6.538 1.00 0.00 H new ATOM 1453 N PRO A 92 10.204 1.461 2.150 1.00 0.00 N ATOM 1454 CA PRO A 92 9.693 0.669 1.029 1.00 0.00 C ATOM 1455 C PRO A 92 9.991 -0.825 1.164 1.00 0.00 C ATOM 1456 O PRO A 92 11.150 -1.240 1.223 1.00 0.00 O ATOM 1457 CB PRO A 92 10.427 1.249 -0.187 1.00 0.00 C ATOM 1458 CG PRO A 92 10.796 2.628 0.223 1.00 0.00 C ATOM 1459 CD PRO A 92 11.087 2.553 1.689 1.00 0.00 C ATOM 0 HA PRO A 92 8.607 0.731 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.309 0.660 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.788 1.255 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.666 2.981 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.984 3.327 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.137 2.331 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.863 3.493 2.193 1.00 0.00 H new ATOM 1467 N GLU A 93 8.923 -1.610 1.188 1.00 0.00 N ATOM 1468 CA GLU A 93 8.976 -3.047 1.278 1.00 0.00 C ATOM 1469 C GLU A 93 7.630 -3.593 0.878 1.00 0.00 C ATOM 1470 O GLU A 93 6.714 -3.635 1.675 1.00 0.00 O ATOM 1471 CB GLU A 93 9.345 -3.528 2.688 1.00 0.00 C ATOM 1472 CG GLU A 93 10.839 -3.697 2.922 1.00 0.00 C ATOM 1473 CD GLU A 93 11.163 -4.165 4.321 1.00 0.00 C ATOM 1474 OE1 GLU A 93 10.999 -5.367 4.608 1.00 0.00 O ATOM 1475 OE2 GLU A 93 11.595 -3.335 5.144 1.00 0.00 O ATOM 0 H GLU A 93 7.971 -1.245 1.144 1.00 0.00 H new ATOM 0 HA GLU A 93 9.756 -3.411 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.953 -2.817 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.850 -4.481 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.236 -4.414 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.341 -2.748 2.736 1.00 0.00 H new ATOM 1482 N VAL A 94 7.521 -3.967 -0.379 1.00 0.00 N ATOM 1483 CA VAL A 94 6.284 -4.485 -0.961 1.00 0.00 C ATOM 1484 C VAL A 94 5.697 -5.613 -0.113 1.00 0.00 C ATOM 1485 O VAL A 94 4.483 -5.743 0.019 1.00 0.00 O ATOM 1486 CB VAL A 94 6.515 -4.967 -2.417 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.329 -6.257 -2.477 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.202 -5.102 -3.162 1.00 0.00 C ATOM 0 H VAL A 94 8.295 -3.922 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 94 5.564 -3.667 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 94 7.107 -4.201 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.464 -6.554 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.304 -6.094 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.801 -7.045 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.394 -5.441 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.567 -5.826 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.699 -4.135 -3.191 1.00 0.00 H new ATOM 1498 N GLN A 95 6.579 -6.392 0.471 1.00 0.00 N ATOM 1499 CA GLN A 95 6.203 -7.495 1.338 1.00 0.00 C ATOM 1500 C GLN A 95 5.516 -6.961 2.600 1.00 0.00 C ATOM 1501 O GLN A 95 4.568 -7.565 3.120 1.00 0.00 O ATOM 1502 CB GLN A 95 7.457 -8.307 1.719 1.00 0.00 C ATOM 1503 CG GLN A 95 8.343 -7.622 2.756 1.00 0.00 C ATOM 1504 CD GLN A 95 9.758 -8.139 2.778 1.00 0.00 C ATOM 1505 OE1 GLN A 95 10.069 -9.120 3.453 1.00 0.00 O ATOM 1506 NE2 GLN A 95 10.639 -7.452 2.076 1.00 0.00 N ATOM 0 H GLN A 95 7.587 -6.280 0.359 1.00 0.00 H new ATOM 0 HA GLN A 95 5.506 -8.144 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.146 -9.278 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.044 -8.494 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.360 -6.551 2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.901 -7.755 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.338 -6.645 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.621 -7.728 2.079 1.00 0.00 H new ATOM 1515 N GLU A 96 5.977 -5.808 3.064 1.00 0.00 N ATOM 1516 CA GLU A 96 5.457 -5.227 4.264 1.00 0.00 C ATOM 1517 C GLU A 96 4.247 -4.407 3.939 1.00 0.00 C ATOM 1518 O GLU A 96 3.351 -4.286 4.744 1.00 0.00 O ATOM 1519 CB GLU A 96 6.510 -4.370 4.966 1.00 0.00 C ATOM 1520 CG GLU A 96 7.783 -5.121 5.323 1.00 0.00 C ATOM 1521 CD GLU A 96 7.561 -6.239 6.315 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.906 -6.058 7.500 1.00 0.00 O ATOM 1523 OE2 GLU A 96 7.061 -7.312 5.913 1.00 0.00 O ATOM 0 H GLU A 96 6.714 -5.265 2.615 1.00 0.00 H new ATOM 0 HA GLU A 96 5.178 -6.030 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.766 -3.528 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.078 -3.956 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.220 -5.533 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.507 -4.418 5.735 1.00 0.00 H new ATOM 1530 N VAL A 97 4.230 -3.855 2.732 1.00 0.00 N ATOM 1531 CA VAL A 97 3.107 -3.061 2.272 1.00 0.00 C ATOM 1532 C VAL A 97 1.837 -3.882 2.354 1.00 0.00 C ATOM 1533 O VAL A 97 0.874 -3.492 2.999 1.00 0.00 O ATOM 1534 CB VAL A 97 3.304 -2.572 0.808 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.076 -1.814 0.314 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.540 -1.699 0.695 1.00 0.00 C ATOM 0 H VAL A 97 4.987 -3.946 2.054 1.00 0.00 H new ATOM 0 HA VAL A 97 3.036 -2.184 2.916 1.00 0.00 H new ATOM 0 HB VAL A 97 3.440 -3.451 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.241 -1.484 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.206 -2.469 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.903 -0.947 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.659 -1.368 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.432 -0.830 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.418 -2.271 0.996 1.00 0.00 H new ATOM 1546 N SER A 98 1.860 -5.031 1.715 1.00 0.00 N ATOM 1547 CA SER A 98 0.721 -5.913 1.689 1.00 0.00 C ATOM 1548 C SER A 98 0.363 -6.426 3.079 1.00 0.00 C ATOM 1549 O SER A 98 -0.806 -6.440 3.467 1.00 0.00 O ATOM 1550 CB SER A 98 0.981 -7.072 0.737 1.00 0.00 C ATOM 1551 OG SER A 98 2.245 -7.665 0.995 1.00 0.00 O ATOM 0 H SER A 98 2.670 -5.377 1.200 1.00 0.00 H new ATOM 0 HA SER A 98 -0.135 -5.341 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.195 -7.820 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.945 -6.717 -0.293 1.00 0.00 H new ATOM 0 HG SER A 98 2.391 -8.408 0.373 1.00 0.00 H new ATOM 1557 N GLN A 99 1.372 -6.829 3.816 1.00 0.00 N ATOM 1558 CA GLN A 99 1.175 -7.353 5.164 1.00 0.00 C ATOM 1559 C GLN A 99 0.587 -6.291 6.074 1.00 0.00 C ATOM 1560 O GLN A 99 -0.322 -6.560 6.847 1.00 0.00 O ATOM 1561 CB GLN A 99 2.484 -7.867 5.752 1.00 0.00 C ATOM 1562 CG GLN A 99 2.339 -8.385 7.176 1.00 0.00 C ATOM 1563 CD GLN A 99 3.655 -8.772 7.810 1.00 0.00 C ATOM 1564 OE1 GLN A 99 3.708 -9.657 8.660 1.00 0.00 O ATOM 1565 NE2 GLN A 99 4.721 -8.114 7.407 1.00 0.00 N ATOM 0 H GLN A 99 2.345 -6.807 3.510 1.00 0.00 H new ATOM 0 HA GLN A 99 0.476 -8.186 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.870 -8.666 5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.221 -7.064 5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.861 -7.619 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.676 -9.250 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.633 -7.386 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.635 -8.332 7.803 1.00 0.00 H new ATOM 1574 N LEU A 100 1.086 -5.086 5.940 1.00 0.00 N ATOM 1575 CA LEU A 100 0.654 -3.975 6.751 1.00 0.00 C ATOM 1576 C LEU A 100 -0.723 -3.580 6.335 1.00 0.00 C ATOM 1577 O LEU A 100 -1.539 -3.175 7.156 1.00 0.00 O ATOM 1578 CB LEU A 100 1.615 -2.791 6.591 1.00 0.00 C ATOM 1579 CG LEU A 100 1.228 -1.500 7.311 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.245 -1.693 8.813 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.151 -0.365 6.900 1.00 0.00 C ATOM 0 H LEU A 100 1.808 -4.848 5.260 1.00 0.00 H new ATOM 0 HA LEU A 100 0.650 -4.271 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.598 -3.099 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.714 -2.573 5.528 1.00 0.00 H new ATOM 0 HG LEU A 100 0.211 -1.237 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.966 -0.760 9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.535 -2.473 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.246 -1.985 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.861 0.547 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.179 -0.620 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.076 -0.206 5.824 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.987 -3.737 5.056 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.274 -3.393 4.508 1.00 0.00 C ATOM 1595 C PHE A 101 -3.331 -4.342 5.027 1.00 0.00 C ATOM 1596 O PHE A 101 -4.435 -3.939 5.378 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.242 -3.426 2.992 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.481 -2.878 2.364 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.707 -1.516 2.337 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.416 -3.722 1.800 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.849 -1.001 1.756 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.559 -3.216 1.218 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.776 -1.856 1.194 1.00 0.00 C ATOM 0 H PHE A 101 -0.321 -4.103 4.376 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.520 -2.379 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.382 -2.856 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.099 -4.455 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.982 -0.846 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.251 -4.789 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.016 0.066 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.284 -3.886 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.670 -1.459 0.736 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.968 -5.600 5.098 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.848 -6.623 5.588 1.00 0.00 C ATOM 1615 C ARG A 102 -4.028 -6.419 7.081 1.00 0.00 C ATOM 1616 O ARG A 102 -5.134 -6.489 7.612 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.216 -7.992 5.329 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.141 -9.169 5.562 1.00 0.00 C ATOM 1619 CD ARG A 102 -4.889 -9.553 4.295 1.00 0.00 C ATOM 1620 NE ARG A 102 -3.976 -9.967 3.206 1.00 0.00 N ATOM 1621 CZ ARG A 102 -3.228 -11.091 3.210 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -3.245 -11.912 4.257 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -2.465 -11.386 2.163 1.00 0.00 N ATOM 0 H ARG A 102 -2.049 -5.940 4.815 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.813 -6.572 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.861 -8.024 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.342 -8.101 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.563 -10.022 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.856 -8.921 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.579 -10.367 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.490 -8.707 3.960 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.907 -9.357 2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.827 -11.695 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.676 -12.759 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.444 -10.763 1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.900 -12.235 2.167 1.00 0.00 H new ATOM 1637 N SER A 103 -2.917 -6.129 7.735 1.00 0.00 N ATOM 1638 CA SER A 103 -2.893 -5.940 9.171 1.00 0.00 C ATOM 1639 C SER A 103 -3.790 -4.793 9.616 1.00 0.00 C ATOM 1640 O SER A 103 -4.731 -5.004 10.371 1.00 0.00 O ATOM 1641 CB SER A 103 -1.463 -5.733 9.673 1.00 0.00 C ATOM 1642 OG SER A 103 -0.668 -6.883 9.423 1.00 0.00 O ATOM 0 H SER A 103 -2.009 -6.018 7.285 1.00 0.00 H new ATOM 0 HA SER A 103 -3.289 -6.852 9.617 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.022 -4.867 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.476 -5.520 10.742 1.00 0.00 H new ATOM 0 HG SER A 103 -0.427 -6.914 8.474 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.508 -3.586 9.139 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.286 -2.411 9.523 1.00 0.00 C ATOM 1650 C VAL A 104 -5.769 -2.580 9.226 1.00 0.00 C ATOM 1651 O VAL A 104 -6.614 -2.210 10.042 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.738 -1.092 8.884 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -3.840 -1.112 7.368 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -4.451 0.128 9.457 1.00 0.00 C ATOM 0 H VAL A 104 -2.748 -3.394 8.487 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.172 -2.321 10.603 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.680 -1.025 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.449 -0.178 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.261 -1.948 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.884 -1.225 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.052 1.032 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.519 0.056 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.293 0.169 10.535 1.00 0.00 H new ATOM 1664 N LEU A 105 -6.084 -3.150 8.079 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.469 -3.391 7.710 1.00 0.00 C ATOM 1666 C LEU A 105 -8.148 -4.360 8.662 1.00 0.00 C ATOM 1667 O LEU A 105 -9.322 -4.202 8.973 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.579 -3.884 6.273 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.836 -2.801 5.210 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.187 -2.143 5.432 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.732 -1.755 5.213 1.00 0.00 C ATOM 0 H LEU A 105 -5.401 -3.455 7.386 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.989 -2.436 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.657 -4.406 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.385 -4.616 6.221 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.840 -3.287 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.350 -1.380 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.973 -2.895 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.209 -1.681 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.941 -1.003 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.686 -1.277 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.777 -2.234 4.998 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.417 -5.359 9.135 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.990 -6.301 10.087 1.00 0.00 C ATOM 1685 C GLN A 106 -8.023 -5.708 11.486 1.00 0.00 C ATOM 1686 O GLN A 106 -8.859 -6.079 12.316 1.00 0.00 O ATOM 1687 CB GLN A 106 -7.265 -7.650 10.070 1.00 0.00 C ATOM 1688 CG GLN A 106 -7.915 -8.678 9.145 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.806 -8.320 7.674 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -6.887 -8.750 6.986 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.738 -7.526 7.183 1.00 0.00 N ATOM 0 H GLN A 106 -6.445 -5.537 8.882 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.017 -6.491 9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.232 -7.495 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.236 -8.051 11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.450 -9.650 9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.968 -8.779 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.488 -7.187 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.708 -7.251 6.201 1.00 0.00 H new ATOM 1700 N GLU A 107 -7.129 -4.781 11.732 1.00 0.00 N ATOM 1701 CA GLU A 107 -7.089 -4.084 13.015 1.00 0.00 C ATOM 1702 C GLU A 107 -8.300 -3.181 13.155 1.00 0.00 C ATOM 1703 O GLU A 107 -9.047 -3.245 14.147 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.802 -3.271 13.153 1.00 0.00 C ATOM 1705 CG GLU A 107 -4.595 -4.105 13.529 1.00 0.00 C ATOM 1706 CD GLU A 107 -4.698 -4.655 14.935 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -5.282 -5.737 15.116 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -4.203 -3.994 15.873 1.00 0.00 O ATOM 0 H GLU A 107 -6.415 -4.485 11.067 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.108 -4.828 13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.602 -2.761 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.949 -2.499 13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.491 -4.930 12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.694 -3.497 13.443 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.517 -2.358 12.145 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.637 -1.462 12.143 1.00 0.00 C ATOM 1717 C VAL A 108 -10.945 -2.250 11.998 1.00 0.00 C ATOM 1718 O VAL A 108 -11.994 -1.805 12.448 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.505 -0.385 11.028 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -9.556 -1.002 9.640 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -10.561 0.688 11.184 1.00 0.00 C ATOM 0 H VAL A 108 -7.924 -2.299 11.317 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.652 -0.936 13.098 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.526 0.082 11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.461 -0.217 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.738 -1.713 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.506 -1.519 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.447 1.429 10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.551 0.236 11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.447 1.173 12.154 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.855 -3.442 11.392 1.00 0.00 N ATOM 1732 CA LEU A 109 -12.015 -4.315 11.212 1.00 0.00 C ATOM 1733 C LEU A 109 -12.604 -4.673 12.568 1.00 0.00 C ATOM 1734 O LEU A 109 -13.795 -4.507 12.797 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.613 -5.592 10.450 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.735 -6.340 9.698 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -12.147 -7.460 8.861 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -13.778 -6.901 10.656 1.00 0.00 C ATOM 0 H LEU A 109 -9.985 -3.822 11.018 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.767 -3.787 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.840 -5.327 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.162 -6.284 11.162 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.231 -5.621 9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.948 -7.980 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.448 -7.044 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.623 -8.162 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -14.551 -7.420 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.302 -7.599 11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -14.229 -6.085 11.221 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.761 -5.146 13.470 1.00 0.00 N ATOM 1751 CA GLU A 110 -12.212 -5.523 14.800 1.00 0.00 C ATOM 1752 C GLU A 110 -12.829 -4.316 15.514 1.00 0.00 C ATOM 1753 O GLU A 110 -13.879 -4.425 16.153 1.00 0.00 O ATOM 1754 CB GLU A 110 -11.046 -6.093 15.614 1.00 0.00 C ATOM 1755 CG GLU A 110 -11.456 -6.700 16.948 1.00 0.00 C ATOM 1756 CD GLU A 110 -12.470 -7.816 16.793 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -12.118 -8.875 16.231 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -13.622 -7.647 17.245 1.00 0.00 O ATOM 0 H GLU A 110 -10.763 -5.278 13.307 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.976 -6.295 14.705 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.541 -6.855 15.020 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.322 -5.299 15.796 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.571 -7.086 17.455 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.874 -5.920 17.585 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.190 -3.160 15.362 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.661 -1.924 15.989 1.00 0.00 C ATOM 1767 C ARG A 111 -14.003 -1.455 15.395 1.00 0.00 C ATOM 1768 O ARG A 111 -14.885 -0.975 16.122 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.604 -0.825 15.845 1.00 0.00 C ATOM 1770 CG ARG A 111 -10.321 -1.104 16.615 1.00 0.00 C ATOM 1771 CD ARG A 111 -9.253 -0.059 16.326 1.00 0.00 C ATOM 1772 NE ARG A 111 -9.712 1.302 16.618 1.00 0.00 N ATOM 1773 CZ ARG A 111 -8.937 2.389 16.572 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -7.641 2.280 16.288 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -9.461 3.584 16.822 1.00 0.00 N ATOM 0 H ARG A 111 -11.341 -3.051 14.808 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.825 -2.131 17.047 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.364 -0.701 14.789 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.026 0.119 16.189 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.534 -1.121 17.684 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.945 -2.092 16.350 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.365 -0.276 16.920 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.959 -0.124 15.278 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.691 1.428 16.874 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.235 1.363 16.104 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.054 3.114 16.254 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.452 3.669 17.048 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -8.872 4.416 16.788 1.00 0.00 H new ATOM 1789 N MET A 112 -14.164 -1.625 14.090 1.00 0.00 N ATOM 1790 CA MET A 112 -15.381 -1.179 13.407 1.00 0.00 C ATOM 1791 C MET A 112 -16.516 -2.154 13.670 1.00 0.00 C ATOM 1792 O MET A 112 -17.677 -1.763 13.785 1.00 0.00 O ATOM 1793 CB MET A 112 -15.150 -1.026 11.884 1.00 0.00 C ATOM 1794 CG MET A 112 -15.075 -2.348 11.128 1.00 0.00 C ATOM 1795 SD MET A 112 -14.728 -2.160 9.371 1.00 0.00 S ATOM 1796 CE MET A 112 -13.111 -1.415 9.412 1.00 0.00 C ATOM 0 H MET A 112 -13.474 -2.066 13.482 1.00 0.00 H new ATOM 0 HA MET A 112 -15.650 -0.200 13.805 1.00 0.00 H new ATOM 0 HB2 MET A 112 -15.957 -0.425 11.464 1.00 0.00 H new ATOM 0 HB3 MET A 112 -14.224 -0.474 11.722 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.301 -2.970 11.577 1.00 0.00 H new ATOM 0 HG3 MET A 112 -16.019 -2.879 11.248 1.00 0.00 H new ATOM 0 HE1 MET A 112 -12.633 -1.529 8.439 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.205 -0.355 9.649 1.00 0.00 H new ATOM 0 HE3 MET A 112 -12.504 -1.904 10.174 1.00 0.00 H new ATOM 1806 N LYS A 113 -16.155 -3.415 13.783 1.00 0.00 N ATOM 1807 CA LYS A 113 -17.102 -4.489 14.017 1.00 0.00 C ATOM 1808 C LYS A 113 -17.792 -4.318 15.358 1.00 0.00 C ATOM 1809 O LYS A 113 -19.017 -4.280 15.432 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.376 -5.840 13.954 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.243 -7.045 14.278 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.471 -8.341 14.083 1.00 0.00 C ATOM 1813 CE LYS A 113 -17.287 -9.551 14.510 1.00 0.00 C ATOM 1814 NZ LYS A 113 -18.603 -9.603 13.831 1.00 0.00 N ATOM 0 H LYS A 113 -15.187 -3.728 13.715 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.867 -4.458 13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.961 -5.967 12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.536 -5.818 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.594 -6.978 15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.126 -7.044 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -16.190 -8.443 13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -15.546 -8.304 14.659 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -16.729 -10.461 14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -17.437 -9.524 15.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -18.915 -10.592 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -19.300 -9.063 14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -18.519 -9.191 12.880 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.998 -4.190 16.412 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.535 -4.048 17.758 1.00 0.00 C ATOM 1830 C GLN A 114 -18.394 -2.786 17.892 1.00 0.00 C ATOM 1831 O GLN A 114 -19.495 -2.838 18.424 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.401 -4.060 18.797 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.332 -3.002 18.566 1.00 0.00 C ATOM 1834 CD GLN A 114 -14.112 -3.200 19.438 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -13.774 -4.325 19.811 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -13.434 -2.115 19.758 1.00 0.00 N ATOM 0 H GLN A 114 -15.979 -4.182 16.361 1.00 0.00 H new ATOM 0 HA GLN A 114 -18.184 -4.902 17.950 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -16.830 -3.916 19.789 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.930 -5.043 18.793 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.031 -3.019 17.519 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.755 -2.016 18.760 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.748 -1.202 19.429 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.596 -2.189 20.335 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.889 -1.664 17.388 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.601 -0.390 17.470 1.00 0.00 C ATOM 1847 C GLU A 115 -19.964 -0.452 16.761 1.00 0.00 C ATOM 1848 O GLU A 115 -20.999 -0.087 17.336 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.745 0.721 16.856 1.00 0.00 C ATOM 1850 CG GLU A 115 -18.295 2.122 17.064 1.00 0.00 C ATOM 1851 CD GLU A 115 -18.318 2.525 18.522 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -17.235 2.811 19.081 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -19.413 2.573 19.113 1.00 0.00 O ATOM 0 H GLU A 115 -16.986 -1.610 16.917 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.784 -0.176 18.523 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.743 0.670 17.283 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.645 0.538 15.786 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.689 2.834 16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.306 2.176 16.660 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.966 -0.953 15.537 1.00 0.00 N ATOM 1861 CA GLU A 116 -21.176 -0.968 14.732 1.00 0.00 C ATOM 1862 C GLU A 116 -22.224 -1.904 15.314 1.00 0.00 C ATOM 1863 O GLU A 116 -23.342 -1.485 15.623 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.871 -1.368 13.296 1.00 0.00 C ATOM 1865 CG GLU A 116 -22.049 -1.180 12.364 1.00 0.00 C ATOM 1866 CD GLU A 116 -21.781 -1.682 10.973 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -20.890 -1.133 10.303 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -22.484 -2.615 10.534 1.00 0.00 O ATOM 0 H GLU A 116 -19.147 -1.353 15.080 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.578 0.045 14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.030 -0.778 12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.561 -2.413 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -22.915 -1.701 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -22.305 -0.121 12.320 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.866 -3.174 15.440 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.775 -4.185 15.970 1.00 0.00 C ATOM 1877 C GLU A 117 -23.321 -3.811 17.351 1.00 0.00 C ATOM 1878 O GLU A 117 -24.453 -4.168 17.690 1.00 0.00 O ATOM 1879 CB GLU A 117 -22.108 -5.556 15.996 1.00 0.00 C ATOM 1880 CG GLU A 117 -21.576 -5.981 14.638 1.00 0.00 C ATOM 1881 CD GLU A 117 -21.296 -7.460 14.551 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -20.250 -7.904 15.058 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -22.120 -8.191 13.961 1.00 0.00 O ATOM 0 H GLU A 117 -20.947 -3.532 15.181 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.630 -4.231 15.295 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.288 -5.542 16.714 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.826 -6.297 16.347 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -22.299 -5.708 13.869 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.660 -5.430 14.424 1.00 0.00 H new ATOM 1890 N ALA A 118 -22.533 -3.078 18.134 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.976 -2.627 19.449 1.00 0.00 C ATOM 1892 C ALA A 118 -24.103 -1.609 19.314 1.00 0.00 C ATOM 1893 O ALA A 118 -25.028 -1.570 20.139 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.818 -2.032 20.232 1.00 0.00 C ATOM 0 H ALA A 118 -21.589 -2.785 17.882 1.00 0.00 H new ATOM 0 HA ALA A 118 -23.352 -3.492 19.996 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -22.171 -1.702 21.209 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -21.041 -2.786 20.362 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -21.410 -1.181 19.687 1.00 0.00 H new ATOM 1900 N HIS A 119 -24.045 -0.805 18.253 1.00 0.00 N ATOM 1901 CA HIS A 119 -25.078 0.201 18.007 1.00 0.00 C ATOM 1902 C HIS A 119 -26.354 -0.483 17.569 1.00 0.00 C ATOM 1903 O HIS A 119 -27.437 -0.184 18.075 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.643 1.202 16.928 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.485 2.067 17.311 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -22.937 2.999 16.463 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.763 2.132 18.451 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -21.930 3.599 17.065 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -21.800 3.092 18.272 1.00 0.00 N ATOM 0 H HIS A 119 -23.301 -0.829 17.556 1.00 0.00 H new ATOM 0 HA HIS A 119 -25.242 0.750 18.934 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -24.385 0.651 16.023 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -25.491 1.841 16.681 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -22.916 1.538 19.340 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -21.314 4.377 16.639 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -21.099 3.367 18.960 1.00 0.00 H new