USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 549 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 42 THR OG1 : rot 180:sc= 1.09 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.662 K(o=1.8,f=2.4) USER MOD Set 2.1: A 8 MET CE :methyl 165:sc= -0.0611 (180deg=-0.116) USER MOD Set 2.2: A 12 GLN : amide:sc= -5.38! C(o=-5.4!,f=-9.4!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0875 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.222 K(o=0.22,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0.107 (180deg=-0.396) USER MOD Single : A 24 ASN : amide:sc= -2.56 K(o=-2.6,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ -103:sc= -0.0531 (180deg=-0.855) USER MOD Single : A 26 HIS : no HE2:sc= -0.419 K(o=-0.42,f=-1.6) USER MOD Single : A 30 THR OG1 : rot 92:sc= 0.0514 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -23:sc= 0.00815 USER MOD Single : A 46 THR OG1 : rot 76:sc= 0.592 USER MOD Single : A 47 GLN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 0.201 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.124 USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0151 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0723 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0135 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.527 7.071 -10.968 1.00 0.00 N ATOM 2 CA GLY A 1 -25.443 7.685 -11.782 1.00 0.00 C ATOM 3 C GLY A 1 -24.245 6.770 -11.940 1.00 0.00 C ATOM 4 O GLY A 1 -24.249 5.642 -11.449 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.408 7.051 -11.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.259 6.100 -10.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.673 7.632 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.833 7.940 -12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.125 8.617 -11.314 1.00 0.00 H new ATOM 10 N SER A 2 -23.216 7.257 -12.626 1.00 0.00 N ATOM 11 CA SER A 2 -22.006 6.475 -12.848 1.00 0.00 C ATOM 12 C SER A 2 -21.037 6.630 -11.681 1.00 0.00 C ATOM 13 O SER A 2 -21.009 7.667 -11.019 1.00 0.00 O ATOM 14 CB SER A 2 -21.328 6.903 -14.151 1.00 0.00 C ATOM 15 OG SER A 2 -21.746 6.091 -15.234 1.00 0.00 O ATOM 0 H SER A 2 -23.196 8.190 -13.038 1.00 0.00 H new ATOM 0 HA SER A 2 -22.290 5.425 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.564 7.946 -14.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.246 6.838 -14.040 1.00 0.00 H new ATOM 0 HG SER A 2 -21.300 6.386 -16.055 1.00 0.00 H new ATOM 21 N GLU A 3 -20.244 5.592 -11.435 1.00 0.00 N ATOM 22 CA GLU A 3 -19.272 5.614 -10.347 1.00 0.00 C ATOM 23 C GLU A 3 -19.966 5.803 -9.002 1.00 0.00 C ATOM 24 O GLU A 3 -20.140 6.929 -8.536 1.00 0.00 O ATOM 25 CB GLU A 3 -18.249 6.730 -10.573 1.00 0.00 C ATOM 26 CG GLU A 3 -16.808 6.273 -10.415 1.00 0.00 C ATOM 27 CD GLU A 3 -16.455 5.942 -8.978 1.00 0.00 C ATOM 28 OE1 GLU A 3 -17.099 6.501 -8.065 1.00 0.00 O ATOM 29 OE2 GLU A 3 -15.537 5.124 -8.765 1.00 0.00 O ATOM 0 H GLU A 3 -20.255 4.726 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.754 4.655 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.384 7.139 -11.574 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.444 7.539 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.639 5.395 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.141 7.055 -10.778 1.00 0.00 H new ATOM 36 N GLY A 4 -20.360 4.696 -8.384 1.00 0.00 N ATOM 37 CA GLY A 4 -21.031 4.762 -7.098 1.00 0.00 C ATOM 38 C GLY A 4 -20.144 4.302 -5.957 1.00 0.00 C ATOM 39 O GLY A 4 -19.538 5.120 -5.266 1.00 0.00 O ATOM 0 H GLY A 4 -20.227 3.753 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.354 5.786 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.929 4.145 -7.128 1.00 0.00 H new ATOM 43 N ALA A 5 -20.069 2.990 -5.760 1.00 0.00 N ATOM 44 CA ALA A 5 -19.251 2.423 -4.695 1.00 0.00 C ATOM 45 C ALA A 5 -17.901 1.955 -5.230 1.00 0.00 C ATOM 46 O ALA A 5 -17.808 1.440 -6.343 1.00 0.00 O ATOM 47 CB ALA A 5 -19.983 1.271 -4.024 1.00 0.00 C ATOM 0 H ALA A 5 -20.565 2.300 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.069 3.203 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.360 0.857 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.919 1.633 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.195 0.496 -4.761 1.00 0.00 H new ATOM 53 N ALA A 6 -16.858 2.139 -4.427 1.00 0.00 N ATOM 54 CA ALA A 6 -15.513 1.735 -4.819 1.00 0.00 C ATOM 55 C ALA A 6 -15.019 0.570 -3.967 1.00 0.00 C ATOM 56 O ALA A 6 -15.754 0.044 -3.131 1.00 0.00 O ATOM 57 CB ALA A 6 -14.556 2.913 -4.710 1.00 0.00 C ATOM 0 H ALA A 6 -16.918 2.565 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 6 -15.548 1.403 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.555 2.597 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.892 3.716 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.534 3.270 -3.680 1.00 0.00 H new ATOM 63 N THR A 7 -13.770 0.172 -4.185 1.00 0.00 N ATOM 64 CA THR A 7 -13.178 -0.931 -3.437 1.00 0.00 C ATOM 65 C THR A 7 -12.709 -0.468 -2.062 1.00 0.00 C ATOM 66 O THR A 7 -12.781 -1.215 -1.086 1.00 0.00 O ATOM 67 CB THR A 7 -12.004 -1.529 -4.214 1.00 0.00 C ATOM 68 OG1 THR A 7 -11.304 -2.470 -3.419 1.00 0.00 O ATOM 69 CG2 THR A 7 -11.007 -0.492 -4.683 1.00 0.00 C ATOM 0 H THR A 7 -13.148 0.597 -4.873 1.00 0.00 H new ATOM 0 HA THR A 7 -13.943 -1.696 -3.301 1.00 0.00 H new ATOM 0 HB THR A 7 -12.448 -2.004 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.558 -2.842 -3.934 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.200 -0.983 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.506 0.221 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.596 0.034 -3.821 1.00 0.00 H new ATOM 77 N MET A 8 -12.230 0.771 -1.992 1.00 0.00 N ATOM 78 CA MET A 8 -11.749 1.333 -0.736 1.00 0.00 C ATOM 79 C MET A 8 -12.227 2.772 -0.567 1.00 0.00 C ATOM 80 O MET A 8 -12.902 3.320 -1.439 1.00 0.00 O ATOM 81 CB MET A 8 -10.221 1.282 -0.681 1.00 0.00 C ATOM 82 CG MET A 8 -9.658 -0.128 -0.740 1.00 0.00 C ATOM 83 SD MET A 8 -7.856 -0.155 -0.807 1.00 0.00 S ATOM 84 CE MET A 8 -7.468 -0.801 0.817 1.00 0.00 C ATOM 0 H MET A 8 -12.165 1.403 -2.790 1.00 0.00 H new ATOM 0 HA MET A 8 -12.155 0.735 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.816 1.861 -1.511 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.882 1.762 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.993 -0.686 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.058 -0.638 -1.616 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.428 -1.126 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.621 -0.023 1.564 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.118 -1.648 1.037 1.00 0.00 H new ATOM 94 N THR A 9 -11.871 3.380 0.561 1.00 0.00 N ATOM 95 CA THR A 9 -12.263 4.755 0.845 1.00 0.00 C ATOM 96 C THR A 9 -11.055 5.592 1.251 1.00 0.00 C ATOM 97 O THR A 9 -9.947 5.074 1.390 1.00 0.00 O ATOM 98 CB THR A 9 -13.317 4.789 1.953 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.748 4.424 3.197 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.487 3.864 1.693 1.00 0.00 C ATOM 0 H THR A 9 -11.312 2.941 1.293 1.00 0.00 H new ATOM 0 HA THR A 9 -12.688 5.180 -0.064 1.00 0.00 H new ATOM 0 HB THR A 9 -13.683 5.815 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.437 4.453 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.198 3.936 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.978 4.151 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.129 2.838 1.612 1.00 0.00 H new ATOM 108 N GLU A 10 -11.276 6.890 1.438 1.00 0.00 N ATOM 109 CA GLU A 10 -10.204 7.799 1.827 1.00 0.00 C ATOM 110 C GLU A 10 -9.656 7.439 3.204 1.00 0.00 C ATOM 111 O GLU A 10 -8.476 7.645 3.486 1.00 0.00 O ATOM 112 CB GLU A 10 -10.708 9.243 1.827 1.00 0.00 C ATOM 113 CG GLU A 10 -10.825 9.846 0.436 1.00 0.00 C ATOM 114 CD GLU A 10 -12.228 9.736 -0.131 1.00 0.00 C ATOM 115 OE1 GLU A 10 -13.192 9.769 0.662 1.00 0.00 O ATOM 116 OE2 GLU A 10 -12.360 9.616 -1.367 1.00 0.00 O ATOM 0 H GLU A 10 -12.187 7.335 1.326 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.398 7.702 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.683 9.279 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.032 9.855 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.533 10.896 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.126 9.345 -0.233 1.00 0.00 H new ATOM 123 N ASP A 11 -10.521 6.902 4.058 1.00 0.00 N ATOM 124 CA ASP A 11 -10.122 6.515 5.406 1.00 0.00 C ATOM 125 C ASP A 11 -9.081 5.400 5.367 1.00 0.00 C ATOM 126 O ASP A 11 -8.215 5.316 6.237 1.00 0.00 O ATOM 127 CB ASP A 11 -11.341 6.061 6.212 1.00 0.00 C ATOM 128 CG ASP A 11 -12.148 7.229 6.745 1.00 0.00 C ATOM 129 OD1 ASP A 11 -11.716 7.842 7.743 1.00 0.00 O ATOM 130 OD2 ASP A 11 -13.212 7.530 6.165 1.00 0.00 O ATOM 0 H ASP A 11 -11.502 6.725 3.841 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.679 7.385 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.978 5.439 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.012 5.440 7.045 1.00 0.00 H new ATOM 135 N GLN A 12 -9.173 4.546 4.353 1.00 0.00 N ATOM 136 CA GLN A 12 -8.239 3.437 4.201 1.00 0.00 C ATOM 137 C GLN A 12 -6.953 3.898 3.523 1.00 0.00 C ATOM 138 O GLN A 12 -5.859 3.460 3.882 1.00 0.00 O ATOM 139 CB GLN A 12 -8.881 2.309 3.390 1.00 0.00 C ATOM 140 CG GLN A 12 -9.829 1.440 4.201 1.00 0.00 C ATOM 141 CD GLN A 12 -10.783 0.648 3.329 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.576 0.514 2.123 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.839 0.119 3.937 1.00 0.00 N ATOM 0 H GLN A 12 -9.885 4.601 3.625 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.991 3.065 5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.426 2.741 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.095 1.681 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.249 0.752 4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.402 2.070 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.972 0.255 4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.517 -0.423 3.402 1.00 0.00 H new ATOM 152 N VAL A 13 -7.091 4.784 2.544 1.00 0.00 N ATOM 153 CA VAL A 13 -5.940 5.306 1.816 1.00 0.00 C ATOM 154 C VAL A 13 -5.183 6.336 2.647 1.00 0.00 C ATOM 155 O VAL A 13 -3.969 6.486 2.511 1.00 0.00 O ATOM 156 CB VAL A 13 -6.363 5.950 0.482 1.00 0.00 C ATOM 157 CG1 VAL A 13 -5.142 6.322 -0.345 1.00 0.00 C ATOM 158 CG2 VAL A 13 -7.278 5.016 -0.295 1.00 0.00 C ATOM 0 H VAL A 13 -7.989 5.156 2.235 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.286 4.458 1.611 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.915 6.864 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.462 6.775 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.529 7.032 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.558 5.426 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.567 5.488 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.754 4.083 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.170 4.807 0.295 1.00 0.00 H new ATOM 168 N GLU A 14 -5.908 7.045 3.507 1.00 0.00 N ATOM 169 CA GLU A 14 -5.303 8.061 4.361 1.00 0.00 C ATOM 170 C GLU A 14 -4.414 7.422 5.423 1.00 0.00 C ATOM 171 O GLU A 14 -3.287 7.862 5.651 1.00 0.00 O ATOM 172 CB GLU A 14 -6.387 8.908 5.027 1.00 0.00 C ATOM 173 CG GLU A 14 -6.884 10.052 4.159 1.00 0.00 C ATOM 174 CD GLU A 14 -6.309 11.392 4.575 1.00 0.00 C ATOM 175 OE1 GLU A 14 -5.074 11.486 4.727 1.00 0.00 O ATOM 176 OE2 GLU A 14 -7.095 12.346 4.751 1.00 0.00 O ATOM 0 H GLU A 14 -6.914 6.935 3.631 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.683 8.704 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.230 8.267 5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.997 9.314 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.621 9.855 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.972 10.096 4.210 1.00 0.00 H new ATOM 183 N ILE A 15 -4.929 6.381 6.070 1.00 0.00 N ATOM 184 CA ILE A 15 -4.183 5.681 7.109 1.00 0.00 C ATOM 185 C ILE A 15 -3.104 4.789 6.504 1.00 0.00 C ATOM 186 O ILE A 15 -2.053 4.572 7.107 1.00 0.00 O ATOM 187 CB ILE A 15 -5.113 4.820 7.985 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.307 5.647 8.467 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.348 4.246 9.168 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.427 4.811 9.045 1.00 0.00 C ATOM 0 H ILE A 15 -5.860 6.004 5.893 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.714 6.444 7.731 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.487 3.992 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.967 6.356 9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.694 6.232 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.020 3.640 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.529 3.626 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.947 5.060 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.239 5.463 9.366 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.794 4.120 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.056 4.246 9.900 1.00 0.00 H new ATOM 202 N LEU A 16 -3.371 4.272 5.309 1.00 0.00 N ATOM 203 CA LEU A 16 -2.424 3.402 4.623 1.00 0.00 C ATOM 204 C LEU A 16 -1.189 4.181 4.181 1.00 0.00 C ATOM 205 O LEU A 16 -0.063 3.699 4.305 1.00 0.00 O ATOM 206 CB LEU A 16 -3.089 2.746 3.411 1.00 0.00 C ATOM 207 CG LEU A 16 -3.935 1.512 3.726 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.799 1.137 2.532 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.044 0.345 4.129 1.00 0.00 C ATOM 0 H LEU A 16 -4.236 4.441 4.796 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.110 2.626 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.721 3.485 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.314 2.464 2.699 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.592 1.749 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.394 0.257 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.462 1.967 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.161 0.918 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.662 -0.525 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.363 0.108 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.469 0.615 5.014 1.00 0.00 H new ATOM 221 N GLU A 17 -1.407 5.385 3.666 1.00 0.00 N ATOM 222 CA GLU A 17 -0.310 6.230 3.205 1.00 0.00 C ATOM 223 C GLU A 17 0.378 6.918 4.379 1.00 0.00 C ATOM 224 O GLU A 17 1.578 7.195 4.333 1.00 0.00 O ATOM 225 CB GLU A 17 -0.825 7.275 2.213 1.00 0.00 C ATOM 226 CG GLU A 17 -0.501 6.952 0.764 1.00 0.00 C ATOM 227 CD GLU A 17 -0.644 8.153 -0.149 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.777 8.663 -0.284 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.375 8.585 -0.726 1.00 0.00 O ATOM 0 H GLU A 17 -2.333 5.799 3.557 1.00 0.00 H new ATOM 0 HA GLU A 17 0.420 5.594 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.906 7.366 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.396 8.245 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.518 6.572 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.161 6.156 0.417 1.00 0.00 H new ATOM 236 N TYR A 18 -0.387 7.194 5.430 1.00 0.00 N ATOM 237 CA TYR A 18 0.151 7.852 6.616 1.00 0.00 C ATOM 238 C TYR A 18 1.118 6.934 7.357 1.00 0.00 C ATOM 239 O TYR A 18 2.111 7.392 7.921 1.00 0.00 O ATOM 240 CB TYR A 18 -0.985 8.276 7.550 1.00 0.00 C ATOM 241 CG TYR A 18 -0.517 9.058 8.757 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.188 8.436 9.780 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.778 10.417 8.872 1.00 0.00 C ATOM 244 CE1 TYR A 18 0.617 9.146 10.884 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.351 11.135 9.973 1.00 0.00 C ATOM 246 CZ TYR A 18 0.346 10.495 10.976 1.00 0.00 C ATOM 247 OH TYR A 18 0.771 11.206 12.074 1.00 0.00 O ATOM 0 H TYR A 18 -1.381 6.972 5.485 1.00 0.00 H new ATOM 0 HA TYR A 18 0.696 8.739 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.698 8.881 6.990 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.517 7.387 7.888 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.404 7.380 9.711 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.324 10.921 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.162 8.647 11.672 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.562 12.192 10.047 1.00 0.00 H new ATOM 0 HH TYR A 18 0.500 12.143 11.982 1.00 0.00 H new ATOM 257 N ASN A 19 0.821 5.639 7.354 1.00 0.00 N ATOM 258 CA ASN A 19 1.668 4.661 8.028 1.00 0.00 C ATOM 259 C ASN A 19 2.658 4.028 7.053 1.00 0.00 C ATOM 260 O ASN A 19 3.158 2.927 7.291 1.00 0.00 O ATOM 261 CB ASN A 19 0.809 3.573 8.675 1.00 0.00 C ATOM 262 CG ASN A 19 0.023 4.088 9.866 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.494 4.041 11.002 1.00 0.00 O ATOM 264 ND2 ASN A 19 -1.182 4.582 9.610 1.00 0.00 N ATOM 0 H ASN A 19 0.002 5.242 6.893 1.00 0.00 H new ATOM 0 HA ASN A 19 2.232 5.181 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.118 3.171 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.449 2.750 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.758 4.943 10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.532 4.601 8.652 1.00 0.00 H new ATOM 271 N PHE A 20 2.937 4.724 5.955 1.00 0.00 N ATOM 272 CA PHE A 20 3.866 4.224 4.949 1.00 0.00 C ATOM 273 C PHE A 20 5.059 5.162 4.779 1.00 0.00 C ATOM 274 O PHE A 20 6.143 4.733 4.379 1.00 0.00 O ATOM 275 CB PHE A 20 3.150 4.048 3.609 1.00 0.00 C ATOM 276 CG PHE A 20 4.024 3.469 2.532 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.684 2.266 2.729 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.187 4.129 1.325 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.489 1.733 1.740 1.00 0.00 C ATOM 280 CE2 PHE A 20 4.990 3.600 0.333 1.00 0.00 C ATOM 281 CZ PHE A 20 5.642 2.400 0.540 1.00 0.00 C ATOM 0 H PHE A 20 2.533 5.635 5.740 1.00 0.00 H new ATOM 0 HA PHE A 20 4.238 3.258 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.285 3.400 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.773 5.016 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.568 1.740 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.680 5.068 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.998 0.795 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.108 4.124 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.270 1.984 -0.234 1.00 0.00 H new ATOM 291 N ASN A 21 4.856 6.442 5.077 1.00 0.00 N ATOM 292 CA ASN A 21 5.919 7.433 4.947 1.00 0.00 C ATOM 293 C ASN A 21 6.334 7.984 6.309 1.00 0.00 C ATOM 294 O ASN A 21 7.488 8.360 6.509 1.00 0.00 O ATOM 295 CB ASN A 21 5.462 8.578 4.042 1.00 0.00 C ATOM 296 CG ASN A 21 5.230 8.128 2.613 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.087 8.303 1.748 1.00 0.00 O ATOM 298 ND2 ASN A 21 4.065 7.543 2.358 1.00 0.00 N ATOM 0 H ASN A 21 3.967 6.817 5.409 1.00 0.00 H new ATOM 0 HA ASN A 21 6.783 6.941 4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.542 9.006 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.212 9.368 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.853 7.219 1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.383 7.418 3.106 1.00 0.00 H new ATOM 305 N LYS A 22 5.386 8.036 7.240 1.00 0.00 N ATOM 306 CA LYS A 22 5.660 8.550 8.578 1.00 0.00 C ATOM 307 C LYS A 22 6.146 7.441 9.507 1.00 0.00 C ATOM 308 O LYS A 22 7.002 7.669 10.363 1.00 0.00 O ATOM 309 CB LYS A 22 4.408 9.206 9.162 1.00 0.00 C ATOM 310 CG LYS A 22 3.959 10.445 8.403 1.00 0.00 C ATOM 311 CD LYS A 22 2.924 10.106 7.344 1.00 0.00 C ATOM 312 CE LYS A 22 2.595 11.313 6.481 1.00 0.00 C ATOM 313 NZ LYS A 22 1.176 11.306 6.030 1.00 0.00 N ATOM 0 H LYS A 22 4.424 7.730 7.093 1.00 0.00 H new ATOM 0 HA LYS A 22 6.450 9.296 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.596 8.479 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.600 9.476 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.542 11.170 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.821 10.917 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.297 9.298 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.016 9.742 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.792 12.226 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.252 11.327 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.917 12.252 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.059 10.613 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.560 11.048 6.827 1.00 0.00 H new ATOM 327 N VAL A 23 5.594 6.245 9.339 1.00 0.00 N ATOM 328 CA VAL A 23 5.973 5.107 10.170 1.00 0.00 C ATOM 329 C VAL A 23 7.105 4.306 9.532 1.00 0.00 C ATOM 330 O VAL A 23 8.236 4.320 10.016 1.00 0.00 O ATOM 331 CB VAL A 23 4.775 4.175 10.428 1.00 0.00 C ATOM 332 CG1 VAL A 23 5.149 3.079 11.415 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.580 4.970 10.931 1.00 0.00 C ATOM 0 H VAL A 23 4.884 6.038 8.637 1.00 0.00 H new ATOM 0 HA VAL A 23 6.317 5.513 11.121 1.00 0.00 H new ATOM 0 HB VAL A 23 4.499 3.702 9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.288 2.432 11.583 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.972 2.490 11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.455 3.529 12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.743 4.295 11.108 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.843 5.473 11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.296 5.712 10.185 1.00 0.00 H new ATOM 343 N ASN A 24 6.793 3.608 8.445 1.00 0.00 N ATOM 344 CA ASN A 24 7.786 2.801 7.745 1.00 0.00 C ATOM 345 C ASN A 24 7.206 2.217 6.461 1.00 0.00 C ATOM 346 O ASN A 24 6.007 2.321 6.206 1.00 0.00 O ATOM 347 CB ASN A 24 8.286 1.673 8.651 1.00 0.00 C ATOM 348 CG ASN A 24 7.150 0.924 9.319 1.00 0.00 C ATOM 349 OD1 ASN A 24 6.018 0.932 8.838 1.00 0.00 O ATOM 350 ND2 ASN A 24 7.449 0.270 10.436 1.00 0.00 N ATOM 0 H ASN A 24 5.862 3.585 8.030 1.00 0.00 H new ATOM 0 HA ASN A 24 8.624 3.447 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.882 0.975 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.943 2.088 9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.726 -0.253 10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.402 0.290 10.799 1.00 0.00 H new ATOM 357 N LYS A 25 8.066 1.602 5.655 1.00 0.00 N ATOM 358 CA LYS A 25 7.637 1.003 4.396 1.00 0.00 C ATOM 359 C LYS A 25 7.622 -0.519 4.491 1.00 0.00 C ATOM 360 O LYS A 25 6.825 -1.184 3.829 1.00 0.00 O ATOM 361 CB LYS A 25 8.561 1.442 3.258 1.00 0.00 C ATOM 362 CG LYS A 25 8.466 2.924 2.935 1.00 0.00 C ATOM 363 CD LYS A 25 9.299 3.757 3.896 1.00 0.00 C ATOM 364 CE LYS A 25 9.832 5.015 3.227 1.00 0.00 C ATOM 365 NZ LYS A 25 9.494 6.241 4.001 1.00 0.00 N ATOM 0 H LYS A 25 9.062 1.505 5.851 1.00 0.00 H new ATOM 0 HA LYS A 25 6.623 1.346 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.590 1.202 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.320 0.867 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.805 3.097 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.425 3.242 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.693 4.032 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.132 3.161 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.914 4.939 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.418 5.095 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.703 6.735 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.220 5.976 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.322 6.869 4.035 1.00 0.00 H new ATOM 379 N HIS A 26 8.506 -1.067 5.321 1.00 0.00 N ATOM 380 CA HIS A 26 8.593 -2.511 5.500 1.00 0.00 C ATOM 381 C HIS A 26 8.323 -2.899 6.954 1.00 0.00 C ATOM 382 O HIS A 26 9.184 -3.467 7.625 1.00 0.00 O ATOM 383 CB HIS A 26 9.973 -3.017 5.071 1.00 0.00 C ATOM 384 CG HIS A 26 10.121 -3.165 3.589 1.00 0.00 C ATOM 385 ND1 HIS A 26 10.465 -4.356 2.982 1.00 0.00 N ATOM 386 CD2 HIS A 26 9.969 -2.266 2.588 1.00 0.00 C ATOM 387 CE1 HIS A 26 10.519 -4.181 1.673 1.00 0.00 C ATOM 388 NE2 HIS A 26 10.221 -2.923 1.409 1.00 0.00 N ATOM 0 H HIS A 26 9.171 -0.532 5.879 1.00 0.00 H new ATOM 0 HA HIS A 26 7.832 -2.976 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.734 -2.328 5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.161 -3.980 5.545 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.649 -5.234 3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.700 -1.226 2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.765 -4.939 0.944 1.00 0.00 H new ATOM 397 N PRO A 27 7.115 -2.596 7.460 1.00 0.00 N ATOM 398 CA PRO A 27 6.735 -2.917 8.839 1.00 0.00 C ATOM 399 C PRO A 27 6.516 -4.412 9.047 1.00 0.00 C ATOM 400 O PRO A 27 6.295 -5.155 8.092 1.00 0.00 O ATOM 401 CB PRO A 27 5.424 -2.153 9.032 1.00 0.00 C ATOM 402 CG PRO A 27 4.852 -2.035 7.663 1.00 0.00 C ATOM 403 CD PRO A 27 6.026 -1.919 6.730 1.00 0.00 C ATOM 0 HA PRO A 27 7.513 -2.642 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.748 -2.688 9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.598 -1.172 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.244 -2.906 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.204 -1.162 7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.826 -2.399 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.270 -0.878 6.520 1.00 0.00 H new ATOM 411 N ASP A 28 6.578 -4.844 10.302 1.00 0.00 N ATOM 412 CA ASP A 28 6.385 -6.251 10.636 1.00 0.00 C ATOM 413 C ASP A 28 4.899 -6.571 10.792 1.00 0.00 C ATOM 414 O ASP A 28 4.063 -5.667 10.829 1.00 0.00 O ATOM 415 CB ASP A 28 7.133 -6.601 11.926 1.00 0.00 C ATOM 416 CG ASP A 28 8.502 -5.951 12.000 1.00 0.00 C ATOM 417 OD1 ASP A 28 9.018 -5.532 10.942 1.00 0.00 O ATOM 418 OD2 ASP A 28 9.057 -5.860 13.115 1.00 0.00 O ATOM 0 H ASP A 28 6.760 -4.241 11.104 1.00 0.00 H new ATOM 0 HA ASP A 28 6.786 -6.852 9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.538 -6.286 12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.244 -7.683 11.995 1.00 0.00 H new ATOM 423 N PRO A 29 4.549 -7.866 10.886 1.00 0.00 N ATOM 424 CA PRO A 29 3.155 -8.297 11.037 1.00 0.00 C ATOM 425 C PRO A 29 2.483 -7.667 12.253 1.00 0.00 C ATOM 426 O PRO A 29 1.264 -7.502 12.285 1.00 0.00 O ATOM 427 CB PRO A 29 3.262 -9.815 11.211 1.00 0.00 C ATOM 428 CG PRO A 29 4.570 -10.178 10.597 1.00 0.00 C ATOM 429 CD PRO A 29 5.478 -9.009 10.851 1.00 0.00 C ATOM 0 HA PRO A 29 2.544 -7.997 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.228 -10.096 12.264 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.437 -10.329 10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.971 -11.089 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.462 -10.365 9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.020 -9.117 11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.223 -8.899 10.063 1.00 0.00 H new ATOM 437 N THR A 30 3.287 -7.317 13.252 1.00 0.00 N ATOM 438 CA THR A 30 2.771 -6.704 14.470 1.00 0.00 C ATOM 439 C THR A 30 2.231 -5.306 14.189 1.00 0.00 C ATOM 440 O THR A 30 1.108 -4.974 14.570 1.00 0.00 O ATOM 441 CB THR A 30 3.865 -6.636 15.536 1.00 0.00 C ATOM 442 OG1 THR A 30 4.828 -7.655 15.333 1.00 0.00 O ATOM 443 CG2 THR A 30 3.337 -6.779 16.946 1.00 0.00 C ATOM 0 H THR A 30 4.299 -7.448 13.242 1.00 0.00 H new ATOM 0 HA THR A 30 1.953 -7.323 14.839 1.00 0.00 H new ATOM 0 HB THR A 30 4.309 -5.646 15.430 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.555 -7.311 14.773 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.165 -6.722 17.652 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.628 -5.977 17.152 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.836 -7.742 17.051 1.00 0.00 H new ATOM 451 N THR A 31 3.038 -4.490 13.518 1.00 0.00 N ATOM 452 CA THR A 31 2.642 -3.127 13.185 1.00 0.00 C ATOM 453 C THR A 31 1.530 -3.123 12.142 1.00 0.00 C ATOM 454 O THR A 31 0.611 -2.305 12.201 1.00 0.00 O ATOM 455 CB THR A 31 3.844 -2.336 12.668 1.00 0.00 C ATOM 456 OG1 THR A 31 5.002 -2.626 13.431 1.00 0.00 O ATOM 457 CG2 THR A 31 3.634 -0.837 12.703 1.00 0.00 C ATOM 0 H THR A 31 3.970 -4.749 13.194 1.00 0.00 H new ATOM 0 HA THR A 31 2.267 -2.653 14.092 1.00 0.00 H new ATOM 0 HB THR A 31 3.968 -2.645 11.630 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.760 -2.111 13.083 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.524 -0.336 12.323 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.777 -0.575 12.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.449 -0.519 13.729 1.00 0.00 H new ATOM 465 N LEU A 32 1.618 -4.044 11.188 1.00 0.00 N ATOM 466 CA LEU A 32 0.618 -4.148 10.131 1.00 0.00 C ATOM 467 C LEU A 32 -0.759 -4.458 10.712 1.00 0.00 C ATOM 468 O LEU A 32 -1.782 -4.047 10.166 1.00 0.00 O ATOM 469 CB LEU A 32 1.019 -5.231 9.126 1.00 0.00 C ATOM 470 CG LEU A 32 0.780 -4.873 7.658 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.566 -3.628 7.278 1.00 0.00 C ATOM 472 CD2 LEU A 32 1.157 -6.041 6.759 1.00 0.00 C ATOM 0 H LEU A 32 2.371 -4.729 11.125 1.00 0.00 H new ATOM 0 HA LEU A 32 0.566 -3.188 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.077 -5.457 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.466 -6.142 9.357 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.281 -4.662 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.384 -3.388 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.248 -2.793 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.630 -3.809 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.981 -5.770 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.211 -6.282 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.549 -6.909 7.016 1.00 0.00 H new ATOM 484 N CYS A 33 -0.774 -5.186 11.824 1.00 0.00 N ATOM 485 CA CYS A 33 -2.025 -5.551 12.480 1.00 0.00 C ATOM 486 C CYS A 33 -2.720 -4.319 13.050 1.00 0.00 C ATOM 487 O CYS A 33 -3.949 -4.247 13.082 1.00 0.00 O ATOM 488 CB CYS A 33 -1.763 -6.564 13.596 1.00 0.00 C ATOM 489 SG CYS A 33 -3.256 -7.127 14.447 1.00 0.00 S ATOM 0 H CYS A 33 0.064 -5.534 12.289 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.679 -6.003 11.734 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.250 -7.428 13.174 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.088 -6.118 14.326 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.200 -6.247 14.295 1.00 0.00 H new ATOM 495 N LEU A 34 -1.927 -3.353 13.500 1.00 0.00 N ATOM 496 CA LEU A 34 -2.466 -2.124 14.070 1.00 0.00 C ATOM 497 C LEU A 34 -3.072 -1.241 12.983 1.00 0.00 C ATOM 498 O LEU A 34 -4.049 -0.531 13.221 1.00 0.00 O ATOM 499 CB LEU A 34 -1.370 -1.358 14.812 1.00 0.00 C ATOM 500 CG LEU A 34 -0.829 -2.051 16.065 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.404 -1.329 16.585 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.903 -2.120 17.139 1.00 0.00 C ATOM 0 H LEU A 34 -0.908 -3.397 13.481 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.252 -2.394 14.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.541 -1.184 14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.760 -0.380 15.096 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.542 -3.069 15.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.774 -1.836 17.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.178 -1.332 15.818 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.145 -0.300 16.835 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.502 -2.616 18.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.221 -1.111 17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.757 -2.683 16.764 1.00 0.00 H new ATOM 514 N ILE A 35 -2.486 -1.290 11.791 1.00 0.00 N ATOM 515 CA ILE A 35 -2.968 -0.495 10.669 1.00 0.00 C ATOM 516 C ILE A 35 -4.264 -1.070 10.105 1.00 0.00 C ATOM 517 O ILE A 35 -5.110 -0.335 9.596 1.00 0.00 O ATOM 518 CB ILE A 35 -1.921 -0.417 9.543 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.557 -0.022 10.113 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.361 0.574 8.476 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.553 -0.025 9.084 1.00 0.00 C ATOM 0 H ILE A 35 -1.676 -1.872 11.578 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.154 0.509 11.050 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.832 -1.401 9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.631 0.972 10.553 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.296 -0.709 10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.610 0.617 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.313 0.254 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.476 1.562 8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.490 0.265 9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.654 -1.024 8.661 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.315 0.683 8.290 1.00 0.00 H new ATOM 533 N ALA A 36 -4.411 -2.387 10.199 1.00 0.00 N ATOM 534 CA ALA A 36 -5.603 -3.060 9.699 1.00 0.00 C ATOM 535 C ALA A 36 -6.791 -2.838 10.628 1.00 0.00 C ATOM 536 O ALA A 36 -7.940 -2.807 10.186 1.00 0.00 O ATOM 537 CB ALA A 36 -5.336 -4.548 9.528 1.00 0.00 C ATOM 0 H ALA A 36 -3.719 -3.009 10.617 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.850 -2.632 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.235 -5.038 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.522 -4.692 8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.060 -4.981 10.489 1.00 0.00 H new ATOM 543 N ALA A 37 -6.507 -2.682 11.916 1.00 0.00 N ATOM 544 CA ALA A 37 -7.552 -2.462 12.908 1.00 0.00 C ATOM 545 C ALA A 37 -8.088 -1.037 12.834 1.00 0.00 C ATOM 546 O ALA A 37 -9.299 -0.816 12.854 1.00 0.00 O ATOM 547 CB ALA A 37 -7.024 -2.757 14.304 1.00 0.00 C ATOM 0 H ALA A 37 -5.561 -2.704 12.298 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.375 -3.143 12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.815 -2.589 15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.696 -3.795 14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.183 -2.099 14.521 1.00 0.00 H new ATOM 553 N GLU A 38 -7.179 -0.071 12.748 1.00 0.00 N ATOM 554 CA GLU A 38 -7.561 1.334 12.671 1.00 0.00 C ATOM 555 C GLU A 38 -8.400 1.603 11.426 1.00 0.00 C ATOM 556 O GLU A 38 -9.570 1.974 11.521 1.00 0.00 O ATOM 557 CB GLU A 38 -6.315 2.223 12.664 1.00 0.00 C ATOM 558 CG GLU A 38 -6.491 3.522 13.432 1.00 0.00 C ATOM 559 CD GLU A 38 -5.172 4.214 13.714 1.00 0.00 C ATOM 560 OE1 GLU A 38 -4.389 3.689 14.534 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.922 5.283 13.116 1.00 0.00 O ATOM 0 H GLU A 38 -6.173 -0.236 12.730 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.162 1.570 13.549 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.480 1.668 13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.049 2.454 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.135 4.192 12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.999 3.317 14.375 1.00 0.00 H new ATOM 568 N ALA A 39 -7.794 1.415 10.258 1.00 0.00 N ATOM 569 CA ALA A 39 -8.483 1.637 8.993 1.00 0.00 C ATOM 570 C ALA A 39 -9.712 0.742 8.872 1.00 0.00 C ATOM 571 O ALA A 39 -10.708 1.117 8.253 1.00 0.00 O ATOM 572 CB ALA A 39 -7.537 1.398 7.827 1.00 0.00 C ATOM 0 H ALA A 39 -6.826 1.109 10.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.818 2.674 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.066 1.568 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.693 2.084 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.173 0.371 7.858 1.00 0.00 H new ATOM 578 N GLY A 40 -9.634 -0.444 9.466 1.00 0.00 N ATOM 579 CA GLY A 40 -10.747 -1.374 9.413 1.00 0.00 C ATOM 580 C GLY A 40 -10.575 -2.422 8.331 1.00 0.00 C ATOM 581 O GLY A 40 -11.556 -2.948 7.805 1.00 0.00 O ATOM 0 H GLY A 40 -8.821 -0.778 9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.851 -1.867 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.670 -0.822 9.236 1.00 0.00 H new ATOM 585 N LEU A 41 -9.325 -2.728 7.998 1.00 0.00 N ATOM 586 CA LEU A 41 -9.028 -3.719 6.971 1.00 0.00 C ATOM 587 C LEU A 41 -8.310 -4.924 7.571 1.00 0.00 C ATOM 588 O LEU A 41 -8.106 -4.997 8.783 1.00 0.00 O ATOM 589 CB LEU A 41 -8.172 -3.099 5.865 1.00 0.00 C ATOM 590 CG LEU A 41 -8.805 -1.907 5.147 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.779 -1.207 4.269 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.000 -2.357 4.320 1.00 0.00 C ATOM 0 H LEU A 41 -8.502 -2.304 8.425 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.972 -4.056 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.223 -2.781 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.945 -3.869 5.128 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.154 -1.198 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.247 -0.361 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.954 -0.851 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.399 -1.907 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.438 -1.496 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.675 -3.086 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.744 -2.812 4.974 1.00 0.00 H new ATOM 604 N THR A 42 -7.928 -5.865 6.715 1.00 0.00 N ATOM 605 CA THR A 42 -7.232 -7.067 7.162 1.00 0.00 C ATOM 606 C THR A 42 -5.732 -6.950 6.913 1.00 0.00 C ATOM 607 O THR A 42 -5.295 -6.217 6.025 1.00 0.00 O ATOM 608 CB THR A 42 -7.786 -8.298 6.445 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.432 -8.281 5.073 1.00 0.00 O ATOM 610 CG2 THR A 42 -9.293 -8.413 6.528 1.00 0.00 C ATOM 0 H THR A 42 -8.088 -5.819 5.709 1.00 0.00 H new ATOM 0 HA THR A 42 -7.397 -7.176 8.234 1.00 0.00 H new ATOM 0 HB THR A 42 -7.344 -9.153 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.795 -9.077 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.619 -9.308 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.596 -8.479 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.751 -7.535 6.072 1.00 0.00 H new ATOM 618 N GLU A 43 -4.948 -7.677 7.702 1.00 0.00 N ATOM 619 CA GLU A 43 -3.496 -7.655 7.568 1.00 0.00 C ATOM 620 C GLU A 43 -3.071 -8.095 6.169 1.00 0.00 C ATOM 621 O GLU A 43 -2.046 -7.649 5.654 1.00 0.00 O ATOM 622 CB GLU A 43 -2.852 -8.563 8.617 1.00 0.00 C ATOM 623 CG GLU A 43 -1.555 -8.010 9.188 1.00 0.00 C ATOM 624 CD GLU A 43 -0.361 -8.894 8.888 1.00 0.00 C ATOM 625 OE1 GLU A 43 -0.531 -10.132 8.853 1.00 0.00 O ATOM 626 OE2 GLU A 43 0.745 -8.350 8.686 1.00 0.00 O ATOM 0 H GLU A 43 -5.294 -8.289 8.441 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.158 -6.631 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.559 -8.722 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.656 -9.538 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.378 -7.015 8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.657 -7.897 10.267 1.00 0.00 H new ATOM 633 N GLU A 44 -3.865 -8.969 5.562 1.00 0.00 N ATOM 634 CA GLU A 44 -3.571 -9.467 4.223 1.00 0.00 C ATOM 635 C GLU A 44 -3.746 -8.367 3.182 1.00 0.00 C ATOM 636 O GLU A 44 -2.859 -8.126 2.364 1.00 0.00 O ATOM 637 CB GLU A 44 -4.478 -10.652 3.887 1.00 0.00 C ATOM 638 CG GLU A 44 -3.797 -11.720 3.047 1.00 0.00 C ATOM 639 CD GLU A 44 -3.351 -12.913 3.869 1.00 0.00 C ATOM 640 OE1 GLU A 44 -2.600 -12.712 4.846 1.00 0.00 O ATOM 641 OE2 GLU A 44 -3.752 -14.048 3.536 1.00 0.00 O ATOM 0 H GLU A 44 -4.717 -9.348 5.975 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.532 -9.796 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.832 -11.102 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.356 -10.287 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.482 -12.056 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.932 -11.286 2.545 1.00 0.00 H new ATOM 648 N GLN A 45 -4.896 -7.701 3.219 1.00 0.00 N ATOM 649 CA GLN A 45 -5.188 -6.625 2.279 1.00 0.00 C ATOM 650 C GLN A 45 -4.165 -5.501 2.405 1.00 0.00 C ATOM 651 O GLN A 45 -3.733 -4.926 1.405 1.00 0.00 O ATOM 652 CB GLN A 45 -6.596 -6.077 2.519 1.00 0.00 C ATOM 653 CG GLN A 45 -7.689 -6.904 1.863 1.00 0.00 C ATOM 654 CD GLN A 45 -9.069 -6.579 2.403 1.00 0.00 C ATOM 655 OE1 GLN A 45 -9.967 -6.196 1.653 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.243 -6.731 3.710 1.00 0.00 N ATOM 0 H GLN A 45 -5.641 -7.888 3.890 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.132 -7.033 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.781 -6.031 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.649 -5.056 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.674 -6.731 0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.482 -7.963 2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.470 -7.051 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.150 -6.528 4.131 1.00 0.00 H new ATOM 665 N THR A 46 -3.783 -5.190 3.639 1.00 0.00 N ATOM 666 CA THR A 46 -2.812 -4.134 3.896 1.00 0.00 C ATOM 667 C THR A 46 -1.434 -4.520 3.367 1.00 0.00 C ATOM 668 O THR A 46 -0.653 -3.662 2.956 1.00 0.00 O ATOM 669 CB THR A 46 -2.730 -3.840 5.394 1.00 0.00 C ATOM 670 OG1 THR A 46 -4.016 -3.562 5.921 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.835 -2.666 5.727 1.00 0.00 C ATOM 0 H THR A 46 -4.132 -5.655 4.477 1.00 0.00 H new ATOM 0 HA THR A 46 -3.144 -3.237 3.374 1.00 0.00 H new ATOM 0 HB THR A 46 -2.304 -4.738 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.521 -4.397 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.822 -2.513 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.823 -2.869 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.214 -1.769 5.238 1.00 0.00 H new ATOM 679 N GLN A 47 -1.143 -5.816 3.380 1.00 0.00 N ATOM 680 CA GLN A 47 0.142 -6.317 2.902 1.00 0.00 C ATOM 681 C GLN A 47 0.314 -6.037 1.412 1.00 0.00 C ATOM 682 O GLN A 47 1.398 -5.665 0.962 1.00 0.00 O ATOM 683 CB GLN A 47 0.260 -7.818 3.168 1.00 0.00 C ATOM 684 CG GLN A 47 1.665 -8.261 3.543 1.00 0.00 C ATOM 685 CD GLN A 47 2.234 -9.281 2.577 1.00 0.00 C ATOM 686 OE1 GLN A 47 3.293 -9.069 1.985 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.532 -10.396 2.412 1.00 0.00 N ATOM 0 H GLN A 47 -1.779 -6.539 3.716 1.00 0.00 H new ATOM 0 HA GLN A 47 0.931 -5.797 3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.425 -8.091 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.058 -8.362 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.320 -7.390 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.652 -8.685 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.660 -10.530 2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.865 -11.119 1.774 1.00 0.00 H new ATOM 696 N LYS A 48 -0.760 -6.221 0.653 1.00 0.00 N ATOM 697 CA LYS A 48 -0.727 -5.989 -0.787 1.00 0.00 C ATOM 698 C LYS A 48 -0.520 -4.510 -1.096 1.00 0.00 C ATOM 699 O LYS A 48 0.100 -4.156 -2.099 1.00 0.00 O ATOM 700 CB LYS A 48 -2.024 -6.480 -1.434 1.00 0.00 C ATOM 701 CG LYS A 48 -2.382 -7.912 -1.069 1.00 0.00 C ATOM 702 CD LYS A 48 -1.279 -8.880 -1.465 1.00 0.00 C ATOM 703 CE LYS A 48 -1.532 -10.270 -0.903 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.282 -11.078 -0.837 1.00 0.00 N ATOM 0 H LYS A 48 -1.664 -6.530 1.010 1.00 0.00 H new ATOM 0 HA LYS A 48 0.112 -6.549 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.841 -5.823 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.932 -6.402 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.560 -7.981 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.311 -8.194 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.211 -8.932 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.320 -8.509 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.963 -10.185 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.265 -10.785 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.497 -12.019 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.116 -11.181 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.409 -10.600 -0.224 1.00 0.00 H new ATOM 718 N TRP A 49 -1.043 -3.650 -0.229 1.00 0.00 N ATOM 719 CA TRP A 49 -0.916 -2.209 -0.410 1.00 0.00 C ATOM 720 C TRP A 49 0.545 -1.775 -0.329 1.00 0.00 C ATOM 721 O TRP A 49 1.069 -1.149 -1.250 1.00 0.00 O ATOM 722 CB TRP A 49 -1.737 -1.466 0.646 1.00 0.00 C ATOM 723 CG TRP A 49 -2.040 -0.046 0.273 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.178 0.422 -0.317 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.189 1.089 0.464 1.00 0.00 C ATOM 726 NE1 TRP A 49 -3.088 1.780 -0.503 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.876 2.213 -0.033 1.00 0.00 C ATOM 728 CE3 TRP A 49 0.087 1.266 1.007 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.330 3.494 -0.001 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.628 2.537 1.037 1.00 0.00 C ATOM 731 CH2 TRP A 49 -0.080 3.637 0.536 1.00 0.00 C ATOM 0 H TRP A 49 -1.559 -3.926 0.606 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.297 -1.960 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.674 -1.999 0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.195 -1.478 1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.025 -0.186 -0.597 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.806 2.370 -0.923 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.640 0.424 1.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.874 4.344 -0.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.613 2.685 1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.370 4.618 0.574 1.00 0.00 H new ATOM 742 N PHE A 50 1.197 -2.113 0.778 1.00 0.00 N ATOM 743 CA PHE A 50 2.598 -1.758 0.979 1.00 0.00 C ATOM 744 C PHE A 50 3.487 -2.446 -0.051 1.00 0.00 C ATOM 745 O PHE A 50 4.460 -1.866 -0.532 1.00 0.00 O ATOM 746 CB PHE A 50 3.044 -2.139 2.392 1.00 0.00 C ATOM 747 CG PHE A 50 2.621 -1.152 3.442 1.00 0.00 C ATOM 748 CD1 PHE A 50 1.306 -0.721 3.517 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.539 -0.654 4.353 1.00 0.00 C ATOM 750 CE1 PHE A 50 0.913 0.187 4.481 1.00 0.00 C ATOM 751 CE2 PHE A 50 3.153 0.255 5.319 1.00 0.00 C ATOM 752 CZ PHE A 50 1.838 0.676 5.383 1.00 0.00 C ATOM 0 H PHE A 50 0.778 -2.632 1.550 1.00 0.00 H new ATOM 0 HA PHE A 50 2.696 -0.680 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.636 -3.119 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.130 -2.232 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.580 -1.100 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.568 -0.980 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.115 0.514 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.878 0.636 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.534 1.387 6.137 1.00 0.00 H new ATOM 762 N LYS A 51 3.147 -3.687 -0.385 1.00 0.00 N ATOM 763 CA LYS A 51 3.915 -4.455 -1.358 1.00 0.00 C ATOM 764 C LYS A 51 3.754 -3.876 -2.760 1.00 0.00 C ATOM 765 O LYS A 51 4.674 -3.932 -3.575 1.00 0.00 O ATOM 766 CB LYS A 51 3.473 -5.920 -1.344 1.00 0.00 C ATOM 767 CG LYS A 51 4.256 -6.800 -2.305 1.00 0.00 C ATOM 768 CD LYS A 51 3.532 -6.958 -3.632 1.00 0.00 C ATOM 769 CE LYS A 51 4.462 -7.476 -4.717 1.00 0.00 C ATOM 770 NZ LYS A 51 4.983 -6.376 -5.574 1.00 0.00 N ATOM 0 H LYS A 51 2.345 -4.182 0.004 1.00 0.00 H new ATOM 0 HA LYS A 51 4.968 -4.397 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.581 -6.314 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.414 -5.974 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.241 -6.366 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.413 -7.781 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.695 -7.645 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.115 -5.998 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.297 -8.005 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.930 -8.198 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.976 -6.566 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.418 -6.317 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.920 -5.475 -5.059 1.00 0.00 H new ATOM 784 N GLN A 52 2.578 -3.320 -3.035 1.00 0.00 N ATOM 785 CA GLN A 52 2.296 -2.731 -4.338 1.00 0.00 C ATOM 786 C GLN A 52 2.810 -1.297 -4.411 1.00 0.00 C ATOM 787 O GLN A 52 3.488 -0.917 -5.366 1.00 0.00 O ATOM 788 CB GLN A 52 0.794 -2.762 -4.622 1.00 0.00 C ATOM 789 CG GLN A 52 0.295 -4.111 -5.112 1.00 0.00 C ATOM 790 CD GLN A 52 -1.217 -4.176 -5.203 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.884 -3.156 -5.378 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.767 -5.378 -5.084 1.00 0.00 N ATOM 0 H GLN A 52 1.805 -3.265 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 52 2.813 -3.322 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.255 -2.493 -3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.558 -2.004 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.723 -4.318 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.649 -4.891 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.176 -6.197 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.780 -5.483 -5.137 1.00 0.00 H new ATOM 801 N ARG A 53 2.483 -0.505 -3.395 1.00 0.00 N ATOM 802 CA ARG A 53 2.911 0.889 -3.344 1.00 0.00 C ATOM 803 C ARG A 53 4.433 0.994 -3.365 1.00 0.00 C ATOM 804 O ARG A 53 4.991 1.965 -3.875 1.00 0.00 O ATOM 805 CB ARG A 53 2.360 1.567 -2.088 1.00 0.00 C ATOM 806 CG ARG A 53 1.947 3.013 -2.309 1.00 0.00 C ATOM 807 CD ARG A 53 0.622 3.107 -3.046 1.00 0.00 C ATOM 808 NE ARG A 53 0.006 4.424 -2.899 1.00 0.00 N ATOM 809 CZ ARG A 53 -1.277 4.675 -3.151 1.00 0.00 C ATOM 810 NH1 ARG A 53 -2.083 3.703 -3.562 1.00 0.00 N ATOM 811 NH2 ARG A 53 -1.756 5.901 -2.992 1.00 0.00 N ATOM 0 H ARG A 53 1.923 -0.804 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 53 2.518 1.395 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.499 1.003 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.116 1.530 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.867 3.521 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.719 3.530 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.780 2.897 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.058 2.344 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 53 0.594 5.196 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.720 2.758 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.065 3.902 -3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.142 6.652 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.739 6.094 -3.185 1.00 0.00 H new ATOM 825 N LEU A 54 5.098 -0.014 -2.810 1.00 0.00 N ATOM 826 CA LEU A 54 6.556 -0.035 -2.766 1.00 0.00 C ATOM 827 C LEU A 54 7.147 -0.006 -4.173 1.00 0.00 C ATOM 828 O LEU A 54 8.248 0.503 -4.383 1.00 0.00 O ATOM 829 CB LEU A 54 7.045 -1.279 -2.020 1.00 0.00 C ATOM 830 CG LEU A 54 7.212 -1.104 -0.510 1.00 0.00 C ATOM 831 CD1 LEU A 54 7.382 -2.457 0.166 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.396 -0.196 -0.204 1.00 0.00 C ATOM 0 H LEU A 54 4.651 -0.826 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 54 6.891 0.856 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.342 -2.092 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.002 -1.585 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 54 6.312 -0.634 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.500 -2.315 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.502 -3.072 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.266 -2.955 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.499 -0.083 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.306 -0.636 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.231 0.782 -0.657 1.00 0.00 H new ATOM 844 N ALA A 55 6.409 -0.555 -5.132 1.00 0.00 N ATOM 845 CA ALA A 55 6.861 -0.593 -6.518 1.00 0.00 C ATOM 846 C ALA A 55 7.158 0.809 -7.041 1.00 0.00 C ATOM 847 O ALA A 55 8.013 0.990 -7.908 1.00 0.00 O ATOM 848 CB ALA A 55 5.819 -1.274 -7.393 1.00 0.00 C ATOM 0 H ALA A 55 5.495 -0.980 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 55 7.786 -1.168 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.169 -1.296 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.660 -2.294 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.881 -0.721 -7.339 1.00 0.00 H new ATOM 854 N GLU A 56 6.448 1.798 -6.509 1.00 0.00 N ATOM 855 CA GLU A 56 6.637 3.183 -6.924 1.00 0.00 C ATOM 856 C GLU A 56 7.677 3.878 -6.051 1.00 0.00 C ATOM 857 O GLU A 56 8.392 4.769 -6.509 1.00 0.00 O ATOM 858 CB GLU A 56 5.311 3.942 -6.859 1.00 0.00 C ATOM 859 CG GLU A 56 4.299 3.488 -7.897 1.00 0.00 C ATOM 860 CD GLU A 56 4.254 4.403 -9.106 1.00 0.00 C ATOM 861 OE1 GLU A 56 5.322 4.646 -9.706 1.00 0.00 O ATOM 862 OE2 GLU A 56 3.151 4.875 -9.454 1.00 0.00 O ATOM 0 H GLU A 56 5.737 1.666 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 56 6.997 3.181 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.880 3.819 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.504 5.006 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.544 2.476 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.310 3.446 -7.441 1.00 0.00 H new ATOM 869 N TRP A 57 7.757 3.463 -4.790 1.00 0.00 N ATOM 870 CA TRP A 57 8.709 4.046 -3.853 1.00 0.00 C ATOM 871 C TRP A 57 10.144 3.757 -4.282 1.00 0.00 C ATOM 872 O TRP A 57 11.030 4.599 -4.131 1.00 0.00 O ATOM 873 CB TRP A 57 8.467 3.502 -2.443 1.00 0.00 C ATOM 874 CG TRP A 57 9.362 4.112 -1.408 1.00 0.00 C ATOM 875 CD1 TRP A 57 9.216 5.334 -0.816 1.00 0.00 C ATOM 876 CD2 TRP A 57 10.543 3.530 -0.845 1.00 0.00 C ATOM 877 NE1 TRP A 57 10.234 5.546 0.084 1.00 0.00 N ATOM 878 CE2 TRP A 57 11.060 4.453 0.084 1.00 0.00 C ATOM 879 CE3 TRP A 57 11.211 2.317 -1.033 1.00 0.00 C ATOM 880 CZ2 TRP A 57 12.215 4.201 0.821 1.00 0.00 C ATOM 881 CZ3 TRP A 57 12.358 2.069 -0.301 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.849 3.006 0.616 1.00 0.00 C ATOM 0 H TRP A 57 7.174 2.725 -4.395 1.00 0.00 H new ATOM 0 HA TRP A 57 8.561 5.126 -3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.428 3.682 -2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.613 2.422 -2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.418 6.032 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 57 10.354 6.381 0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.839 1.587 -1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.596 4.923 1.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.884 1.136 -0.439 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.747 2.781 1.173 1.00 0.00 H new ATOM 893 N ARG A 58 10.367 2.562 -4.818 1.00 0.00 N ATOM 894 CA ARG A 58 11.694 2.161 -5.269 1.00 0.00 C ATOM 895 C ARG A 58 12.131 2.982 -6.477 1.00 0.00 C ATOM 896 O ARG A 58 13.281 3.415 -6.564 1.00 0.00 O ATOM 897 CB ARG A 58 11.709 0.672 -5.618 1.00 0.00 C ATOM 898 CG ARG A 58 11.207 -0.220 -4.494 1.00 0.00 C ATOM 899 CD ARG A 58 10.625 -1.519 -5.030 1.00 0.00 C ATOM 900 NE ARG A 58 11.436 -2.676 -4.657 1.00 0.00 N ATOM 901 CZ ARG A 58 11.362 -3.859 -5.264 1.00 0.00 C ATOM 902 NH1 ARG A 58 10.517 -4.045 -6.271 1.00 0.00 N ATOM 903 NH2 ARG A 58 12.134 -4.859 -4.861 1.00 0.00 N ATOM 0 H ARG A 58 9.645 1.854 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 58 12.396 2.344 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.094 0.508 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.726 0.378 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.027 -0.442 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.448 0.310 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.612 -1.648 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.551 -1.463 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 58 12.097 -2.571 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.920 -3.279 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.465 -4.953 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.784 -4.722 -4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.078 -5.766 -5.325 1.00 0.00 H new ATOM 917 N ARG A 59 11.208 3.195 -7.409 1.00 0.00 N ATOM 918 CA ARG A 59 11.498 3.965 -8.613 1.00 0.00 C ATOM 919 C ARG A 59 11.553 5.457 -8.305 1.00 0.00 C ATOM 920 O ARG A 59 12.291 6.206 -8.944 1.00 0.00 O ATOM 921 CB ARG A 59 10.442 3.692 -9.686 1.00 0.00 C ATOM 922 CG ARG A 59 10.658 2.386 -10.433 1.00 0.00 C ATOM 923 CD ARG A 59 10.293 2.517 -11.902 1.00 0.00 C ATOM 924 NE ARG A 59 10.624 1.311 -12.659 1.00 0.00 N ATOM 925 CZ ARG A 59 11.865 0.954 -12.979 1.00 0.00 C ATOM 926 NH1 ARG A 59 12.895 1.707 -12.612 1.00 0.00 N ATOM 927 NH2 ARG A 59 12.078 -0.159 -13.668 1.00 0.00 N ATOM 0 H ARG A 59 10.252 2.845 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 59 12.474 3.654 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.457 3.675 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.442 4.514 -10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.701 2.082 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.056 1.601 -9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.226 2.721 -11.994 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.819 3.370 -12.331 1.00 0.00 H new ATOM 0 HE ARG A 59 9.858 0.708 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.737 2.564 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.844 1.428 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.290 -0.741 -13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.029 -0.433 -13.913 1.00 0.00 H new ATOM 941 N SER A 60 10.765 5.884 -7.323 1.00 0.00 N ATOM 942 CA SER A 60 10.725 7.288 -6.931 1.00 0.00 C ATOM 943 C SER A 60 11.980 7.671 -6.154 1.00 0.00 C ATOM 944 O SER A 60 12.595 8.704 -6.419 1.00 0.00 O ATOM 945 CB SER A 60 9.482 7.567 -6.084 1.00 0.00 C ATOM 946 OG SER A 60 9.529 8.867 -5.521 1.00 0.00 O ATOM 0 H SER A 60 10.146 5.278 -6.785 1.00 0.00 H new ATOM 0 HA SER A 60 10.682 7.892 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.588 7.466 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.406 6.825 -5.289 1.00 0.00 H new ATOM 0 HG SER A 60 8.723 9.021 -4.986 1.00 0.00 H new ATOM 952 N GLU A 61 12.355 6.831 -5.195 1.00 0.00 N ATOM 953 CA GLU A 61 13.538 7.082 -4.379 1.00 0.00 C ATOM 954 C GLU A 61 14.813 6.836 -5.179 1.00 0.00 C ATOM 955 O GLU A 61 15.720 7.669 -5.191 1.00 0.00 O ATOM 956 CB GLU A 61 13.522 6.192 -3.136 1.00 0.00 C ATOM 957 CG GLU A 61 12.430 6.553 -2.144 1.00 0.00 C ATOM 958 CD GLU A 61 12.476 8.011 -1.730 1.00 0.00 C ATOM 959 OE1 GLU A 61 13.318 8.357 -0.874 1.00 0.00 O ATOM 960 OE2 GLU A 61 11.673 8.805 -2.261 1.00 0.00 O ATOM 0 H GLU A 61 11.857 5.971 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 61 13.521 8.127 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.393 5.154 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.490 6.259 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.457 6.335 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.527 5.925 -1.259 1.00 0.00 H new ATOM 967 N GLY A 62 14.876 5.689 -5.848 1.00 0.00 N ATOM 968 CA GLY A 62 16.046 5.356 -6.642 1.00 0.00 C ATOM 969 C GLY A 62 16.687 4.051 -6.213 1.00 0.00 C ATOM 970 O GLY A 62 17.827 4.035 -5.748 1.00 0.00 O ATOM 0 H GLY A 62 14.139 4.984 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.761 5.289 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.777 6.160 -6.560 1.00 0.00 H new ATOM 974 N LEU A 63 15.954 2.954 -6.371 1.00 0.00 N ATOM 975 CA LEU A 63 16.458 1.637 -5.998 1.00 0.00 C ATOM 976 C LEU A 63 16.831 0.829 -7.239 1.00 0.00 C ATOM 977 O LEU A 63 16.467 1.191 -8.358 1.00 0.00 O ATOM 978 CB LEU A 63 15.410 0.883 -5.174 1.00 0.00 C ATOM 979 CG LEU A 63 15.612 0.943 -3.660 1.00 0.00 C ATOM 980 CD1 LEU A 63 15.639 2.387 -3.182 1.00 0.00 C ATOM 981 CD2 LEU A 63 14.517 0.165 -2.946 1.00 0.00 C ATOM 0 H LEU A 63 15.009 2.951 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 63 17.354 1.772 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.425 1.286 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.409 -0.162 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 63 16.572 0.485 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.784 2.410 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.458 2.916 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.695 2.871 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.676 0.218 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.546 0.595 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.543 -0.877 -3.266 1.00 0.00 H new ATOM 993 N PRO A 64 17.566 -0.282 -7.057 1.00 0.00 N ATOM 994 CA PRO A 64 17.987 -1.141 -8.170 1.00 0.00 C ATOM 995 C PRO A 64 16.808 -1.841 -8.837 1.00 0.00 C ATOM 996 O PRO A 64 15.654 -1.627 -8.464 1.00 0.00 O ATOM 997 CB PRO A 64 18.912 -2.164 -7.507 1.00 0.00 C ATOM 998 CG PRO A 64 18.497 -2.185 -6.077 1.00 0.00 C ATOM 999 CD PRO A 64 18.044 -0.788 -5.758 1.00 0.00 C ATOM 0 HA PRO A 64 18.467 -0.570 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.805 -3.148 -7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.958 -1.876 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.693 -2.903 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 64 19.325 -2.483 -5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 64 17.253 -0.783 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 64 18.859 -0.181 -5.365 1.00 0.00 H new ATOM 1007 N SER A 65 17.105 -2.677 -9.826 1.00 0.00 N ATOM 1008 CA SER A 65 16.067 -3.409 -10.545 1.00 0.00 C ATOM 1009 C SER A 65 16.345 -4.908 -10.525 1.00 0.00 C ATOM 1010 O SER A 65 17.469 -5.339 -10.270 1.00 0.00 O ATOM 1011 CB SER A 65 15.971 -2.916 -11.990 1.00 0.00 C ATOM 1012 OG SER A 65 15.057 -3.700 -12.737 1.00 0.00 O ATOM 0 H SER A 65 18.054 -2.865 -10.148 1.00 0.00 H new ATOM 0 HA SER A 65 15.117 -3.227 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.654 -1.873 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.955 -2.955 -12.457 1.00 0.00 H new ATOM 0 HG SER A 65 15.013 -3.364 -13.656 1.00 0.00 H new ATOM 1018 N GLU A 66 15.310 -5.699 -10.795 1.00 0.00 N ATOM 1019 CA GLU A 66 15.439 -7.151 -10.809 1.00 0.00 C ATOM 1020 C GLU A 66 16.294 -7.611 -11.985 1.00 0.00 C ATOM 1021 O GLU A 66 15.791 -7.802 -13.093 1.00 0.00 O ATOM 1022 CB GLU A 66 14.058 -7.805 -10.878 1.00 0.00 C ATOM 1023 CG GLU A 66 13.951 -9.084 -10.066 1.00 0.00 C ATOM 1024 CD GLU A 66 13.278 -8.869 -8.724 1.00 0.00 C ATOM 1025 OE1 GLU A 66 12.442 -7.946 -8.620 1.00 0.00 O ATOM 1026 OE2 GLU A 66 13.587 -9.623 -7.777 1.00 0.00 O ATOM 0 H GLU A 66 14.373 -5.357 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 66 15.932 -7.456 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.311 -7.095 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.820 -8.024 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.390 -9.825 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.949 -9.493 -9.906 1.00 0.00 H new ATOM 1033 N CYS A 67 17.587 -7.787 -11.738 1.00 0.00 N ATOM 1034 CA CYS A 67 18.511 -8.224 -12.777 1.00 0.00 C ATOM 1035 C CYS A 67 18.845 -9.705 -12.619 1.00 0.00 C ATOM 1036 O CYS A 67 18.424 -10.347 -11.658 1.00 0.00 O ATOM 1037 CB CYS A 67 19.794 -7.393 -12.731 1.00 0.00 C ATOM 1038 SG CYS A 67 20.498 -7.033 -14.357 1.00 0.00 S ATOM 0 H CYS A 67 18.019 -7.634 -10.827 1.00 0.00 H new ATOM 0 HA CYS A 67 18.027 -8.079 -13.743 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.587 -6.453 -12.220 1.00 0.00 H new ATOM 0 HB3 CYS A 67 20.537 -7.923 -12.135 1.00 0.00 H new ATOM 0 HG CYS A 67 21.579 -6.324 -14.215 1.00 0.00 H new ATOM 1044 N ARG A 68 19.605 -10.239 -13.570 1.00 0.00 N ATOM 1045 CA ARG A 68 19.996 -11.643 -13.538 1.00 0.00 C ATOM 1046 C ARG A 68 21.014 -11.899 -12.431 1.00 0.00 C ATOM 1047 O ARG A 68 20.693 -12.496 -11.404 1.00 0.00 O ATOM 1048 CB ARG A 68 20.576 -12.064 -14.889 1.00 0.00 C ATOM 1049 CG ARG A 68 19.524 -12.528 -15.884 1.00 0.00 C ATOM 1050 CD ARG A 68 19.648 -11.797 -17.212 1.00 0.00 C ATOM 1051 NE ARG A 68 20.812 -12.241 -17.975 1.00 0.00 N ATOM 1052 CZ ARG A 68 20.970 -12.026 -19.280 1.00 0.00 C ATOM 1053 NH1 ARG A 68 20.041 -11.374 -19.968 1.00 0.00 N ATOM 1054 NH2 ARG A 68 22.059 -12.462 -19.896 1.00 0.00 N ATOM 0 H ARG A 68 19.962 -9.720 -14.372 1.00 0.00 H new ATOM 0 HA ARG A 68 19.106 -12.238 -13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 68 21.124 -11.225 -15.317 1.00 0.00 H new ATOM 0 HB3 ARG A 68 21.295 -12.868 -14.732 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.625 -13.601 -16.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.530 -12.362 -15.468 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.745 -11.959 -17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.721 -10.725 -17.030 1.00 0.00 H new ATOM 0 HE ARG A 68 21.547 -12.745 -17.479 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.202 -11.035 -19.498 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.166 -11.212 -20.967 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.776 -12.962 -19.371 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.180 -12.297 -20.895 1.00 0.00 H new ATOM 1068 N SER A 69 22.243 -11.441 -12.648 1.00 0.00 N ATOM 1069 CA SER A 69 23.309 -11.619 -11.668 1.00 0.00 C ATOM 1070 C SER A 69 24.292 -10.456 -11.715 1.00 0.00 C ATOM 1071 O SER A 69 25.119 -10.364 -12.623 1.00 0.00 O ATOM 1072 CB SER A 69 24.047 -12.936 -11.919 1.00 0.00 C ATOM 1073 OG SER A 69 23.135 -13.998 -12.144 1.00 0.00 O ATOM 0 H SER A 69 22.525 -10.944 -13.493 1.00 0.00 H new ATOM 0 HA SER A 69 22.855 -11.647 -10.677 1.00 0.00 H new ATOM 0 HB2 SER A 69 24.705 -12.829 -12.781 1.00 0.00 H new ATOM 0 HB3 SER A 69 24.679 -13.171 -11.063 1.00 0.00 H new ATOM 0 HG SER A 69 23.632 -14.828 -12.303 1.00 0.00 H new ATOM 1079 N VAL A 70 24.197 -9.567 -10.731 1.00 0.00 N ATOM 1080 CA VAL A 70 25.080 -8.409 -10.661 1.00 0.00 C ATOM 1081 C VAL A 70 26.469 -8.804 -10.172 1.00 0.00 C ATOM 1082 O VAL A 70 26.670 -9.909 -9.671 1.00 0.00 O ATOM 1083 CB VAL A 70 24.510 -7.325 -9.728 1.00 0.00 C ATOM 1084 CG1 VAL A 70 23.304 -6.652 -10.364 1.00 0.00 C ATOM 1085 CG2 VAL A 70 24.146 -7.920 -8.375 1.00 0.00 C ATOM 0 H VAL A 70 23.518 -9.627 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 70 25.155 -8.007 -11.672 1.00 0.00 H new ATOM 0 HB VAL A 70 25.278 -6.568 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 70 22.915 -5.889 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.600 -6.188 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 70 22.531 -7.396 -10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.745 -7.138 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.396 -8.699 -8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 70 25.036 -8.349 -7.915 1.00 0.00 H new ATOM 1095 N THR A 71 27.424 -7.892 -10.322 1.00 0.00 N ATOM 1096 CA THR A 71 28.795 -8.145 -9.896 1.00 0.00 C ATOM 1097 C THR A 71 29.107 -7.404 -8.598 1.00 0.00 C ATOM 1098 O THR A 71 29.489 -8.013 -7.600 1.00 0.00 O ATOM 1099 CB THR A 71 29.779 -7.720 -10.987 1.00 0.00 C ATOM 1100 OG1 THR A 71 29.478 -6.416 -11.454 1.00 0.00 O ATOM 1101 CG2 THR A 71 29.781 -8.647 -12.184 1.00 0.00 C ATOM 0 H THR A 71 27.274 -6.972 -10.735 1.00 0.00 H new ATOM 0 HA THR A 71 28.901 -9.215 -9.718 1.00 0.00 H new ATOM 0 HB THR A 71 30.763 -7.754 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 71 30.119 -6.162 -12.150 1.00 0.00 H new ATOM 0 HG21 THR A 71 30.500 -8.289 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 71 30.058 -9.652 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.786 -8.669 -12.629 1.00 0.00 H new ATOM 1109 N ASP A 72 28.939 -6.085 -8.621 1.00 0.00 N ATOM 1110 CA ASP A 72 29.202 -5.262 -7.447 1.00 0.00 C ATOM 1111 C ASP A 72 27.921 -4.601 -6.946 1.00 0.00 C ATOM 1112 O ASP A 72 26.948 -4.533 -7.725 1.00 0.00 O ATOM 1113 CB ASP A 72 30.247 -4.192 -7.771 1.00 0.00 C ATOM 1114 CG ASP A 72 31.513 -4.782 -8.361 1.00 0.00 C ATOM 1115 OD1 ASP A 72 31.816 -5.956 -8.064 1.00 0.00 O ATOM 1116 OD2 ASP A 72 32.201 -4.068 -9.122 1.00 0.00 O ATOM 1117 OXT ASP A 72 27.902 -4.159 -5.778 1.00 0.00 O ATOM 0 H ASP A 72 28.622 -5.565 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 72 29.587 -5.911 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.823 -3.474 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 72 30.494 -3.642 -6.863 1.00 0.00 H new TER 1122 ASP A 72