USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 814 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 62 THR OG1 : rot 122:sc= 0.965 USER MOD Set 1.2: A 66 GLN : amide:sc= 1.36 K(o=2.3,f=-0.54) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.517 K(o=-1.1,f=-3.1) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.558 K(o=-1.1,f=-1.9!) USER MOD Set 3.1: A 19 HIS :FLIP no HD1:sc= -8.03! C(o=-11!,f=-9.8!) USER MOD Set 3.2: A 21 MET CE :methyl -139:sc= -1.76 (180deg=-2.03) USER MOD Set 4.1: A 5 SER OG : rot -102:sc= 0.253 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.314 X(o=-0.062,f=-0.56) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc=-0.00656 (180deg=-0.116) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 35 GLN : amide:sc= -1.23 K(o=-1.2,f=-5!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3.1!) USER MOD Single : A 46 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-5!) USER MOD Single : A 50 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= -1.47 (180deg=-1.5) USER MOD Single : A 61 THR OG1 : rot -48:sc= -0.384 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -79:sc= 0.14 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= -2.7 (180deg=-7.12!) USER MOD Single : A 87 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.019) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.055) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -111:sc= 0.212 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.902 -0.526 18.699 1.00 0.00 N ATOM 2 CA GLY A 1 -8.185 -1.197 18.800 1.00 0.00 C ATOM 3 C GLY A 1 -8.454 -2.113 17.624 1.00 0.00 C ATOM 4 O GLY A 1 -8.272 -1.724 16.470 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.765 0.088 19.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.141 -1.235 18.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.878 0.050 17.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.217 -1.777 19.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.977 -0.451 18.864 1.00 0.00 H new ATOM 8 N SER A 2 -8.888 -3.336 17.916 1.00 0.00 N ATOM 9 CA SER A 2 -9.178 -4.313 16.873 1.00 0.00 C ATOM 10 C SER A 2 -9.953 -3.671 15.727 1.00 0.00 C ATOM 11 O SER A 2 -10.942 -2.971 15.947 1.00 0.00 O ATOM 12 CB SER A 2 -9.973 -5.485 17.450 1.00 0.00 C ATOM 13 OG SER A 2 -11.263 -5.070 17.867 1.00 0.00 O ATOM 0 H SER A 2 -9.046 -3.673 18.866 1.00 0.00 H new ATOM 0 HA SER A 2 -8.230 -4.684 16.483 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.065 -6.271 16.700 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.434 -5.913 18.295 1.00 0.00 H new ATOM 0 HG SER A 2 -11.752 -5.838 18.230 1.00 0.00 H new ATOM 19 N SER A 3 -9.498 -3.915 14.501 1.00 0.00 N ATOM 20 CA SER A 3 -10.148 -3.359 13.320 1.00 0.00 C ATOM 21 C SER A 3 -11.123 -4.362 12.713 1.00 0.00 C ATOM 22 O SER A 3 -10.731 -5.448 12.289 1.00 0.00 O ATOM 23 CB SER A 3 -9.101 -2.955 12.280 1.00 0.00 C ATOM 24 OG SER A 3 -9.676 -2.157 11.261 1.00 0.00 O ATOM 0 H SER A 3 -8.682 -4.494 14.300 1.00 0.00 H new ATOM 0 HA SER A 3 -10.708 -2.475 13.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.295 -2.405 12.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.657 -3.848 11.840 1.00 0.00 H new ATOM 0 HG SER A 3 -8.986 -1.911 10.610 1.00 0.00 H new ATOM 30 N GLY A 4 -12.399 -3.989 12.675 1.00 0.00 N ATOM 31 CA GLY A 4 -13.412 -4.866 12.119 1.00 0.00 C ATOM 32 C GLY A 4 -14.052 -4.293 10.869 1.00 0.00 C ATOM 33 O GLY A 4 -13.549 -4.486 9.763 1.00 0.00 O ATOM 0 H GLY A 4 -12.749 -3.095 13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.963 -5.831 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.183 -5.047 12.868 1.00 0.00 H new ATOM 37 N SER A 5 -15.166 -3.589 11.045 1.00 0.00 N ATOM 38 CA SER A 5 -15.877 -2.991 9.923 1.00 0.00 C ATOM 39 C SER A 5 -16.452 -4.069 9.008 1.00 0.00 C ATOM 40 O SER A 5 -15.849 -5.125 8.821 1.00 0.00 O ATOM 41 CB SER A 5 -14.945 -2.076 9.127 1.00 0.00 C ATOM 42 OG SER A 5 -15.231 -0.712 9.381 1.00 0.00 O ATOM 0 H SER A 5 -15.595 -3.419 11.955 1.00 0.00 H new ATOM 0 HA SER A 5 -16.700 -2.399 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.909 -2.289 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.052 -2.281 8.062 1.00 0.00 H new ATOM 0 HG SER A 5 -15.742 -0.340 8.632 1.00 0.00 H new ATOM 48 N SER A 6 -17.622 -3.794 8.441 1.00 0.00 N ATOM 49 CA SER A 6 -18.282 -4.740 7.549 1.00 0.00 C ATOM 50 C SER A 6 -19.171 -4.013 6.546 1.00 0.00 C ATOM 51 O SER A 6 -20.079 -3.273 6.926 1.00 0.00 O ATOM 52 CB SER A 6 -19.114 -5.739 8.355 1.00 0.00 C ATOM 53 OG SER A 6 -18.718 -7.072 8.080 1.00 0.00 O ATOM 0 H SER A 6 -18.133 -2.923 8.584 1.00 0.00 H new ATOM 0 HA SER A 6 -17.511 -5.280 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.001 -5.535 9.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.170 -5.614 8.116 1.00 0.00 H new ATOM 0 HG SER A 6 -19.264 -7.691 8.609 1.00 0.00 H new ATOM 59 N GLY A 7 -18.904 -4.227 5.261 1.00 0.00 N ATOM 60 CA GLY A 7 -19.688 -3.585 4.223 1.00 0.00 C ATOM 61 C GLY A 7 -19.317 -2.127 4.033 1.00 0.00 C ATOM 62 O GLY A 7 -18.775 -1.749 2.996 1.00 0.00 O ATOM 0 H GLY A 7 -18.158 -4.834 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.546 -4.118 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.746 -3.658 4.474 1.00 0.00 H new ATOM 66 N GLN A 8 -19.613 -1.309 5.038 1.00 0.00 N ATOM 67 CA GLN A 8 -19.308 0.116 4.975 1.00 0.00 C ATOM 68 C GLN A 8 -20.334 0.855 4.123 1.00 0.00 C ATOM 69 O GLN A 8 -20.958 1.815 4.576 1.00 0.00 O ATOM 70 CB GLN A 8 -17.904 0.335 4.409 1.00 0.00 C ATOM 71 CG GLN A 8 -17.200 1.555 4.980 1.00 0.00 C ATOM 72 CD GLN A 8 -17.316 1.641 6.490 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.889 0.738 7.209 1.00 0.00 O ATOM 74 NE2 GLN A 8 -17.895 2.732 6.978 1.00 0.00 N ATOM 0 H GLN A 8 -20.063 -1.607 5.904 1.00 0.00 H new ATOM 0 HA GLN A 8 -19.349 0.515 5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.299 -0.549 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.970 0.438 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.147 1.526 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.623 2.456 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.235 3.456 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.000 2.846 7.986 1.00 0.00 H new ATOM 83 N LYS A 9 -20.504 0.403 2.885 1.00 0.00 N ATOM 84 CA LYS A 9 -21.455 1.019 1.967 1.00 0.00 C ATOM 85 C LYS A 9 -21.189 2.515 1.833 1.00 0.00 C ATOM 86 O LYS A 9 -21.699 3.319 2.611 1.00 0.00 O ATOM 87 CB LYS A 9 -22.887 0.786 2.453 1.00 0.00 C ATOM 88 CG LYS A 9 -23.445 -0.574 2.073 1.00 0.00 C ATOM 89 CD LYS A 9 -24.878 -0.743 2.552 1.00 0.00 C ATOM 90 CE LYS A 9 -25.408 -2.135 2.245 1.00 0.00 C ATOM 91 NZ LYS A 9 -25.439 -2.407 0.782 1.00 0.00 N ATOM 0 H LYS A 9 -19.994 -0.389 2.494 1.00 0.00 H new ATOM 0 HA LYS A 9 -21.330 0.556 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.915 0.891 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.532 1.562 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.406 -0.695 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.822 -1.357 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.927 -0.562 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.513 0.003 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.783 -2.879 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.412 -2.240 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.959 -3.290 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.913 -1.621 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.466 -2.500 0.426 1.00 0.00 H new ATOM 105 N GLY A 10 -20.386 2.882 0.838 1.00 0.00 N ATOM 106 CA GLY A 10 -20.068 4.281 0.619 1.00 0.00 C ATOM 107 C GLY A 10 -18.785 4.467 -0.168 1.00 0.00 C ATOM 108 O GLY A 10 -17.704 4.113 0.301 1.00 0.00 O ATOM 0 H GLY A 10 -19.950 2.235 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.890 4.758 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.977 4.785 1.581 1.00 0.00 H new ATOM 112 N ARG A 11 -18.905 5.023 -1.369 1.00 0.00 N ATOM 113 CA ARG A 11 -17.747 5.253 -2.224 1.00 0.00 C ATOM 114 C ARG A 11 -16.959 6.472 -1.754 1.00 0.00 C ATOM 115 O ARG A 11 -17.460 7.290 -0.983 1.00 0.00 O ATOM 116 CB ARG A 11 -18.189 5.446 -3.676 1.00 0.00 C ATOM 117 CG ARG A 11 -17.288 4.751 -4.684 1.00 0.00 C ATOM 118 CD ARG A 11 -18.071 3.779 -5.553 1.00 0.00 C ATOM 119 NE ARG A 11 -17.917 2.397 -5.104 1.00 0.00 N ATOM 120 CZ ARG A 11 -18.309 1.346 -5.813 1.00 0.00 C ATOM 121 NH1 ARG A 11 -18.874 1.517 -7.001 1.00 0.00 N ATOM 122 NH2 ARG A 11 -18.136 0.119 -5.337 1.00 0.00 N ATOM 0 H ARG A 11 -19.793 5.323 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.100 4.378 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.206 5.070 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.216 6.512 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.803 5.496 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.497 4.215 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.127 4.049 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.734 3.864 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.484 2.231 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.008 2.458 -7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.174 0.708 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.701 -0.017 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.438 -0.687 -5.884 1.00 0.00 H new ATOM 136 N VAL A 12 -15.720 6.586 -2.225 1.00 0.00 N ATOM 137 CA VAL A 12 -14.862 7.705 -1.854 1.00 0.00 C ATOM 138 C VAL A 12 -13.870 8.028 -2.965 1.00 0.00 C ATOM 139 O VAL A 12 -13.347 7.130 -3.625 1.00 0.00 O ATOM 140 CB VAL A 12 -14.086 7.410 -0.557 1.00 0.00 C ATOM 141 CG1 VAL A 12 -14.848 7.931 0.652 1.00 0.00 C ATOM 142 CG2 VAL A 12 -13.815 5.919 -0.424 1.00 0.00 C ATOM 0 H VAL A 12 -15.289 5.917 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.513 8.564 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.128 7.927 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.284 7.713 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.985 9.008 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.822 7.445 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.266 5.730 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.761 5.378 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.224 5.579 -1.274 1.00 0.00 H new ATOM 152 N GLU A 13 -13.614 9.316 -3.166 1.00 0.00 N ATOM 153 CA GLU A 13 -12.683 9.758 -4.198 1.00 0.00 C ATOM 154 C GLU A 13 -11.842 10.933 -3.708 1.00 0.00 C ATOM 155 O GLU A 13 -12.081 12.082 -4.082 1.00 0.00 O ATOM 156 CB GLU A 13 -13.444 10.155 -5.466 1.00 0.00 C ATOM 157 CG GLU A 13 -12.542 10.631 -6.593 1.00 0.00 C ATOM 158 CD GLU A 13 -13.318 11.021 -7.836 1.00 0.00 C ATOM 159 OE1 GLU A 13 -14.053 12.029 -7.782 1.00 0.00 O ATOM 160 OE2 GLU A 13 -13.191 10.319 -8.860 1.00 0.00 O ATOM 0 H GLU A 13 -14.038 10.072 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.015 8.928 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.025 9.301 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.154 10.945 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.959 11.486 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.833 9.842 -6.844 1.00 0.00 H new ATOM 167 N THR A 14 -10.857 10.638 -2.865 1.00 0.00 N ATOM 168 CA THR A 14 -9.982 11.668 -2.320 1.00 0.00 C ATOM 169 C THR A 14 -8.517 11.265 -2.441 1.00 0.00 C ATOM 170 O THR A 14 -8.104 10.228 -1.922 1.00 0.00 O ATOM 171 CB THR A 14 -10.304 11.954 -0.842 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.540 13.075 -0.382 1.00 0.00 O ATOM 173 CG2 THR A 14 -10.004 10.739 0.023 1.00 0.00 C ATOM 0 H THR A 14 -10.645 9.693 -2.545 1.00 0.00 H new ATOM 0 HA THR A 14 -10.156 12.572 -2.903 1.00 0.00 H new ATOM 0 HB THR A 14 -11.367 12.182 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.752 13.251 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.239 10.966 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.609 9.896 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.948 10.483 -0.062 1.00 0.00 H new ATOM 181 N ARG A 15 -7.736 12.092 -3.128 1.00 0.00 N ATOM 182 CA ARG A 15 -6.316 11.821 -3.316 1.00 0.00 C ATOM 183 C ARG A 15 -6.075 10.336 -3.574 1.00 0.00 C ATOM 184 O ARG A 15 -6.995 9.601 -3.933 1.00 0.00 O ATOM 185 CB ARG A 15 -5.521 12.271 -2.088 1.00 0.00 C ATOM 186 CG ARG A 15 -5.878 13.670 -1.612 1.00 0.00 C ATOM 187 CD ARG A 15 -5.063 14.730 -2.336 1.00 0.00 C ATOM 188 NE ARG A 15 -5.909 15.774 -2.909 1.00 0.00 N ATOM 189 CZ ARG A 15 -5.541 16.541 -3.929 1.00 0.00 C ATOM 190 NH1 ARG A 15 -4.348 16.381 -4.486 1.00 0.00 N ATOM 191 NH2 ARG A 15 -6.365 17.470 -4.394 1.00 0.00 N ATOM 0 H ARG A 15 -8.062 12.955 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.977 12.384 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.693 11.565 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.457 12.236 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.940 13.851 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.704 13.746 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.353 15.179 -1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.480 14.261 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.833 15.922 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.711 15.668 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.068 16.971 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.283 17.597 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.081 18.058 -5.177 1.00 0.00 H new ATOM 205 N ARG A 16 -4.832 9.903 -3.389 1.00 0.00 N ATOM 206 CA ARG A 16 -4.471 8.507 -3.604 1.00 0.00 C ATOM 207 C ARG A 16 -3.372 8.075 -2.637 1.00 0.00 C ATOM 208 O ARG A 16 -2.209 8.448 -2.795 1.00 0.00 O ATOM 209 CB ARG A 16 -4.008 8.293 -5.047 1.00 0.00 C ATOM 210 CG ARG A 16 -4.525 9.346 -6.014 1.00 0.00 C ATOM 211 CD ARG A 16 -3.780 10.662 -5.856 1.00 0.00 C ATOM 212 NE ARG A 16 -4.678 11.811 -5.922 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.258 13.068 -6.013 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.961 13.336 -6.048 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.138 14.060 -6.070 1.00 0.00 N ATOM 0 H ARG A 16 -4.059 10.498 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.355 7.897 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.918 8.291 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.337 7.310 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.417 8.986 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.590 9.507 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.253 10.668 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.025 10.747 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.683 11.639 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.282 12.576 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.642 14.302 -6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.137 13.857 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.815 15.025 -6.140 1.00 0.00 H new ATOM 229 N VAL A 17 -3.748 7.286 -1.636 1.00 0.00 N ATOM 230 CA VAL A 17 -2.796 6.803 -0.643 1.00 0.00 C ATOM 231 C VAL A 17 -3.089 5.358 -0.258 1.00 0.00 C ATOM 232 O VAL A 17 -4.139 5.055 0.309 1.00 0.00 O ATOM 233 CB VAL A 17 -2.816 7.675 0.626 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.791 7.177 1.633 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.565 9.134 0.274 1.00 0.00 C ATOM 0 H VAL A 17 -4.706 6.967 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.808 6.861 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.803 7.600 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.820 7.806 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.022 6.148 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.796 7.220 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.583 9.736 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.591 9.230 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.341 9.483 -0.407 1.00 0.00 H new ATOM 245 N VAL A 18 -2.153 4.466 -0.571 1.00 0.00 N ATOM 246 CA VAL A 18 -2.309 3.051 -0.256 1.00 0.00 C ATOM 247 C VAL A 18 -1.406 2.643 0.902 1.00 0.00 C ATOM 248 O VAL A 18 -0.188 2.542 0.748 1.00 0.00 O ATOM 249 CB VAL A 18 -1.993 2.167 -1.476 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.795 2.714 -2.237 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.748 0.729 -1.043 1.00 0.00 C ATOM 0 H VAL A 18 -1.279 4.699 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.350 2.903 0.030 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.854 2.180 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.587 2.076 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.013 3.725 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.075 2.734 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.526 0.118 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.904 0.695 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.638 0.342 -0.547 1.00 0.00 H new ATOM 261 N HIS A 19 -2.010 2.408 2.063 1.00 0.00 N ATOM 262 CA HIS A 19 -1.260 2.009 3.248 1.00 0.00 C ATOM 263 C HIS A 19 -0.986 0.507 3.238 1.00 0.00 C ATOM 264 O HIS A 19 -1.894 -0.297 3.021 1.00 0.00 O ATOM 265 CB HIS A 19 -2.026 2.390 4.515 1.00 0.00 C ATOM 266 CG HIS A 19 -1.421 1.840 5.770 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.128 1.625 6.108 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.172 1.437 6.853 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 -0.121 1.104 7.379 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.366 1.000 7.806 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.017 2.487 2.208 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.305 2.535 3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.071 3.477 4.589 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.053 2.033 4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.250 1.473 6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.760 0.825 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.657 0.643 8.716 1.00 0.00 H new ATOM 278 N ILE A 20 0.268 0.137 3.472 1.00 0.00 N ATOM 279 CA ILE A 20 0.659 -1.266 3.489 1.00 0.00 C ATOM 280 C ILE A 20 1.416 -1.610 4.769 1.00 0.00 C ATOM 281 O ILE A 20 2.347 -0.907 5.159 1.00 0.00 O ATOM 282 CB ILE A 20 1.540 -1.621 2.276 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.920 -1.069 0.991 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.724 -3.128 2.177 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.924 -0.413 0.068 1.00 0.00 C ATOM 0 H ILE A 20 1.031 0.790 3.652 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.260 -1.850 3.443 1.00 0.00 H new ATOM 0 HB ILE A 20 2.520 -1.164 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.425 -1.881 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.150 -0.343 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.349 -3.362 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.204 -3.496 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.751 -3.606 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.414 -0.045 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.401 0.421 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.681 -1.141 -0.223 1.00 0.00 H new ATOM 297 N MET A 21 1.009 -2.697 5.415 1.00 0.00 N ATOM 298 CA MET A 21 1.650 -3.137 6.649 1.00 0.00 C ATOM 299 C MET A 21 1.970 -4.627 6.596 1.00 0.00 C ATOM 300 O MET A 21 1.724 -5.287 5.587 1.00 0.00 O ATOM 301 CB MET A 21 0.750 -2.839 7.850 1.00 0.00 C ATOM 302 CG MET A 21 -0.212 -1.686 7.619 1.00 0.00 C ATOM 303 SD MET A 21 -1.904 -2.240 7.328 1.00 0.00 S ATOM 304 CE MET A 21 -2.145 -1.720 5.631 1.00 0.00 C ATOM 0 H MET A 21 0.239 -3.289 5.105 1.00 0.00 H new ATOM 0 HA MET A 21 2.585 -2.587 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.179 -3.734 8.096 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.375 -2.612 8.714 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.194 -1.024 8.485 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.127 -1.101 6.764 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.146 -1.305 5.516 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.406 -0.961 5.375 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.029 -2.577 4.968 1.00 0.00 H new ATOM 314 N ASP A 22 2.518 -5.149 7.686 1.00 0.00 N ATOM 315 CA ASP A 22 2.871 -6.562 7.763 1.00 0.00 C ATOM 316 C ASP A 22 3.941 -6.911 6.735 1.00 0.00 C ATOM 317 O ASP A 22 4.267 -8.083 6.534 1.00 0.00 O ATOM 318 CB ASP A 22 1.632 -7.431 7.545 1.00 0.00 C ATOM 319 CG ASP A 22 0.928 -7.774 8.843 1.00 0.00 C ATOM 320 OD1 ASP A 22 1.050 -6.991 9.808 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.256 -8.826 8.895 1.00 0.00 O ATOM 0 H ASP A 22 2.728 -4.615 8.530 1.00 0.00 H new ATOM 0 HA ASP A 22 3.272 -6.758 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.938 -6.910 6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.922 -8.352 7.039 1.00 0.00 H new ATOM 326 N PHE A 23 4.485 -5.888 6.082 1.00 0.00 N ATOM 327 CA PHE A 23 5.516 -6.088 5.072 1.00 0.00 C ATOM 328 C PHE A 23 6.908 -5.933 5.678 1.00 0.00 C ATOM 329 O PHE A 23 7.160 -5.009 6.450 1.00 0.00 O ATOM 330 CB PHE A 23 5.335 -5.093 3.923 1.00 0.00 C ATOM 331 CG PHE A 23 5.779 -3.699 4.263 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.109 -3.332 4.138 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.866 -2.756 4.707 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.521 -2.049 4.448 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.272 -1.472 5.019 1.00 0.00 C ATOM 336 CZ PHE A 23 6.602 -1.118 4.890 1.00 0.00 C ATOM 0 H PHE A 23 4.228 -4.913 6.235 1.00 0.00 H new ATOM 0 HA PHE A 23 5.418 -7.102 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.897 -5.444 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.284 -5.071 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.833 -4.056 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.826 -3.027 4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.561 -1.775 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.551 -0.746 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.922 -0.116 5.134 1.00 0.00 H new ATOM 346 N GLN A 24 7.807 -6.845 5.323 1.00 0.00 N ATOM 347 CA GLN A 24 9.173 -6.811 5.832 1.00 0.00 C ATOM 348 C GLN A 24 10.100 -6.093 4.858 1.00 0.00 C ATOM 349 O GLN A 24 9.651 -5.528 3.860 1.00 0.00 O ATOM 350 CB GLN A 24 9.681 -8.232 6.084 1.00 0.00 C ATOM 351 CG GLN A 24 8.924 -8.962 7.182 1.00 0.00 C ATOM 352 CD GLN A 24 9.227 -8.416 8.563 1.00 0.00 C ATOM 353 OE1 GLN A 24 8.373 -7.794 9.197 1.00 0.00 O ATOM 354 NE2 GLN A 24 10.446 -8.646 9.037 1.00 0.00 N ATOM 0 H GLN A 24 7.614 -7.617 4.685 1.00 0.00 H new ATOM 0 HA GLN A 24 9.169 -6.261 6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.606 -8.805 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.738 -8.190 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.853 -8.886 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.178 -10.021 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.121 -9.166 8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.707 -8.303 9.961 1.00 0.00 H new ATOM 363 N ARG A 25 11.395 -6.118 5.152 1.00 0.00 N ATOM 364 CA ARG A 25 12.385 -5.468 4.302 1.00 0.00 C ATOM 365 C ARG A 25 13.572 -6.392 4.044 1.00 0.00 C ATOM 366 O ARG A 25 13.671 -7.470 4.628 1.00 0.00 O ATOM 367 CB ARG A 25 12.870 -4.168 4.950 1.00 0.00 C ATOM 368 CG ARG A 25 11.742 -3.277 5.443 1.00 0.00 C ATOM 369 CD ARG A 25 12.077 -1.805 5.261 1.00 0.00 C ATOM 370 NE ARG A 25 12.259 -1.123 6.540 1.00 0.00 N ATOM 371 CZ ARG A 25 13.396 -1.142 7.227 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.445 -1.804 6.761 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.483 -0.498 8.384 1.00 0.00 N ATOM 0 H ARG A 25 11.784 -6.582 5.973 1.00 0.00 H new ATOM 0 HA ARG A 25 11.912 -5.237 3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.523 -4.411 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.471 -3.614 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.826 -3.513 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.550 -3.480 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.986 -1.711 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.279 -1.318 4.701 1.00 0.00 H new ATOM 0 HE ARG A 25 11.470 -0.604 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.381 -2.301 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.317 -1.817 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.677 0.012 8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.356 -0.513 8.911 1.00 0.00 H new ATOM 387 N GLY A 26 14.470 -5.962 3.162 1.00 0.00 N ATOM 388 CA GLY A 26 15.636 -6.763 2.841 1.00 0.00 C ATOM 389 C GLY A 26 16.285 -6.345 1.536 1.00 0.00 C ATOM 390 O GLY A 26 16.961 -5.318 1.471 1.00 0.00 O ATOM 0 H GLY A 26 14.410 -5.073 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.364 -6.680 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.347 -7.812 2.780 1.00 0.00 H new ATOM 394 N LYS A 27 16.081 -7.142 0.494 1.00 0.00 N ATOM 395 CA LYS A 27 16.651 -6.851 -0.817 1.00 0.00 C ATOM 396 C LYS A 27 15.564 -6.438 -1.803 1.00 0.00 C ATOM 397 O LYS A 27 14.611 -7.180 -2.039 1.00 0.00 O ATOM 398 CB LYS A 27 17.402 -8.073 -1.351 1.00 0.00 C ATOM 399 CG LYS A 27 16.534 -9.312 -1.481 1.00 0.00 C ATOM 400 CD LYS A 27 16.563 -9.869 -2.894 1.00 0.00 C ATOM 401 CE LYS A 27 15.943 -11.255 -2.961 1.00 0.00 C ATOM 402 NZ LYS A 27 16.916 -12.318 -2.587 1.00 0.00 N ATOM 0 H LYS A 27 15.524 -7.996 0.531 1.00 0.00 H new ATOM 0 HA LYS A 27 17.350 -6.022 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.824 -7.832 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.238 -8.294 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.879 -10.074 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.508 -9.069 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.025 -9.196 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.593 -9.913 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.082 -11.300 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.574 -11.439 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.454 -13.248 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.726 -12.292 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.249 -12.157 -1.615 1.00 0.00 H new ATOM 416 N ASN A 28 15.715 -5.250 -2.379 1.00 0.00 N ATOM 417 CA ASN A 28 14.746 -4.737 -3.342 1.00 0.00 C ATOM 418 C ASN A 28 13.356 -4.646 -2.718 1.00 0.00 C ATOM 419 O ASN A 28 12.350 -4.899 -3.380 1.00 0.00 O ATOM 420 CB ASN A 28 14.704 -5.635 -4.580 1.00 0.00 C ATOM 421 CG ASN A 28 16.086 -5.922 -5.134 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.893 -6.599 -4.497 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.365 -5.406 -6.325 1.00 0.00 N ATOM 0 H ASN A 28 16.499 -4.624 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 28 15.058 -3.735 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.215 -6.576 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.099 -5.158 -5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.279 -5.565 -6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.665 -4.851 -6.817 1.00 0.00 H new ATOM 430 N LEU A 29 13.310 -4.281 -1.442 1.00 0.00 N ATOM 431 CA LEU A 29 12.045 -4.154 -0.728 1.00 0.00 C ATOM 432 C LEU A 29 11.159 -3.091 -1.372 1.00 0.00 C ATOM 433 O LEU A 29 10.058 -3.385 -1.837 1.00 0.00 O ATOM 434 CB LEU A 29 12.296 -3.804 0.740 1.00 0.00 C ATOM 435 CG LEU A 29 11.071 -3.371 1.546 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.756 -1.905 1.295 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.872 -4.242 1.203 1.00 0.00 C ATOM 0 H LEU A 29 14.134 -4.068 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 29 11.529 -5.113 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.739 -4.671 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.034 -3.003 0.781 1.00 0.00 H new ATOM 0 HG LEU A 29 11.295 -3.496 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.881 -1.616 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.608 -1.294 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.553 -1.753 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.009 -3.919 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.647 -4.149 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.099 -5.282 1.436 1.00 0.00 H new ATOM 449 N ARG A 30 11.650 -1.857 -1.397 1.00 0.00 N ATOM 450 CA ARG A 30 10.904 -0.750 -1.985 1.00 0.00 C ATOM 451 C ARG A 30 10.117 -1.215 -3.206 1.00 0.00 C ATOM 452 O ARG A 30 8.994 -0.765 -3.442 1.00 0.00 O ATOM 453 CB ARG A 30 11.855 0.382 -2.378 1.00 0.00 C ATOM 454 CG ARG A 30 11.163 1.548 -3.064 1.00 0.00 C ATOM 455 CD ARG A 30 12.169 2.540 -3.628 1.00 0.00 C ATOM 456 NE ARG A 30 13.052 1.921 -4.613 1.00 0.00 N ATOM 457 CZ ARG A 30 14.178 1.291 -4.299 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.557 1.197 -3.032 1.00 0.00 N ATOM 459 NH2 ARG A 30 14.929 0.755 -5.253 1.00 0.00 N ATOM 0 H ARG A 30 12.561 -1.598 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 30 10.200 -0.381 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.362 0.746 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.624 -0.014 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.529 1.174 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.510 2.055 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.638 3.373 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.766 2.954 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 30 12.789 1.976 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.983 1.609 -2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.422 0.713 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.642 0.827 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.794 0.271 -5.010 1.00 0.00 H new ATOM 473 N TYR A 31 10.711 -2.115 -3.981 1.00 0.00 N ATOM 474 CA TYR A 31 10.067 -2.638 -5.179 1.00 0.00 C ATOM 475 C TYR A 31 8.927 -3.585 -4.816 1.00 0.00 C ATOM 476 O TYR A 31 7.832 -3.496 -5.371 1.00 0.00 O ATOM 477 CB TYR A 31 11.087 -3.364 -6.058 1.00 0.00 C ATOM 478 CG TYR A 31 10.459 -4.253 -7.107 1.00 0.00 C ATOM 479 CD1 TYR A 31 9.982 -5.517 -6.779 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.343 -3.831 -8.425 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.408 -6.333 -7.735 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.769 -4.640 -9.387 1.00 0.00 C ATOM 483 CZ TYR A 31 9.304 -5.890 -9.036 1.00 0.00 C ATOM 484 OH TYR A 31 8.733 -6.699 -9.992 1.00 0.00 O ATOM 0 H TYR A 31 11.639 -2.498 -3.800 1.00 0.00 H new ATOM 0 HA TYR A 31 9.654 -1.796 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.720 -2.626 -6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.736 -3.968 -5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.061 -5.867 -5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.708 -2.853 -8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.043 -7.313 -7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.685 -4.296 -10.407 1.00 0.00 H new ATOM 0 HH TYR A 31 8.736 -6.237 -10.856 1.00 0.00 H new ATOM 494 N GLN A 32 9.194 -4.490 -3.880 1.00 0.00 N ATOM 495 CA GLN A 32 8.191 -5.453 -3.441 1.00 0.00 C ATOM 496 C GLN A 32 6.862 -4.763 -3.151 1.00 0.00 C ATOM 497 O GLN A 32 5.794 -5.305 -3.436 1.00 0.00 O ATOM 498 CB GLN A 32 8.677 -6.195 -2.195 1.00 0.00 C ATOM 499 CG GLN A 32 10.005 -6.907 -2.390 1.00 0.00 C ATOM 500 CD GLN A 32 9.843 -8.398 -2.609 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.954 -9.028 -2.036 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.704 -8.972 -3.442 1.00 0.00 N ATOM 0 H GLN A 32 10.096 -4.577 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 32 8.037 -6.171 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.772 -5.485 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.923 -6.925 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.523 -6.473 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.635 -6.739 -1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.426 -8.412 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.644 -9.973 -3.628 1.00 0.00 H new ATOM 511 N LEU A 33 6.936 -3.565 -2.582 1.00 0.00 N ATOM 512 CA LEU A 33 5.739 -2.799 -2.253 1.00 0.00 C ATOM 513 C LEU A 33 5.206 -2.067 -3.480 1.00 0.00 C ATOM 514 O LEU A 33 4.001 -2.057 -3.736 1.00 0.00 O ATOM 515 CB LEU A 33 6.042 -1.797 -1.137 1.00 0.00 C ATOM 516 CG LEU A 33 6.643 -2.379 0.143 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.150 -1.266 1.047 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.618 -3.236 0.871 1.00 0.00 C ATOM 0 H LEU A 33 7.812 -3.103 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 33 4.974 -3.496 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.728 -1.045 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.117 -1.281 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 33 7.488 -3.012 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.574 -1.698 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.917 -0.694 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.323 -0.607 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.063 -3.642 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.753 -2.626 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.303 -4.055 0.224 1.00 0.00 H new ATOM 530 N LEU A 34 6.111 -1.456 -4.237 1.00 0.00 N ATOM 531 CA LEU A 34 5.732 -0.721 -5.439 1.00 0.00 C ATOM 532 C LEU A 34 5.183 -1.666 -6.504 1.00 0.00 C ATOM 533 O LEU A 34 4.483 -1.241 -7.422 1.00 0.00 O ATOM 534 CB LEU A 34 6.936 0.044 -5.993 1.00 0.00 C ATOM 535 CG LEU A 34 7.441 1.208 -5.139 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.795 1.685 -5.637 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.435 2.349 -5.144 1.00 0.00 C ATOM 0 H LEU A 34 7.112 -1.455 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 34 4.950 -0.011 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.756 -0.660 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.675 0.429 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 34 7.557 0.859 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.139 2.513 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.513 0.867 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.706 2.018 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.811 3.168 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.286 2.699 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.486 1.999 -4.739 1.00 0.00 H new ATOM 549 N GLN A 35 5.504 -2.950 -6.372 1.00 0.00 N ATOM 550 CA GLN A 35 5.041 -3.954 -7.321 1.00 0.00 C ATOM 551 C GLN A 35 3.570 -4.284 -7.090 1.00 0.00 C ATOM 552 O GLN A 35 2.930 -4.929 -7.922 1.00 0.00 O ATOM 553 CB GLN A 35 5.886 -5.224 -7.205 1.00 0.00 C ATOM 554 CG GLN A 35 5.442 -6.150 -6.085 1.00 0.00 C ATOM 555 CD GLN A 35 4.734 -7.389 -6.598 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.692 -7.785 -6.074 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.299 -8.009 -7.627 1.00 0.00 N ATOM 0 H GLN A 35 6.083 -3.318 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 35 5.149 -3.545 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.845 -5.765 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.927 -4.944 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.312 -6.449 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.777 -5.608 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.163 -7.645 -8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.869 -8.849 -8.015 1.00 0.00 H new ATOM 566 N LEU A 36 3.040 -3.839 -5.956 1.00 0.00 N ATOM 567 CA LEU A 36 1.644 -4.089 -5.615 1.00 0.00 C ATOM 568 C LEU A 36 0.732 -3.050 -6.260 1.00 0.00 C ATOM 569 O LEU A 36 -0.481 -3.239 -6.341 1.00 0.00 O ATOM 570 CB LEU A 36 1.459 -4.073 -4.097 1.00 0.00 C ATOM 571 CG LEU A 36 2.422 -4.950 -3.294 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.295 -4.659 -1.807 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.163 -6.422 -3.575 1.00 0.00 C ATOM 0 H LEU A 36 3.556 -3.304 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 36 1.372 -5.073 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.560 -3.045 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.440 -4.387 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 36 3.440 -4.715 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.987 -5.292 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.531 -3.612 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.275 -4.865 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.857 -7.031 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.140 -6.671 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.306 -6.620 -4.637 1.00 0.00 H new ATOM 585 N VAL A 37 1.326 -1.952 -6.719 1.00 0.00 N ATOM 586 CA VAL A 37 0.568 -0.884 -7.360 1.00 0.00 C ATOM 587 C VAL A 37 1.112 -0.583 -8.752 1.00 0.00 C ATOM 588 O VAL A 37 0.403 -0.050 -9.604 1.00 0.00 O ATOM 589 CB VAL A 37 0.594 0.406 -6.520 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.163 0.121 -5.089 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.979 1.034 -6.553 1.00 0.00 C ATOM 0 H VAL A 37 2.329 -1.779 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.461 -1.233 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.112 1.115 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.188 1.045 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.850 -0.281 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.842 -0.605 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.980 1.945 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.707 0.332 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.244 1.276 -7.582 1.00 0.00 H new ATOM 601 N GLU A 38 2.376 -0.930 -8.974 1.00 0.00 N ATOM 602 CA GLU A 38 3.017 -0.695 -10.263 1.00 0.00 C ATOM 603 C GLU A 38 2.099 -1.111 -11.410 1.00 0.00 C ATOM 604 O GLU A 38 1.710 -0.301 -12.252 1.00 0.00 O ATOM 605 CB GLU A 38 4.338 -1.463 -10.349 1.00 0.00 C ATOM 606 CG GLU A 38 5.558 -0.565 -10.466 1.00 0.00 C ATOM 607 CD GLU A 38 6.264 -0.711 -11.800 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.911 -1.757 -12.017 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.170 0.221 -12.626 1.00 0.00 O ATOM 0 H GLU A 38 2.976 -1.374 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 38 3.220 0.372 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.442 -2.090 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.305 -2.131 -11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.255 0.473 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.256 -0.800 -9.662 1.00 0.00 H new ATOM 616 N PRO A 39 1.746 -2.404 -11.446 1.00 0.00 N ATOM 617 CA PRO A 39 0.870 -2.957 -12.483 1.00 0.00 C ATOM 618 C PRO A 39 -0.567 -2.466 -12.350 1.00 0.00 C ATOM 619 O PRO A 39 -1.443 -2.862 -13.121 1.00 0.00 O ATOM 620 CB PRO A 39 0.944 -4.467 -12.242 1.00 0.00 C ATOM 621 CG PRO A 39 1.295 -4.603 -10.800 1.00 0.00 C ATOM 622 CD PRO A 39 2.173 -3.426 -10.474 1.00 0.00 C ATOM 0 HA PRO A 39 1.182 -2.656 -13.483 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.007 -4.951 -12.465 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.696 -4.933 -12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.399 -4.605 -10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.816 -5.542 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.029 -3.089 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.230 -3.670 -10.585 1.00 0.00 H new ATOM 630 N PHE A 40 -0.804 -1.601 -11.370 1.00 0.00 N ATOM 631 CA PHE A 40 -2.137 -1.055 -11.137 1.00 0.00 C ATOM 632 C PHE A 40 -2.215 0.400 -11.588 1.00 0.00 C ATOM 633 O PHE A 40 -3.301 0.936 -11.806 1.00 0.00 O ATOM 634 CB PHE A 40 -2.503 -1.163 -9.656 1.00 0.00 C ATOM 635 CG PHE A 40 -2.760 -2.572 -9.202 1.00 0.00 C ATOM 636 CD1 PHE A 40 -4.021 -3.134 -9.325 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.742 -3.335 -8.653 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.263 -4.430 -8.910 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.978 -4.631 -8.237 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.239 -5.179 -8.364 1.00 0.00 C ATOM 0 H PHE A 40 -0.091 -1.263 -10.724 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.849 -1.637 -11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.696 -0.739 -9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.391 -0.561 -9.465 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.825 -2.552 -9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.754 -2.912 -8.549 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.250 -4.856 -9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.176 -5.216 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.424 -6.191 -8.037 1.00 0.00 H new ATOM 650 N GLY A 41 -1.055 1.034 -11.723 1.00 0.00 N ATOM 651 CA GLY A 41 -1.014 2.422 -12.147 1.00 0.00 C ATOM 652 C GLY A 41 0.392 2.990 -12.137 1.00 0.00 C ATOM 653 O GLY A 41 1.369 2.249 -12.243 1.00 0.00 O ATOM 0 H GLY A 41 -0.143 0.612 -11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.429 2.504 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.648 3.018 -11.491 1.00 0.00 H new ATOM 657 N VAL A 42 0.495 4.309 -12.009 1.00 0.00 N ATOM 658 CA VAL A 42 1.792 4.976 -11.986 1.00 0.00 C ATOM 659 C VAL A 42 2.184 5.366 -10.566 1.00 0.00 C ATOM 660 O VAL A 42 1.329 5.697 -9.744 1.00 0.00 O ATOM 661 CB VAL A 42 1.790 6.236 -12.872 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.466 6.973 -12.749 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.953 7.146 -12.505 1.00 0.00 C ATOM 0 H VAL A 42 -0.304 4.937 -11.920 1.00 0.00 H new ATOM 0 HA VAL A 42 2.521 4.266 -12.378 1.00 0.00 H new ATOM 0 HB VAL A 42 1.912 5.929 -13.911 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.483 7.860 -13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.346 6.318 -13.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.310 7.270 -11.712 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.937 8.031 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.864 7.447 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.892 6.612 -12.650 1.00 0.00 H new ATOM 673 N ILE A 43 3.482 5.326 -10.285 1.00 0.00 N ATOM 674 CA ILE A 43 3.987 5.678 -8.963 1.00 0.00 C ATOM 675 C ILE A 43 4.323 7.163 -8.881 1.00 0.00 C ATOM 676 O ILE A 43 5.306 7.621 -9.462 1.00 0.00 O ATOM 677 CB ILE A 43 5.242 4.859 -8.605 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.120 3.434 -9.149 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.448 4.840 -7.097 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.080 2.600 -8.433 1.00 0.00 C ATOM 0 H ILE A 43 4.202 5.054 -10.954 1.00 0.00 H new ATOM 0 HA ILE A 43 3.196 5.447 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 43 6.110 5.330 -9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.871 3.479 -10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.088 2.939 -9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.338 4.258 -6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.574 5.860 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.580 4.388 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.049 1.603 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.339 2.524 -7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.103 3.072 -8.534 1.00 0.00 H new ATOM 692 N SER A 44 3.501 7.910 -8.151 1.00 0.00 N ATOM 693 CA SER A 44 3.709 9.345 -7.992 1.00 0.00 C ATOM 694 C SER A 44 4.733 9.627 -6.897 1.00 0.00 C ATOM 695 O SER A 44 5.646 10.431 -7.081 1.00 0.00 O ATOM 696 CB SER A 44 2.386 10.039 -7.661 1.00 0.00 C ATOM 697 OG SER A 44 1.925 10.807 -8.759 1.00 0.00 O ATOM 0 H SER A 44 2.685 7.545 -7.660 1.00 0.00 H new ATOM 0 HA SER A 44 4.092 9.739 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.637 9.293 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.517 10.683 -6.792 1.00 0.00 H new ATOM 0 HG SER A 44 1.169 11.362 -8.475 1.00 0.00 H new ATOM 703 N ASN A 45 4.573 8.959 -5.760 1.00 0.00 N ATOM 704 CA ASN A 45 5.484 9.138 -4.634 1.00 0.00 C ATOM 705 C ASN A 45 5.130 8.191 -3.493 1.00 0.00 C ATOM 706 O ASN A 45 3.980 8.130 -3.055 1.00 0.00 O ATOM 707 CB ASN A 45 5.440 10.586 -4.142 1.00 0.00 C ATOM 708 CG ASN A 45 6.414 11.479 -4.886 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.626 11.272 -4.836 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.886 12.481 -5.580 1.00 0.00 N ATOM 0 H ASN A 45 3.822 8.289 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 45 6.493 8.907 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.429 10.977 -4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.668 10.612 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.492 13.116 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.875 12.615 -5.593 1.00 0.00 H new ATOM 717 N HIS A 46 6.125 7.450 -3.015 1.00 0.00 N ATOM 718 CA HIS A 46 5.920 6.506 -1.923 1.00 0.00 C ATOM 719 C HIS A 46 6.675 6.948 -0.673 1.00 0.00 C ATOM 720 O HIS A 46 7.508 7.854 -0.725 1.00 0.00 O ATOM 721 CB HIS A 46 6.375 5.107 -2.339 1.00 0.00 C ATOM 722 CG HIS A 46 7.840 5.017 -2.638 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.440 5.700 -3.674 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.828 4.321 -2.027 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.732 5.426 -3.691 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.993 4.591 -2.700 1.00 0.00 N ATOM 0 H HIS A 46 7.082 7.485 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 46 4.855 6.481 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.131 4.403 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.813 4.798 -3.221 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.961 6.321 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.719 3.674 -1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.452 5.817 -4.394 1.00 0.00 H new ATOM 734 N LEU A 47 6.377 6.304 0.450 1.00 0.00 N ATOM 735 CA LEU A 47 7.026 6.631 1.715 1.00 0.00 C ATOM 736 C LEU A 47 7.229 5.380 2.563 1.00 0.00 C ATOM 737 O LEU A 47 6.280 4.646 2.842 1.00 0.00 O ATOM 738 CB LEU A 47 6.194 7.655 2.488 1.00 0.00 C ATOM 739 CG LEU A 47 6.667 7.970 3.909 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.011 9.243 4.420 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.368 6.803 4.840 1.00 0.00 C ATOM 0 H LEU A 47 5.690 5.552 0.511 1.00 0.00 H new ATOM 0 HA LEU A 47 8.003 7.059 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.177 8.584 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.167 7.294 2.540 1.00 0.00 H new ATOM 0 HG LEU A 47 7.746 8.126 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.359 9.451 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.274 10.075 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.928 9.117 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.711 7.043 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.294 6.617 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.885 5.912 4.484 1.00 0.00 H new ATOM 753 N ILE A 48 8.471 5.143 2.972 1.00 0.00 N ATOM 754 CA ILE A 48 8.797 3.982 3.791 1.00 0.00 C ATOM 755 C ILE A 48 9.556 4.392 5.048 1.00 0.00 C ATOM 756 O ILE A 48 10.641 4.970 4.971 1.00 0.00 O ATOM 757 CB ILE A 48 9.640 2.958 3.007 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.321 3.040 1.514 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.388 1.552 3.531 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.955 1.935 0.697 1.00 0.00 C ATOM 0 H ILE A 48 9.268 5.740 2.750 1.00 0.00 H new ATOM 0 HA ILE A 48 7.851 3.520 4.074 1.00 0.00 H new ATOM 0 HB ILE A 48 10.695 3.194 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.240 3.005 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.659 4.003 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.991 0.840 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.660 1.503 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.333 1.305 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.685 2.057 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.039 1.982 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.598 0.969 1.053 1.00 0.00 H new ATOM 772 N LEU A 49 8.980 4.088 6.206 1.00 0.00 N ATOM 773 CA LEU A 49 9.603 4.423 7.482 1.00 0.00 C ATOM 774 C LEU A 49 10.587 3.338 7.909 1.00 0.00 C ATOM 775 O LEU A 49 10.434 2.171 7.549 1.00 0.00 O ATOM 776 CB LEU A 49 8.534 4.610 8.559 1.00 0.00 C ATOM 777 CG LEU A 49 7.300 5.413 8.148 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.221 5.318 9.216 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.670 6.866 7.890 1.00 0.00 C ATOM 0 H LEU A 49 8.083 3.610 6.288 1.00 0.00 H new ATOM 0 HA LEU A 49 10.152 5.356 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.207 3.625 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.993 5.101 9.417 1.00 0.00 H new ATOM 0 HG LEU A 49 6.907 4.990 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.350 5.896 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.935 4.275 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.604 5.715 10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.779 7.422 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.089 7.301 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.408 6.917 7.089 1.00 0.00 H new ATOM 791 N ASN A 50 11.596 3.731 8.680 1.00 0.00 N ATOM 792 CA ASN A 50 12.604 2.792 9.158 1.00 0.00 C ATOM 793 C ASN A 50 12.338 2.400 10.608 1.00 0.00 C ATOM 794 O ASN A 50 13.072 1.602 11.192 1.00 0.00 O ATOM 795 CB ASN A 50 14.001 3.403 9.031 1.00 0.00 C ATOM 796 CG ASN A 50 14.880 2.639 8.060 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.387 2.006 7.125 1.00 0.00 O ATOM 798 ND2 ASN A 50 16.189 2.695 8.278 1.00 0.00 N ATOM 0 H ASN A 50 11.737 4.693 8.987 1.00 0.00 H new ATOM 0 HA ASN A 50 12.550 1.894 8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.913 4.438 8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.477 3.421 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.831 2.201 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.552 3.232 9.065 1.00 0.00 H new ATOM 805 N LYS A 51 11.282 2.965 11.184 1.00 0.00 N ATOM 806 CA LYS A 51 10.917 2.673 12.565 1.00 0.00 C ATOM 807 C LYS A 51 10.075 1.404 12.649 1.00 0.00 C ATOM 808 O LYS A 51 10.326 0.537 13.487 1.00 0.00 O ATOM 809 CB LYS A 51 10.145 3.850 13.168 1.00 0.00 C ATOM 810 CG LYS A 51 10.943 5.141 13.212 1.00 0.00 C ATOM 811 CD LYS A 51 10.783 5.940 11.930 1.00 0.00 C ATOM 812 CE LYS A 51 10.203 7.321 12.202 1.00 0.00 C ATOM 813 NZ LYS A 51 10.210 8.175 10.982 1.00 0.00 N ATOM 0 H LYS A 51 10.664 3.628 10.716 1.00 0.00 H new ATOM 0 HA LYS A 51 11.835 2.517 13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.237 4.014 12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.834 3.590 14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.616 5.743 14.060 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.997 4.913 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.751 6.041 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.132 5.400 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.182 7.220 12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.778 7.808 12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.807 9.107 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.187 8.292 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.640 7.723 10.239 1.00 0.00 H new ATOM 827 N ILE A 52 9.078 1.301 11.777 1.00 0.00 N ATOM 828 CA ILE A 52 8.202 0.136 11.751 1.00 0.00 C ATOM 829 C ILE A 52 7.986 -0.358 10.325 1.00 0.00 C ATOM 830 O ILE A 52 8.634 0.111 9.390 1.00 0.00 O ATOM 831 CB ILE A 52 6.835 0.446 12.388 1.00 0.00 C ATOM 832 CG1 ILE A 52 5.956 1.225 11.409 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.018 1.227 13.681 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.581 2.518 10.932 1.00 0.00 C ATOM 0 H ILE A 52 8.856 2.011 11.079 1.00 0.00 H new ATOM 0 HA ILE A 52 8.696 -0.643 12.331 1.00 0.00 H new ATOM 0 HB ILE A 52 6.338 -0.496 12.622 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.741 0.595 10.546 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.002 1.447 11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.043 1.439 14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.610 0.638 14.381 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.532 2.165 13.470 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.902 3.017 10.241 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.771 3.167 11.787 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.521 2.302 10.424 1.00 0.00 H new ATOM 846 N ASN A 53 7.069 -1.307 10.166 1.00 0.00 N ATOM 847 CA ASN A 53 6.766 -1.864 8.853 1.00 0.00 C ATOM 848 C ASN A 53 5.546 -1.182 8.242 1.00 0.00 C ATOM 849 O ASN A 53 4.606 -1.845 7.803 1.00 0.00 O ATOM 850 CB ASN A 53 6.521 -3.370 8.960 1.00 0.00 C ATOM 851 CG ASN A 53 7.797 -4.146 9.222 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.888 -3.710 8.855 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.665 -5.305 9.859 1.00 0.00 N ATOM 0 H ASN A 53 6.523 -1.706 10.930 1.00 0.00 H new ATOM 0 HA ASN A 53 7.623 -1.687 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.810 -3.564 9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.065 -3.728 8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.488 -5.872 10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.740 -5.627 10.145 1.00 0.00 H new ATOM 860 N GLU A 54 5.569 0.147 8.216 1.00 0.00 N ATOM 861 CA GLU A 54 4.465 0.919 7.657 1.00 0.00 C ATOM 862 C GLU A 54 4.921 1.721 6.442 1.00 0.00 C ATOM 863 O GLU A 54 5.913 2.444 6.500 1.00 0.00 O ATOM 864 CB GLU A 54 3.885 1.861 8.715 1.00 0.00 C ATOM 865 CG GLU A 54 2.955 1.173 9.700 1.00 0.00 C ATOM 866 CD GLU A 54 1.999 2.138 10.373 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.667 3.170 9.753 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.584 1.862 11.517 1.00 0.00 O ATOM 0 H GLU A 54 6.339 0.711 8.575 1.00 0.00 H new ATOM 0 HA GLU A 54 3.691 0.220 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.704 2.324 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.342 2.664 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.383 0.406 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.549 0.666 10.461 1.00 0.00 H new ATOM 875 N ALA A 55 4.187 1.584 5.341 1.00 0.00 N ATOM 876 CA ALA A 55 4.515 2.296 4.112 1.00 0.00 C ATOM 877 C ALA A 55 3.262 2.878 3.465 1.00 0.00 C ATOM 878 O ALA A 55 2.150 2.415 3.716 1.00 0.00 O ATOM 879 CB ALA A 55 5.231 1.370 3.140 1.00 0.00 C ATOM 0 H ALA A 55 3.362 0.987 5.276 1.00 0.00 H new ATOM 0 HA ALA A 55 5.180 3.122 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.470 1.915 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.151 1.005 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.586 0.525 2.900 1.00 0.00 H new ATOM 885 N PHE A 56 3.453 3.896 2.632 1.00 0.00 N ATOM 886 CA PHE A 56 2.337 4.543 1.949 1.00 0.00 C ATOM 887 C PHE A 56 2.734 4.961 0.536 1.00 0.00 C ATOM 888 O PHE A 56 3.625 5.791 0.351 1.00 0.00 O ATOM 889 CB PHE A 56 1.866 5.764 2.742 1.00 0.00 C ATOM 890 CG PHE A 56 1.703 5.499 4.211 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.574 4.856 4.692 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.681 5.891 5.112 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.422 4.611 6.043 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.534 5.649 6.464 1.00 0.00 C ATOM 895 CZ PHE A 56 1.404 5.007 6.931 1.00 0.00 C ATOM 0 H PHE A 56 4.368 4.290 2.414 1.00 0.00 H new ATOM 0 HA PHE A 56 1.519 3.826 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.582 6.575 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.915 6.106 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.196 4.543 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.568 6.391 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.464 4.110 6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.302 5.962 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.288 4.815 7.987 1.00 0.00 H new ATOM 905 N ILE A 57 2.066 4.381 -0.455 1.00 0.00 N ATOM 906 CA ILE A 57 2.347 4.694 -1.851 1.00 0.00 C ATOM 907 C ILE A 57 1.272 5.602 -2.438 1.00 0.00 C ATOM 908 O ILE A 57 0.082 5.298 -2.365 1.00 0.00 O ATOM 909 CB ILE A 57 2.447 3.416 -2.705 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.725 2.646 -2.363 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.412 3.764 -4.185 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.614 1.157 -2.602 1.00 0.00 C ATOM 0 H ILE A 57 1.327 3.692 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 57 3.306 5.211 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 57 1.591 2.779 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.548 3.041 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.976 2.820 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.484 2.851 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.477 4.274 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.251 4.418 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.556 0.675 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.813 0.748 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.394 0.973 -3.653 1.00 0.00 H new ATOM 924 N GLU A 58 1.702 6.717 -3.021 1.00 0.00 N ATOM 925 CA GLU A 58 0.775 7.669 -3.623 1.00 0.00 C ATOM 926 C GLU A 58 0.710 7.484 -5.136 1.00 0.00 C ATOM 927 O GLU A 58 1.706 7.658 -5.837 1.00 0.00 O ATOM 928 CB GLU A 58 1.196 9.102 -3.291 1.00 0.00 C ATOM 929 CG GLU A 58 0.173 10.147 -3.703 1.00 0.00 C ATOM 930 CD GLU A 58 0.686 11.565 -3.535 1.00 0.00 C ATOM 931 OE1 GLU A 58 0.732 12.045 -2.383 1.00 0.00 O ATOM 932 OE2 GLU A 58 1.042 12.193 -4.554 1.00 0.00 O ATOM 0 H GLU A 58 2.684 6.983 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.216 7.483 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.372 9.181 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.143 9.318 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.105 9.986 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.731 10.019 -3.108 1.00 0.00 H new ATOM 939 N MET A 59 -0.470 7.127 -5.632 1.00 0.00 N ATOM 940 CA MET A 59 -0.666 6.919 -7.061 1.00 0.00 C ATOM 941 C MET A 59 -1.064 8.220 -7.752 1.00 0.00 C ATOM 942 O MET A 59 -1.652 9.107 -7.134 1.00 0.00 O ATOM 943 CB MET A 59 -1.738 5.853 -7.301 1.00 0.00 C ATOM 944 CG MET A 59 -1.483 4.556 -6.550 1.00 0.00 C ATOM 945 SD MET A 59 0.003 3.705 -7.117 1.00 0.00 S ATOM 946 CE MET A 59 -0.587 2.973 -8.641 1.00 0.00 C ATOM 0 H MET A 59 -1.304 6.976 -5.065 1.00 0.00 H new ATOM 0 HA MET A 59 0.278 6.578 -7.485 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.708 6.251 -7.003 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.795 5.640 -8.369 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.391 4.769 -5.485 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.343 3.897 -6.670 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.225 2.426 -9.120 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.406 2.288 -8.422 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.939 3.759 -9.309 1.00 0.00 H new ATOM 956 N ALA A 60 -0.736 8.327 -9.036 1.00 0.00 N ATOM 957 CA ALA A 60 -1.061 9.519 -9.810 1.00 0.00 C ATOM 958 C ALA A 60 -2.570 9.714 -9.911 1.00 0.00 C ATOM 959 O ALA A 60 -3.052 10.830 -10.107 1.00 0.00 O ATOM 960 CB ALA A 60 -0.444 9.432 -11.197 1.00 0.00 C ATOM 0 H ALA A 60 -0.246 7.603 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.644 10.383 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.695 10.329 -11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.639 9.350 -11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.834 8.555 -11.714 1.00 0.00 H new ATOM 966 N THR A 61 -3.314 8.620 -9.777 1.00 0.00 N ATOM 967 CA THR A 61 -4.769 8.670 -9.855 1.00 0.00 C ATOM 968 C THR A 61 -5.406 7.711 -8.857 1.00 0.00 C ATOM 969 O THR A 61 -5.002 6.553 -8.746 1.00 0.00 O ATOM 970 CB THR A 61 -5.267 8.325 -11.271 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.848 7.004 -11.630 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.739 9.324 -12.289 1.00 0.00 C ATOM 0 H THR A 61 -2.932 7.688 -9.614 1.00 0.00 H new ATOM 0 HA THR A 61 -5.064 9.691 -9.612 1.00 0.00 H new ATOM 0 HB THR A 61 -6.356 8.372 -11.270 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.893 6.899 -11.435 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.104 9.060 -13.281 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.085 10.325 -12.030 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.649 9.305 -12.286 1.00 0.00 H new ATOM 980 N THR A 62 -6.406 8.200 -8.130 1.00 0.00 N ATOM 981 CA THR A 62 -7.100 7.386 -7.138 1.00 0.00 C ATOM 982 C THR A 62 -7.636 6.102 -7.761 1.00 0.00 C ATOM 983 O THR A 62 -7.882 5.120 -7.062 1.00 0.00 O ATOM 984 CB THR A 62 -8.268 8.158 -6.496 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.073 7.268 -5.716 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.127 8.825 -7.561 1.00 0.00 C ATOM 0 H THR A 62 -6.754 9.156 -8.209 1.00 0.00 H new ATOM 0 HA THR A 62 -6.372 7.137 -6.366 1.00 0.00 H new ATOM 0 HB THR A 62 -7.852 8.931 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.107 7.585 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.945 9.364 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.518 9.524 -8.135 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.534 8.065 -8.229 1.00 0.00 H new ATOM 994 N GLU A 63 -7.812 6.116 -9.078 1.00 0.00 N ATOM 995 CA GLU A 63 -8.320 4.951 -9.793 1.00 0.00 C ATOM 996 C GLU A 63 -7.334 3.788 -9.706 1.00 0.00 C ATOM 997 O GLU A 63 -7.722 2.624 -9.808 1.00 0.00 O ATOM 998 CB GLU A 63 -8.586 5.300 -11.259 1.00 0.00 C ATOM 999 CG GLU A 63 -9.607 6.409 -11.445 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.668 6.912 -12.874 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.463 6.361 -13.663 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -8.922 7.858 -13.202 1.00 0.00 O ATOM 0 H GLU A 63 -7.611 6.921 -9.672 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.256 4.648 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.649 5.598 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.933 4.407 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.591 6.045 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.362 7.239 -10.782 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.060 4.113 -9.518 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.019 3.098 -9.417 1.00 0.00 C ATOM 1011 C ASP A 64 -4.935 2.545 -7.998 1.00 0.00 C ATOM 1012 O ASP A 64 -5.103 1.346 -7.777 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.667 3.679 -9.832 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.723 4.371 -11.180 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.730 4.191 -11.896 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.760 5.090 -11.519 1.00 0.00 O ATOM 0 H ASP A 64 -5.723 5.072 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.276 2.281 -10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.333 4.389 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.927 2.880 -9.868 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.674 3.427 -7.039 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.569 3.028 -5.641 1.00 0.00 C ATOM 1023 C ALA A 65 -5.759 2.171 -5.224 1.00 0.00 C ATOM 1024 O ALA A 65 -5.590 1.080 -4.682 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.459 4.255 -4.748 1.00 0.00 C ATOM 0 H ALA A 65 -4.531 4.423 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.666 2.428 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.381 3.942 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.572 4.826 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.345 4.878 -4.874 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.963 2.674 -5.479 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.182 1.956 -5.128 1.00 0.00 C ATOM 1033 C GLN A 66 -8.185 0.559 -5.741 1.00 0.00 C ATOM 1034 O GLN A 66 -8.587 -0.411 -5.099 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.412 2.734 -5.596 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.683 3.989 -4.783 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.122 4.455 -4.892 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.052 3.649 -4.856 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.312 5.763 -5.026 1.00 0.00 N ATOM 0 H GLN A 66 -7.120 3.576 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.216 1.858 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.281 3.010 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.285 2.083 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.445 3.798 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.020 4.786 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.512 6.395 -5.051 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.258 6.136 -5.104 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.736 0.464 -6.988 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.685 -0.813 -7.687 1.00 0.00 C ATOM 1050 C ALA A 67 -6.707 -1.770 -7.014 1.00 0.00 C ATOM 1051 O ALA A 67 -7.008 -2.949 -6.825 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.302 -0.603 -9.146 1.00 0.00 C ATOM 0 H ALA A 67 -7.402 1.257 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.678 -1.261 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.268 -1.566 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.042 0.036 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.322 -0.129 -9.200 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.536 -1.256 -6.656 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.514 -2.064 -6.002 1.00 0.00 C ATOM 1060 C ALA A 68 -5.076 -2.772 -4.774 1.00 0.00 C ATOM 1061 O ALA A 68 -4.636 -3.865 -4.419 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.323 -1.199 -5.616 1.00 0.00 C ATOM 0 H ALA A 68 -5.271 -0.283 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.182 -2.825 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.568 -1.816 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.898 -0.745 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.649 -0.416 -4.931 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.052 -2.141 -4.128 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.675 -2.711 -2.939 1.00 0.00 C ATOM 1070 C VAL A 69 -7.688 -3.788 -3.312 1.00 0.00 C ATOM 1071 O VAL A 69 -7.777 -4.825 -2.656 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.380 -1.628 -2.101 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.322 -2.263 -1.090 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.356 -0.743 -1.405 1.00 0.00 C ATOM 0 H VAL A 69 -6.428 -1.235 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.876 -3.157 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.972 -1.004 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.811 -1.482 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.076 -2.850 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.755 -2.912 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.871 0.017 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.736 -1.352 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.726 -0.259 -2.151 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.451 -3.533 -4.370 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.457 -4.482 -4.832 1.00 0.00 C ATOM 1086 C ASP A 70 -8.817 -5.817 -5.198 1.00 0.00 C ATOM 1087 O ASP A 70 -9.508 -6.822 -5.370 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.207 -3.915 -6.038 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.712 -4.047 -5.898 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.316 -3.218 -5.187 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.284 -4.981 -6.499 1.00 0.00 O ATOM 0 H ASP A 70 -8.392 -2.678 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.164 -4.649 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.947 -2.864 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.882 -4.433 -6.941 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.495 -5.821 -5.318 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.761 -7.032 -5.668 1.00 0.00 C ATOM 1098 C TYR A 71 -6.335 -7.792 -4.415 1.00 0.00 C ATOM 1099 O TYR A 71 -6.028 -8.983 -4.472 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.533 -6.685 -6.510 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.452 -7.741 -6.468 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.488 -8.835 -7.324 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.395 -7.647 -5.572 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.503 -9.804 -7.289 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.405 -8.609 -5.530 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.463 -9.686 -6.391 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.480 -10.647 -6.352 1.00 0.00 O ATOM 0 H TYR A 71 -6.908 -4.999 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.423 -7.671 -6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.843 -6.535 -7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.119 -5.739 -6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.300 -8.930 -8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.346 -6.806 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.548 -10.648 -7.961 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.590 -8.519 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.821 -10.413 -5.665 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.320 -7.094 -3.285 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.930 -7.701 -2.018 1.00 0.00 C ATOM 1119 C TYR A 72 -7.129 -8.354 -1.335 1.00 0.00 C ATOM 1120 O TYR A 72 -6.972 -9.182 -0.437 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.312 -6.650 -1.094 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.605 -6.884 0.371 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.797 -7.717 1.136 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.688 -6.275 0.990 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.060 -7.935 2.474 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.958 -6.484 2.328 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.142 -7.316 3.066 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.408 -7.530 4.399 1.00 0.00 O ATOM 0 H TYR A 72 -6.573 -6.108 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.189 -8.473 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.232 -6.638 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.684 -5.665 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.949 -8.202 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.331 -5.626 0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.423 -8.586 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.803 -5.999 2.794 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.203 -7.020 4.660 1.00 0.00 H new ATOM 1138 N THR A 73 -8.327 -7.972 -1.767 1.00 0.00 N ATOM 1139 CA THR A 73 -9.553 -8.517 -1.197 1.00 0.00 C ATOM 1140 C THR A 73 -9.940 -9.826 -1.878 1.00 0.00 C ATOM 1141 O THR A 73 -10.547 -10.703 -1.263 1.00 0.00 O ATOM 1142 CB THR A 73 -10.722 -7.522 -1.322 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.877 -8.036 -0.650 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.054 -7.256 -2.781 1.00 0.00 C ATOM 0 H THR A 73 -8.474 -7.288 -2.509 1.00 0.00 H new ATOM 0 HA THR A 73 -9.356 -8.703 -0.141 1.00 0.00 H new ATOM 0 HB THR A 73 -10.421 -6.583 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.615 -7.397 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.883 -6.550 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.182 -6.836 -3.282 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.336 -8.190 -3.266 1.00 0.00 H new ATOM 1152 N THR A 74 -9.586 -9.951 -3.154 1.00 0.00 N ATOM 1153 CA THR A 74 -9.897 -11.152 -3.919 1.00 0.00 C ATOM 1154 C THR A 74 -8.689 -12.077 -4.004 1.00 0.00 C ATOM 1155 O THR A 74 -8.833 -13.297 -4.107 1.00 0.00 O ATOM 1156 CB THR A 74 -10.365 -10.804 -5.345 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.432 -9.912 -5.963 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.745 -10.164 -5.320 1.00 0.00 C ATOM 0 H THR A 74 -9.084 -9.235 -3.679 1.00 0.00 H new ATOM 0 HA THR A 74 -10.705 -11.661 -3.394 1.00 0.00 H new ATOM 0 HB THR A 74 -10.420 -11.728 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.587 -9.000 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.055 -9.927 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.459 -10.857 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.711 -9.249 -4.729 1.00 0.00 H new ATOM 1166 N THR A 75 -7.497 -11.492 -3.961 1.00 0.00 N ATOM 1167 CA THR A 75 -6.263 -12.264 -4.033 1.00 0.00 C ATOM 1168 C THR A 75 -5.328 -11.917 -2.881 1.00 0.00 C ATOM 1169 O THR A 75 -5.169 -10.755 -2.507 1.00 0.00 O ATOM 1170 CB THR A 75 -5.527 -12.024 -5.365 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.364 -12.403 -6.463 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.228 -12.813 -5.416 1.00 0.00 C ATOM 0 H THR A 75 -7.360 -10.485 -3.877 1.00 0.00 H new ATOM 0 HA THR A 75 -6.544 -13.315 -3.965 1.00 0.00 H new ATOM 0 HB THR A 75 -5.292 -10.962 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.889 -12.246 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.727 -12.627 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.580 -12.501 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.445 -13.877 -5.322 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.694 -12.948 -2.301 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.761 -12.776 -1.182 1.00 0.00 C ATOM 1182 C PRO A 76 -2.468 -12.090 -1.606 1.00 0.00 C ATOM 1183 O PRO A 76 -1.765 -12.565 -2.497 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.483 -14.211 -0.730 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.732 -15.045 -1.939 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.836 -14.359 -2.695 1.00 0.00 C ATOM 0 HA PRO A 76 -4.175 -12.141 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.458 -14.323 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.137 -14.501 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.833 -15.126 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.021 -16.059 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.726 -14.488 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.815 -14.755 -2.424 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.159 -10.970 -0.960 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.948 -10.220 -1.268 1.00 0.00 C ATOM 1196 C ALA A 77 0.235 -10.725 -0.449 1.00 0.00 C ATOM 1197 O ALA A 77 0.473 -10.261 0.667 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.169 -8.735 -1.020 1.00 0.00 C ATOM 0 H ALA A 77 -2.731 -10.562 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.716 -10.370 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.256 -8.187 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.980 -8.377 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.429 -8.576 0.026 1.00 0.00 H new ATOM 1204 N LEU A 78 0.972 -11.678 -1.007 1.00 0.00 N ATOM 1205 CA LEU A 78 2.130 -12.248 -0.327 1.00 0.00 C ATOM 1206 C LEU A 78 3.399 -11.475 -0.673 1.00 0.00 C ATOM 1207 O LEU A 78 3.891 -11.539 -1.800 1.00 0.00 O ATOM 1208 CB LEU A 78 2.296 -13.719 -0.708 1.00 0.00 C ATOM 1209 CG LEU A 78 1.212 -14.671 -0.199 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.593 -16.116 -0.482 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.974 -14.461 1.289 1.00 0.00 C ATOM 0 H LEU A 78 0.789 -12.073 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 78 1.963 -12.174 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.333 -13.790 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.260 -14.064 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 78 0.285 -14.452 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.810 -16.778 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.711 -16.257 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.532 -16.350 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.200 -15.146 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.897 -14.652 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.654 -13.434 1.465 1.00 0.00 H new ATOM 1223 N VAL A 79 3.926 -10.745 0.305 1.00 0.00 N ATOM 1224 CA VAL A 79 5.139 -9.962 0.105 1.00 0.00 C ATOM 1225 C VAL A 79 6.357 -10.679 0.677 1.00 0.00 C ATOM 1226 O VAL A 79 6.385 -11.035 1.855 1.00 0.00 O ATOM 1227 CB VAL A 79 5.024 -8.571 0.757 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.338 -7.813 0.636 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.884 -7.781 0.131 1.00 0.00 C ATOM 0 H VAL A 79 3.532 -10.680 1.243 1.00 0.00 H new ATOM 0 HA VAL A 79 5.263 -9.842 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 79 4.805 -8.703 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.237 -6.833 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.128 -8.373 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.591 -7.689 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.818 -6.801 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.070 -7.657 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.947 -8.318 0.276 1.00 0.00 H new ATOM 1239 N PHE A 80 7.363 -10.889 -0.166 1.00 0.00 N ATOM 1240 CA PHE A 80 8.584 -11.565 0.256 1.00 0.00 C ATOM 1241 C PHE A 80 8.310 -13.029 0.584 1.00 0.00 C ATOM 1242 O PHE A 80 9.199 -13.756 1.027 1.00 0.00 O ATOM 1243 CB PHE A 80 9.189 -10.862 1.472 1.00 0.00 C ATOM 1244 CG PHE A 80 10.365 -9.992 1.139 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.452 -10.507 0.450 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.387 -8.658 1.514 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.537 -9.708 0.142 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.469 -7.854 1.208 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.545 -8.380 0.520 1.00 0.00 C ATOM 0 H PHE A 80 7.357 -10.601 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 80 9.295 -11.523 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.421 -10.253 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.498 -11.613 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.451 -11.545 0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.548 -8.241 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.378 -10.122 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.473 -6.816 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.391 -7.754 0.278 1.00 0.00 H new ATOM 1259 N GLY A 81 7.069 -13.456 0.366 1.00 0.00 N ATOM 1260 CA GLY A 81 6.698 -14.831 0.644 1.00 0.00 C ATOM 1261 C GLY A 81 5.745 -14.948 1.817 1.00 0.00 C ATOM 1262 O GLY A 81 5.280 -16.040 2.144 1.00 0.00 O ATOM 0 H GLY A 81 6.315 -12.874 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.234 -15.265 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.597 -15.412 0.851 1.00 0.00 H new ATOM 1266 N LYS A 82 5.454 -13.819 2.456 1.00 0.00 N ATOM 1267 CA LYS A 82 4.551 -13.798 3.601 1.00 0.00 C ATOM 1268 C LYS A 82 3.362 -12.879 3.338 1.00 0.00 C ATOM 1269 O LYS A 82 3.440 -11.931 2.557 1.00 0.00 O ATOM 1270 CB LYS A 82 5.297 -13.340 4.856 1.00 0.00 C ATOM 1271 CG LYS A 82 5.976 -11.990 4.701 1.00 0.00 C ATOM 1272 CD LYS A 82 7.441 -12.143 4.328 1.00 0.00 C ATOM 1273 CE LYS A 82 8.223 -10.867 4.601 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.690 -11.072 4.454 1.00 0.00 N ATOM 0 H LYS A 82 5.831 -12.906 2.200 1.00 0.00 H new ATOM 0 HA LYS A 82 4.178 -14.810 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.595 -13.291 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.047 -14.087 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.463 -11.409 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.893 -11.431 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.877 -12.966 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.523 -12.403 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.895 -10.086 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.005 -10.516 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.136 -11.075 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.868 -11.982 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.093 -10.302 3.882 1.00 0.00 H new ATOM 1288 N PRO A 83 2.235 -13.163 4.006 1.00 0.00 N ATOM 1289 CA PRO A 83 1.009 -12.372 3.864 1.00 0.00 C ATOM 1290 C PRO A 83 1.140 -10.983 4.479 1.00 0.00 C ATOM 1291 O PRO A 83 1.848 -10.796 5.469 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.035 -13.197 4.621 1.00 0.00 C ATOM 1293 CG PRO A 83 0.750 -13.985 5.612 1.00 0.00 C ATOM 1294 CD PRO A 83 2.071 -14.278 4.955 1.00 0.00 C ATOM 0 HA PRO A 83 0.756 -12.196 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.765 -12.555 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.589 -13.849 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.890 -13.423 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.232 -14.907 5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.883 -14.310 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.061 -15.241 4.445 1.00 0.00 H new ATOM 1302 N VAL A 84 0.453 -10.012 3.888 1.00 0.00 N ATOM 1303 CA VAL A 84 0.490 -8.639 4.380 1.00 0.00 C ATOM 1304 C VAL A 84 -0.890 -7.996 4.322 1.00 0.00 C ATOM 1305 O VAL A 84 -1.877 -8.649 3.983 1.00 0.00 O ATOM 1306 CB VAL A 84 1.479 -7.781 3.569 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.891 -8.331 3.694 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.053 -7.710 2.111 1.00 0.00 C ATOM 0 H VAL A 84 -0.137 -10.150 3.067 1.00 0.00 H new ATOM 0 HA VAL A 84 0.822 -8.683 5.417 1.00 0.00 H new ATOM 0 HB VAL A 84 1.472 -6.769 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.575 -7.712 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.193 -8.323 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.918 -9.353 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.764 -7.100 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.029 -8.715 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.061 -7.264 2.043 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.953 -6.711 4.656 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.214 -5.979 4.642 1.00 0.00 C ATOM 1320 C ARG A 85 -2.164 -4.829 3.640 1.00 0.00 C ATOM 1321 O ARG A 85 -1.119 -4.210 3.440 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.529 -5.440 6.039 1.00 0.00 C ATOM 1323 CG ARG A 85 -2.988 -6.510 7.016 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.872 -5.926 8.106 1.00 0.00 C ATOM 1325 NE ARG A 85 -5.151 -6.625 8.205 1.00 0.00 N ATOM 1326 CZ ARG A 85 -5.265 -7.907 8.534 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.182 -8.627 8.792 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -6.464 -8.471 8.604 1.00 0.00 N ATOM 0 H ARG A 85 -0.146 -6.156 4.939 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.003 -6.667 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.641 -4.952 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.303 -4.677 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.535 -7.285 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.119 -6.989 7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.353 -5.982 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.050 -4.870 7.902 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.004 -6.100 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.259 -8.197 8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.272 -9.611 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.299 -7.920 8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.551 -9.455 8.857 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.302 -4.549 3.012 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.388 -3.473 2.032 1.00 0.00 C ATOM 1344 C VAL A 86 -4.670 -2.669 2.211 1.00 0.00 C ATOM 1345 O VAL A 86 -5.771 -3.175 1.990 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.335 -4.020 0.593 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.515 -2.894 -0.413 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.026 -4.757 0.351 1.00 0.00 C ATOM 0 H VAL A 86 -4.176 -5.052 3.164 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.529 -2.823 2.198 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.154 -4.727 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.475 -3.299 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.480 -2.414 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.719 -2.160 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.006 -5.137 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.190 -4.073 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.943 -5.590 1.049 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.522 -1.410 2.612 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.669 -0.533 2.819 1.00 0.00 C ATOM 1360 C HIS A 87 -5.493 0.780 2.063 1.00 0.00 C ATOM 1361 O HIS A 87 -4.371 1.192 1.765 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.860 -0.254 4.311 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.240 -1.466 5.104 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.980 -1.596 6.452 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.866 -2.606 4.732 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -6.428 -2.765 6.873 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.970 -3.398 5.850 1.00 0.00 N ATOM 0 H HIS A 87 -3.619 -0.974 2.800 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.555 -1.037 2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.936 0.160 4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.631 0.507 4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.219 -2.849 3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.362 -3.139 7.884 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.396 -4.324 5.884 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.608 1.432 1.753 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.579 2.699 1.029 1.00 0.00 C ATOM 1377 C LEU A 88 -6.809 3.872 1.975 1.00 0.00 C ATOM 1378 O LEU A 88 -7.949 4.248 2.248 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.638 2.702 -0.075 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.220 3.333 -1.403 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.208 4.851 -1.293 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -5.854 2.817 -1.833 1.00 0.00 C ATOM 0 H LEU A 88 -7.544 1.104 1.992 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.593 2.809 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.940 1.672 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.518 3.229 0.294 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.949 3.050 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.908 5.283 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.205 5.205 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.502 5.154 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.573 3.277 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.114 3.069 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.895 1.734 -1.954 1.00 0.00 H new ATOM 1394 N SER A 89 -5.719 4.447 2.472 1.00 0.00 N ATOM 1395 CA SER A 89 -5.803 5.579 3.390 1.00 0.00 C ATOM 1396 C SER A 89 -6.479 6.771 2.722 1.00 0.00 C ATOM 1397 O SER A 89 -7.060 6.645 1.645 1.00 0.00 O ATOM 1398 CB SER A 89 -4.406 5.974 3.874 1.00 0.00 C ATOM 1399 OG SER A 89 -4.202 5.581 5.220 1.00 0.00 O ATOM 0 H SER A 89 -4.768 4.149 2.255 1.00 0.00 H new ATOM 0 HA SER A 89 -6.405 5.277 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.653 5.509 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.278 7.053 3.784 1.00 0.00 H new ATOM 0 HG SER A 89 -3.302 5.843 5.504 1.00 0.00 H new ATOM 1405 N GLN A 90 -6.397 7.929 3.370 1.00 0.00 N ATOM 1406 CA GLN A 90 -7.002 9.145 2.839 1.00 0.00 C ATOM 1407 C GLN A 90 -6.391 10.384 3.487 1.00 0.00 C ATOM 1408 O GLN A 90 -7.100 11.323 3.846 1.00 0.00 O ATOM 1409 CB GLN A 90 -8.514 9.129 3.067 1.00 0.00 C ATOM 1410 CG GLN A 90 -8.908 9.140 4.536 1.00 0.00 C ATOM 1411 CD GLN A 90 -9.896 10.241 4.868 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -11.104 10.078 4.703 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -9.384 11.372 5.338 1.00 0.00 N ATOM 0 H GLN A 90 -5.918 8.051 4.262 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.804 9.182 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.957 9.995 2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.935 8.242 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.343 8.176 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.014 9.263 5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.375 11.464 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.999 12.149 5.578 1.00 0.00 H new ATOM 1422 N LYS A 91 -5.070 10.379 3.632 1.00 0.00 N ATOM 1423 CA LYS A 91 -4.362 11.501 4.235 1.00 0.00 C ATOM 1424 C LYS A 91 -2.855 11.269 4.215 1.00 0.00 C ATOM 1425 O LYS A 91 -2.321 10.521 5.035 1.00 0.00 O ATOM 1426 CB LYS A 91 -4.837 11.717 5.674 1.00 0.00 C ATOM 1427 CG LYS A 91 -3.883 12.553 6.510 1.00 0.00 C ATOM 1428 CD LYS A 91 -3.238 11.729 7.611 1.00 0.00 C ATOM 1429 CE LYS A 91 -2.005 12.420 8.175 1.00 0.00 C ATOM 1430 NZ LYS A 91 -2.296 13.112 9.462 1.00 0.00 N ATOM 0 H LYS A 91 -4.468 9.609 3.340 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.582 12.393 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.813 12.203 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.972 10.747 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.109 12.974 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.423 13.391 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.959 11.560 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.961 10.750 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.215 11.685 8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.631 13.143 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.431 13.570 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.032 13.831 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.629 12.418 10.162 1.00 0.00 H new ATOM 1444 N TYR A 92 -2.174 11.913 3.275 1.00 0.00 N ATOM 1445 CA TYR A 92 -0.728 11.775 3.148 1.00 0.00 C ATOM 1446 C TYR A 92 -0.227 12.438 1.868 1.00 0.00 C ATOM 1447 O TYR A 92 0.139 11.763 0.907 1.00 0.00 O ATOM 1448 CB TYR A 92 -0.333 10.298 3.158 1.00 0.00 C ATOM 1449 CG TYR A 92 0.343 9.860 4.437 1.00 0.00 C ATOM 1450 CD1 TYR A 92 1.604 10.333 4.777 1.00 0.00 C ATOM 1451 CD2 TYR A 92 -0.279 8.972 5.306 1.00 0.00 C ATOM 1452 CE1 TYR A 92 2.226 9.936 5.945 1.00 0.00 C ATOM 1453 CE2 TYR A 92 0.334 8.571 6.477 1.00 0.00 C ATOM 1454 CZ TYR A 92 1.587 9.054 6.791 1.00 0.00 C ATOM 1455 OH TYR A 92 2.202 8.656 7.956 1.00 0.00 O ATOM 0 H TYR A 92 -2.600 12.536 2.589 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.265 12.274 3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.225 9.691 3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.335 10.104 2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.107 11.024 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.259 8.589 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 92 3.207 10.314 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.165 7.883 7.143 1.00 0.00 H new ATOM 0 HH TYR A 92 2.454 7.712 7.887 1.00 0.00 H new ATOM 1465 N LYS A 93 -0.215 13.767 1.864 1.00 0.00 N ATOM 1466 CA LYS A 93 0.242 14.525 0.706 1.00 0.00 C ATOM 1467 C LYS A 93 1.737 14.813 0.798 1.00 0.00 C ATOM 1468 O LYS A 93 2.449 14.770 -0.206 1.00 0.00 O ATOM 1469 CB LYS A 93 -0.534 15.840 0.592 1.00 0.00 C ATOM 1470 CG LYS A 93 -1.219 16.028 -0.751 1.00 0.00 C ATOM 1471 CD LYS A 93 -0.880 17.377 -1.364 1.00 0.00 C ATOM 1472 CE LYS A 93 -1.948 18.414 -1.055 1.00 0.00 C ATOM 1473 NZ LYS A 93 -1.354 19.706 -0.614 1.00 0.00 N ATOM 0 H LYS A 93 -0.517 14.341 2.651 1.00 0.00 H new ATOM 0 HA LYS A 93 0.060 13.923 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.284 15.879 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.150 16.672 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.915 15.232 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.299 15.945 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.082 17.719 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.776 17.271 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.561 18.580 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.609 18.034 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.114 20.387 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.790 19.553 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.743 20.082 -1.367 1.00 0.00 H new ATOM 1487 N ARG A 94 2.206 15.102 2.007 1.00 0.00 N ATOM 1488 CA ARG A 94 3.617 15.395 2.230 1.00 0.00 C ATOM 1489 C ARG A 94 4.501 14.311 1.619 1.00 0.00 C ATOM 1490 O ARG A 94 5.278 14.574 0.701 1.00 0.00 O ATOM 1491 CB ARG A 94 3.905 15.519 3.727 1.00 0.00 C ATOM 1492 CG ARG A 94 5.356 15.837 4.045 1.00 0.00 C ATOM 1493 CD ARG A 94 5.606 17.337 4.065 1.00 0.00 C ATOM 1494 NE ARG A 94 6.376 17.747 5.237 1.00 0.00 N ATOM 1495 CZ ARG A 94 5.994 17.511 6.487 1.00 0.00 C ATOM 1496 NH1 ARG A 94 4.858 16.869 6.726 1.00 0.00 N ATOM 1497 NH2 ARG A 94 6.748 17.915 7.500 1.00 0.00 N ATOM 0 H ARG A 94 1.630 15.140 2.848 1.00 0.00 H new ATOM 0 HA ARG A 94 3.846 16.343 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.271 16.300 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.630 14.586 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.620 15.410 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.003 15.369 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.140 17.628 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.652 17.864 4.055 1.00 0.00 H new ATOM 0 HE ARG A 94 7.255 18.242 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.276 16.556 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.566 16.689 7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.623 18.408 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.453 17.733 8.459 1.00 0.00 H new ATOM 1511 N ILE A 95 4.375 13.094 2.136 1.00 0.00 N ATOM 1512 CA ILE A 95 5.161 11.969 1.642 1.00 0.00 C ATOM 1513 C ILE A 95 6.653 12.208 1.853 1.00 0.00 C ATOM 1514 O ILE A 95 7.164 13.295 1.586 1.00 0.00 O ATOM 1515 CB ILE A 95 4.900 11.715 0.145 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.421 11.406 -0.091 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.773 10.575 -0.358 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.083 9.937 0.036 1.00 0.00 C ATOM 0 H ILE A 95 3.737 12.861 2.897 1.00 0.00 H new ATOM 0 HA ILE A 95 4.851 11.092 2.210 1.00 0.00 H new ATOM 0 HB ILE A 95 5.156 12.616 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.822 11.971 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.141 11.750 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.578 10.407 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.823 10.832 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.545 9.668 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.018 9.792 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.656 9.367 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.332 9.592 1.040 1.00 0.00 H new ATOM 1530 N LYS A 96 7.347 11.182 2.332 1.00 0.00 N ATOM 1531 CA LYS A 96 8.782 11.276 2.577 1.00 0.00 C ATOM 1532 C LYS A 96 9.088 12.353 3.613 1.00 0.00 C ATOM 1533 O LYS A 96 8.400 13.372 3.685 1.00 0.00 O ATOM 1534 CB LYS A 96 9.523 11.583 1.275 1.00 0.00 C ATOM 1535 CG LYS A 96 10.486 10.486 0.850 1.00 0.00 C ATOM 1536 CD LYS A 96 11.878 10.718 1.412 1.00 0.00 C ATOM 1537 CE LYS A 96 12.624 9.408 1.611 1.00 0.00 C ATOM 1538 NZ LYS A 96 13.736 9.546 2.592 1.00 0.00 N ATOM 0 H LYS A 96 6.939 10.275 2.559 1.00 0.00 H new ATOM 0 HA LYS A 96 9.122 10.316 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.794 11.743 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.076 12.515 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.112 9.520 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.534 10.444 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.442 11.360 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.804 11.244 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.928 8.643 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.023 9.069 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.220 8.632 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.413 10.258 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.353 9.845 3.511 1.00 0.00 H new ATOM 1552 N SER A 97 10.124 12.121 4.414 1.00 0.00 N ATOM 1553 CA SER A 97 10.519 13.071 5.447 1.00 0.00 C ATOM 1554 C SER A 97 12.025 13.311 5.417 1.00 0.00 C ATOM 1555 O SER A 97 12.815 12.368 5.388 1.00 0.00 O ATOM 1556 CB SER A 97 10.099 12.559 6.827 1.00 0.00 C ATOM 1557 OG SER A 97 8.758 12.915 7.116 1.00 0.00 O ATOM 0 H SER A 97 10.704 11.284 4.367 1.00 0.00 H new ATOM 0 HA SER A 97 10.015 14.017 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.207 11.475 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.761 12.972 7.589 1.00 0.00 H new ATOM 0 HG SER A 97 8.513 12.575 8.002 1.00 0.00 H new ATOM 1563 N GLY A 98 12.416 14.581 5.425 1.00 0.00 N ATOM 1564 CA GLY A 98 13.826 14.925 5.399 1.00 0.00 C ATOM 1565 C GLY A 98 14.533 14.572 6.692 1.00 0.00 C ATOM 1566 O GLY A 98 14.082 13.720 7.458 1.00 0.00 O ATOM 0 H GLY A 98 11.781 15.379 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.308 14.405 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.933 15.993 5.210 1.00 0.00 H new ATOM 1570 N PRO A 99 15.669 15.236 6.951 1.00 0.00 N ATOM 1571 CA PRO A 99 16.465 15.004 8.160 1.00 0.00 C ATOM 1572 C PRO A 99 15.768 15.510 9.418 1.00 0.00 C ATOM 1573 O PRO A 99 15.093 16.540 9.394 1.00 0.00 O ATOM 1574 CB PRO A 99 17.746 15.801 7.900 1.00 0.00 C ATOM 1575 CG PRO A 99 17.340 16.867 6.943 1.00 0.00 C ATOM 1576 CD PRO A 99 16.264 16.265 6.081 1.00 0.00 C ATOM 0 HA PRO A 99 16.637 13.942 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.142 16.226 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.528 15.168 7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.970 17.745 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.187 17.192 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.528 17.010 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.675 15.832 5.169 1.00 0.00 H new ATOM 1584 N SER A 100 15.936 14.782 10.517 1.00 0.00 N ATOM 1585 CA SER A 100 15.321 15.156 11.784 1.00 0.00 C ATOM 1586 C SER A 100 15.985 16.400 12.364 1.00 0.00 C ATOM 1587 O SER A 100 17.202 16.560 12.287 1.00 0.00 O ATOM 1588 CB SER A 100 15.416 14.001 12.782 1.00 0.00 C ATOM 1589 OG SER A 100 14.508 14.177 13.856 1.00 0.00 O ATOM 0 H SER A 100 16.494 13.929 10.555 1.00 0.00 H new ATOM 0 HA SER A 100 14.271 15.380 11.597 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.205 13.060 12.274 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.433 13.934 13.169 1.00 0.00 H new ATOM 0 HG SER A 100 14.588 13.424 14.478 1.00 0.00 H new ATOM 1595 N SER A 101 15.175 17.280 12.945 1.00 0.00 N ATOM 1596 CA SER A 101 15.682 18.513 13.536 1.00 0.00 C ATOM 1597 C SER A 101 15.579 18.469 15.057 1.00 0.00 C ATOM 1598 O SER A 101 15.224 19.459 15.695 1.00 0.00 O ATOM 1599 CB SER A 101 14.909 19.717 12.996 1.00 0.00 C ATOM 1600 OG SER A 101 13.521 19.588 13.251 1.00 0.00 O ATOM 0 H SER A 101 14.165 17.162 13.019 1.00 0.00 H new ATOM 0 HA SER A 101 16.733 18.612 13.263 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.283 20.630 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.078 19.810 11.923 1.00 0.00 H new ATOM 0 HG SER A 101 13.049 20.371 12.898 1.00 0.00 H new ATOM 1606 N GLY A 102 15.892 17.312 15.632 1.00 0.00 N ATOM 1607 CA GLY A 102 15.829 17.159 17.074 1.00 0.00 C ATOM 1608 C GLY A 102 17.154 16.724 17.669 1.00 0.00 C ATOM 1609 O GLY A 102 17.359 15.542 17.947 1.00 0.00 O ATOM 0 H GLY A 102 16.188 16.478 15.125 1.00 0.00 H new ATOM 0 HA2 GLY A 102 15.525 18.104 17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 102 15.063 16.425 17.325 1.00 0.00 H new TER 1613 GLY A 102