USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 17 ASN : amide:sc= -0.0559 K(o=-0.11,f=-3.9!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -0.0502 K(o=-0.11,f=-0.64) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.193 (180deg=-0.811) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.78) USER MOD Single : A 21 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0161 (180deg=-0.173) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 64:sc= 0.348 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0775 (180deg=-0.331) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0602 (180deg=-0.283) USER MOD Single : A 47 CYS SG : rot 180:sc= -3.15! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -101:sc= 1.26 USER MOD Single : A 58 MET CE :methyl 159:sc= -0.309 (180deg=-1.19) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.311 X(o=0.31,f=-0.11) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.727) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.102 -28.331 -5.741 1.00 0.00 N ATOM 2 CA MET A 1 0.557 -27.853 -4.508 1.00 0.00 C ATOM 3 C MET A 1 0.436 -26.340 -4.414 1.00 0.00 C ATOM 4 O MET A 1 0.952 -25.608 -5.255 1.00 0.00 O ATOM 5 CB MET A 1 2.033 -28.259 -4.499 1.00 0.00 C ATOM 6 CG MET A 1 2.765 -27.847 -3.235 1.00 0.00 C ATOM 7 SD MET A 1 4.442 -28.493 -3.153 1.00 0.00 S ATOM 8 CE MET A 1 4.128 -30.253 -3.076 1.00 0.00 C ATOM 0 H1 MET A 1 -0.017 -29.366 -5.801 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.108 -28.067 -5.722 1.00 0.00 H new ATOM 0 H3 MET A 1 0.354 -27.897 -6.569 1.00 0.00 H new ATOM 0 HA MET A 1 0.065 -28.308 -3.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.105 -29.340 -4.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.530 -27.812 -5.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.797 -26.759 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.205 -28.195 -2.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.004 -30.762 -2.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.270 -30.442 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.919 -30.629 -4.077 1.00 0.00 H new ATOM 20 N THR A 2 -0.247 -25.877 -3.386 1.00 0.00 N ATOM 21 CA THR A 2 -0.493 -24.457 -3.215 1.00 0.00 C ATOM 22 C THR A 2 0.662 -23.805 -2.470 1.00 0.00 C ATOM 23 O THR A 2 0.859 -24.037 -1.265 1.00 0.00 O ATOM 24 CB THR A 2 -1.808 -24.235 -2.447 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.807 -25.119 -2.972 1.00 0.00 O ATOM 26 CG2 THR A 2 -2.274 -22.797 -2.584 1.00 0.00 C ATOM 0 H THR A 2 -0.643 -26.465 -2.653 1.00 0.00 H new ATOM 0 HA THR A 2 -0.577 -23.998 -4.200 1.00 0.00 H new ATOM 0 HB THR A 2 -1.643 -24.441 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.649 -24.986 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.205 -22.662 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.514 -22.128 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.438 -22.566 -3.637 1.00 0.00 H new ATOM 34 N SER A 3 1.437 -23.008 -3.166 1.00 0.00 N ATOM 35 CA SER A 3 2.571 -22.313 -2.566 1.00 0.00 C ATOM 36 C SER A 3 2.666 -20.886 -3.097 1.00 0.00 C ATOM 37 O SER A 3 3.730 -20.253 -3.013 1.00 0.00 O ATOM 38 CB SER A 3 3.864 -23.075 -2.855 1.00 0.00 C ATOM 39 OG SER A 3 3.791 -24.399 -2.352 1.00 0.00 O ATOM 0 H SER A 3 1.308 -22.818 -4.160 1.00 0.00 H new ATOM 0 HA SER A 3 2.422 -22.268 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.045 -23.099 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.707 -22.555 -2.401 1.00 0.00 H new ATOM 0 HG SER A 3 4.627 -24.870 -2.549 1.00 0.00 H new ATOM 45 N VAL A 4 1.562 -20.374 -3.640 1.00 0.00 N ATOM 46 CA VAL A 4 1.534 -19.014 -4.151 1.00 0.00 C ATOM 47 C VAL A 4 1.693 -18.010 -3.029 1.00 0.00 C ATOM 48 O VAL A 4 2.445 -17.038 -3.161 1.00 0.00 O ATOM 49 CB VAL A 4 0.233 -18.741 -4.964 1.00 0.00 C ATOM 50 CG1 VAL A 4 -1.012 -18.940 -4.117 1.00 0.00 C ATOM 51 CG2 VAL A 4 0.257 -17.346 -5.577 1.00 0.00 C ATOM 0 H VAL A 4 0.682 -20.881 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 4 2.379 -18.898 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 4 0.196 -19.470 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.898 -18.740 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.044 -19.967 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.988 -18.256 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.662 -17.180 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.337 -16.602 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.113 -17.257 -6.246 1.00 0.00 H new ATOM 61 N PHE A 5 1.012 -18.255 -1.905 1.00 0.00 N ATOM 62 CA PHE A 5 1.023 -17.381 -0.740 1.00 0.00 C ATOM 63 C PHE A 5 0.455 -15.996 -1.074 1.00 0.00 C ATOM 64 O PHE A 5 -0.638 -15.644 -0.627 1.00 0.00 O ATOM 65 CB PHE A 5 2.446 -17.244 -0.176 1.00 0.00 C ATOM 66 CG PHE A 5 2.531 -16.336 1.022 1.00 0.00 C ATOM 67 CD1 PHE A 5 1.989 -16.724 2.234 1.00 0.00 C ATOM 68 CD2 PHE A 5 3.146 -15.093 0.932 1.00 0.00 C ATOM 69 CE1 PHE A 5 2.063 -15.889 3.341 1.00 0.00 C ATOM 70 CE2 PHE A 5 3.223 -14.251 2.028 1.00 0.00 C ATOM 71 CZ PHE A 5 2.678 -14.652 3.233 1.00 0.00 C ATOM 0 H PHE A 5 0.429 -19.083 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 5 0.385 -17.837 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.816 -18.232 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.103 -16.864 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.504 -17.685 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.571 -14.778 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.642 -16.203 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.705 -13.288 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.732 -14.000 4.092 1.00 0.00 H new ATOM 81 N ASP A 6 1.185 -15.225 -1.853 1.00 0.00 N ATOM 82 CA ASP A 6 0.780 -13.872 -2.207 1.00 0.00 C ATOM 83 C ASP A 6 0.176 -13.842 -3.610 1.00 0.00 C ATOM 84 O ASP A 6 0.877 -13.975 -4.611 1.00 0.00 O ATOM 85 CB ASP A 6 1.996 -12.921 -2.122 1.00 0.00 C ATOM 86 CG ASP A 6 1.679 -11.502 -2.564 1.00 0.00 C ATOM 87 OD1 ASP A 6 0.499 -11.114 -2.601 1.00 0.00 O ATOM 88 OD2 ASP A 6 2.632 -10.754 -2.873 1.00 0.00 O ATOM 0 H ASP A 6 2.075 -15.514 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 6 0.019 -13.537 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.363 -12.901 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.802 -13.316 -2.741 1.00 0.00 H new ATOM 93 N ARG A 7 -1.146 -13.715 -3.667 1.00 0.00 N ATOM 94 CA ARG A 7 -1.865 -13.600 -4.922 1.00 0.00 C ATOM 95 C ARG A 7 -2.582 -12.252 -4.935 1.00 0.00 C ATOM 96 O ARG A 7 -3.309 -11.921 -5.866 1.00 0.00 O ATOM 97 CB ARG A 7 -2.860 -14.756 -5.044 1.00 0.00 C ATOM 98 CG ARG A 7 -3.506 -14.908 -6.428 1.00 0.00 C ATOM 99 CD ARG A 7 -2.486 -15.298 -7.482 1.00 0.00 C ATOM 100 NE ARG A 7 -3.122 -15.501 -8.796 1.00 0.00 N ATOM 101 CZ ARG A 7 -2.450 -15.587 -9.950 1.00 0.00 C ATOM 102 NH1 ARG A 7 -1.130 -15.503 -9.973 1.00 0.00 N ATOM 103 NH2 ARG A 7 -3.107 -15.769 -11.098 1.00 0.00 N ATOM 0 H ARG A 7 -1.745 -13.689 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.183 -13.653 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.348 -15.685 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.648 -14.617 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.290 -15.664 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.983 -13.970 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.726 -14.521 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.977 -16.212 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.138 -15.581 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.612 -15.371 -9.104 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.630 -15.570 -10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.124 -15.843 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.592 -15.834 -11.976 1.00 0.00 H new ATOM 117 N ASP A 8 -2.360 -11.492 -3.867 1.00 0.00 N ATOM 118 CA ASP A 8 -3.027 -10.210 -3.675 1.00 0.00 C ATOM 119 C ASP A 8 -2.156 -9.063 -4.182 1.00 0.00 C ATOM 120 O ASP A 8 -1.145 -8.722 -3.564 1.00 0.00 O ATOM 121 CB ASP A 8 -3.351 -10.014 -2.182 1.00 0.00 C ATOM 122 CG ASP A 8 -3.803 -8.594 -1.864 1.00 0.00 C ATOM 123 OD1 ASP A 8 -4.979 -8.246 -2.097 1.00 0.00 O ATOM 124 OD2 ASP A 8 -2.954 -7.813 -1.365 1.00 0.00 O ATOM 0 H ASP A 8 -1.718 -11.745 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.954 -10.209 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.132 -10.715 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.469 -10.253 -1.588 1.00 0.00 H new ATOM 129 N ASP A 9 -2.543 -8.489 -5.314 1.00 0.00 N ATOM 130 CA ASP A 9 -1.801 -7.398 -5.913 1.00 0.00 C ATOM 131 C ASP A 9 -2.551 -6.078 -5.770 1.00 0.00 C ATOM 132 O ASP A 9 -3.605 -5.892 -6.376 1.00 0.00 O ATOM 133 CB ASP A 9 -1.500 -7.669 -7.378 1.00 0.00 C ATOM 134 CG ASP A 9 -0.655 -6.594 -8.002 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.581 -6.587 -7.776 1.00 0.00 O ATOM 136 OD2 ASP A 9 -1.195 -5.743 -8.733 1.00 0.00 O ATOM 0 H ASP A 9 -3.374 -8.767 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.855 -7.321 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.988 -8.627 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.437 -7.755 -7.928 1.00 0.00 H new ATOM 141 N ILE A 10 -2.001 -5.191 -4.967 1.00 0.00 N ATOM 142 CA ILE A 10 -2.600 -3.901 -4.699 1.00 0.00 C ATOM 143 C ILE A 10 -1.707 -3.100 -3.742 1.00 0.00 C ATOM 144 O ILE A 10 -1.156 -3.645 -2.773 1.00 0.00 O ATOM 145 CB ILE A 10 -4.014 -4.031 -4.110 1.00 0.00 C ATOM 146 CG1 ILE A 10 -4.672 -2.657 -3.965 1.00 0.00 C ATOM 147 CG2 ILE A 10 -3.988 -4.761 -2.783 1.00 0.00 C ATOM 148 CD1 ILE A 10 -6.089 -2.708 -3.422 1.00 0.00 C ATOM 0 H ILE A 10 -1.119 -5.347 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.688 -3.376 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.612 -4.622 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.062 -2.041 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.684 -2.166 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.002 -4.838 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.577 -5.760 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.366 -4.210 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.487 -1.696 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.715 -3.296 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.084 -3.169 -2.434 1.00 0.00 H new ATOM 160 N GLN A 11 -1.537 -1.817 -4.037 1.00 0.00 N ATOM 161 CA GLN A 11 -0.658 -0.978 -3.239 1.00 0.00 C ATOM 162 C GLN A 11 -1.466 -0.030 -2.339 1.00 0.00 C ATOM 163 O GLN A 11 -2.494 0.516 -2.747 1.00 0.00 O ATOM 164 CB GLN A 11 0.277 -0.170 -4.143 1.00 0.00 C ATOM 165 CG GLN A 11 1.356 -1.015 -4.790 1.00 0.00 C ATOM 166 CD GLN A 11 2.279 -0.215 -5.689 1.00 0.00 C ATOM 167 OE1 GLN A 11 2.501 1.043 -5.351 1.00 0.00 O flip ATOM 168 NE2 GLN A 11 2.799 -0.735 -6.685 1.00 0.00 N flip ATOM 0 H GLN A 11 -1.992 -1.340 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.060 -1.630 -2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.311 0.316 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.746 0.621 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.946 -1.499 -4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.887 -1.808 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.603 -1.710 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.424 -0.189 -7.278 1.00 0.00 H new ATOM 177 N PHE A 12 -0.976 0.148 -1.112 1.00 0.00 N ATOM 178 CA PHE A 12 -1.632 0.985 -0.119 1.00 0.00 C ATOM 179 C PHE A 12 -0.682 2.057 0.381 1.00 0.00 C ATOM 180 O PHE A 12 0.516 2.008 0.142 1.00 0.00 O ATOM 181 CB PHE A 12 -2.130 0.139 1.058 1.00 0.00 C ATOM 182 CG PHE A 12 -3.318 -0.718 0.748 1.00 0.00 C ATOM 183 CD1 PHE A 12 -3.146 -1.996 0.255 1.00 0.00 C ATOM 184 CD2 PHE A 12 -4.606 -0.243 0.947 1.00 0.00 C ATOM 185 CE1 PHE A 12 -4.245 -2.792 -0.034 1.00 0.00 C ATOM 186 CE2 PHE A 12 -5.701 -1.034 0.656 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.520 -2.312 0.164 1.00 0.00 C ATOM 0 H PHE A 12 -0.113 -0.286 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.489 1.464 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.316 -0.500 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.383 0.803 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.149 -2.379 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.754 0.755 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.100 -3.792 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.699 -0.653 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.375 -2.932 -0.064 1.00 0.00 H new ATOM 197 N GLN A 13 -1.246 3.023 1.078 1.00 0.00 N ATOM 198 CA GLN A 13 -0.501 4.106 1.697 1.00 0.00 C ATOM 199 C GLN A 13 -1.176 4.455 3.019 1.00 0.00 C ATOM 200 O GLN A 13 -2.345 4.106 3.241 1.00 0.00 O ATOM 201 CB GLN A 13 -0.493 5.328 0.770 1.00 0.00 C ATOM 202 CG GLN A 13 -1.896 5.788 0.384 1.00 0.00 C ATOM 203 CD GLN A 13 -1.892 6.951 -0.582 1.00 0.00 C ATOM 204 OE1 GLN A 13 -1.001 7.798 -0.542 1.00 0.00 O ATOM 205 NE2 GLN A 13 -2.909 7.003 -1.431 1.00 0.00 N ATOM 0 H GLN A 13 -2.252 3.080 1.234 1.00 0.00 H new ATOM 0 HA GLN A 13 0.531 3.802 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.030 6.148 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.067 5.089 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.436 4.953 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.440 6.073 1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.620 6.272 -1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.980 7.774 -2.095 1.00 0.00 H new ATOM 214 N VAL A 14 -0.477 5.140 3.900 1.00 0.00 N ATOM 215 CA VAL A 14 -1.023 5.531 5.168 1.00 0.00 C ATOM 216 C VAL A 14 -1.486 6.978 5.090 1.00 0.00 C ATOM 217 O VAL A 14 -0.733 7.851 4.678 1.00 0.00 O ATOM 218 CB VAL A 14 0.018 5.407 6.304 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.632 5.656 7.663 1.00 0.00 C ATOM 220 CG2 VAL A 14 0.697 4.021 6.273 1.00 0.00 C ATOM 0 H VAL A 14 0.487 5.438 3.750 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.857 4.865 5.391 1.00 0.00 H new ATOM 0 HB VAL A 14 0.783 6.167 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.119 5.564 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.058 6.659 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.422 4.923 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.426 3.955 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.057 3.244 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.202 3.884 5.317 1.00 0.00 H new ATOM 230 N VAL A 15 -2.735 7.202 5.471 1.00 0.00 N ATOM 231 CA VAL A 15 -3.265 8.567 5.508 1.00 0.00 C ATOM 232 C VAL A 15 -3.616 8.966 6.947 1.00 0.00 C ATOM 233 O VAL A 15 -3.994 8.110 7.761 1.00 0.00 O ATOM 234 CB VAL A 15 -4.489 8.749 4.590 1.00 0.00 C ATOM 235 CG1 VAL A 15 -4.143 8.418 3.136 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.662 7.883 5.057 1.00 0.00 C ATOM 0 H VAL A 15 -3.393 6.476 5.755 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.481 9.224 5.132 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.785 9.797 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.026 8.555 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.348 9.080 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.808 7.383 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.512 8.032 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.368 6.833 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.942 8.167 6.071 1.00 0.00 H new ATOM 246 N VAL A 16 -3.488 10.233 7.271 1.00 0.00 N ATOM 247 CA VAL A 16 -3.842 10.692 8.594 1.00 0.00 C ATOM 248 C VAL A 16 -4.517 12.065 8.518 1.00 0.00 C ATOM 249 O VAL A 16 -4.228 12.870 7.623 1.00 0.00 O ATOM 250 CB VAL A 16 -2.608 10.760 9.537 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.606 11.811 9.095 1.00 0.00 C ATOM 252 CG2 VAL A 16 -3.040 10.995 10.982 1.00 0.00 C ATOM 0 H VAL A 16 -3.144 10.959 6.642 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.540 9.966 9.013 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.107 9.794 9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.762 11.821 9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.252 11.577 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.084 12.791 9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.159 11.039 11.623 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.585 11.936 11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.684 10.178 11.307 1.00 0.00 H new ATOM 262 N ASN A 17 -5.427 12.305 9.439 1.00 0.00 N ATOM 263 CA ASN A 17 -6.140 13.558 9.537 1.00 0.00 C ATOM 264 C ASN A 17 -5.574 14.357 10.709 1.00 0.00 C ATOM 265 O ASN A 17 -4.911 13.798 11.582 1.00 0.00 O ATOM 266 CB ASN A 17 -7.632 13.285 9.739 1.00 0.00 C ATOM 267 CG ASN A 17 -8.473 14.550 9.744 1.00 0.00 C ATOM 268 OD1 ASN A 17 -8.156 15.533 9.075 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.547 14.540 10.512 1.00 0.00 N ATOM 0 H ASN A 17 -5.695 11.624 10.150 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.018 14.134 8.620 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.985 12.624 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.774 12.757 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.144 15.365 10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.779 13.707 11.053 1.00 0.00 H new ATOM 276 N HIS A 18 -5.857 15.660 10.736 1.00 0.00 N ATOM 277 CA HIS A 18 -5.400 16.531 11.827 1.00 0.00 C ATOM 278 C HIS A 18 -6.118 16.232 13.141 1.00 0.00 C ATOM 279 O HIS A 18 -6.189 17.092 14.018 1.00 0.00 O ATOM 280 CB HIS A 18 -5.562 18.008 11.447 1.00 0.00 C ATOM 281 CG HIS A 18 -6.937 18.384 11.011 1.00 0.00 C ATOM 282 ND1 HIS A 18 -7.325 18.386 9.683 1.00 0.00 N ATOM 283 CD2 HIS A 18 -8.012 18.782 11.713 1.00 0.00 C ATOM 284 CE1 HIS A 18 -8.581 18.774 9.600 1.00 0.00 C ATOM 285 NE2 HIS A 18 -9.020 19.021 10.823 1.00 0.00 N ATOM 0 H HIS A 18 -6.400 16.138 10.017 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.341 16.323 11.982 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.284 18.623 12.303 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.862 18.243 10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.068 18.893 12.786 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.154 18.873 8.690 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.959 19.339 11.063 1.00 0.00 H new ATOM 294 N GLU A 19 -6.619 15.017 13.264 1.00 0.00 N ATOM 295 CA GLU A 19 -7.213 14.533 14.504 1.00 0.00 C ATOM 296 C GLU A 19 -6.314 13.438 15.071 1.00 0.00 C ATOM 297 O GLU A 19 -6.557 12.883 16.139 1.00 0.00 O ATOM 298 CB GLU A 19 -8.605 13.960 14.224 1.00 0.00 C ATOM 299 CG GLU A 19 -9.415 13.609 15.456 1.00 0.00 C ATOM 300 CD GLU A 19 -9.828 14.826 16.247 1.00 0.00 C ATOM 301 OE1 GLU A 19 -9.014 15.342 17.037 1.00 0.00 O ATOM 302 OE2 GLU A 19 -10.973 15.281 16.087 1.00 0.00 O ATOM 0 H GLU A 19 -6.627 14.333 12.507 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.307 15.352 15.217 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.167 14.683 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.496 13.064 13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.305 13.057 15.155 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.830 12.947 16.094 1.00 0.00 H new ATOM 309 N GLU A 20 -5.245 13.141 14.309 1.00 0.00 N ATOM 310 CA GLU A 20 -4.289 12.092 14.623 1.00 0.00 C ATOM 311 C GLU A 20 -4.951 10.712 14.565 1.00 0.00 C ATOM 312 O GLU A 20 -4.547 9.772 15.246 1.00 0.00 O ATOM 313 CB GLU A 20 -3.636 12.325 15.987 1.00 0.00 C ATOM 314 CG GLU A 20 -2.413 11.463 16.226 1.00 0.00 C ATOM 315 CD GLU A 20 -1.834 11.636 17.615 1.00 0.00 C ATOM 316 OE1 GLU A 20 -2.302 10.951 18.541 1.00 0.00 O ATOM 317 OE2 GLU A 20 -0.921 12.470 17.786 1.00 0.00 O ATOM 0 H GLU A 20 -5.028 13.639 13.445 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.504 12.124 13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.353 13.374 16.071 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.368 12.128 16.770 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.677 10.416 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.651 11.709 15.487 1.00 0.00 H new ATOM 324 N GLN A 21 -5.958 10.593 13.710 1.00 0.00 N ATOM 325 CA GLN A 21 -6.561 9.298 13.438 1.00 0.00 C ATOM 326 C GLN A 21 -5.934 8.728 12.168 1.00 0.00 C ATOM 327 O GLN A 21 -6.109 9.267 11.079 1.00 0.00 O ATOM 328 CB GLN A 21 -8.076 9.411 13.303 1.00 0.00 C ATOM 329 CG GLN A 21 -8.792 9.717 14.611 1.00 0.00 C ATOM 330 CD GLN A 21 -10.312 9.585 14.481 1.00 0.00 C ATOM 331 OE1 GLN A 21 -10.885 8.514 14.691 1.00 0.00 O ATOM 332 NE2 GLN A 21 -10.959 10.669 14.118 1.00 0.00 N ATOM 0 H GLN A 21 -6.371 11.372 13.197 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.370 8.624 14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.309 10.194 12.581 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.465 8.477 12.897 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.435 9.039 15.386 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.543 10.728 14.932 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.449 11.537 13.954 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.972 10.643 14.001 1.00 0.00 H new ATOM 341 N TYR A 22 -5.164 7.664 12.325 1.00 0.00 N ATOM 342 CA TYR A 22 -4.480 7.034 11.209 1.00 0.00 C ATOM 343 C TYR A 22 -5.375 6.028 10.537 1.00 0.00 C ATOM 344 O TYR A 22 -6.105 5.279 11.197 1.00 0.00 O ATOM 345 CB TYR A 22 -3.193 6.371 11.667 1.00 0.00 C ATOM 346 CG TYR A 22 -2.093 7.361 11.988 1.00 0.00 C ATOM 347 CD1 TYR A 22 -2.081 8.064 13.186 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.082 7.625 11.083 1.00 0.00 C ATOM 349 CE1 TYR A 22 -1.096 8.992 13.468 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.087 8.545 11.346 1.00 0.00 C ATOM 351 CZ TYR A 22 -0.102 9.228 12.549 1.00 0.00 C ATOM 352 OH TYR A 22 0.886 10.149 12.818 1.00 0.00 O ATOM 0 H TYR A 22 -4.996 7.215 13.225 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.228 7.811 10.488 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.398 5.766 12.551 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.845 5.691 10.889 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.858 7.882 13.913 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.070 7.096 10.142 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.108 9.528 14.405 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.693 8.729 10.622 1.00 0.00 H new ATOM 0 HH TYR A 22 1.509 10.191 12.062 1.00 0.00 H new ATOM 362 N SER A 23 -5.327 5.993 9.219 1.00 0.00 N ATOM 363 CA SER A 23 -6.144 5.056 8.458 1.00 0.00 C ATOM 364 C SER A 23 -5.340 4.528 7.282 1.00 0.00 C ATOM 365 O SER A 23 -4.260 5.061 6.963 1.00 0.00 O ATOM 366 CB SER A 23 -7.429 5.739 7.961 1.00 0.00 C ATOM 367 OG SER A 23 -8.361 4.784 7.518 1.00 0.00 O ATOM 0 H SER A 23 -4.734 6.599 8.651 1.00 0.00 H new ATOM 0 HA SER A 23 -6.429 4.226 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.864 6.334 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.191 6.426 7.149 1.00 0.00 H new ATOM 0 HG SER A 23 -9.172 5.238 7.207 1.00 0.00 H new ATOM 373 N ILE A 24 -5.856 3.497 6.635 1.00 0.00 N ATOM 374 CA ILE A 24 -5.187 2.885 5.495 1.00 0.00 C ATOM 375 C ILE A 24 -5.964 3.238 4.226 1.00 0.00 C ATOM 376 O ILE A 24 -7.190 3.316 4.256 1.00 0.00 O ATOM 377 CB ILE A 24 -5.036 1.374 5.654 1.00 0.00 C ATOM 378 CG1 ILE A 24 -6.436 0.683 5.676 1.00 0.00 C ATOM 379 CG2 ILE A 24 -4.267 1.039 6.922 1.00 0.00 C ATOM 380 CD1 ILE A 24 -6.356 -0.823 5.735 1.00 0.00 C ATOM 0 H ILE A 24 -6.745 3.061 6.881 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.173 3.280 5.429 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.473 0.999 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.999 1.044 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.992 0.976 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.172 -0.043 7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.275 1.488 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.802 1.431 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.363 -1.241 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.821 -1.193 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.827 -1.124 6.639 1.00 0.00 H new ATOM 392 N TRP A 25 -5.245 3.455 3.140 1.00 0.00 N ATOM 393 CA TRP A 25 -5.878 3.865 1.901 1.00 0.00 C ATOM 394 C TRP A 25 -5.069 3.357 0.720 1.00 0.00 C ATOM 395 O TRP A 25 -3.845 3.342 0.763 1.00 0.00 O ATOM 396 CB TRP A 25 -5.969 5.401 1.882 1.00 0.00 C ATOM 397 CG TRP A 25 -6.985 5.956 0.956 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.755 6.573 -0.241 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.413 5.968 1.139 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.940 6.962 -0.813 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.966 6.615 0.016 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.261 5.511 2.149 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -10.343 6.790 -0.126 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.620 5.702 2.010 1.00 0.00 C ATOM 405 CH2 TRP A 25 -11.161 6.321 0.874 1.00 0.00 C ATOM 0 H TRP A 25 -4.231 3.355 3.091 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.881 3.445 1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.190 5.750 2.891 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.993 5.805 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.779 6.732 -0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.038 7.434 -1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.861 5.017 3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.754 7.280 -0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.283 5.367 2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -12.232 6.430 0.784 1.00 0.00 H new ATOM 416 N PRO A 26 -5.729 2.903 -0.364 1.00 0.00 N ATOM 417 CA PRO A 26 -5.042 2.448 -1.581 1.00 0.00 C ATOM 418 C PRO A 26 -4.194 3.569 -2.186 1.00 0.00 C ATOM 419 O PRO A 26 -4.612 4.731 -2.159 1.00 0.00 O ATOM 420 CB PRO A 26 -6.175 2.049 -2.508 1.00 0.00 C ATOM 421 CG PRO A 26 -7.353 1.804 -1.610 1.00 0.00 C ATOM 422 CD PRO A 26 -7.184 2.778 -0.469 1.00 0.00 C ATOM 0 HA PRO A 26 -4.348 1.629 -1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.388 2.837 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.921 1.155 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.292 1.972 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.369 0.775 -1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.658 3.736 -0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.626 2.401 0.454 1.00 0.00 H new ATOM 430 N GLU A 27 -3.047 3.234 -2.738 1.00 0.00 N ATOM 431 CA GLU A 27 -2.135 4.231 -3.275 1.00 0.00 C ATOM 432 C GLU A 27 -2.695 4.851 -4.548 1.00 0.00 C ATOM 433 O GLU A 27 -2.644 6.052 -4.745 1.00 0.00 O ATOM 434 CB GLU A 27 -0.761 3.621 -3.559 1.00 0.00 C ATOM 435 CG GLU A 27 0.299 4.653 -3.895 1.00 0.00 C ATOM 436 CD GLU A 27 1.544 4.027 -4.494 1.00 0.00 C ATOM 437 OE1 GLU A 27 2.404 3.551 -3.738 1.00 0.00 O ATOM 438 OE2 GLU A 27 1.662 4.026 -5.741 1.00 0.00 O ATOM 0 H GLU A 27 -2.719 2.272 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.023 5.012 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.438 3.050 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.848 2.918 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.113 5.379 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.569 5.200 -2.992 1.00 0.00 H new ATOM 445 N TYR A 28 -3.244 3.998 -5.412 1.00 0.00 N ATOM 446 CA TYR A 28 -3.774 4.438 -6.700 1.00 0.00 C ATOM 447 C TYR A 28 -5.105 5.155 -6.523 1.00 0.00 C ATOM 448 O TYR A 28 -5.621 5.779 -7.430 1.00 0.00 O ATOM 449 CB TYR A 28 -3.915 3.250 -7.653 1.00 0.00 C ATOM 450 CG TYR A 28 -5.040 2.301 -7.319 1.00 0.00 C ATOM 451 CD1 TYR A 28 -4.971 1.448 -6.221 1.00 0.00 C ATOM 452 CD2 TYR A 28 -6.178 2.263 -8.102 1.00 0.00 C ATOM 453 CE1 TYR A 28 -6.001 0.587 -5.931 1.00 0.00 C ATOM 454 CE2 TYR A 28 -7.211 1.400 -7.816 1.00 0.00 C ATOM 455 CZ TYR A 28 -7.117 0.559 -6.737 1.00 0.00 C ATOM 456 OH TYR A 28 -8.153 -0.293 -6.451 1.00 0.00 O ATOM 0 H TYR A 28 -3.333 2.996 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.070 5.146 -7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.066 3.629 -8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.978 2.693 -7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.096 1.464 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.258 2.922 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.936 -0.066 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.093 1.385 -8.439 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.861 -0.183 -7.120 1.00 0.00 H new ATOM 466 N LYS A 29 -5.660 5.035 -5.331 1.00 0.00 N ATOM 467 CA LYS A 29 -6.908 5.717 -5.010 1.00 0.00 C ATOM 468 C LYS A 29 -6.598 7.055 -4.376 1.00 0.00 C ATOM 469 O LYS A 29 -5.709 7.170 -3.526 1.00 0.00 O ATOM 470 CB LYS A 29 -7.745 4.852 -4.057 1.00 0.00 C ATOM 471 CG LYS A 29 -9.087 5.477 -3.675 1.00 0.00 C ATOM 472 CD LYS A 29 -9.828 4.588 -2.699 1.00 0.00 C ATOM 473 CE LYS A 29 -10.468 3.398 -3.396 1.00 0.00 C ATOM 474 NZ LYS A 29 -11.609 3.793 -4.250 1.00 0.00 N ATOM 0 H LYS A 29 -5.272 4.476 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.482 5.880 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.925 3.884 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.170 4.666 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.924 6.459 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.692 5.629 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.138 4.233 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.597 5.169 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.720 2.891 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.808 2.682 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.175 2.952 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.203 4.479 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.253 4.226 -5.126 1.00 0.00 H new ATOM 488 N GLU A 30 -7.313 8.106 -4.778 1.00 0.00 N ATOM 489 CA GLU A 30 -7.045 9.441 -4.295 1.00 0.00 C ATOM 490 C GLU A 30 -7.495 9.581 -2.848 1.00 0.00 C ATOM 491 O GLU A 30 -8.549 9.060 -2.452 1.00 0.00 O ATOM 492 CB GLU A 30 -7.738 10.495 -5.182 1.00 0.00 C ATOM 493 CG GLU A 30 -7.402 11.920 -4.818 1.00 0.00 C ATOM 494 CD GLU A 30 -5.920 12.178 -4.846 1.00 0.00 C ATOM 495 OE1 GLU A 30 -5.396 12.533 -5.923 1.00 0.00 O ATOM 496 OE2 GLU A 30 -5.268 12.021 -3.791 1.00 0.00 O ATOM 0 H GLU A 30 -8.085 8.047 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.970 9.613 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.459 10.321 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.817 10.358 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.900 12.598 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.789 12.140 -3.823 1.00 0.00 H new ATOM 503 N ILE A 31 -6.692 10.266 -2.054 1.00 0.00 N ATOM 504 CA ILE A 31 -6.981 10.470 -0.645 1.00 0.00 C ATOM 505 C ILE A 31 -8.238 11.342 -0.460 1.00 0.00 C ATOM 506 O ILE A 31 -8.458 12.277 -1.227 1.00 0.00 O ATOM 507 CB ILE A 31 -5.770 11.155 0.045 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.502 10.323 -0.176 1.00 0.00 C ATOM 509 CG2 ILE A 31 -6.029 11.362 1.533 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.247 10.953 0.397 1.00 0.00 C ATOM 0 H ILE A 31 -5.822 10.696 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.164 9.497 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.628 12.138 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.641 9.340 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.363 10.167 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.164 11.843 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.907 11.994 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.201 10.397 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.393 10.305 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.081 11.924 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.364 11.083 1.473 1.00 0.00 H new ATOM 522 N PRO A 32 -9.095 11.028 0.537 1.00 0.00 N ATOM 523 CA PRO A 32 -10.273 11.856 0.840 1.00 0.00 C ATOM 524 C PRO A 32 -9.856 13.296 1.164 1.00 0.00 C ATOM 525 O PRO A 32 -8.850 13.526 1.835 1.00 0.00 O ATOM 526 CB PRO A 32 -10.892 11.181 2.054 1.00 0.00 C ATOM 527 CG PRO A 32 -10.355 9.768 2.049 1.00 0.00 C ATOM 528 CD PRO A 32 -8.996 9.860 1.414 1.00 0.00 C ATOM 0 HA PRO A 32 -10.967 11.927 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.620 11.701 2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.980 11.187 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.290 9.369 3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.008 9.102 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.213 9.987 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.756 8.958 0.852 1.00 0.00 H new ATOM 536 N GLN A 33 -10.660 14.243 0.696 1.00 0.00 N ATOM 537 CA GLN A 33 -10.392 15.654 0.906 1.00 0.00 C ATOM 538 C GLN A 33 -10.381 16.019 2.391 1.00 0.00 C ATOM 539 O GLN A 33 -11.439 16.139 3.025 1.00 0.00 O ATOM 540 CB GLN A 33 -11.425 16.502 0.143 1.00 0.00 C ATOM 541 CG GLN A 33 -12.862 16.135 0.453 1.00 0.00 C ATOM 542 CD GLN A 33 -13.867 16.877 -0.394 1.00 0.00 C ATOM 543 OE1 GLN A 33 -13.621 18.011 -0.840 1.00 0.00 O ATOM 544 NE2 GLN A 33 -14.988 16.222 -0.671 1.00 0.00 N ATOM 0 H GLN A 33 -11.509 14.053 0.164 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.396 15.868 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.268 17.553 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.254 16.391 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.995 15.063 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.063 16.340 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.145 15.293 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.692 16.648 -1.274 1.00 0.00 H new ATOM 553 N GLY A 34 -9.193 16.180 2.938 1.00 0.00 N ATOM 554 CA GLY A 34 -9.059 16.515 4.343 1.00 0.00 C ATOM 555 C GLY A 34 -8.028 15.656 5.032 1.00 0.00 C ATOM 556 O GLY A 34 -7.526 15.999 6.106 1.00 0.00 O ATOM 0 H GLY A 34 -8.311 16.085 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.781 17.564 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.022 16.393 4.838 1.00 0.00 H new ATOM 560 N TRP A 35 -7.695 14.526 4.401 1.00 0.00 N ATOM 561 CA TRP A 35 -6.672 13.636 4.919 1.00 0.00 C ATOM 562 C TRP A 35 -5.355 13.913 4.228 1.00 0.00 C ATOM 563 O TRP A 35 -5.333 14.509 3.149 1.00 0.00 O ATOM 564 CB TRP A 35 -7.080 12.174 4.709 1.00 0.00 C ATOM 565 CG TRP A 35 -8.309 11.764 5.454 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.611 12.119 5.199 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.360 10.894 6.591 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.451 11.526 6.097 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.705 10.755 6.962 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.380 10.205 7.320 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -10.093 9.982 8.052 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.784 9.416 8.378 1.00 0.00 C ATOM 573 CH2 TRP A 35 -9.128 9.324 8.750 1.00 0.00 C ATOM 0 H TRP A 35 -8.124 14.213 3.530 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.559 13.814 5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.241 12.004 3.645 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.254 11.531 5.013 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.926 12.775 4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.465 11.636 6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.335 10.290 7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.132 9.906 8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.044 8.857 8.931 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.404 8.722 9.603 1.00 0.00 H new ATOM 584 N ARG A 36 -4.251 13.475 4.824 1.00 0.00 N ATOM 585 CA ARG A 36 -2.933 13.703 4.264 1.00 0.00 C ATOM 586 C ARG A 36 -2.134 12.420 4.246 1.00 0.00 C ATOM 587 O ARG A 36 -2.362 11.535 5.089 1.00 0.00 O ATOM 588 CB ARG A 36 -2.186 14.786 5.031 1.00 0.00 C ATOM 589 CG ARG A 36 -2.865 16.134 4.967 1.00 0.00 C ATOM 590 CD ARG A 36 -1.981 17.235 5.533 1.00 0.00 C ATOM 591 NE ARG A 36 -2.613 18.548 5.463 1.00 0.00 N ATOM 592 CZ ARG A 36 -1.954 19.661 5.174 1.00 0.00 C ATOM 593 NH1 ARG A 36 -0.644 19.652 5.011 1.00 0.00 N ATOM 594 NH2 ARG A 36 -2.612 20.824 5.104 1.00 0.00 N ATOM 0 H ARG A 36 -4.249 12.956 5.702 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.062 14.048 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.090 14.484 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.176 14.875 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.118 16.366 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.802 16.097 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.740 17.006 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.039 17.259 4.985 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.614 18.613 5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.124 18.780 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.152 20.517 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.618 20.852 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.108 21.683 4.882 1.00 0.00 H new ATOM 608 N ALA A 37 -1.223 12.309 3.296 1.00 0.00 N ATOM 609 CA ALA A 37 -0.368 11.139 3.192 1.00 0.00 C ATOM 610 C ALA A 37 0.696 11.142 4.291 1.00 0.00 C ATOM 611 O ALA A 37 1.402 12.139 4.473 1.00 0.00 O ATOM 612 CB ALA A 37 0.271 11.067 1.823 1.00 0.00 C ATOM 0 H ALA A 37 -1.055 13.018 2.582 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.987 10.252 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.908 10.184 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.506 11.005 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.873 11.960 1.655 1.00 0.00 H new ATOM 618 N ALA A 38 0.802 10.041 5.018 1.00 0.00 N ATOM 619 CA ALA A 38 1.753 9.954 6.115 1.00 0.00 C ATOM 620 C ALA A 38 3.183 9.750 5.602 1.00 0.00 C ATOM 621 O ALA A 38 4.145 10.026 6.310 1.00 0.00 O ATOM 622 CB ALA A 38 1.361 8.833 7.070 1.00 0.00 C ATOM 0 H ALA A 38 0.245 9.200 4.870 1.00 0.00 H new ATOM 0 HA ALA A 38 1.728 10.900 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.082 8.781 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.369 9.031 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.351 7.884 6.533 1.00 0.00 H new ATOM 628 N GLY A 39 3.304 9.270 4.360 1.00 0.00 N ATOM 629 CA GLY A 39 4.609 9.082 3.768 1.00 0.00 C ATOM 630 C GLY A 39 4.788 7.712 3.160 1.00 0.00 C ATOM 631 O GLY A 39 4.679 7.563 1.951 1.00 0.00 O ATOM 0 H GLY A 39 2.519 9.011 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.765 9.838 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.373 9.239 4.529 1.00 0.00 H new ATOM 635 N LYS A 40 5.022 6.714 4.005 1.00 0.00 N ATOM 636 CA LYS A 40 5.314 5.350 3.536 1.00 0.00 C ATOM 637 C LYS A 40 4.163 4.790 2.700 1.00 0.00 C ATOM 638 O LYS A 40 3.065 4.545 3.198 1.00 0.00 O ATOM 639 CB LYS A 40 5.634 4.423 4.710 1.00 0.00 C ATOM 640 CG LYS A 40 5.980 3.001 4.276 1.00 0.00 C ATOM 641 CD LYS A 40 6.630 2.210 5.380 1.00 0.00 C ATOM 642 CE LYS A 40 6.957 0.797 4.921 1.00 0.00 C ATOM 643 NZ LYS A 40 7.851 0.094 5.876 1.00 0.00 N ATOM 0 H LYS A 40 5.017 6.817 5.020 1.00 0.00 H new ATOM 0 HA LYS A 40 6.195 5.404 2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.469 4.837 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.778 4.392 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.073 2.491 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.649 3.038 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.543 2.711 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.966 2.171 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.033 0.231 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.432 0.835 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.049 -0.865 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.744 0.620 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.388 0.034 6.805 1.00 0.00 H new ATOM 657 N SER A 41 4.439 4.604 1.409 1.00 0.00 N ATOM 658 CA SER A 41 3.476 4.034 0.486 1.00 0.00 C ATOM 659 C SER A 41 4.088 2.801 -0.204 1.00 0.00 C ATOM 660 O SER A 41 5.210 2.850 -0.705 1.00 0.00 O ATOM 661 CB SER A 41 3.079 5.082 -0.566 1.00 0.00 C ATOM 662 OG SER A 41 2.722 6.316 0.061 1.00 0.00 O ATOM 0 H SER A 41 5.333 4.845 0.982 1.00 0.00 H new ATOM 0 HA SER A 41 2.586 3.730 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.908 5.245 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.241 4.712 -1.157 1.00 0.00 H new ATOM 0 HG SER A 41 3.503 6.687 0.522 1.00 0.00 H new ATOM 668 N GLY A 42 3.339 1.710 -0.234 1.00 0.00 N ATOM 669 CA GLY A 42 3.838 0.473 -0.803 1.00 0.00 C ATOM 670 C GLY A 42 2.752 -0.581 -0.881 1.00 0.00 C ATOM 671 O GLY A 42 1.627 -0.283 -1.224 1.00 0.00 O ATOM 0 H GLY A 42 2.387 1.658 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.233 0.664 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.665 0.101 -0.198 1.00 0.00 H new ATOM 675 N LEU A 43 3.114 -1.817 -0.576 1.00 0.00 N ATOM 676 CA LEU A 43 2.132 -2.887 -0.574 1.00 0.00 C ATOM 677 C LEU A 43 1.318 -2.855 0.706 1.00 0.00 C ATOM 678 O LEU A 43 1.567 -2.047 1.602 1.00 0.00 O ATOM 679 CB LEU A 43 2.804 -4.263 -0.735 1.00 0.00 C ATOM 680 CG LEU A 43 3.224 -4.667 -2.161 1.00 0.00 C ATOM 681 CD1 LEU A 43 2.022 -4.639 -3.094 1.00 0.00 C ATOM 682 CD2 LEU A 43 4.306 -3.749 -2.687 1.00 0.00 C ATOM 0 H LEU A 43 4.063 -2.100 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 43 1.468 -2.730 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.690 -4.285 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.120 -5.022 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 43 3.621 -5.681 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.334 -4.927 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.266 -5.337 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.604 -3.633 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.585 -4.056 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.935 -2.724 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.179 -3.805 -2.036 1.00 0.00 H new ATOM 694 N LYS A 44 0.343 -3.759 0.793 1.00 0.00 N ATOM 695 CA LYS A 44 -0.502 -3.861 1.981 1.00 0.00 C ATOM 696 C LYS A 44 0.372 -4.118 3.217 1.00 0.00 C ATOM 697 O LYS A 44 0.232 -3.455 4.234 1.00 0.00 O ATOM 698 CB LYS A 44 -1.503 -5.003 1.791 1.00 0.00 C ATOM 699 CG LYS A 44 -2.406 -5.252 2.992 1.00 0.00 C ATOM 700 CD LYS A 44 -3.460 -4.175 3.145 1.00 0.00 C ATOM 701 CE LYS A 44 -4.364 -4.458 4.362 1.00 0.00 C ATOM 702 NZ LYS A 44 -4.975 -5.804 4.312 1.00 0.00 N ATOM 0 H LYS A 44 0.119 -4.429 0.057 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.047 -2.929 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.125 -4.785 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.954 -5.918 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.892 -6.222 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.800 -5.297 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.979 -3.204 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.066 -4.123 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.778 -4.362 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.152 -3.706 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.745 -5.862 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.356 -5.977 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.254 -6.521 4.533 1.00 0.00 H new ATOM 716 N LYS A 45 1.286 -5.065 3.085 1.00 0.00 N ATOM 717 CA LYS A 45 2.176 -5.463 4.177 1.00 0.00 C ATOM 718 C LYS A 45 3.048 -4.295 4.656 1.00 0.00 C ATOM 719 O LYS A 45 3.379 -4.220 5.835 1.00 0.00 O ATOM 720 CB LYS A 45 3.028 -6.677 3.759 1.00 0.00 C ATOM 721 CG LYS A 45 3.701 -6.541 2.402 1.00 0.00 C ATOM 722 CD LYS A 45 5.036 -5.803 2.477 1.00 0.00 C ATOM 723 CE LYS A 45 5.688 -5.665 1.109 1.00 0.00 C ATOM 724 NZ LYS A 45 5.855 -6.977 0.433 1.00 0.00 N ATOM 0 H LYS A 45 1.436 -5.583 2.219 1.00 0.00 H new ATOM 0 HA LYS A 45 1.558 -5.758 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.795 -6.844 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.393 -7.563 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.862 -7.533 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.035 -6.010 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.880 -4.813 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.709 -6.338 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.081 -5.010 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.662 -5.188 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.505 -6.872 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.246 -7.667 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.931 -7.312 0.092 1.00 0.00 H new ATOM 738 N ASP A 46 3.374 -3.388 3.739 1.00 0.00 N ATOM 739 CA ASP A 46 4.197 -2.226 4.062 1.00 0.00 C ATOM 740 C ASP A 46 3.413 -1.260 4.957 1.00 0.00 C ATOM 741 O ASP A 46 3.966 -0.698 5.908 1.00 0.00 O ATOM 742 CB ASP A 46 4.647 -1.471 2.813 1.00 0.00 C ATOM 743 CG ASP A 46 5.687 -2.222 2.008 1.00 0.00 C ATOM 744 OD1 ASP A 46 6.816 -2.418 2.510 1.00 0.00 O ATOM 745 OD2 ASP A 46 5.387 -2.592 0.855 1.00 0.00 O ATOM 0 H ASP A 46 3.080 -3.436 2.764 1.00 0.00 H new ATOM 0 HA ASP A 46 5.082 -2.599 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.780 -1.275 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.053 -0.503 3.107 1.00 0.00 H new ATOM 750 N CYS A 47 2.149 -1.083 4.634 1.00 0.00 N ATOM 751 CA CYS A 47 1.285 -0.197 5.385 1.00 0.00 C ATOM 752 C CYS A 47 1.056 -0.762 6.787 1.00 0.00 C ATOM 753 O CYS A 47 1.154 -0.050 7.780 1.00 0.00 O ATOM 754 CB CYS A 47 -0.053 -0.025 4.662 1.00 0.00 C ATOM 755 SG CYS A 47 -1.175 1.107 5.485 1.00 0.00 S ATOM 0 H CYS A 47 1.694 -1.547 3.848 1.00 0.00 H new ATOM 0 HA CYS A 47 1.764 0.778 5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.134 0.334 3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.535 -0.998 4.571 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.280 1.194 4.805 1.00 0.00 H new ATOM 761 N LEU A 48 0.773 -2.060 6.826 1.00 0.00 N ATOM 762 CA LEU A 48 0.538 -2.761 8.082 1.00 0.00 C ATOM 763 C LEU A 48 1.727 -2.616 9.023 1.00 0.00 C ATOM 764 O LEU A 48 1.571 -2.356 10.208 1.00 0.00 O ATOM 765 CB LEU A 48 0.263 -4.236 7.820 1.00 0.00 C ATOM 766 CG LEU A 48 -0.920 -4.516 6.901 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.117 -6.001 6.759 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.188 -3.855 7.448 1.00 0.00 C ATOM 0 H LEU A 48 0.701 -2.650 5.997 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.334 -2.312 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.156 -4.685 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.088 -4.733 8.774 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.712 -4.094 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.964 -6.194 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.218 -6.448 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.312 -6.438 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.024 -4.064 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.407 -4.252 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.037 -2.778 7.514 1.00 0.00 H new ATOM 780 N ALA A 49 2.912 -2.811 8.452 1.00 0.00 N ATOM 781 CA ALA A 49 4.155 -2.691 9.184 1.00 0.00 C ATOM 782 C ALA A 49 4.289 -1.311 9.804 1.00 0.00 C ATOM 783 O ALA A 49 4.634 -1.163 10.982 1.00 0.00 O ATOM 784 CB ALA A 49 5.332 -2.978 8.280 1.00 0.00 C ATOM 0 H ALA A 49 3.031 -3.056 7.469 1.00 0.00 H new ATOM 0 HA ALA A 49 4.146 -3.426 9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.258 -2.883 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.250 -3.991 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.338 -2.267 7.454 1.00 0.00 H new ATOM 790 N TYR A 50 4.020 -0.289 8.999 1.00 0.00 N ATOM 791 CA TYR A 50 4.121 1.093 9.450 1.00 0.00 C ATOM 792 C TYR A 50 3.206 1.362 10.658 1.00 0.00 C ATOM 793 O TYR A 50 3.630 1.969 11.625 1.00 0.00 O ATOM 794 CB TYR A 50 3.772 2.049 8.298 1.00 0.00 C ATOM 795 CG TYR A 50 4.087 3.509 8.606 1.00 0.00 C ATOM 796 CD1 TYR A 50 5.395 3.974 8.542 1.00 0.00 C ATOM 797 CD2 TYR A 50 3.081 4.409 8.955 1.00 0.00 C ATOM 798 CE1 TYR A 50 5.679 5.291 8.826 1.00 0.00 C ATOM 799 CE2 TYR A 50 3.372 5.718 9.231 1.00 0.00 C ATOM 800 CZ TYR A 50 4.673 6.158 9.174 1.00 0.00 C ATOM 801 OH TYR A 50 4.959 7.478 9.444 1.00 0.00 O ATOM 0 H TYR A 50 3.729 -0.393 8.027 1.00 0.00 H new ATOM 0 HA TYR A 50 5.149 1.268 9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.321 1.747 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.711 1.955 8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.193 3.299 8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.057 4.069 9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.698 5.644 8.775 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.580 6.404 9.493 1.00 0.00 H new ATOM 0 HH TYR A 50 4.132 7.952 9.673 1.00 0.00 H new ATOM 811 N ILE A 51 1.974 0.871 10.613 1.00 0.00 N ATOM 812 CA ILE A 51 0.998 1.167 11.656 1.00 0.00 C ATOM 813 C ILE A 51 1.364 0.480 12.959 1.00 0.00 C ATOM 814 O ILE A 51 1.096 0.979 14.047 1.00 0.00 O ATOM 815 CB ILE A 51 -0.434 0.721 11.249 1.00 0.00 C ATOM 816 CG1 ILE A 51 -0.754 1.128 9.804 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.451 1.294 12.208 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.513 2.595 9.489 1.00 0.00 C ATOM 0 H ILE A 51 1.627 0.267 9.868 1.00 0.00 H new ATOM 0 HA ILE A 51 1.011 2.248 11.792 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.480 -0.367 11.301 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.151 0.522 9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.798 0.893 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.450 0.974 11.912 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.240 0.939 13.217 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.397 2.382 12.188 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.766 2.790 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.136 3.213 10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.536 2.836 9.659 1.00 0.00 H new ATOM 830 N GLU A 52 1.932 -0.705 12.832 1.00 0.00 N ATOM 831 CA GLU A 52 2.359 -1.484 13.979 1.00 0.00 C ATOM 832 C GLU A 52 3.423 -0.737 14.802 1.00 0.00 C ATOM 833 O GLU A 52 3.387 -0.774 16.035 1.00 0.00 O ATOM 834 CB GLU A 52 2.894 -2.824 13.498 1.00 0.00 C ATOM 835 CG GLU A 52 3.094 -3.851 14.584 1.00 0.00 C ATOM 836 CD GLU A 52 3.577 -5.171 14.037 1.00 0.00 C ATOM 837 OE1 GLU A 52 2.743 -5.938 13.514 1.00 0.00 O ATOM 838 OE2 GLU A 52 4.789 -5.455 14.128 1.00 0.00 O ATOM 0 H GLU A 52 2.110 -1.153 11.933 1.00 0.00 H new ATOM 0 HA GLU A 52 1.502 -1.646 14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.206 -3.229 12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.846 -2.659 12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.815 -3.475 15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.155 -4.002 15.117 1.00 0.00 H new ATOM 845 N GLU A 53 4.339 -0.081 14.099 1.00 0.00 N ATOM 846 CA GLU A 53 5.487 0.594 14.741 1.00 0.00 C ATOM 847 C GLU A 53 5.114 1.465 15.965 1.00 0.00 C ATOM 848 O GLU A 53 5.583 1.186 17.056 1.00 0.00 O ATOM 849 CB GLU A 53 6.274 1.415 13.725 1.00 0.00 C ATOM 850 CG GLU A 53 6.788 0.579 12.573 1.00 0.00 C ATOM 851 CD GLU A 53 7.753 -0.504 13.016 1.00 0.00 C ATOM 852 OE1 GLU A 53 7.304 -1.583 13.421 1.00 0.00 O ATOM 853 OE2 GLU A 53 8.981 -0.271 12.927 1.00 0.00 O ATOM 0 H GLU A 53 4.319 0.004 13.083 1.00 0.00 H new ATOM 0 HA GLU A 53 6.113 -0.210 15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.639 2.211 13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.116 1.895 14.225 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.944 0.119 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.284 1.229 11.852 1.00 0.00 H new ATOM 860 N VAL A 54 4.284 2.515 15.832 1.00 0.00 N ATOM 861 CA VAL A 54 3.703 2.993 14.577 1.00 0.00 C ATOM 862 C VAL A 54 4.561 4.096 13.967 1.00 0.00 C ATOM 863 O VAL A 54 4.767 4.158 12.758 1.00 0.00 O ATOM 864 CB VAL A 54 2.255 3.543 14.799 1.00 0.00 C ATOM 865 CG1 VAL A 54 2.205 4.514 15.976 1.00 0.00 C ATOM 866 CG2 VAL A 54 1.721 4.224 13.548 1.00 0.00 C ATOM 0 H VAL A 54 3.991 3.073 16.634 1.00 0.00 H new ATOM 0 HA VAL A 54 3.664 2.143 13.896 1.00 0.00 H new ATOM 0 HB VAL A 54 1.621 2.686 15.025 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.186 4.878 16.104 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.524 4.002 16.884 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.869 5.356 15.782 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.713 4.594 13.737 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.370 5.058 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.696 3.508 12.726 1.00 0.00 H new ATOM 876 N TRP A 55 5.083 4.950 14.823 1.00 0.00 N ATOM 877 CA TRP A 55 5.960 6.046 14.431 1.00 0.00 C ATOM 878 C TRP A 55 6.962 6.300 15.557 1.00 0.00 C ATOM 879 O TRP A 55 7.612 7.325 15.623 1.00 0.00 O ATOM 880 CB TRP A 55 5.109 7.293 14.154 1.00 0.00 C ATOM 881 CG TRP A 55 5.899 8.456 13.645 1.00 0.00 C ATOM 882 CD1 TRP A 55 6.431 8.612 12.396 1.00 0.00 C ATOM 883 CD2 TRP A 55 6.239 9.640 14.373 1.00 0.00 C ATOM 884 NE1 TRP A 55 7.084 9.821 12.307 1.00 0.00 N ATOM 885 CE2 TRP A 55 6.984 10.466 13.512 1.00 0.00 C ATOM 886 CE3 TRP A 55 5.991 10.085 15.679 1.00 0.00 C ATOM 887 CZ2 TRP A 55 7.479 11.703 13.917 1.00 0.00 C ATOM 888 CZ3 TRP A 55 6.471 11.308 16.069 1.00 0.00 C ATOM 889 CH2 TRP A 55 7.214 12.109 15.195 1.00 0.00 C ATOM 0 H TRP A 55 4.910 4.906 15.827 1.00 0.00 H new ATOM 0 HA TRP A 55 6.510 5.797 13.524 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.338 7.042 13.426 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.598 7.585 15.071 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.351 7.892 11.595 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.563 10.178 11.480 1.00 0.00 H new ATOM 0 HE3 TRP A 55 5.429 9.472 16.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.054 12.321 13.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.272 11.660 17.070 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.584 13.064 15.536 1.00 0.00 H new ATOM 900 N THR A 56 7.108 5.305 16.422 1.00 0.00 N ATOM 901 CA THR A 56 7.889 5.459 17.657 1.00 0.00 C ATOM 902 C THR A 56 9.289 6.043 17.413 1.00 0.00 C ATOM 903 O THR A 56 10.163 5.438 16.795 1.00 0.00 O ATOM 904 CB THR A 56 7.953 4.133 18.446 1.00 0.00 C ATOM 905 OG1 THR A 56 8.715 4.305 19.647 1.00 0.00 O ATOM 906 CG2 THR A 56 8.540 3.022 17.591 1.00 0.00 C ATOM 0 H THR A 56 6.698 4.379 16.297 1.00 0.00 H new ATOM 0 HA THR A 56 7.361 6.190 18.269 1.00 0.00 H new ATOM 0 HB THR A 56 6.937 3.846 18.718 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.616 3.943 19.517 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.575 2.098 18.169 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.918 2.875 16.708 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.549 3.295 17.282 1.00 0.00 H new ATOM 914 N ASP A 57 9.469 7.266 17.916 1.00 0.00 N ATOM 915 CA ASP A 57 10.674 8.076 17.665 1.00 0.00 C ATOM 916 C ASP A 57 11.906 7.499 18.352 1.00 0.00 C ATOM 917 O ASP A 57 12.997 7.546 17.796 1.00 0.00 O ATOM 918 CB ASP A 57 10.445 9.523 18.115 1.00 0.00 C ATOM 919 CG ASP A 57 10.294 9.673 19.621 1.00 0.00 C ATOM 920 OD1 ASP A 57 9.443 8.971 20.220 1.00 0.00 O ATOM 921 OD2 ASP A 57 11.024 10.480 20.215 1.00 0.00 O ATOM 0 H ASP A 57 8.783 7.729 18.512 1.00 0.00 H new ATOM 0 HA ASP A 57 10.860 8.057 16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.281 10.136 17.779 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.550 9.909 17.628 1.00 0.00 H new ATOM 926 N MET A 58 11.752 6.939 19.544 1.00 0.00 N ATOM 927 CA MET A 58 12.899 6.446 20.280 1.00 0.00 C ATOM 928 C MET A 58 12.725 5.019 20.725 1.00 0.00 C ATOM 929 O MET A 58 13.604 4.183 20.518 1.00 0.00 O ATOM 930 CB MET A 58 13.153 7.341 21.503 1.00 0.00 C ATOM 931 CG MET A 58 13.692 8.717 21.165 1.00 0.00 C ATOM 932 SD MET A 58 14.012 9.696 22.645 1.00 0.00 S ATOM 933 CE MET A 58 15.163 8.642 23.527 1.00 0.00 C ATOM 0 H MET A 58 10.855 6.817 20.014 1.00 0.00 H new ATOM 0 HA MET A 58 13.755 6.476 19.606 1.00 0.00 H new ATOM 0 HB2 MET A 58 12.221 7.454 22.056 1.00 0.00 H new ATOM 0 HB3 MET A 58 13.858 6.840 22.166 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.613 8.615 20.591 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.977 9.241 20.531 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.727 9.239 24.244 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.612 7.865 24.056 1.00 0.00 H new ATOM 0 HE3 MET A 58 15.851 8.181 22.818 1.00 0.00 H new ATOM 943 N ARG A 59 11.602 4.733 21.358 1.00 0.00 N ATOM 944 CA ARG A 59 11.329 3.401 21.886 1.00 0.00 C ATOM 945 C ARG A 59 11.209 2.388 20.741 1.00 0.00 C ATOM 946 O ARG A 59 10.857 2.743 19.633 1.00 0.00 O ATOM 947 CB ARG A 59 10.038 3.396 22.712 1.00 0.00 C ATOM 948 CG ARG A 59 10.034 4.365 23.896 1.00 0.00 C ATOM 949 CD ARG A 59 11.185 4.080 24.845 1.00 0.00 C ATOM 950 NE ARG A 59 11.071 4.865 26.078 1.00 0.00 N ATOM 951 CZ ARG A 59 12.101 5.215 26.826 1.00 0.00 C ATOM 952 NH1 ARG A 59 13.335 4.919 26.449 1.00 0.00 N ATOM 953 NH2 ARG A 59 11.886 5.897 27.940 1.00 0.00 N ATOM 0 H ARG A 59 10.856 5.409 21.522 1.00 0.00 H new ATOM 0 HA ARG A 59 12.160 3.118 22.532 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.202 3.641 22.057 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.865 2.387 23.085 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.106 5.389 23.531 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.089 4.284 24.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.202 3.018 25.089 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.130 4.310 24.352 1.00 0.00 H new ATOM 0 HE ARG A 59 10.140 5.158 26.376 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.495 4.417 25.575 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.126 5.193 27.032 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.934 6.145 28.210 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.672 6.174 28.528 1.00 0.00 H new ATOM 967 N PRO A 60 11.519 1.119 21.011 1.00 0.00 N ATOM 968 CA PRO A 60 11.205 0.032 20.089 1.00 0.00 C ATOM 969 C PRO A 60 9.754 -0.362 20.225 1.00 0.00 C ATOM 970 O PRO A 60 8.956 0.402 20.786 1.00 0.00 O ATOM 971 CB PRO A 60 12.112 -1.124 20.558 1.00 0.00 C ATOM 972 CG PRO A 60 12.926 -0.580 21.686 1.00 0.00 C ATOM 973 CD PRO A 60 12.203 0.639 22.211 1.00 0.00 C ATOM 0 HA PRO A 60 11.366 0.302 19.045 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.518 -1.978 20.883 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.752 -1.471 19.747 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.042 -1.327 22.472 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.928 -0.317 21.346 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.503 0.388 23.008 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.892 1.381 22.614 1.00 0.00 H new ATOM 981 N LEU A 61 9.392 -1.544 19.760 1.00 0.00 N ATOM 982 CA LEU A 61 8.038 -2.041 19.920 1.00 0.00 C ATOM 983 C LEU A 61 7.746 -2.409 21.373 1.00 0.00 C ATOM 984 O LEU A 61 6.642 -2.825 21.738 1.00 0.00 O ATOM 985 CB LEU A 61 7.790 -3.239 18.999 1.00 0.00 C ATOM 986 CG LEU A 61 7.182 -2.913 17.631 1.00 0.00 C ATOM 987 CD1 LEU A 61 5.739 -2.463 17.785 1.00 0.00 C ATOM 988 CD2 LEU A 61 8.005 -1.845 16.910 1.00 0.00 C ATOM 0 H LEU A 61 10.019 -2.179 19.267 1.00 0.00 H new ATOM 0 HA LEU A 61 7.355 -1.239 19.638 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.737 -3.754 18.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.129 -3.937 19.512 1.00 0.00 H new ATOM 0 HG LEU A 61 7.199 -3.819 17.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.322 -2.235 16.804 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.157 -3.259 18.251 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.701 -1.572 18.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.554 -1.630 15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.026 -0.935 17.510 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.023 -2.207 16.764 1.00 0.00 H new ATOM 1000 N SER A 62 8.753 -2.212 22.216 1.00 0.00 N ATOM 1001 CA SER A 62 8.622 -2.417 23.648 1.00 0.00 C ATOM 1002 C SER A 62 7.646 -1.411 24.265 1.00 0.00 C ATOM 1003 O SER A 62 7.246 -1.560 25.428 1.00 0.00 O ATOM 1004 CB SER A 62 9.991 -2.271 24.313 1.00 0.00 C ATOM 1005 OG SER A 62 10.955 -3.113 23.698 1.00 0.00 O ATOM 0 H SER A 62 9.681 -1.906 21.923 1.00 0.00 H new ATOM 0 HA SER A 62 8.231 -3.421 23.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.319 -1.233 24.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.912 -2.518 25.372 1.00 0.00 H new ATOM 0 HG SER A 62 11.821 -2.998 24.142 1.00 0.00 H new ATOM 1011 N LEU A 63 7.204 -0.425 23.480 1.00 0.00 N ATOM 1012 CA LEU A 63 6.219 0.545 23.934 1.00 0.00 C ATOM 1013 C LEU A 63 4.870 -0.139 24.130 1.00 0.00 C ATOM 1014 O LEU A 63 3.937 0.426 24.681 1.00 0.00 O ATOM 1015 CB LEU A 63 6.073 1.721 22.938 1.00 0.00 C ATOM 1016 CG LEU A 63 5.139 1.504 21.741 1.00 0.00 C ATOM 1017 CD1 LEU A 63 4.876 2.828 21.016 1.00 0.00 C ATOM 1018 CD2 LEU A 63 5.712 0.496 20.772 1.00 0.00 C ATOM 0 H LEU A 63 7.519 -0.282 22.521 1.00 0.00 H new ATOM 0 HA LEU A 63 6.566 0.953 24.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.720 2.592 23.490 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.064 1.967 22.555 1.00 0.00 H new ATOM 0 HG LEU A 63 4.197 1.114 22.126 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.211 2.654 20.170 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.410 3.533 21.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.819 3.240 20.658 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.026 0.365 19.935 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.673 0.853 20.401 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.851 -0.458 21.280 1.00 0.00 H new ATOM 1030 N ARG A 64 4.796 -1.387 23.654 1.00 0.00 N ATOM 1031 CA ARG A 64 3.605 -2.212 23.840 1.00 0.00 C ATOM 1032 C ARG A 64 3.429 -2.572 25.310 1.00 0.00 C ATOM 1033 O ARG A 64 2.314 -2.836 25.752 1.00 0.00 O ATOM 1034 CB ARG A 64 3.748 -3.488 22.993 1.00 0.00 C ATOM 1035 CG ARG A 64 2.503 -4.370 22.960 1.00 0.00 C ATOM 1036 CD ARG A 64 1.375 -3.728 22.161 1.00 0.00 C ATOM 1037 NE ARG A 64 0.731 -2.618 22.876 1.00 0.00 N ATOM 1038 CZ ARG A 64 -0.570 -2.526 23.085 1.00 0.00 C ATOM 1039 NH1 ARG A 64 -1.391 -3.474 22.649 1.00 0.00 N ATOM 1040 NH2 ARG A 64 -1.046 -1.469 23.746 1.00 0.00 N ATOM 0 H ARG A 64 5.548 -1.844 23.138 1.00 0.00 H new ATOM 0 HA ARG A 64 2.724 -1.655 23.521 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.004 -3.204 21.972 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.582 -4.074 23.379 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.754 -5.336 22.523 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.165 -4.559 23.979 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.770 -3.363 21.213 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.627 -4.485 21.925 1.00 0.00 H new ATOM 0 HE ARG A 64 1.326 -1.871 23.234 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.018 -4.281 22.149 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.394 -3.395 22.815 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.408 -0.747 24.081 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.048 -1.383 23.916 1.00 0.00 H new ATOM 1054 N GLN A 65 4.544 -2.562 26.041 1.00 0.00 N ATOM 1055 CA GLN A 65 4.544 -2.836 27.481 1.00 0.00 C ATOM 1056 C GLN A 65 4.137 -4.274 27.783 1.00 0.00 C ATOM 1057 O GLN A 65 2.954 -4.608 27.779 1.00 0.00 O ATOM 1058 CB GLN A 65 3.629 -1.853 28.219 1.00 0.00 C ATOM 1059 CG GLN A 65 4.016 -0.400 28.016 1.00 0.00 C ATOM 1060 CD GLN A 65 5.324 -0.040 28.685 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.337 0.391 29.836 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.441 -0.188 27.967 1.00 0.00 N ATOM 0 H GLN A 65 5.468 -2.365 25.656 1.00 0.00 H new ATOM 0 HA GLN A 65 5.565 -2.700 27.839 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.603 -1.999 27.880 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.648 -2.081 29.285 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.092 -0.195 26.948 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.225 0.240 28.408 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.391 -0.549 27.014 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.344 0.060 28.372 1.00 0.00 H new ATOM 1071 N HIS A 66 5.112 -5.123 28.061 1.00 0.00 N ATOM 1072 CA HIS A 66 4.853 -6.531 28.300 1.00 0.00 C ATOM 1073 C HIS A 66 4.636 -6.797 29.787 1.00 0.00 C ATOM 1074 O HIS A 66 3.519 -7.040 30.237 1.00 0.00 O ATOM 1075 CB HIS A 66 6.006 -7.395 27.775 1.00 0.00 C ATOM 1076 CG HIS A 66 6.174 -7.325 26.288 1.00 0.00 C ATOM 1077 ND1 HIS A 66 7.245 -6.718 25.688 1.00 0.00 N ATOM 1078 CD2 HIS A 66 5.397 -7.800 25.301 1.00 0.00 C ATOM 1079 CE1 HIS A 66 7.118 -6.822 24.366 1.00 0.00 C ATOM 1080 NE2 HIS A 66 6.005 -7.475 24.114 1.00 0.00 N ATOM 0 H HIS A 66 6.095 -4.859 28.127 1.00 0.00 H new ATOM 0 HA HIS A 66 3.944 -6.799 27.761 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.933 -7.079 28.253 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.835 -8.432 28.065 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.468 -8.337 25.419 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.808 -6.437 23.630 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.650 -7.703 23.185 1.00 0.00 H new ATOM 1089 N MET A 67 5.711 -6.677 30.564 1.00 0.00 N ATOM 1090 CA MET A 67 5.664 -6.940 32.000 1.00 0.00 C ATOM 1091 C MET A 67 5.506 -5.640 32.785 1.00 0.00 C ATOM 1092 O MET A 67 5.504 -5.631 34.013 1.00 0.00 O ATOM 1093 CB MET A 67 6.919 -7.707 32.455 1.00 0.00 C ATOM 1094 CG MET A 67 8.237 -7.071 32.056 1.00 0.00 C ATOM 1095 SD MET A 67 8.630 -5.597 33.023 1.00 0.00 S ATOM 1096 CE MET A 67 10.099 -5.031 32.185 1.00 0.00 C ATOM 0 H MET A 67 6.630 -6.398 30.220 1.00 0.00 H new ATOM 0 HA MET A 67 4.794 -7.564 32.203 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.893 -7.805 33.540 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.880 -8.715 32.043 1.00 0.00 H new ATOM 0 HG2 MET A 67 9.037 -7.801 32.175 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.201 -6.807 30.999 1.00 0.00 H new ATOM 0 HE1 MET A 67 10.465 -4.124 32.666 1.00 0.00 H new ATOM 0 HE2 MET A 67 10.867 -5.803 32.234 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.864 -4.819 31.142 1.00 0.00 H new ATOM 1106 N ASP A 68 5.387 -4.534 32.065 1.00 0.00 N ATOM 1107 CA ASP A 68 5.219 -3.224 32.671 1.00 0.00 C ATOM 1108 C ASP A 68 3.756 -2.987 33.044 1.00 0.00 C ATOM 1109 O ASP A 68 2.910 -3.873 32.890 1.00 0.00 O ATOM 1110 CB ASP A 68 5.695 -2.120 31.721 1.00 0.00 C ATOM 1111 CG ASP A 68 7.172 -2.207 31.425 1.00 0.00 C ATOM 1112 OD1 ASP A 68 7.985 -1.712 32.242 1.00 0.00 O ATOM 1113 OD2 ASP A 68 7.527 -2.766 30.368 1.00 0.00 O ATOM 0 H ASP A 68 5.404 -4.521 31.045 1.00 0.00 H new ATOM 0 HA ASP A 68 5.825 -3.194 33.576 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.137 -2.184 30.787 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.473 -1.147 32.160 1.00 0.00 H new ATOM 1118 N LYS A 69 3.464 -1.801 33.547 1.00 0.00 N ATOM 1119 CA LYS A 69 2.097 -1.432 33.852 1.00 0.00 C ATOM 1120 C LYS A 69 1.710 -0.197 33.035 1.00 0.00 C ATOM 1121 O LYS A 69 2.182 0.908 33.297 1.00 0.00 O ATOM 1122 CB LYS A 69 1.956 -1.139 35.351 1.00 0.00 C ATOM 1123 CG LYS A 69 0.518 -0.866 35.781 1.00 0.00 C ATOM 1124 CD LYS A 69 -0.390 -2.073 35.520 1.00 0.00 C ATOM 1125 CE LYS A 69 -1.827 -1.733 35.841 1.00 0.00 C ATOM 1126 NZ LYS A 69 -2.736 -2.891 35.569 1.00 0.00 N ATOM 0 H LYS A 69 4.155 -1.079 33.752 1.00 0.00 H new ATOM 0 HA LYS A 69 1.432 -2.256 33.594 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.342 -1.986 35.917 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.573 -0.277 35.605 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.496 -0.617 36.842 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.135 0.001 35.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.307 -2.379 34.477 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.066 -2.918 36.127 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.909 -1.443 36.888 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.141 -0.875 35.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.701 -2.542 35.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.402 -3.405 34.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.737 -3.531 36.389 1.00 0.00 H new ATOM 1140 N ALA A 70 0.849 -0.397 32.045 1.00 0.00 N ATOM 1141 CA ALA A 70 0.384 0.683 31.194 1.00 0.00 C ATOM 1142 C ALA A 70 -0.906 0.292 30.497 1.00 0.00 C ATOM 1143 O ALA A 70 -1.058 -0.856 30.056 1.00 0.00 O ATOM 1144 CB ALA A 70 1.453 1.060 30.175 1.00 0.00 C ATOM 0 H ALA A 70 0.457 -1.309 31.813 1.00 0.00 H new ATOM 0 HA ALA A 70 0.186 1.554 31.819 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.086 1.871 29.546 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.354 1.384 30.696 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.684 0.195 29.553 1.00 0.00 H new ATOM 1150 N ALA A 71 -1.837 1.234 30.433 1.00 0.00 N ATOM 1151 CA ALA A 71 -3.139 0.986 29.817 1.00 0.00 C ATOM 1152 C ALA A 71 -3.895 -0.131 30.524 1.00 0.00 C ATOM 1153 O ALA A 71 -4.672 -0.862 29.898 1.00 0.00 O ATOM 1154 CB ALA A 71 -2.985 0.681 28.338 1.00 0.00 C ATOM 0 H ALA A 71 -1.717 2.178 30.800 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.729 1.896 29.922 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.966 0.500 27.900 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.516 1.529 27.839 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.362 -0.205 28.212 1.00 0.00 H new ATOM 1160 N GLY A 72 -3.688 -0.269 31.835 1.00 0.00 N ATOM 1161 CA GLY A 72 -4.353 -1.303 32.599 1.00 0.00 C ATOM 1162 C GLY A 72 -4.895 -0.782 33.932 1.00 0.00 C ATOM 1163 O GLY A 72 -5.218 0.429 34.004 1.00 0.00 O ATOM 1164 OXT GLY A 72 -4.969 -1.560 34.896 1.00 0.00 O ATOM 0 H GLY A 72 -3.064 0.326 32.381 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.174 -1.715 32.012 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.655 -2.119 32.787 1.00 0.00 H new TER 1168 GLY A 72