USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 999 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 12 HIS : no HD1:sc= -0.517 K(o=-0.059,f=-4.1!) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.458 K(o=-0.059,f=-3.3) USER MOD Set 2.1: A 74 SER OG : rot -36:sc= 0.472 USER MOD Set 2.2: A 88 GLN :FLIP amide:sc= 0.447 F(o=-0.57,f=0.92) USER MOD Set 3.1: A 37 SER OG : rot 139:sc= 0.00244 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-4.8!) USER MOD Set 4.1: A 34 HIS : no HD1:sc= 1.09 K(o=2.4,f=-7.5!) USER MOD Set 4.2: A 121 SER OG : rot -114:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 0.102 USER MOD Single : A 4 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.62) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 20 SER OG : rot 59:sc= 0.103 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.95 F(o=-2.8!,f=-2) USER MOD Single : A 45 GLN : amide:sc= -1.79 K(o=-1.8,f=-5.1!) USER MOD Single : A 47 GLN : amide:sc= 2.06 K(o=2.1,f=-6.6!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.62) USER MOD Single : A 62 TYR OH : rot -134:sc= -0.533! USER MOD Single : A 71 MET CE :methyl -170:sc= -0.015 (180deg=-0.172) USER MOD Single : A 87 CYS SG : rot 40:sc= -0.513 USER MOD Single : A 89 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=0) USER MOD Single : A 94 SER OG : rot 66:sc= 1.96 USER MOD Single : A 96 SER OG : rot 70:sc= 1.25 USER MOD Single : A 97 HIS : no HD1:sc= -0.332 K(o=-0.33,f=-3.3!) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.0611 F(o=-0.59,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.730 23.562 -25.569 1.00 0.00 N ATOM 2 CA MET A 1 -15.604 23.393 -26.512 1.00 0.00 C ATOM 3 C MET A 1 -14.820 22.131 -26.174 1.00 0.00 C ATOM 4 O MET A 1 -13.968 22.137 -25.287 1.00 0.00 O ATOM 5 CB MET A 1 -14.682 24.619 -26.470 1.00 0.00 C ATOM 6 CG MET A 1 -13.459 24.499 -27.368 1.00 0.00 C ATOM 7 SD MET A 1 -13.887 24.267 -29.105 1.00 0.00 S ATOM 8 CE MET A 1 -12.258 24.194 -29.849 1.00 0.00 C ATOM 0 H1 MET A 1 -17.257 24.426 -25.809 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.364 22.740 -25.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.362 23.639 -24.599 1.00 0.00 H new ATOM 0 HA MET A 1 -16.006 23.296 -27.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.252 25.501 -26.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.353 24.780 -25.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.849 25.397 -27.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.849 23.660 -27.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.356 24.053 -30.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.726 25.125 -29.652 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.700 23.360 -29.423 1.00 0.00 H new ATOM 18 N SER A 2 -15.128 21.044 -26.863 1.00 0.00 N ATOM 19 CA SER A 2 -14.451 19.782 -26.620 1.00 0.00 C ATOM 20 C SER A 2 -14.213 19.021 -27.924 1.00 0.00 C ATOM 21 O SER A 2 -14.950 18.093 -28.267 1.00 0.00 O ATOM 22 CB SER A 2 -15.259 18.933 -25.637 1.00 0.00 C ATOM 23 OG SER A 2 -16.624 18.861 -26.025 1.00 0.00 O ATOM 0 H SER A 2 -15.840 21.011 -27.592 1.00 0.00 H new ATOM 0 HA SER A 2 -13.477 19.996 -26.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.838 17.929 -25.588 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.184 19.359 -24.637 1.00 0.00 H new ATOM 0 HG SER A 2 -16.683 18.586 -26.964 1.00 0.00 H new ATOM 29 N ASP A 3 -13.192 19.434 -28.657 1.00 0.00 N ATOM 30 CA ASP A 3 -12.824 18.771 -29.900 1.00 0.00 C ATOM 31 C ASP A 3 -11.338 18.945 -30.167 1.00 0.00 C ATOM 32 O ASP A 3 -10.848 20.068 -30.274 1.00 0.00 O ATOM 33 CB ASP A 3 -13.635 19.321 -31.077 1.00 0.00 C ATOM 34 CG ASP A 3 -13.217 18.715 -32.405 1.00 0.00 C ATOM 35 OD1 ASP A 3 -12.790 19.472 -33.304 1.00 0.00 O ATOM 36 OD2 ASP A 3 -13.306 17.478 -32.556 1.00 0.00 O ATOM 0 H ASP A 3 -12.601 20.228 -28.413 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.047 17.709 -29.797 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.694 19.124 -30.908 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.516 20.404 -31.122 1.00 0.00 H new ATOM 41 N GLN A 4 -10.625 17.833 -30.244 1.00 0.00 N ATOM 42 CA GLN A 4 -9.201 17.858 -30.544 1.00 0.00 C ATOM 43 C GLN A 4 -8.996 17.902 -32.047 1.00 0.00 C ATOM 44 O GLN A 4 -9.410 16.987 -32.762 1.00 0.00 O ATOM 45 CB GLN A 4 -8.483 16.625 -29.980 1.00 0.00 C ATOM 46 CG GLN A 4 -8.324 16.603 -28.466 1.00 0.00 C ATOM 47 CD GLN A 4 -9.641 16.515 -27.723 1.00 0.00 C ATOM 48 OE1 GLN A 4 -10.219 17.532 -27.330 1.00 0.00 O ATOM 49 NE2 GLN A 4 -10.139 15.302 -27.549 1.00 0.00 N ATOM 0 H GLN A 4 -11.010 16.899 -30.103 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.779 18.748 -30.076 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.032 15.734 -30.285 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.494 16.561 -30.434 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.700 15.754 -28.186 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.797 17.503 -28.151 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.628 14.487 -27.890 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.034 15.181 -27.074 1.00 0.00 H new ATOM 58 N HIS A 5 -8.391 18.969 -32.534 1.00 0.00 N ATOM 59 CA HIS A 5 -8.082 19.064 -33.951 1.00 0.00 C ATOM 60 C HIS A 5 -6.599 18.812 -34.187 1.00 0.00 C ATOM 61 O HIS A 5 -6.218 17.809 -34.785 1.00 0.00 O ATOM 62 CB HIS A 5 -8.482 20.429 -34.513 1.00 0.00 C ATOM 63 CG HIS A 5 -8.260 20.537 -35.988 1.00 0.00 C ATOM 64 ND1 HIS A 5 -7.409 21.457 -36.563 1.00 0.00 N ATOM 65 CD2 HIS A 5 -8.783 19.823 -37.009 1.00 0.00 C ATOM 66 CE1 HIS A 5 -7.420 21.302 -37.872 1.00 0.00 C ATOM 67 NE2 HIS A 5 -8.245 20.317 -38.167 1.00 0.00 N ATOM 0 H HIS A 5 -8.106 19.775 -31.978 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.659 18.301 -34.473 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.534 20.613 -34.294 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.911 21.207 -34.006 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.493 19.013 -36.927 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.850 21.883 -38.582 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.450 19.978 -39.107 1.00 0.00 H new ATOM 76 N ASP A 6 -5.771 19.725 -33.709 1.00 0.00 N ATOM 77 CA ASP A 6 -4.329 19.615 -33.884 1.00 0.00 C ATOM 78 C ASP A 6 -3.643 19.617 -32.524 1.00 0.00 C ATOM 79 O ASP A 6 -2.428 19.439 -32.415 1.00 0.00 O ATOM 80 CB ASP A 6 -3.812 20.766 -34.753 1.00 0.00 C ATOM 81 CG ASP A 6 -2.349 20.617 -35.122 1.00 0.00 C ATOM 82 OD1 ASP A 6 -2.016 19.692 -35.893 1.00 0.00 O ATOM 83 OD2 ASP A 6 -1.526 21.437 -34.659 1.00 0.00 O ATOM 0 H ASP A 6 -6.071 20.553 -33.195 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.100 18.677 -34.389 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.407 20.822 -35.664 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.953 21.707 -34.222 1.00 0.00 H new ATOM 88 N GLU A 7 -4.442 19.810 -31.483 1.00 0.00 N ATOM 89 CA GLU A 7 -3.940 19.830 -30.118 1.00 0.00 C ATOM 90 C GLU A 7 -3.655 18.407 -29.648 1.00 0.00 C ATOM 91 O GLU A 7 -4.383 17.855 -28.820 1.00 0.00 O ATOM 92 CB GLU A 7 -4.941 20.494 -29.160 1.00 0.00 C ATOM 93 CG GLU A 7 -5.642 21.726 -29.722 1.00 0.00 C ATOM 94 CD GLU A 7 -6.795 21.371 -30.641 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.867 20.989 -30.132 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.630 21.461 -31.875 1.00 0.00 O ATOM 0 H GLU A 7 -5.449 19.956 -31.561 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.020 20.414 -30.110 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.696 19.760 -28.880 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.417 20.776 -28.247 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.013 22.336 -28.898 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.920 22.333 -30.268 1.00 0.00 H new ATOM 103 N ARG A 8 -2.615 17.809 -30.206 1.00 0.00 N ATOM 104 CA ARG A 8 -2.244 16.454 -29.853 1.00 0.00 C ATOM 105 C ARG A 8 -1.477 16.461 -28.540 1.00 0.00 C ATOM 106 O ARG A 8 -0.277 16.724 -28.507 1.00 0.00 O ATOM 107 CB ARG A 8 -1.417 15.810 -30.969 1.00 0.00 C ATOM 108 CG ARG A 8 -1.333 14.297 -30.862 1.00 0.00 C ATOM 109 CD ARG A 8 -0.683 13.690 -32.093 1.00 0.00 C ATOM 110 NE ARG A 8 -0.797 12.233 -32.104 1.00 0.00 N ATOM 111 CZ ARG A 8 -0.768 11.489 -33.209 1.00 0.00 C ATOM 112 NH1 ARG A 8 -0.614 12.053 -34.401 1.00 0.00 N ATOM 113 NH2 ARG A 8 -0.904 10.176 -33.122 1.00 0.00 N ATOM 0 H ARG A 8 -2.014 18.244 -30.906 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.148 15.858 -29.728 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.852 16.075 -31.933 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.409 16.225 -30.950 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.761 14.025 -29.975 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.334 13.883 -30.736 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.150 14.098 -32.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.369 13.973 -32.125 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.906 11.756 -31.209 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.516 13.065 -34.477 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.593 11.474 -35.240 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.031 9.736 -32.211 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.882 9.604 -33.966 1.00 0.00 H new ATOM 127 N ARG A 9 -2.203 16.208 -27.462 1.00 0.00 N ATOM 128 CA ARG A 9 -1.646 16.260 -26.117 1.00 0.00 C ATOM 129 C ARG A 9 -0.641 15.133 -25.907 1.00 0.00 C ATOM 130 O ARG A 9 -0.745 14.072 -26.525 1.00 0.00 O ATOM 131 CB ARG A 9 -2.780 16.184 -25.090 1.00 0.00 C ATOM 132 CG ARG A 9 -3.875 17.207 -25.350 1.00 0.00 C ATOM 133 CD ARG A 9 -5.053 17.042 -24.404 1.00 0.00 C ATOM 134 NE ARG A 9 -6.207 17.831 -24.839 1.00 0.00 N ATOM 135 CZ ARG A 9 -7.352 17.923 -24.158 1.00 0.00 C ATOM 136 NH1 ARG A 9 -7.472 17.334 -22.974 1.00 0.00 N ATOM 137 NH2 ARG A 9 -8.369 18.618 -24.656 1.00 0.00 N ATOM 0 H ARG A 9 -3.192 15.961 -27.493 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.116 17.203 -25.985 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.212 15.183 -25.105 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.372 16.340 -24.091 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.464 18.211 -25.244 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.222 17.112 -26.379 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.331 15.990 -24.348 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.760 17.348 -23.400 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.132 18.343 -25.718 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.689 16.810 -22.583 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.347 17.405 -22.455 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.276 19.082 -25.560 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.243 18.687 -24.135 1.00 0.00 H new ATOM 151 N ARG A 10 0.331 15.372 -25.040 1.00 0.00 N ATOM 152 CA ARG A 10 1.421 14.429 -24.835 1.00 0.00 C ATOM 153 C ARG A 10 0.937 13.205 -24.070 1.00 0.00 C ATOM 154 O ARG A 10 0.378 13.315 -22.982 1.00 0.00 O ATOM 155 CB ARG A 10 2.582 15.111 -24.103 1.00 0.00 C ATOM 156 CG ARG A 10 3.028 16.399 -24.780 1.00 0.00 C ATOM 157 CD ARG A 10 3.412 16.158 -26.229 1.00 0.00 C ATOM 158 NE ARG A 10 3.179 17.337 -27.062 1.00 0.00 N ATOM 159 CZ ARG A 10 3.051 17.294 -28.389 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.244 16.153 -29.040 1.00 0.00 N ATOM 161 NH2 ARG A 10 2.748 18.397 -29.062 1.00 0.00 N ATOM 0 H ARG A 10 0.388 16.213 -24.466 1.00 0.00 H new ATOM 0 HA ARG A 10 1.779 14.094 -25.808 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.282 15.329 -23.078 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.426 14.423 -24.048 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.225 17.134 -24.732 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.877 16.820 -24.242 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.464 15.878 -26.283 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.838 15.318 -26.621 1.00 0.00 H new ATOM 0 HE ARG A 10 3.110 18.245 -26.602 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.491 15.308 -28.525 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.146 16.122 -30.055 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.613 19.277 -28.564 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.650 18.365 -30.077 1.00 0.00 H new ATOM 175 N PHE A 11 1.170 12.033 -24.649 1.00 0.00 N ATOM 176 CA PHE A 11 0.652 10.784 -24.102 1.00 0.00 C ATOM 177 C PHE A 11 1.516 10.245 -22.961 1.00 0.00 C ATOM 178 O PHE A 11 1.360 9.096 -22.549 1.00 0.00 O ATOM 179 CB PHE A 11 0.504 9.733 -25.212 1.00 0.00 C ATOM 180 CG PHE A 11 1.743 9.528 -26.046 1.00 0.00 C ATOM 181 CD1 PHE A 11 1.961 10.291 -27.183 1.00 0.00 C ATOM 182 CD2 PHE A 11 2.678 8.567 -25.700 1.00 0.00 C ATOM 183 CE1 PHE A 11 3.092 10.104 -27.954 1.00 0.00 C ATOM 184 CE2 PHE A 11 3.812 8.375 -26.467 1.00 0.00 C ATOM 185 CZ PHE A 11 4.017 9.143 -27.596 1.00 0.00 C ATOM 0 H PHE A 11 1.718 11.921 -25.502 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.331 10.999 -23.682 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.224 8.782 -24.760 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.316 10.028 -25.867 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.238 11.040 -27.469 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.519 7.960 -24.821 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.252 10.708 -28.835 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.536 7.626 -26.184 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.900 8.992 -28.199 1.00 0.00 H new ATOM 195 N HIS A 12 2.415 11.075 -22.439 1.00 0.00 N ATOM 196 CA HIS A 12 3.185 10.698 -21.259 1.00 0.00 C ATOM 197 C HIS A 12 2.303 10.843 -20.027 1.00 0.00 C ATOM 198 O HIS A 12 2.312 11.871 -19.354 1.00 0.00 O ATOM 199 CB HIS A 12 4.457 11.548 -21.115 1.00 0.00 C ATOM 200 CG HIS A 12 5.323 11.151 -19.950 1.00 0.00 C ATOM 201 ND1 HIS A 12 6.249 10.133 -20.011 1.00 0.00 N ATOM 202 CD2 HIS A 12 5.395 11.640 -18.685 1.00 0.00 C ATOM 203 CE1 HIS A 12 6.852 10.014 -18.843 1.00 0.00 C ATOM 204 NE2 HIS A 12 6.351 10.913 -18.018 1.00 0.00 N ATOM 0 H HIS A 12 2.626 12.002 -22.809 1.00 0.00 H new ATOM 0 HA HIS A 12 3.505 9.661 -21.367 1.00 0.00 H new ATOM 0 HB2 HIS A 12 5.040 11.471 -22.033 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.173 12.595 -21.005 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.809 12.451 -18.278 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.626 9.300 -18.603 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.628 11.046 -17.045 1.00 0.00 H new ATOM 213 N ARG A 13 1.517 9.816 -19.767 1.00 0.00 N ATOM 214 CA ARG A 13 0.557 9.841 -18.682 1.00 0.00 C ATOM 215 C ARG A 13 1.022 8.907 -17.570 1.00 0.00 C ATOM 216 O ARG A 13 2.149 8.408 -17.610 1.00 0.00 O ATOM 217 CB ARG A 13 -0.811 9.426 -19.224 1.00 0.00 C ATOM 218 CG ARG A 13 -1.992 9.947 -18.422 1.00 0.00 C ATOM 219 CD ARG A 13 -3.302 9.697 -19.155 1.00 0.00 C ATOM 220 NE ARG A 13 -3.570 8.272 -19.336 1.00 0.00 N ATOM 221 CZ ARG A 13 -3.484 7.636 -20.506 1.00 0.00 C ATOM 222 NH1 ARG A 13 -3.145 8.304 -21.605 1.00 0.00 N ATOM 223 NH2 ARG A 13 -3.739 6.336 -20.573 1.00 0.00 N ATOM 0 H ARG A 13 1.526 8.946 -20.299 1.00 0.00 H new ATOM 0 HA ARG A 13 0.476 10.845 -18.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.902 9.778 -20.252 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.861 8.338 -19.254 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.018 9.459 -17.447 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.870 11.015 -18.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.121 10.151 -18.597 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.270 10.186 -20.129 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.840 7.729 -18.516 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.950 9.304 -21.554 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.080 7.816 -22.498 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.001 5.824 -19.731 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.674 5.849 -21.467 1.00 0.00 H new ATOM 237 N ILE A 14 0.172 8.670 -16.580 1.00 0.00 N ATOM 238 CA ILE A 14 0.549 7.828 -15.459 1.00 0.00 C ATOM 239 C ILE A 14 0.462 6.356 -15.843 1.00 0.00 C ATOM 240 O ILE A 14 -0.578 5.718 -15.697 1.00 0.00 O ATOM 241 CB ILE A 14 -0.330 8.091 -14.218 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.369 9.584 -13.892 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.204 7.315 -13.025 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.975 10.154 -13.502 1.00 0.00 C ATOM 0 H ILE A 14 -0.775 9.046 -16.532 1.00 0.00 H new ATOM 0 HA ILE A 14 1.579 8.079 -15.203 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.344 7.756 -14.438 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.747 10.127 -14.759 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.075 9.751 -13.079 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.424 7.508 -12.155 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.194 6.249 -13.250 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.225 7.631 -12.813 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.870 11.217 -13.285 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.346 9.638 -12.617 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.679 10.019 -14.323 1.00 0.00 H new ATOM 256 N ALA A 15 1.563 5.841 -16.359 1.00 0.00 N ATOM 257 CA ALA A 15 1.667 4.442 -16.728 1.00 0.00 C ATOM 258 C ALA A 15 3.127 4.024 -16.729 1.00 0.00 C ATOM 259 O ALA A 15 3.842 4.213 -17.714 1.00 0.00 O ATOM 260 CB ALA A 15 1.032 4.188 -18.090 1.00 0.00 C ATOM 0 H ALA A 15 2.410 6.381 -16.534 1.00 0.00 H new ATOM 0 HA ALA A 15 1.125 3.844 -15.995 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.124 3.132 -18.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.022 4.463 -18.057 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.540 4.787 -18.846 1.00 0.00 H new ATOM 266 N PHE A 16 3.577 3.498 -15.606 1.00 0.00 N ATOM 267 CA PHE A 16 4.964 3.095 -15.466 1.00 0.00 C ATOM 268 C PHE A 16 5.118 1.638 -15.855 1.00 0.00 C ATOM 269 O PHE A 16 4.166 0.861 -15.755 1.00 0.00 O ATOM 270 CB PHE A 16 5.445 3.270 -14.020 1.00 0.00 C ATOM 271 CG PHE A 16 4.844 4.447 -13.304 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.260 5.740 -13.577 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.859 4.251 -12.350 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.703 6.815 -12.911 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.300 5.318 -11.682 1.00 0.00 C ATOM 276 CZ PHE A 16 3.720 6.604 -11.963 1.00 0.00 C ATOM 0 H PHE A 16 3.003 3.340 -14.778 1.00 0.00 H new ATOM 0 HA PHE A 16 5.564 3.727 -16.121 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.214 2.363 -13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.530 3.376 -14.021 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.027 5.909 -14.318 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.525 3.248 -12.127 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.035 7.819 -13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.534 5.150 -10.939 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.281 7.442 -11.443 1.00 0.00 H new ATOM 286 N ASP A 17 6.306 1.264 -16.297 1.00 0.00 N ATOM 287 CA ASP A 17 6.605 -0.137 -16.527 1.00 0.00 C ATOM 288 C ASP A 17 6.867 -0.804 -15.184 1.00 0.00 C ATOM 289 O ASP A 17 8.010 -0.982 -14.764 1.00 0.00 O ATOM 290 CB ASP A 17 7.807 -0.300 -17.460 1.00 0.00 C ATOM 291 CG ASP A 17 8.054 -1.747 -17.831 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.065 -2.320 -17.375 1.00 0.00 O ATOM 293 OD2 ASP A 17 7.242 -2.318 -18.589 1.00 0.00 O ATOM 0 H ASP A 17 7.073 1.905 -16.502 1.00 0.00 H new ATOM 0 HA ASP A 17 5.755 -0.613 -17.015 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.642 0.282 -18.367 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.696 0.106 -16.978 1.00 0.00 H new ATOM 298 N ALA A 18 5.786 -1.107 -14.483 1.00 0.00 N ATOM 299 CA ALA A 18 5.865 -1.628 -13.134 1.00 0.00 C ATOM 300 C ALA A 18 5.096 -2.930 -13.019 1.00 0.00 C ATOM 301 O ALA A 18 4.005 -3.065 -13.576 1.00 0.00 O ATOM 302 CB ALA A 18 5.316 -0.601 -12.151 1.00 0.00 C ATOM 0 H ALA A 18 4.835 -0.998 -14.834 1.00 0.00 H new ATOM 0 HA ALA A 18 6.910 -1.826 -12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.378 -0.998 -11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.902 0.316 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.275 -0.385 -12.393 1.00 0.00 H new ATOM 308 N ASP A 19 5.673 -3.892 -12.312 1.00 0.00 N ATOM 309 CA ASP A 19 4.999 -5.155 -12.059 1.00 0.00 C ATOM 310 C ASP A 19 3.754 -4.893 -11.229 1.00 0.00 C ATOM 311 O ASP A 19 3.842 -4.386 -10.111 1.00 0.00 O ATOM 312 CB ASP A 19 5.916 -6.129 -11.311 1.00 0.00 C ATOM 313 CG ASP A 19 7.259 -6.319 -11.984 1.00 0.00 C ATOM 314 OD1 ASP A 19 8.146 -5.454 -11.808 1.00 0.00 O ATOM 315 OD2 ASP A 19 7.447 -7.340 -12.678 1.00 0.00 O ATOM 0 H ASP A 19 6.605 -3.821 -11.904 1.00 0.00 H new ATOM 0 HA ASP A 19 4.730 -5.606 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.074 -5.763 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.418 -7.095 -11.228 1.00 0.00 H new ATOM 320 N SER A 20 2.600 -5.208 -11.787 1.00 0.00 N ATOM 321 CA SER A 20 1.342 -4.949 -11.115 1.00 0.00 C ATOM 322 C SER A 20 0.631 -6.258 -10.796 1.00 0.00 C ATOM 323 O SER A 20 0.224 -6.993 -11.697 1.00 0.00 O ATOM 324 CB SER A 20 0.462 -4.057 -11.992 1.00 0.00 C ATOM 325 OG SER A 20 1.159 -2.885 -12.386 1.00 0.00 O ATOM 0 H SER A 20 2.509 -5.644 -12.705 1.00 0.00 H new ATOM 0 HA SER A 20 1.540 -4.433 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.144 -4.610 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.441 -3.782 -11.447 1.00 0.00 H new ATOM 0 HG SER A 20 1.967 -3.136 -12.880 1.00 0.00 H new ATOM 331 N GLU A 21 0.512 -6.563 -9.512 1.00 0.00 N ATOM 332 CA GLU A 21 -0.184 -7.767 -9.081 1.00 0.00 C ATOM 333 C GLU A 21 -1.396 -7.400 -8.237 1.00 0.00 C ATOM 334 O GLU A 21 -1.274 -6.682 -7.248 1.00 0.00 O ATOM 335 CB GLU A 21 0.737 -8.681 -8.265 1.00 0.00 C ATOM 336 CG GLU A 21 2.054 -9.016 -8.943 1.00 0.00 C ATOM 337 CD GLU A 21 2.844 -10.059 -8.181 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.212 -9.807 -7.011 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.103 -11.143 -8.744 1.00 0.00 O ATOM 0 H GLU A 21 0.887 -5.995 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.504 -8.301 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.947 -8.203 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.208 -9.609 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.859 -9.377 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.652 -8.109 -9.039 1.00 0.00 H new ATOM 346 N ILE A 22 -2.559 -7.884 -8.631 1.00 0.00 N ATOM 347 CA ILE A 22 -3.762 -7.706 -7.839 1.00 0.00 C ATOM 348 C ILE A 22 -3.990 -8.948 -7.000 1.00 0.00 C ATOM 349 O ILE A 22 -4.138 -10.043 -7.531 1.00 0.00 O ATOM 350 CB ILE A 22 -5.001 -7.428 -8.718 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.822 -6.112 -9.474 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.265 -7.388 -7.869 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.955 -5.793 -10.425 1.00 0.00 C ATOM 0 H ILE A 22 -2.696 -8.405 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.621 -6.836 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.103 -8.237 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.726 -5.300 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.889 -6.151 -10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.126 -7.191 -8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.397 -8.347 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.178 -6.598 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.755 -4.845 -10.924 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.038 -6.584 -11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.889 -5.720 -9.867 1.00 0.00 H new ATOM 365 N LEU A 23 -3.987 -8.786 -5.694 1.00 0.00 N ATOM 366 CA LEU A 23 -4.080 -9.924 -4.797 1.00 0.00 C ATOM 367 C LEU A 23 -5.448 -9.994 -4.149 1.00 0.00 C ATOM 368 O LEU A 23 -6.134 -8.981 -4.002 1.00 0.00 O ATOM 369 CB LEU A 23 -3.016 -9.833 -3.700 1.00 0.00 C ATOM 370 CG LEU A 23 -1.595 -9.530 -4.173 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.652 -9.478 -2.986 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.121 -10.562 -5.185 1.00 0.00 C ATOM 0 H LEU A 23 -3.921 -7.881 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.918 -10.823 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.316 -9.059 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.003 -10.776 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.599 -8.558 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.358 -9.262 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.975 -8.696 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.661 -10.439 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.107 -10.320 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.132 -11.551 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.784 -10.555 -6.050 1.00 0.00 H new ATOM 384 N GLN A 24 -5.841 -11.198 -3.786 1.00 0.00 N ATOM 385 CA GLN A 24 -7.026 -11.405 -2.981 1.00 0.00 C ATOM 386 C GLN A 24 -6.842 -12.649 -2.131 1.00 0.00 C ATOM 387 O GLN A 24 -7.152 -13.765 -2.564 1.00 0.00 O ATOM 388 CB GLN A 24 -8.275 -11.538 -3.846 1.00 0.00 C ATOM 389 CG GLN A 24 -9.560 -11.523 -3.040 1.00 0.00 C ATOM 390 CD GLN A 24 -10.786 -11.788 -3.884 1.00 0.00 C ATOM 391 OE1 GLN A 24 -11.901 -11.191 -3.503 1.00 0.00 O flip ATOM 392 NE2 GLN A 24 -10.734 -12.520 -4.872 1.00 0.00 N flip ATOM 0 H GLN A 24 -5.351 -12.056 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.164 -10.535 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.297 -10.723 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.220 -12.467 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.498 -12.274 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.665 -10.555 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.853 -12.963 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.572 -12.684 -5.430 1.00 0.00 H new ATOM 401 N GLY A 25 -6.282 -12.457 -0.945 1.00 0.00 N ATOM 402 CA GLY A 25 -6.038 -13.566 -0.047 1.00 0.00 C ATOM 403 C GLY A 25 -4.915 -14.465 -0.528 1.00 0.00 C ATOM 404 O GLY A 25 -3.766 -14.311 -0.114 1.00 0.00 O ATOM 0 H GLY A 25 -5.991 -11.547 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.793 -13.181 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.950 -14.153 0.057 1.00 0.00 H new ATOM 408 N GLU A 26 -5.253 -15.392 -1.415 1.00 0.00 N ATOM 409 CA GLU A 26 -4.292 -16.364 -1.920 1.00 0.00 C ATOM 410 C GLU A 26 -3.992 -16.124 -3.396 1.00 0.00 C ATOM 411 O GLU A 26 -2.910 -16.444 -3.880 1.00 0.00 O ATOM 412 CB GLU A 26 -4.845 -17.780 -1.763 1.00 0.00 C ATOM 413 CG GLU A 26 -5.405 -18.084 -0.386 1.00 0.00 C ATOM 414 CD GLU A 26 -6.144 -19.402 -0.359 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.694 -20.333 0.342 1.00 0.00 O ATOM 416 OE2 GLU A 26 -7.170 -19.522 -1.061 1.00 0.00 O ATOM 0 H GLU A 26 -6.192 -15.491 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.374 -16.250 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.630 -17.935 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.052 -18.494 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.592 -18.108 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.079 -17.283 -0.083 1.00 0.00 H new ATOM 423 N ARG A 27 -4.953 -15.550 -4.107 1.00 0.00 N ATOM 424 CA ARG A 27 -4.866 -15.459 -5.557 1.00 0.00 C ATOM 425 C ARG A 27 -4.108 -14.215 -5.991 1.00 0.00 C ATOM 426 O ARG A 27 -4.286 -13.135 -5.423 1.00 0.00 O ATOM 427 CB ARG A 27 -6.263 -15.487 -6.175 1.00 0.00 C ATOM 428 CG ARG A 27 -6.991 -16.798 -5.927 1.00 0.00 C ATOM 429 CD ARG A 27 -8.387 -16.799 -6.525 1.00 0.00 C ATOM 430 NE ARG A 27 -9.078 -18.059 -6.261 1.00 0.00 N ATOM 431 CZ ARG A 27 -10.402 -18.198 -6.228 1.00 0.00 C ATOM 432 NH1 ARG A 27 -11.194 -17.160 -6.480 1.00 0.00 N ATOM 433 NH2 ARG A 27 -10.924 -19.384 -5.942 1.00 0.00 N ATOM 0 H ARG A 27 -5.797 -15.142 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.308 -16.324 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.853 -14.666 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.184 -15.318 -7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.414 -17.619 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.057 -16.978 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.963 -15.972 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.324 -16.635 -7.601 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.508 -18.888 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.788 -16.250 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.207 -17.273 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.312 -20.178 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.937 -19.502 -5.914 1.00 0.00 H new ATOM 447 N ARG A 28 -3.256 -14.385 -6.994 1.00 0.00 N ATOM 448 CA ARG A 28 -2.396 -13.311 -7.467 1.00 0.00 C ATOM 449 C ARG A 28 -2.585 -13.090 -8.963 1.00 0.00 C ATOM 450 O ARG A 28 -2.219 -13.940 -9.777 1.00 0.00 O ATOM 451 CB ARG A 28 -0.933 -13.648 -7.166 1.00 0.00 C ATOM 452 CG ARG A 28 -0.686 -14.004 -5.707 1.00 0.00 C ATOM 453 CD ARG A 28 0.753 -14.424 -5.465 1.00 0.00 C ATOM 454 NE ARG A 28 0.955 -14.910 -4.101 1.00 0.00 N ATOM 455 CZ ARG A 28 1.465 -16.105 -3.806 1.00 0.00 C ATOM 456 NH1 ARG A 28 1.863 -16.919 -4.775 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.594 -16.475 -2.540 1.00 0.00 N ATOM 0 H ARG A 28 -3.143 -15.264 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.668 -12.392 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.623 -14.483 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.308 -12.797 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.925 -13.146 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.355 -14.812 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.028 -15.205 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.415 -13.578 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 28 0.690 -14.298 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.779 -16.631 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.253 -17.833 -4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.303 -15.845 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.984 -17.390 -2.313 1.00 0.00 H new ATOM 471 N TRP A 29 -3.166 -11.956 -9.314 1.00 0.00 N ATOM 472 CA TRP A 29 -3.415 -11.613 -10.703 1.00 0.00 C ATOM 473 C TRP A 29 -2.340 -10.680 -11.243 1.00 0.00 C ATOM 474 O TRP A 29 -2.296 -9.499 -10.897 1.00 0.00 O ATOM 475 CB TRP A 29 -4.782 -10.946 -10.855 1.00 0.00 C ATOM 476 CG TRP A 29 -5.938 -11.883 -10.692 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.487 -12.671 -11.660 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.702 -12.119 -9.501 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.541 -13.382 -11.147 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.695 -13.062 -9.826 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.647 -11.626 -8.195 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.620 -13.523 -8.894 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.564 -12.082 -7.270 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.540 -13.022 -7.623 1.00 0.00 C ATOM 0 H TRP A 29 -3.477 -11.250 -8.647 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.396 -12.540 -11.276 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.869 -10.147 -10.119 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.841 -10.481 -11.839 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.142 -12.727 -12.682 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.118 -14.043 -11.667 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.899 -10.900 -7.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.373 -14.249 -9.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.528 -11.708 -6.258 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.244 -13.359 -6.877 1.00 0.00 H new ATOM 495 N GLU A 30 -1.465 -11.222 -12.073 1.00 0.00 N ATOM 496 CA GLU A 30 -0.487 -10.416 -12.786 1.00 0.00 C ATOM 497 C GLU A 30 -1.197 -9.613 -13.874 1.00 0.00 C ATOM 498 O GLU A 30 -1.686 -10.181 -14.852 1.00 0.00 O ATOM 499 CB GLU A 30 0.587 -11.317 -13.397 1.00 0.00 C ATOM 500 CG GLU A 30 1.719 -10.563 -14.070 1.00 0.00 C ATOM 501 CD GLU A 30 2.746 -11.498 -14.671 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.663 -11.775 -15.885 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.623 -11.978 -13.923 1.00 0.00 O ATOM 0 H GLU A 30 -1.412 -12.221 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.002 -9.728 -12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.002 -11.951 -12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.120 -11.977 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.312 -9.921 -14.851 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.204 -9.912 -13.342 1.00 0.00 H new ATOM 510 N VAL A 31 -1.269 -8.304 -13.699 1.00 0.00 N ATOM 511 CA VAL A 31 -2.074 -7.474 -14.580 1.00 0.00 C ATOM 512 C VAL A 31 -1.254 -6.330 -15.178 1.00 0.00 C ATOM 513 O VAL A 31 -0.256 -5.898 -14.604 1.00 0.00 O ATOM 514 CB VAL A 31 -3.302 -6.913 -13.825 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.880 -5.935 -12.739 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.288 -6.265 -14.785 1.00 0.00 C ATOM 0 H VAL A 31 -0.783 -7.796 -12.960 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.419 -8.104 -15.400 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.805 -7.752 -13.344 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.764 -5.557 -12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.234 -6.443 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.339 -5.103 -13.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.141 -5.880 -14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.799 -5.445 -15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.632 -7.005 -15.507 1.00 0.00 H new ATOM 526 N LEU A 32 -1.677 -5.862 -16.345 1.00 0.00 N ATOM 527 CA LEU A 32 -1.038 -4.731 -17.001 1.00 0.00 C ATOM 528 C LEU A 32 -1.705 -3.416 -16.600 1.00 0.00 C ATOM 529 O LEU A 32 -2.932 -3.331 -16.488 1.00 0.00 O ATOM 530 CB LEU A 32 -1.047 -4.911 -18.527 1.00 0.00 C ATOM 531 CG LEU A 32 -2.226 -5.708 -19.110 1.00 0.00 C ATOM 532 CD1 LEU A 32 -3.526 -4.922 -19.035 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.931 -6.109 -20.545 1.00 0.00 C ATOM 0 H LEU A 32 -2.466 -6.253 -16.859 1.00 0.00 H new ATOM 0 HA LEU A 32 0.000 -4.691 -16.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.040 -3.924 -18.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.121 -5.406 -18.819 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.350 -6.608 -18.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.336 -5.517 -19.456 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.751 -4.689 -17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.424 -3.996 -19.601 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.774 -6.673 -20.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.773 -5.215 -21.148 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.034 -6.728 -20.573 1.00 0.00 H new ATOM 545 N LEU A 33 -0.886 -2.397 -16.381 1.00 0.00 N ATOM 546 CA LEU A 33 -1.368 -1.098 -15.932 1.00 0.00 C ATOM 547 C LEU A 33 -1.924 -0.283 -17.101 1.00 0.00 C ATOM 548 O LEU A 33 -1.409 -0.347 -18.219 1.00 0.00 O ATOM 549 CB LEU A 33 -0.229 -0.331 -15.249 1.00 0.00 C ATOM 550 CG LEU A 33 -0.613 1.022 -14.646 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.632 0.845 -13.528 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.622 1.742 -14.131 1.00 0.00 C ATOM 0 H LEU A 33 0.125 -2.446 -16.508 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.176 -1.258 -15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.184 -0.957 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.566 -0.172 -15.977 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.068 1.629 -15.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.891 1.819 -13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.529 0.370 -13.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.207 0.219 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.332 2.703 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.103 1.135 -13.364 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.318 1.905 -14.954 1.00 0.00 H new ATOM 564 N HIS A 34 -2.990 0.465 -16.842 1.00 0.00 N ATOM 565 CA HIS A 34 -3.569 1.349 -17.846 1.00 0.00 C ATOM 566 C HIS A 34 -3.456 2.807 -17.408 1.00 0.00 C ATOM 567 O HIS A 34 -3.194 3.688 -18.229 1.00 0.00 O ATOM 568 CB HIS A 34 -5.036 0.986 -18.116 1.00 0.00 C ATOM 569 CG HIS A 34 -5.218 -0.138 -19.094 1.00 0.00 C ATOM 570 ND1 HIS A 34 -6.018 -0.033 -20.213 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.697 -1.390 -19.130 1.00 0.00 C ATOM 572 CE1 HIS A 34 -5.975 -1.162 -20.892 1.00 0.00 C ATOM 573 NE2 HIS A 34 -5.186 -2.004 -20.259 1.00 0.00 N ATOM 0 H HIS A 34 -3.472 0.477 -15.943 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.008 1.219 -18.772 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.511 0.714 -17.174 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.554 1.868 -18.492 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.023 -1.824 -18.406 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.500 -1.363 -21.814 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.972 -2.956 -20.557 1.00 0.00 H new ATOM 582 N ASP A 35 -3.661 3.041 -16.111 1.00 0.00 N ATOM 583 CA ASP A 35 -3.539 4.376 -15.520 1.00 0.00 C ATOM 584 C ASP A 35 -3.727 4.258 -14.005 1.00 0.00 C ATOM 585 O ASP A 35 -4.190 3.221 -13.526 1.00 0.00 O ATOM 586 CB ASP A 35 -4.595 5.323 -16.111 1.00 0.00 C ATOM 587 CG ASP A 35 -4.175 6.783 -16.085 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.497 7.206 -15.129 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.535 7.527 -17.026 1.00 0.00 O ATOM 0 H ASP A 35 -3.915 2.314 -15.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.554 4.786 -15.742 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.801 5.030 -17.140 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.526 5.210 -15.555 1.00 0.00 H new ATOM 594 N VAL A 36 -3.368 5.292 -13.251 1.00 0.00 N ATOM 595 CA VAL A 36 -3.555 5.276 -11.800 1.00 0.00 C ATOM 596 C VAL A 36 -3.488 6.694 -11.222 1.00 0.00 C ATOM 597 O VAL A 36 -2.778 7.557 -11.738 1.00 0.00 O ATOM 598 CB VAL A 36 -2.523 4.343 -11.102 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.096 4.790 -11.363 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.784 4.250 -9.605 1.00 0.00 C ATOM 0 H VAL A 36 -2.948 6.147 -13.615 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.549 4.875 -11.602 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.649 3.350 -11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.405 4.114 -10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.901 4.776 -12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.956 5.802 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.046 3.591 -9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.710 5.242 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.783 3.850 -9.434 1.00 0.00 H new ATOM 610 N SER A 37 -4.256 6.936 -10.163 1.00 0.00 N ATOM 611 CA SER A 37 -4.296 8.239 -9.519 1.00 0.00 C ATOM 612 C SER A 37 -4.480 8.079 -8.013 1.00 0.00 C ATOM 613 O SER A 37 -4.387 6.975 -7.480 1.00 0.00 O ATOM 614 CB SER A 37 -5.446 9.083 -10.091 1.00 0.00 C ATOM 615 OG SER A 37 -6.679 8.386 -10.006 1.00 0.00 O ATOM 0 H SER A 37 -4.863 6.238 -9.732 1.00 0.00 H new ATOM 0 HA SER A 37 -3.351 8.747 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.518 10.024 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.236 9.333 -11.131 1.00 0.00 H new ATOM 0 HG SER A 37 -7.387 9.006 -9.735 1.00 0.00 H new ATOM 621 N LEU A 38 -4.779 9.183 -7.341 1.00 0.00 N ATOM 622 CA LEU A 38 -5.024 9.172 -5.906 1.00 0.00 C ATOM 623 C LEU A 38 -6.502 8.880 -5.650 1.00 0.00 C ATOM 624 O LEU A 38 -7.016 9.059 -4.552 1.00 0.00 O ATOM 625 CB LEU A 38 -4.616 10.523 -5.298 1.00 0.00 C ATOM 626 CG LEU A 38 -4.712 10.627 -3.772 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.859 9.561 -3.105 1.00 0.00 C ATOM 628 CD2 LEU A 38 -4.295 12.013 -3.305 1.00 0.00 C ATOM 0 H LEU A 38 -4.858 10.104 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.427 8.393 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.589 10.737 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.242 11.300 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.750 10.463 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.942 9.653 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.204 8.574 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.818 9.690 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.369 12.069 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.266 12.205 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.951 12.760 -3.752 1.00 0.00 H new ATOM 640 N HIS A 39 -7.182 8.444 -6.704 1.00 0.00 N ATOM 641 CA HIS A 39 -8.599 8.087 -6.625 1.00 0.00 C ATOM 642 C HIS A 39 -8.756 6.592 -6.780 1.00 0.00 C ATOM 643 O HIS A 39 -9.808 6.021 -6.499 1.00 0.00 O ATOM 644 CB HIS A 39 -9.389 8.790 -7.728 1.00 0.00 C ATOM 645 CG HIS A 39 -9.048 10.232 -7.839 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.943 10.893 -9.032 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.755 11.126 -6.883 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.597 12.143 -8.804 1.00 0.00 C ATOM 649 NE2 HIS A 39 -8.481 12.318 -7.501 1.00 0.00 N ATOM 0 H HIS A 39 -6.774 8.328 -7.631 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.983 8.402 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.193 8.299 -8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.456 8.686 -7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.738 10.940 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.435 12.899 -9.558 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.231 13.190 -7.035 1.00 0.00 H new ATOM 658 N GLY A 40 -7.683 5.970 -7.216 1.00 0.00 N ATOM 659 CA GLY A 40 -7.705 4.555 -7.503 1.00 0.00 C ATOM 660 C GLY A 40 -6.826 4.194 -8.682 1.00 0.00 C ATOM 661 O GLY A 40 -5.937 4.959 -9.055 1.00 0.00 O ATOM 0 H GLY A 40 -6.784 6.423 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.374 4.003 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.729 4.244 -7.708 1.00 0.00 H new ATOM 665 N ILE A 41 -7.102 3.053 -9.291 1.00 0.00 N ATOM 666 CA ILE A 41 -6.236 2.509 -10.330 1.00 0.00 C ATOM 667 C ILE A 41 -7.062 1.888 -11.457 1.00 0.00 C ATOM 668 O ILE A 41 -8.162 1.379 -11.228 1.00 0.00 O ATOM 669 CB ILE A 41 -5.260 1.459 -9.738 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.292 0.934 -10.806 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.028 0.308 -9.099 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.272 -0.049 -10.270 1.00 0.00 C ATOM 0 H ILE A 41 -7.921 2.482 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.652 3.331 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.671 1.952 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.865 0.454 -11.599 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.769 1.778 -11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.324 -0.417 -8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.659 0.692 -8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.651 -0.176 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.622 -0.377 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.673 0.433 -9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.786 -0.911 -9.845 1.00 0.00 H new ATOM 684 N LEU A 42 -6.532 1.954 -12.673 1.00 0.00 N ATOM 685 CA LEU A 42 -7.191 1.392 -13.841 1.00 0.00 C ATOM 686 C LEU A 42 -6.297 0.347 -14.503 1.00 0.00 C ATOM 687 O LEU A 42 -5.169 0.644 -14.904 1.00 0.00 O ATOM 688 CB LEU A 42 -7.524 2.498 -14.848 1.00 0.00 C ATOM 689 CG LEU A 42 -8.125 2.016 -16.172 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.496 1.399 -15.948 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.209 3.161 -17.168 1.00 0.00 C ATOM 0 H LEU A 42 -5.636 2.398 -12.874 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.116 0.915 -13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.223 3.193 -14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.614 3.057 -15.063 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.470 1.249 -16.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.904 1.064 -16.901 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.406 0.548 -15.272 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.162 2.142 -15.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.638 2.800 -18.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.839 3.952 -16.761 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.210 3.554 -17.356 1.00 0.00 H new ATOM 703 N VAL A 43 -6.800 -0.874 -14.610 1.00 0.00 N ATOM 704 CA VAL A 43 -6.059 -1.956 -15.247 1.00 0.00 C ATOM 705 C VAL A 43 -6.941 -2.693 -16.249 1.00 0.00 C ATOM 706 O VAL A 43 -8.088 -2.308 -16.475 1.00 0.00 O ATOM 707 CB VAL A 43 -5.507 -2.963 -14.212 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.435 -2.317 -13.345 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.630 -3.517 -13.347 1.00 0.00 C ATOM 0 H VAL A 43 -7.721 -1.142 -14.263 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.215 -1.502 -15.767 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.052 -3.791 -14.757 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.062 -3.045 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.614 -1.977 -13.975 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.861 -1.466 -12.813 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.219 -4.223 -12.626 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.118 -2.699 -12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.359 -4.026 -13.978 1.00 0.00 H new ATOM 719 N GLY A 44 -6.398 -3.739 -16.857 1.00 0.00 N ATOM 720 CA GLY A 44 -7.159 -4.522 -17.813 1.00 0.00 C ATOM 721 C GLY A 44 -7.549 -5.877 -17.255 1.00 0.00 C ATOM 722 O GLY A 44 -7.082 -6.264 -16.186 1.00 0.00 O ATOM 0 H GLY A 44 -5.442 -4.061 -16.705 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.058 -3.974 -18.096 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.570 -4.659 -18.720 1.00 0.00 H new ATOM 726 N GLN A 45 -8.400 -6.596 -17.975 1.00 0.00 N ATOM 727 CA GLN A 45 -8.845 -7.917 -17.543 1.00 0.00 C ATOM 728 C GLN A 45 -8.296 -9.003 -18.472 1.00 0.00 C ATOM 729 O GLN A 45 -8.887 -9.303 -19.511 1.00 0.00 O ATOM 730 CB GLN A 45 -10.376 -7.975 -17.508 1.00 0.00 C ATOM 731 CG GLN A 45 -10.931 -9.288 -16.977 1.00 0.00 C ATOM 732 CD GLN A 45 -12.446 -9.346 -17.016 1.00 0.00 C ATOM 733 OE1 GLN A 45 -13.074 -9.994 -16.181 1.00 0.00 O ATOM 734 NE2 GLN A 45 -13.047 -8.678 -17.991 1.00 0.00 N ATOM 0 H GLN A 45 -8.797 -6.287 -18.862 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.462 -8.097 -16.539 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.747 -7.158 -16.889 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.759 -7.811 -18.515 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.525 -10.112 -17.564 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.593 -9.431 -15.951 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.492 -8.151 -18.666 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.064 -8.691 -18.066 1.00 0.00 H new ATOM 743 N PRO A 46 -7.130 -9.574 -18.132 1.00 0.00 N ATOM 744 CA PRO A 46 -6.488 -10.613 -18.926 1.00 0.00 C ATOM 745 C PRO A 46 -6.939 -12.031 -18.553 1.00 0.00 C ATOM 746 O PRO A 46 -7.623 -12.695 -19.331 1.00 0.00 O ATOM 747 CB PRO A 46 -4.993 -10.421 -18.612 1.00 0.00 C ATOM 748 CG PRO A 46 -4.921 -9.365 -17.542 1.00 0.00 C ATOM 749 CD PRO A 46 -6.307 -9.227 -16.979 1.00 0.00 C ATOM 0 HA PRO A 46 -6.740 -10.521 -19.983 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.544 -11.353 -18.269 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.445 -10.112 -19.502 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.214 -9.650 -16.763 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.575 -8.418 -17.956 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.476 -9.900 -16.138 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.506 -8.216 -16.624 1.00 0.00 H new ATOM 757 N GLN A 47 -6.562 -12.485 -17.360 1.00 0.00 N ATOM 758 CA GLN A 47 -6.833 -13.857 -16.938 1.00 0.00 C ATOM 759 C GLN A 47 -8.236 -13.986 -16.357 1.00 0.00 C ATOM 760 O GLN A 47 -9.064 -13.083 -16.498 1.00 0.00 O ATOM 761 CB GLN A 47 -5.807 -14.325 -15.894 1.00 0.00 C ATOM 762 CG GLN A 47 -4.360 -14.080 -16.290 1.00 0.00 C ATOM 763 CD GLN A 47 -3.835 -12.749 -15.784 1.00 0.00 C ATOM 764 OE1 GLN A 47 -4.589 -11.796 -15.596 1.00 0.00 O ATOM 765 NE2 GLN A 47 -2.536 -12.672 -15.569 1.00 0.00 N ATOM 0 H GLN A 47 -6.067 -11.922 -16.668 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.756 -14.488 -17.823 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.006 -13.815 -14.952 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.948 -15.391 -15.715 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.738 -14.885 -15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.274 -14.111 -17.376 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.942 -13.484 -15.736 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.125 -11.800 -15.235 1.00 0.00 H new ATOM 774 N ASP A 48 -8.494 -15.119 -15.710 1.00 0.00 N ATOM 775 CA ASP A 48 -9.782 -15.377 -15.081 1.00 0.00 C ATOM 776 C ASP A 48 -10.025 -14.395 -13.942 1.00 0.00 C ATOM 777 O ASP A 48 -9.201 -14.252 -13.042 1.00 0.00 O ATOM 778 CB ASP A 48 -9.860 -16.822 -14.572 1.00 0.00 C ATOM 779 CG ASP A 48 -8.793 -17.158 -13.546 1.00 0.00 C ATOM 780 OD1 ASP A 48 -7.617 -17.321 -13.932 1.00 0.00 O ATOM 781 OD2 ASP A 48 -9.130 -17.300 -12.353 1.00 0.00 O ATOM 0 H ASP A 48 -7.820 -15.878 -15.608 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.562 -15.238 -15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.843 -16.992 -14.132 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.767 -17.503 -15.418 1.00 0.00 H new ATOM 786 N TRP A 49 -11.159 -13.720 -13.997 1.00 0.00 N ATOM 787 CA TRP A 49 -11.466 -12.654 -13.060 1.00 0.00 C ATOM 788 C TRP A 49 -12.905 -12.790 -12.566 1.00 0.00 C ATOM 789 O TRP A 49 -13.806 -13.097 -13.349 1.00 0.00 O ATOM 790 CB TRP A 49 -11.252 -11.303 -13.757 1.00 0.00 C ATOM 791 CG TRP A 49 -11.435 -10.102 -12.876 1.00 0.00 C ATOM 792 CD1 TRP A 49 -12.508 -9.257 -12.854 1.00 0.00 C ATOM 793 CD2 TRP A 49 -10.508 -9.597 -11.908 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.312 -8.267 -11.921 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.090 -8.452 -11.330 1.00 0.00 C ATOM 796 CE3 TRP A 49 -9.246 -10.004 -11.468 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.450 -7.711 -10.343 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.613 -9.265 -10.488 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.215 -8.131 -9.934 1.00 0.00 C ATOM 0 H TRP A 49 -11.889 -13.894 -14.688 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.806 -12.717 -12.195 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.245 -11.281 -14.173 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.945 -11.229 -14.596 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.383 -9.353 -13.479 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.969 -7.517 -11.704 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.774 -10.881 -11.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.912 -6.834 -9.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.635 -9.568 -10.143 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.694 -7.576 -9.168 1.00 0.00 H new ATOM 810 N ASN A 50 -13.115 -12.588 -11.266 1.00 0.00 N ATOM 811 CA ASN A 50 -14.455 -12.672 -10.683 1.00 0.00 C ATOM 812 C ASN A 50 -15.373 -11.612 -11.279 1.00 0.00 C ATOM 813 O ASN A 50 -16.419 -11.928 -11.842 1.00 0.00 O ATOM 814 CB ASN A 50 -14.407 -12.509 -9.159 1.00 0.00 C ATOM 815 CG ASN A 50 -13.765 -13.692 -8.460 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.555 -13.722 -8.254 1.00 0.00 O ATOM 817 ND2 ASN A 50 -14.575 -14.667 -8.080 1.00 0.00 N ATOM 0 H ASN A 50 -12.377 -12.366 -10.597 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.851 -13.660 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.853 -11.603 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.420 -12.376 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.199 -15.483 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.575 -14.603 -8.271 1.00 0.00 H new ATOM 824 N GLY A 51 -14.970 -10.354 -11.157 1.00 0.00 N ATOM 825 CA GLY A 51 -15.765 -9.268 -11.703 1.00 0.00 C ATOM 826 C GLY A 51 -16.870 -8.843 -10.764 1.00 0.00 C ATOM 827 O GLY A 51 -17.902 -8.331 -11.193 1.00 0.00 O ATOM 0 H GLY A 51 -14.110 -10.065 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.119 -8.415 -11.911 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.198 -9.579 -12.654 1.00 0.00 H new ATOM 831 N ASP A 52 -16.645 -9.059 -9.479 1.00 0.00 N ATOM 832 CA ASP A 52 -17.628 -8.733 -8.458 1.00 0.00 C ATOM 833 C ASP A 52 -17.107 -7.602 -7.573 1.00 0.00 C ATOM 834 O ASP A 52 -16.088 -7.756 -6.900 1.00 0.00 O ATOM 835 CB ASP A 52 -17.925 -9.984 -7.626 1.00 0.00 C ATOM 836 CG ASP A 52 -18.878 -9.729 -6.476 1.00 0.00 C ATOM 837 OD1 ASP A 52 -18.665 -10.309 -5.391 1.00 0.00 O ATOM 838 OD2 ASP A 52 -19.838 -8.955 -6.654 1.00 0.00 O ATOM 0 H ASP A 52 -15.782 -9.463 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.551 -8.396 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.347 -10.751 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.989 -10.380 -7.232 1.00 0.00 H new ATOM 843 N PRO A 53 -17.788 -6.443 -7.579 1.00 0.00 N ATOM 844 CA PRO A 53 -17.374 -5.267 -6.794 1.00 0.00 C ATOM 845 C PRO A 53 -17.527 -5.484 -5.289 1.00 0.00 C ATOM 846 O PRO A 53 -17.120 -4.650 -4.478 1.00 0.00 O ATOM 847 CB PRO A 53 -18.319 -4.164 -7.277 1.00 0.00 C ATOM 848 CG PRO A 53 -19.516 -4.883 -7.794 1.00 0.00 C ATOM 849 CD PRO A 53 -19.011 -6.182 -8.361 1.00 0.00 C ATOM 0 HA PRO A 53 -16.319 -5.035 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.585 -3.488 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.855 -3.559 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -20.238 -5.060 -6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -20.023 -4.295 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.741 -6.983 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.797 -6.099 -9.427 1.00 0.00 H new ATOM 857 N GLN A 54 -18.114 -6.613 -4.925 1.00 0.00 N ATOM 858 CA GLN A 54 -18.246 -6.995 -3.529 1.00 0.00 C ATOM 859 C GLN A 54 -16.915 -7.550 -3.022 1.00 0.00 C ATOM 860 O GLN A 54 -16.704 -7.710 -1.822 1.00 0.00 O ATOM 861 CB GLN A 54 -19.372 -8.030 -3.378 1.00 0.00 C ATOM 862 CG GLN A 54 -19.557 -8.563 -1.967 1.00 0.00 C ATOM 863 CD GLN A 54 -19.843 -7.473 -0.955 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.442 -6.445 -1.276 1.00 0.00 O ATOM 865 NE2 GLN A 54 -19.414 -7.690 0.277 1.00 0.00 N ATOM 0 H GLN A 54 -18.509 -7.285 -5.583 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.504 -6.122 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -20.308 -7.579 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.169 -8.868 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.377 -9.281 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -18.658 -9.102 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.922 -8.555 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -19.575 -6.992 1.003 1.00 0.00 H new ATOM 874 N ARG A 55 -16.006 -7.802 -3.954 1.00 0.00 N ATOM 875 CA ARG A 55 -14.714 -8.380 -3.643 1.00 0.00 C ATOM 876 C ARG A 55 -13.668 -7.294 -3.428 1.00 0.00 C ATOM 877 O ARG A 55 -13.335 -6.547 -4.347 1.00 0.00 O ATOM 878 CB ARG A 55 -14.264 -9.308 -4.775 1.00 0.00 C ATOM 879 CG ARG A 55 -15.312 -10.330 -5.170 1.00 0.00 C ATOM 880 CD ARG A 55 -15.685 -11.221 -4.002 1.00 0.00 C ATOM 881 NE ARG A 55 -16.868 -12.023 -4.288 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.930 -13.340 -4.124 1.00 0.00 C ATOM 883 NH1 ARG A 55 -15.838 -14.019 -3.797 1.00 0.00 N ATOM 884 NH2 ARG A 55 -18.070 -13.986 -4.327 1.00 0.00 N ATOM 0 H ARG A 55 -16.147 -7.610 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.815 -8.954 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.007 -8.707 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.357 -9.829 -4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.201 -9.818 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.935 -10.941 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.849 -11.879 -3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.867 -10.607 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.699 -11.544 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.952 -13.530 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.885 -15.030 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.904 -13.472 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.113 -14.997 -4.200 1.00 0.00 H new ATOM 898 N PRO A 56 -13.174 -7.166 -2.194 1.00 0.00 N ATOM 899 CA PRO A 56 -12.015 -6.326 -1.893 1.00 0.00 C ATOM 900 C PRO A 56 -10.757 -6.876 -2.560 1.00 0.00 C ATOM 901 O PRO A 56 -10.526 -8.088 -2.555 1.00 0.00 O ATOM 902 CB PRO A 56 -11.882 -6.402 -0.366 1.00 0.00 C ATOM 903 CG PRO A 56 -13.169 -6.977 0.126 1.00 0.00 C ATOM 904 CD PRO A 56 -13.724 -7.807 -0.998 1.00 0.00 C ATOM 0 HA PRO A 56 -12.138 -5.306 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.038 -7.029 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.706 -5.415 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.007 -7.587 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.866 -6.186 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.412 -8.849 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.814 -7.800 -1.003 1.00 0.00 H new ATOM 912 N PHE A 57 -9.952 -5.995 -3.134 1.00 0.00 N ATOM 913 CA PHE A 57 -8.754 -6.414 -3.847 1.00 0.00 C ATOM 914 C PHE A 57 -7.524 -5.676 -3.324 1.00 0.00 C ATOM 915 O PHE A 57 -7.642 -4.647 -2.660 1.00 0.00 O ATOM 916 CB PHE A 57 -8.922 -6.181 -5.355 1.00 0.00 C ATOM 917 CG PHE A 57 -9.899 -7.124 -6.008 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.124 -6.675 -6.494 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.588 -8.469 -6.135 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.008 -7.554 -7.091 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.472 -9.348 -6.730 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.682 -8.890 -7.208 1.00 0.00 C ATOM 0 H PHE A 57 -10.106 -4.987 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.608 -7.480 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.254 -5.156 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.951 -6.284 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.386 -5.631 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.642 -8.834 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.955 -7.195 -7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.216 -10.393 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.374 -9.576 -7.674 1.00 0.00 H new ATOM 932 N GLU A 58 -6.350 -6.216 -3.608 1.00 0.00 N ATOM 933 CA GLU A 58 -5.095 -5.602 -3.191 1.00 0.00 C ATOM 934 C GLU A 58 -4.242 -5.292 -4.413 1.00 0.00 C ATOM 935 O GLU A 58 -4.314 -6.004 -5.411 1.00 0.00 O ATOM 936 CB GLU A 58 -4.332 -6.542 -2.256 1.00 0.00 C ATOM 937 CG GLU A 58 -5.069 -6.861 -0.967 1.00 0.00 C ATOM 938 CD GLU A 58 -4.355 -7.908 -0.138 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.277 -7.606 0.411 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.877 -9.037 -0.023 1.00 0.00 O ATOM 0 H GLU A 58 -6.238 -7.085 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.316 -4.676 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.124 -7.473 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.370 -6.092 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.179 -5.949 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.074 -7.212 -1.203 1.00 0.00 H new ATOM 947 N ALA A 59 -3.441 -4.237 -4.341 1.00 0.00 N ATOM 948 CA ALA A 59 -2.606 -3.854 -5.471 1.00 0.00 C ATOM 949 C ALA A 59 -1.134 -3.756 -5.081 1.00 0.00 C ATOM 950 O ALA A 59 -0.769 -3.043 -4.144 1.00 0.00 O ATOM 951 CB ALA A 59 -3.085 -2.537 -6.063 1.00 0.00 C ATOM 0 H ALA A 59 -3.352 -3.637 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.696 -4.636 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.450 -2.265 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.115 -2.644 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.033 -1.757 -5.304 1.00 0.00 H new ATOM 957 N ARG A 60 -0.303 -4.501 -5.800 1.00 0.00 N ATOM 958 CA ARG A 60 1.144 -4.425 -5.658 1.00 0.00 C ATOM 959 C ARG A 60 1.747 -3.681 -6.842 1.00 0.00 C ATOM 960 O ARG A 60 1.603 -4.117 -7.984 1.00 0.00 O ATOM 961 CB ARG A 60 1.770 -5.818 -5.611 1.00 0.00 C ATOM 962 CG ARG A 60 1.652 -6.540 -4.283 1.00 0.00 C ATOM 963 CD ARG A 60 2.346 -7.889 -4.366 1.00 0.00 C ATOM 964 NE ARG A 60 2.493 -8.542 -3.067 1.00 0.00 N ATOM 965 CZ ARG A 60 2.905 -9.802 -2.925 1.00 0.00 C ATOM 966 NH1 ARG A 60 3.173 -10.538 -4.001 1.00 0.00 N ATOM 967 NH2 ARG A 60 3.043 -10.330 -1.714 1.00 0.00 N ATOM 0 H ARG A 60 -0.615 -5.175 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 60 1.352 -3.900 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.305 -6.433 -6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.826 -5.732 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.099 -5.939 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.602 -6.677 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.780 -8.541 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.332 -7.756 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 60 2.269 -8.007 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.063 -10.138 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.488 -11.502 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.833 -9.771 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.359 -11.294 -1.611 1.00 0.00 H new ATOM 981 N LEU A 61 2.415 -2.574 -6.573 1.00 0.00 N ATOM 982 CA LEU A 61 3.127 -1.850 -7.614 1.00 0.00 C ATOM 983 C LEU A 61 4.629 -1.918 -7.368 1.00 0.00 C ATOM 984 O LEU A 61 5.138 -1.325 -6.418 1.00 0.00 O ATOM 985 CB LEU A 61 2.666 -0.390 -7.671 1.00 0.00 C ATOM 986 CG LEU A 61 1.188 -0.185 -8.013 1.00 0.00 C ATOM 987 CD1 LEU A 61 0.837 1.295 -7.985 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.867 -0.781 -9.376 1.00 0.00 C ATOM 0 H LEU A 61 2.480 -2.156 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 61 2.904 -2.318 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.867 0.075 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.270 0.136 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 61 0.587 -0.698 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.217 1.424 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.030 1.696 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.447 1.827 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.188 -0.626 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.477 -0.295 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.082 -1.849 -9.366 1.00 0.00 H new ATOM 1000 N TYR A 62 5.330 -2.665 -8.211 1.00 0.00 N ATOM 1001 CA TYR A 62 6.775 -2.815 -8.081 1.00 0.00 C ATOM 1002 C TYR A 62 7.506 -1.774 -8.921 1.00 0.00 C ATOM 1003 O TYR A 62 7.502 -1.845 -10.153 1.00 0.00 O ATOM 1004 CB TYR A 62 7.225 -4.208 -8.532 1.00 0.00 C ATOM 1005 CG TYR A 62 6.657 -5.362 -7.731 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.438 -6.038 -6.801 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.350 -5.789 -7.919 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.930 -7.106 -6.086 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.835 -6.851 -7.207 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.628 -7.507 -6.293 1.00 0.00 C ATOM 1011 OH TYR A 62 5.114 -8.571 -5.592 1.00 0.00 O ATOM 0 H TYR A 62 4.922 -3.177 -8.993 1.00 0.00 H new ATOM 0 HA TYR A 62 7.020 -2.676 -7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.947 -4.341 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.313 -4.254 -8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.458 -5.724 -6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.724 -5.279 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.550 -7.623 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.814 -7.167 -7.365 1.00 0.00 H new ATOM 0 HH TYR A 62 4.631 -9.164 -6.205 1.00 0.00 H new ATOM 1021 N LEU A 63 8.127 -0.808 -8.260 1.00 0.00 N ATOM 1022 CA LEU A 63 8.939 0.191 -8.950 1.00 0.00 C ATOM 1023 C LEU A 63 10.417 -0.094 -8.719 1.00 0.00 C ATOM 1024 O LEU A 63 11.292 0.544 -9.305 1.00 0.00 O ATOM 1025 CB LEU A 63 8.607 1.613 -8.473 1.00 0.00 C ATOM 1026 CG LEU A 63 7.278 2.203 -8.968 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.176 2.105 -10.481 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.091 1.524 -8.302 1.00 0.00 C ATOM 0 H LEU A 63 8.086 -0.692 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 63 8.713 0.129 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.597 1.615 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.414 2.276 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 63 7.257 3.257 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.227 2.529 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.998 2.657 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.230 1.059 -10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.165 1.964 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.105 0.459 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.151 1.662 -7.223 1.00 0.00 H new ATOM 1040 N GLY A 64 10.678 -1.060 -7.855 1.00 0.00 N ATOM 1041 CA GLY A 64 12.035 -1.428 -7.519 1.00 0.00 C ATOM 1042 C GLY A 64 12.060 -2.576 -6.538 1.00 0.00 C ATOM 1043 O GLY A 64 11.081 -3.314 -6.424 1.00 0.00 O ATOM 0 H GLY A 64 9.962 -1.604 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.574 -1.707 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.553 -0.569 -7.092 1.00 0.00 H new ATOM 1047 N LEU A 65 13.165 -2.721 -5.824 1.00 0.00 N ATOM 1048 CA LEU A 65 13.300 -3.772 -4.826 1.00 0.00 C ATOM 1049 C LEU A 65 12.632 -3.328 -3.531 1.00 0.00 C ATOM 1050 O LEU A 65 11.811 -4.041 -2.959 1.00 0.00 O ATOM 1051 CB LEU A 65 14.776 -4.102 -4.551 1.00 0.00 C ATOM 1052 CG LEU A 65 15.607 -4.555 -5.759 1.00 0.00 C ATOM 1053 CD1 LEU A 65 16.040 -3.366 -6.604 1.00 0.00 C ATOM 1054 CD2 LEU A 65 16.817 -5.349 -5.298 1.00 0.00 C ATOM 0 H LEU A 65 13.985 -2.122 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 65 12.818 -4.670 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.250 -3.219 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.816 -4.886 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 65 14.982 -5.197 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.627 -3.717 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.159 -2.837 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.645 -2.691 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.397 -5.664 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.437 -4.726 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.486 -6.228 -4.744 1.00 0.00 H new ATOM 1066 N ASP A 66 12.993 -2.132 -3.086 1.00 0.00 N ATOM 1067 CA ASP A 66 12.428 -1.560 -1.869 1.00 0.00 C ATOM 1068 C ASP A 66 11.354 -0.539 -2.211 1.00 0.00 C ATOM 1069 O ASP A 66 10.598 -0.099 -1.344 1.00 0.00 O ATOM 1070 CB ASP A 66 13.521 -0.903 -1.018 1.00 0.00 C ATOM 1071 CG ASP A 66 14.209 0.253 -1.723 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.020 1.415 -1.301 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.957 -0.002 -2.694 1.00 0.00 O ATOM 0 H ASP A 66 13.678 -1.536 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 66 11.978 -2.369 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.082 -0.544 -0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.265 -1.653 -0.751 1.00 0.00 H new ATOM 1078 N VAL A 67 11.284 -0.171 -3.480 1.00 0.00 N ATOM 1079 CA VAL A 67 10.289 0.781 -3.934 1.00 0.00 C ATOM 1080 C VAL A 67 9.026 0.042 -4.358 1.00 0.00 C ATOM 1081 O VAL A 67 8.844 -0.288 -5.532 1.00 0.00 O ATOM 1082 CB VAL A 67 10.803 1.645 -5.104 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.854 2.801 -5.377 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.208 2.157 -4.822 1.00 0.00 C ATOM 0 H VAL A 67 11.904 -0.518 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 67 10.070 1.450 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 67 10.843 1.019 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.236 3.397 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.869 2.410 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.775 3.425 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.549 2.764 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.199 2.763 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.883 1.312 -4.687 1.00 0.00 H new ATOM 1094 N LEU A 68 8.180 -0.254 -3.388 1.00 0.00 N ATOM 1095 CA LEU A 68 6.942 -0.965 -3.644 1.00 0.00 C ATOM 1096 C LEU A 68 5.763 -0.141 -3.144 1.00 0.00 C ATOM 1097 O LEU A 68 5.825 0.463 -2.073 1.00 0.00 O ATOM 1098 CB LEU A 68 6.984 -2.347 -2.970 1.00 0.00 C ATOM 1099 CG LEU A 68 5.818 -3.292 -3.290 1.00 0.00 C ATOM 1100 CD1 LEU A 68 6.282 -4.736 -3.213 1.00 0.00 C ATOM 1101 CD2 LEU A 68 4.659 -3.072 -2.329 1.00 0.00 C ATOM 0 H LEU A 68 8.330 -0.011 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 68 6.821 -1.116 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.913 -2.840 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.020 -2.201 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 68 5.473 -3.076 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.448 -5.399 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.083 -4.900 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.649 -4.947 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.846 -3.754 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.992 -3.261 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.308 -2.043 -2.412 1.00 0.00 H new ATOM 1113 N ILE A 69 4.711 -0.090 -3.942 1.00 0.00 N ATOM 1114 CA ILE A 69 3.499 0.613 -3.567 1.00 0.00 C ATOM 1115 C ILE A 69 2.395 -0.388 -3.247 1.00 0.00 C ATOM 1116 O ILE A 69 1.949 -1.133 -4.121 1.00 0.00 O ATOM 1117 CB ILE A 69 3.028 1.569 -4.688 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.112 2.612 -4.984 1.00 0.00 C ATOM 1119 CG2 ILE A 69 1.719 2.250 -4.306 1.00 0.00 C ATOM 1120 CD1 ILE A 69 3.767 3.541 -6.129 1.00 0.00 C ATOM 0 H ILE A 69 4.673 -0.531 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 69 3.720 1.211 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 69 2.852 0.982 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.287 3.205 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.045 2.098 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.408 2.917 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.950 1.495 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.862 2.826 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.580 4.251 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.621 2.959 -7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.851 4.083 -5.894 1.00 0.00 H new ATOM 1132 N ARG A 70 1.987 -0.421 -1.990 1.00 0.00 N ATOM 1133 CA ARG A 70 0.938 -1.328 -1.556 1.00 0.00 C ATOM 1134 C ARG A 70 -0.322 -0.547 -1.214 1.00 0.00 C ATOM 1135 O ARG A 70 -0.338 0.247 -0.270 1.00 0.00 O ATOM 1136 CB ARG A 70 1.398 -2.130 -0.341 1.00 0.00 C ATOM 1137 CG ARG A 70 0.424 -3.221 0.084 1.00 0.00 C ATOM 1138 CD ARG A 70 0.909 -3.926 1.340 1.00 0.00 C ATOM 1139 NE ARG A 70 2.271 -4.434 1.184 1.00 0.00 N ATOM 1140 CZ ARG A 70 3.330 -3.923 1.812 1.00 0.00 C ATOM 1141 NH1 ARG A 70 3.176 -2.923 2.672 1.00 0.00 N ATOM 1142 NH2 ARG A 70 4.539 -4.414 1.585 1.00 0.00 N ATOM 0 H ARG A 70 2.367 0.171 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 70 0.718 -2.019 -2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.363 -2.585 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.552 -1.448 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.559 -2.786 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.309 -3.945 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.873 -3.235 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.238 -4.752 1.576 1.00 0.00 H new ATOM 0 HE ARG A 70 2.420 -5.226 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.246 -2.545 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.987 -2.533 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.661 -5.185 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.348 -4.021 2.067 1.00 0.00 H new ATOM 1156 N MET A 71 -1.369 -0.775 -1.984 1.00 0.00 N ATOM 1157 CA MET A 71 -2.618 -0.058 -1.798 1.00 0.00 C ATOM 1158 C MET A 71 -3.811 -0.999 -1.930 1.00 0.00 C ATOM 1159 O MET A 71 -4.027 -1.606 -2.980 1.00 0.00 O ATOM 1160 CB MET A 71 -2.715 1.095 -2.809 1.00 0.00 C ATOM 1161 CG MET A 71 -2.518 0.665 -4.257 1.00 0.00 C ATOM 1162 SD MET A 71 -2.333 2.058 -5.391 1.00 0.00 S ATOM 1163 CE MET A 71 -3.906 2.890 -5.196 1.00 0.00 C ATOM 0 H MET A 71 -1.380 -1.453 -2.746 1.00 0.00 H new ATOM 0 HA MET A 71 -2.635 0.358 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.691 1.570 -2.711 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.968 1.848 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.635 0.030 -4.324 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.370 0.061 -4.569 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.007 3.661 -5.960 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.715 2.167 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.955 3.349 -4.208 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.560 -1.151 -0.848 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.789 -1.924 -0.881 1.00 0.00 C ATOM 1175 C GLU A 72 -6.842 -1.158 -1.672 1.00 0.00 C ATOM 1176 O GLU A 72 -7.018 0.049 -1.486 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.307 -2.221 0.530 1.00 0.00 C ATOM 1178 CG GLU A 72 -5.295 -2.907 1.433 1.00 0.00 C ATOM 1179 CD GLU A 72 -4.481 -1.924 2.250 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -3.495 -1.369 1.724 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -4.835 -1.701 3.429 1.00 0.00 O ATOM 0 H GLU A 72 -4.337 -0.749 0.062 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.581 -2.879 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.617 -1.286 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.195 -2.849 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.817 -3.588 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.623 -3.512 0.825 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.539 -1.855 -2.548 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.457 -1.211 -3.469 1.00 0.00 C ATOM 1190 C ILE A 73 -9.827 -1.878 -3.463 1.00 0.00 C ATOM 1191 O ILE A 73 -9.960 -3.071 -3.189 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.892 -1.212 -4.908 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.388 -2.612 -5.281 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.784 -0.176 -5.048 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.773 -2.700 -6.663 1.00 0.00 C ATOM 0 H ILE A 73 -7.487 -2.869 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.572 -0.182 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.692 -0.943 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.649 -2.928 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.219 -3.314 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.398 -0.191 -6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.181 0.814 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.978 -0.409 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.442 -3.722 -6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.515 -2.417 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.919 -2.025 -6.725 1.00 0.00 H new ATOM 1207 N SER A 74 -10.843 -1.088 -3.746 1.00 0.00 N ATOM 1208 CA SER A 74 -12.197 -1.594 -3.872 1.00 0.00 C ATOM 1209 C SER A 74 -12.610 -1.567 -5.336 1.00 0.00 C ATOM 1210 O SER A 74 -12.562 -0.514 -5.968 1.00 0.00 O ATOM 1211 CB SER A 74 -13.156 -0.729 -3.052 1.00 0.00 C ATOM 1212 OG SER A 74 -12.663 -0.512 -1.740 1.00 0.00 O ATOM 0 H SER A 74 -10.756 -0.083 -3.895 1.00 0.00 H new ATOM 0 HA SER A 74 -12.235 -2.618 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.301 0.229 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.131 -1.213 -3.001 1.00 0.00 H new ATOM 0 HG SER A 74 -12.203 -1.318 -1.426 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.985 -2.717 -5.882 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.436 -2.776 -7.265 1.00 0.00 C ATOM 1220 C LEU A 75 -14.673 -1.905 -7.440 1.00 0.00 C ATOM 1221 O LEU A 75 -15.740 -2.212 -6.913 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.727 -4.222 -7.685 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.236 -4.392 -9.120 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.241 -3.821 -10.120 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.508 -5.857 -9.422 1.00 0.00 C ATOM 0 H LEU A 75 -12.986 -3.612 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.642 -2.397 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.816 -4.808 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.466 -4.641 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.171 -3.839 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.625 -3.954 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.096 -2.759 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.288 -4.341 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.869 -5.957 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.588 -6.430 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.263 -6.237 -8.733 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.509 -0.804 -8.160 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.581 0.160 -8.329 1.00 0.00 C ATOM 1239 C ALA A 76 -16.428 -0.182 -9.541 1.00 0.00 C ATOM 1240 O ALA A 76 -17.656 -0.144 -9.480 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.014 1.567 -8.452 1.00 0.00 C ATOM 0 H ALA A 76 -13.641 -0.558 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.220 0.120 -7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.830 2.278 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.454 1.814 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.351 1.618 -9.316 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.770 -0.517 -10.644 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.475 -0.866 -11.867 1.00 0.00 C ATOM 1249 C TRP A 77 -15.618 -1.734 -12.777 1.00 0.00 C ATOM 1250 O TRP A 77 -14.390 -1.747 -12.679 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.932 0.396 -12.617 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.853 1.416 -12.845 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.557 2.486 -12.049 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.940 1.477 -13.950 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.516 3.201 -12.585 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.120 2.603 -13.752 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.732 0.685 -15.083 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.114 2.958 -14.646 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.735 1.040 -15.971 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -12.937 2.167 -15.747 1.00 0.00 C ATOM 0 H TRP A 77 -14.753 -0.554 -10.715 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.355 -1.441 -11.580 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.343 0.100 -13.582 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.741 0.863 -12.056 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.069 2.733 -11.131 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.104 4.042 -12.180 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.340 -0.189 -15.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.496 3.827 -14.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.569 0.438 -16.852 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.165 2.418 -16.459 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.285 -2.458 -13.661 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.626 -3.299 -14.641 1.00 0.00 C ATOM 1273 C ALA A 78 -16.359 -3.176 -15.964 1.00 0.00 C ATOM 1274 O ALA A 78 -17.465 -3.694 -16.123 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.591 -4.746 -14.170 1.00 0.00 C ATOM 0 H ALA A 78 -17.303 -2.477 -13.717 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.594 -2.972 -14.769 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.092 -5.361 -14.920 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.046 -4.809 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.609 -5.106 -14.025 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.763 -2.460 -16.897 1.00 0.00 N ATOM 1282 CA ARG A 79 -16.426 -2.152 -18.151 1.00 0.00 C ATOM 1283 C ARG A 79 -15.664 -2.753 -19.325 1.00 0.00 C ATOM 1284 O ARG A 79 -14.592 -2.269 -19.699 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.569 -0.636 -18.306 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.400 0.007 -17.206 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.451 1.518 -17.355 1.00 0.00 C ATOM 1288 NE ARG A 79 -17.969 2.170 -16.149 1.00 0.00 N ATOM 1289 CZ ARG A 79 -17.745 3.448 -15.836 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -17.121 4.248 -16.692 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -18.181 3.937 -14.683 1.00 0.00 N ATOM 0 H ARG A 79 -14.820 -2.080 -16.811 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.422 -2.595 -18.142 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.577 -0.184 -18.314 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.026 -0.418 -19.271 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -18.412 -0.396 -17.231 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.979 -0.249 -16.234 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.451 1.895 -17.570 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.080 1.778 -18.206 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.536 1.613 -15.509 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.810 3.887 -17.594 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.952 5.224 -16.448 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -18.689 3.336 -14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.009 4.914 -14.446 1.00 0.00 H new ATOM 1305 N ASP A 80 -16.227 -3.828 -19.871 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.641 -4.577 -20.984 1.00 0.00 C ATOM 1307 C ASP A 80 -14.299 -5.193 -20.598 1.00 0.00 C ATOM 1308 O ASP A 80 -14.247 -6.333 -20.133 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.498 -3.716 -22.245 1.00 0.00 C ATOM 1310 CG ASP A 80 -14.913 -4.496 -23.410 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -14.008 -3.972 -24.091 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -15.342 -5.652 -23.636 1.00 0.00 O ATOM 0 H ASP A 80 -17.116 -4.210 -19.549 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.333 -5.387 -21.215 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.475 -3.323 -22.527 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.861 -2.859 -22.027 1.00 0.00 H new ATOM 1317 N GLY A 81 -13.224 -4.442 -20.774 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.910 -4.950 -20.445 1.00 0.00 C ATOM 1319 C GLY A 81 -11.181 -4.047 -19.480 1.00 0.00 C ATOM 1320 O GLY A 81 -10.007 -4.263 -19.182 1.00 0.00 O ATOM 0 H GLY A 81 -13.238 -3.490 -21.139 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.004 -5.945 -20.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.323 -5.055 -21.357 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.881 -3.036 -18.987 1.00 0.00 N ATOM 1325 CA LEU A 82 -11.279 -2.059 -18.096 1.00 0.00 C ATOM 1326 C LEU A 82 -11.750 -2.268 -16.665 1.00 0.00 C ATOM 1327 O LEU A 82 -12.951 -2.241 -16.382 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.618 -0.641 -18.556 1.00 0.00 C ATOM 1329 CG LEU A 82 -11.227 -0.319 -19.999 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.518 1.139 -20.318 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.760 -0.641 -20.239 1.00 0.00 C ATOM 0 H LEU A 82 -12.867 -2.872 -19.190 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.198 -2.193 -18.127 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.691 -0.485 -18.443 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.121 0.068 -17.894 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.826 -0.940 -20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.233 1.350 -21.349 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.582 1.334 -20.188 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.947 1.779 -19.646 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.500 -0.406 -21.271 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.142 -0.048 -19.565 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.585 -1.701 -20.054 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.797 -2.485 -15.775 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.089 -2.679 -14.365 1.00 0.00 C ATOM 1345 C LEU A 83 -10.740 -1.420 -13.582 1.00 0.00 C ATOM 1346 O LEU A 83 -9.570 -1.035 -13.505 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.296 -3.867 -13.815 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.514 -5.197 -14.539 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -9.621 -6.274 -13.945 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.974 -5.618 -14.464 1.00 0.00 C ATOM 0 H LEU A 83 -9.805 -2.532 -16.007 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.154 -2.886 -14.256 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.235 -3.622 -13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.555 -3.999 -12.764 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.250 -5.064 -15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.787 -7.215 -14.470 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.577 -5.979 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.858 -6.401 -12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.107 -6.566 -14.985 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.266 -5.734 -13.420 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.597 -4.856 -14.933 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.751 -0.782 -13.013 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.528 0.434 -12.260 1.00 0.00 C ATOM 1364 C GLY A 84 -11.669 0.215 -10.770 1.00 0.00 C ATOM 1365 O GLY A 84 -12.718 -0.230 -10.296 1.00 0.00 O ATOM 0 H GLY A 84 -12.724 -1.085 -13.059 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.531 0.816 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.238 1.195 -12.583 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.617 0.517 -10.030 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.625 0.331 -8.588 1.00 0.00 C ATOM 1371 C PHE A 85 -10.504 1.668 -7.875 1.00 0.00 C ATOM 1372 O PHE A 85 -9.826 2.575 -8.353 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.471 -0.574 -8.151 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.467 -1.926 -8.802 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.851 -2.115 -10.028 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -10.069 -3.007 -8.185 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.836 -3.359 -10.624 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -10.058 -4.252 -8.776 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.441 -4.429 -10.000 1.00 0.00 C ATOM 0 H PHE A 85 -9.745 0.892 -10.403 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.572 -0.138 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.528 -0.074 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.516 -0.704 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.377 -1.280 -10.523 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.553 -2.874 -7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.350 -3.495 -11.579 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.531 -5.088 -8.283 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.433 -5.403 -10.466 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.166 1.775 -6.737 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.054 2.940 -5.880 1.00 0.00 C ATOM 1391 C GLU A 86 -10.018 2.661 -4.804 1.00 0.00 C ATOM 1392 O GLU A 86 -9.969 1.555 -4.263 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.405 3.252 -5.231 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.400 4.511 -4.378 1.00 0.00 C ATOM 1395 CD GLU A 86 -13.683 4.688 -3.595 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -13.632 4.640 -2.346 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.748 4.873 -4.221 1.00 0.00 O ATOM 0 H GLU A 86 -11.796 1.056 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.749 3.801 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.157 3.357 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.704 2.406 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.559 4.473 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.247 5.379 -5.019 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.183 3.643 -4.507 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.167 3.477 -3.482 1.00 0.00 C ATOM 1406 C CYS A 87 -8.812 3.461 -2.100 1.00 0.00 C ATOM 1407 O CYS A 87 -9.349 4.468 -1.639 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.121 4.587 -3.583 1.00 0.00 C ATOM 1409 SG CYS A 87 -7.811 6.258 -3.589 1.00 0.00 S ATOM 0 H CYS A 87 -9.188 4.558 -4.958 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.663 2.523 -3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.428 4.495 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.541 4.442 -4.494 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.797 6.323 -2.744 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.775 2.307 -1.455 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.411 2.138 -0.160 1.00 0.00 C ATOM 1417 C GLN A 88 -8.451 2.528 0.957 1.00 0.00 C ATOM 1418 O GLN A 88 -8.793 3.310 1.842 1.00 0.00 O ATOM 1419 CB GLN A 88 -9.862 0.687 0.004 1.00 0.00 C ATOM 1420 CG GLN A 88 -10.645 0.419 1.276 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.025 -1.041 1.424 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.244 -1.716 0.304 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -11.138 -1.557 2.534 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.310 1.471 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.283 2.789 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.476 0.410 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.984 0.041 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.051 0.726 2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.548 1.029 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.961 -1.005 3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.409 -2.537 2.616 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.246 1.987 0.894 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.223 2.260 1.890 1.00 0.00 C ATOM 1434 C HIS A 89 -4.852 2.220 1.228 1.00 0.00 C ATOM 1435 O HIS A 89 -4.594 1.362 0.390 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.306 1.224 3.021 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.339 1.452 4.146 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.704 2.019 5.348 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.016 1.176 4.254 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.654 2.084 6.140 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.616 1.578 5.502 1.00 0.00 N ATOM 0 H HIS A 89 -6.950 1.349 0.155 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.382 3.250 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.319 1.225 3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.130 0.233 2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.393 0.723 3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.644 2.484 7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.670 1.499 5.876 1.00 0.00 H new ATOM 1450 N ILE A 90 -3.986 3.156 1.584 1.00 0.00 N ATOM 1451 CA ILE A 90 -2.647 3.200 1.011 1.00 0.00 C ATOM 1452 C ILE A 90 -1.605 3.418 2.102 1.00 0.00 C ATOM 1453 O ILE A 90 -1.768 4.281 2.966 1.00 0.00 O ATOM 1454 CB ILE A 90 -2.505 4.318 -0.049 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -3.670 4.278 -1.043 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.183 4.174 -0.789 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -3.634 5.387 -2.075 1.00 0.00 C ATOM 0 H ILE A 90 -4.183 3.892 2.262 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.482 2.239 0.524 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.524 5.280 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.664 3.317 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.608 4.339 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.094 4.966 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.359 4.248 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.148 3.204 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.491 5.291 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.672 6.353 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.713 5.315 -2.654 1.00 0.00 H new ATOM 1469 N ASP A 91 -0.548 2.619 2.066 1.00 0.00 N ATOM 1470 CA ASP A 91 0.562 2.753 3.001 1.00 0.00 C ATOM 1471 C ASP A 91 1.301 4.072 2.772 1.00 0.00 C ATOM 1472 O ASP A 91 1.562 4.452 1.629 1.00 0.00 O ATOM 1473 CB ASP A 91 1.511 1.558 2.842 1.00 0.00 C ATOM 1474 CG ASP A 91 2.934 1.863 3.257 1.00 0.00 C ATOM 1475 OD1 ASP A 91 3.809 1.891 2.373 1.00 0.00 O ATOM 1476 OD2 ASP A 91 3.182 2.083 4.459 1.00 0.00 O ATOM 0 H ASP A 91 -0.435 1.862 1.391 1.00 0.00 H new ATOM 0 HA ASP A 91 0.175 2.762 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.137 0.725 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.505 1.234 1.801 1.00 0.00 H new ATOM 1481 N LEU A 92 1.636 4.763 3.861 1.00 0.00 N ATOM 1482 CA LEU A 92 2.256 6.087 3.781 1.00 0.00 C ATOM 1483 C LEU A 92 3.602 6.045 3.065 1.00 0.00 C ATOM 1484 O LEU A 92 3.954 6.979 2.342 1.00 0.00 O ATOM 1485 CB LEU A 92 2.428 6.696 5.178 1.00 0.00 C ATOM 1486 CG LEU A 92 1.242 7.529 5.688 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.031 6.698 5.760 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.561 8.128 7.048 1.00 0.00 C ATOM 0 H LEU A 92 1.488 4.427 4.813 1.00 0.00 H new ATOM 0 HA LEU A 92 1.584 6.716 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.614 5.889 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.317 7.327 5.173 1.00 0.00 H new ATOM 0 HG LEU A 92 1.073 8.338 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.850 7.318 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.276 6.320 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.120 5.860 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.711 8.715 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.764 7.328 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.437 8.771 6.966 1.00 0.00 H new ATOM 1500 N ASP A 93 4.350 4.967 3.256 1.00 0.00 N ATOM 1501 CA ASP A 93 5.632 4.815 2.580 1.00 0.00 C ATOM 1502 C ASP A 93 5.409 4.662 1.081 1.00 0.00 C ATOM 1503 O ASP A 93 6.103 5.274 0.269 1.00 0.00 O ATOM 1504 CB ASP A 93 6.401 3.614 3.133 1.00 0.00 C ATOM 1505 CG ASP A 93 7.714 3.386 2.415 1.00 0.00 C ATOM 1506 OD1 ASP A 93 8.588 4.274 2.474 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.885 2.312 1.794 1.00 0.00 O ATOM 0 H ASP A 93 4.095 4.191 3.867 1.00 0.00 H new ATOM 0 HA ASP A 93 6.230 5.708 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.593 3.767 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.783 2.720 3.047 1.00 0.00 H new ATOM 1512 N SER A 94 4.416 3.861 0.727 1.00 0.00 N ATOM 1513 CA SER A 94 4.003 3.700 -0.659 1.00 0.00 C ATOM 1514 C SER A 94 3.591 5.047 -1.254 1.00 0.00 C ATOM 1515 O SER A 94 3.983 5.384 -2.374 1.00 0.00 O ATOM 1516 CB SER A 94 2.847 2.702 -0.744 1.00 0.00 C ATOM 1517 OG SER A 94 3.212 1.452 -0.178 1.00 0.00 O ATOM 0 H SER A 94 3.875 3.306 1.390 1.00 0.00 H new ATOM 0 HA SER A 94 4.844 3.315 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.978 3.102 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.557 2.563 -1.786 1.00 0.00 H new ATOM 0 HG SER A 94 3.364 1.560 0.784 1.00 0.00 H new ATOM 1523 N ILE A 95 2.818 5.818 -0.489 1.00 0.00 N ATOM 1524 CA ILE A 95 2.431 7.168 -0.890 1.00 0.00 C ATOM 1525 C ILE A 95 3.673 8.020 -1.135 1.00 0.00 C ATOM 1526 O ILE A 95 3.765 8.731 -2.133 1.00 0.00 O ATOM 1527 CB ILE A 95 1.552 7.857 0.185 1.00 0.00 C ATOM 1528 CG1 ILE A 95 0.272 7.053 0.426 1.00 0.00 C ATOM 1529 CG2 ILE A 95 1.215 9.285 -0.231 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -0.597 7.604 1.538 1.00 0.00 C ATOM 0 H ILE A 95 2.447 5.528 0.416 1.00 0.00 H new ATOM 0 HA ILE A 95 1.849 7.079 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 95 2.117 7.895 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.308 7.027 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.540 6.024 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.598 9.751 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.136 9.856 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.670 9.270 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.485 6.981 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.035 7.605 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.897 8.623 1.294 1.00 0.00 H new ATOM 1542 N SER A 96 4.633 7.913 -0.228 1.00 0.00 N ATOM 1543 CA SER A 96 5.873 8.668 -0.323 1.00 0.00 C ATOM 1544 C SER A 96 6.649 8.294 -1.588 1.00 0.00 C ATOM 1545 O SER A 96 7.276 9.151 -2.218 1.00 0.00 O ATOM 1546 CB SER A 96 6.726 8.426 0.924 1.00 0.00 C ATOM 1547 OG SER A 96 6.011 8.769 2.103 1.00 0.00 O ATOM 0 H SER A 96 4.575 7.305 0.589 1.00 0.00 H new ATOM 0 HA SER A 96 5.629 9.728 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.025 7.379 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.640 9.016 0.864 1.00 0.00 H new ATOM 0 HG SER A 96 5.291 8.121 2.249 1.00 0.00 H new ATOM 1553 N HIS A 97 6.595 7.017 -1.963 1.00 0.00 N ATOM 1554 CA HIS A 97 7.240 6.559 -3.191 1.00 0.00 C ATOM 1555 C HIS A 97 6.539 7.153 -4.404 1.00 0.00 C ATOM 1556 O HIS A 97 7.178 7.745 -5.269 1.00 0.00 O ATOM 1557 CB HIS A 97 7.225 5.029 -3.311 1.00 0.00 C ATOM 1558 CG HIS A 97 7.977 4.304 -2.237 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.270 4.604 -1.874 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.601 3.273 -1.447 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.655 3.789 -0.911 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.659 2.970 -0.628 1.00 0.00 N ATOM 0 H HIS A 97 6.115 6.286 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 97 8.277 6.892 -3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.190 4.689 -3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.644 4.751 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.641 2.778 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.624 3.791 -0.434 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.674 2.236 0.080 1.00 0.00 H new ATOM 1571 N LEU A 98 5.216 6.999 -4.440 1.00 0.00 N ATOM 1572 CA LEU A 98 4.399 7.473 -5.555 1.00 0.00 C ATOM 1573 C LEU A 98 4.581 8.979 -5.746 1.00 0.00 C ATOM 1574 O LEU A 98 4.797 9.449 -6.864 1.00 0.00 O ATOM 1575 CB LEU A 98 2.920 7.123 -5.288 1.00 0.00 C ATOM 1576 CG LEU A 98 1.943 7.276 -6.469 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.563 8.732 -6.693 1.00 0.00 C ATOM 1578 CD2 LEU A 98 2.533 6.679 -7.738 1.00 0.00 C ATOM 0 H LEU A 98 4.682 6.544 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 98 4.717 6.981 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.873 6.091 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.565 7.751 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 98 1.035 6.729 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.873 8.803 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.084 9.125 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.460 9.313 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.826 6.798 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.463 7.192 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.733 5.619 -7.583 1.00 0.00 H new ATOM 1590 N ARG A 99 4.509 9.715 -4.644 1.00 0.00 N ATOM 1591 CA ARG A 99 4.658 11.166 -4.658 1.00 0.00 C ATOM 1592 C ARG A 99 5.952 11.582 -5.353 1.00 0.00 C ATOM 1593 O ARG A 99 5.930 12.305 -6.350 1.00 0.00 O ATOM 1594 CB ARG A 99 4.648 11.695 -3.222 1.00 0.00 C ATOM 1595 CG ARG A 99 4.690 13.208 -3.115 1.00 0.00 C ATOM 1596 CD ARG A 99 4.904 13.645 -1.674 1.00 0.00 C ATOM 1597 NE ARG A 99 4.850 15.096 -1.521 1.00 0.00 N ATOM 1598 CZ ARG A 99 5.906 15.859 -1.255 1.00 0.00 C ATOM 1599 NH1 ARG A 99 7.120 15.323 -1.178 1.00 0.00 N ATOM 1600 NH2 ARG A 99 5.746 17.166 -1.075 1.00 0.00 N ATOM 0 H ARG A 99 4.346 9.324 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 99 3.823 11.591 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.752 11.331 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.503 11.281 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.493 13.599 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.758 13.629 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.144 13.187 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.871 13.281 -1.326 1.00 0.00 H new ATOM 0 HE ARG A 99 3.944 15.554 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.245 14.321 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.926 15.914 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.816 17.580 -1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.553 17.755 -0.871 1.00 0.00 H new ATOM 1614 N ARG A 100 7.075 11.093 -4.838 1.00 0.00 N ATOM 1615 CA ARG A 100 8.385 11.475 -5.350 1.00 0.00 C ATOM 1616 C ARG A 100 8.577 10.961 -6.776 1.00 0.00 C ATOM 1617 O ARG A 100 9.182 11.632 -7.612 1.00 0.00 O ATOM 1618 CB ARG A 100 9.489 10.930 -4.442 1.00 0.00 C ATOM 1619 CG ARG A 100 10.798 11.697 -4.548 1.00 0.00 C ATOM 1620 CD ARG A 100 11.876 11.076 -3.678 1.00 0.00 C ATOM 1621 NE ARG A 100 12.974 12.005 -3.416 1.00 0.00 N ATOM 1622 CZ ARG A 100 14.232 11.632 -3.198 1.00 0.00 C ATOM 1623 NH1 ARG A 100 14.600 10.370 -3.376 1.00 0.00 N ATOM 1624 NH2 ARG A 100 15.133 12.537 -2.836 1.00 0.00 N ATOM 0 H ARG A 100 7.103 10.429 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 100 8.444 12.563 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.144 10.957 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.669 9.884 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.130 11.712 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.639 12.733 -4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.439 10.756 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.266 10.183 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 100 12.762 13.003 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.916 9.678 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.567 10.092 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.859 13.513 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.099 12.256 -2.668 1.00 0.00 H new ATOM 1638 N LEU A 101 8.044 9.772 -7.042 1.00 0.00 N ATOM 1639 CA LEU A 101 8.132 9.161 -8.362 1.00 0.00 C ATOM 1640 C LEU A 101 7.526 10.073 -9.418 1.00 0.00 C ATOM 1641 O LEU A 101 8.155 10.350 -10.432 1.00 0.00 O ATOM 1642 CB LEU A 101 7.416 7.808 -8.368 1.00 0.00 C ATOM 1643 CG LEU A 101 7.440 7.054 -9.699 1.00 0.00 C ATOM 1644 CD1 LEU A 101 8.866 6.699 -10.093 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.583 5.801 -9.608 1.00 0.00 C ATOM 0 H LEU A 101 7.543 9.210 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 101 9.185 9.008 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.867 7.175 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.377 7.966 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 101 7.028 7.704 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.859 6.163 -11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.453 7.612 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.310 6.067 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.608 5.273 -10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.970 5.151 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.555 6.079 -9.374 1.00 0.00 H new ATOM 1657 N VAL A 102 6.316 10.554 -9.163 1.00 0.00 N ATOM 1658 CA VAL A 102 5.619 11.404 -10.119 1.00 0.00 C ATOM 1659 C VAL A 102 6.329 12.745 -10.293 1.00 0.00 C ATOM 1660 O VAL A 102 6.423 13.261 -11.410 1.00 0.00 O ATOM 1661 CB VAL A 102 4.151 11.639 -9.704 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.450 12.576 -10.680 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.413 10.313 -9.618 1.00 0.00 C ATOM 0 H VAL A 102 5.798 10.370 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 102 5.628 10.878 -11.074 1.00 0.00 H new ATOM 0 HB VAL A 102 4.145 12.111 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.417 12.724 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.966 13.536 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.465 12.139 -11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.378 10.491 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.435 9.821 -10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.896 9.675 -8.877 1.00 0.00 H new ATOM 1673 N GLU A 103 6.845 13.299 -9.199 1.00 0.00 N ATOM 1674 CA GLU A 103 7.579 14.560 -9.264 1.00 0.00 C ATOM 1675 C GLU A 103 8.787 14.435 -10.190 1.00 0.00 C ATOM 1676 O GLU A 103 8.997 15.273 -11.071 1.00 0.00 O ATOM 1677 CB GLU A 103 8.039 15.002 -7.874 1.00 0.00 C ATOM 1678 CG GLU A 103 6.900 15.298 -6.911 1.00 0.00 C ATOM 1679 CD GLU A 103 7.387 15.850 -5.585 1.00 0.00 C ATOM 1680 OE1 GLU A 103 7.142 17.044 -5.303 1.00 0.00 O ATOM 1681 OE2 GLU A 103 8.034 15.103 -4.828 1.00 0.00 O ATOM 0 H GLU A 103 6.770 12.899 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 103 6.901 15.315 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.670 14.223 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.658 15.894 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.218 16.014 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.332 14.385 -6.734 1.00 0.00 H new ATOM 1688 N LEU A 104 9.557 13.372 -10.008 1.00 0.00 N ATOM 1689 CA LEU A 104 10.740 13.128 -10.831 1.00 0.00 C ATOM 1690 C LEU A 104 10.352 12.578 -12.201 1.00 0.00 C ATOM 1691 O LEU A 104 11.169 12.548 -13.121 1.00 0.00 O ATOM 1692 CB LEU A 104 11.699 12.151 -10.132 1.00 0.00 C ATOM 1693 CG LEU A 104 12.641 12.760 -9.081 1.00 0.00 C ATOM 1694 CD1 LEU A 104 13.532 13.814 -9.712 1.00 0.00 C ATOM 1695 CD2 LEU A 104 11.864 13.351 -7.912 1.00 0.00 C ATOM 0 H LEU A 104 9.386 12.661 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 104 11.247 14.083 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.105 11.374 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.306 11.663 -10.894 1.00 0.00 H new ATOM 0 HG LEU A 104 13.268 11.957 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.192 14.234 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.130 13.359 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.915 14.607 -10.135 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.561 13.773 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.200 14.135 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.274 12.569 -7.434 1.00 0.00 H new ATOM 1707 N ASN A 105 9.102 12.149 -12.335 1.00 0.00 N ATOM 1708 CA ASN A 105 8.627 11.552 -13.580 1.00 0.00 C ATOM 1709 C ASN A 105 8.216 12.623 -14.573 1.00 0.00 C ATOM 1710 O ASN A 105 8.306 12.434 -15.787 1.00 0.00 O ATOM 1711 CB ASN A 105 7.446 10.615 -13.312 1.00 0.00 C ATOM 1712 CG ASN A 105 7.176 9.672 -14.466 1.00 0.00 C ATOM 1713 OD1 ASN A 105 6.431 9.994 -15.392 1.00 0.00 O ATOM 1714 ND2 ASN A 105 7.770 8.490 -14.406 1.00 0.00 N ATOM 0 H ASN A 105 8.399 12.203 -11.598 1.00 0.00 H new ATOM 0 HA ASN A 105 9.448 10.976 -14.007 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.645 10.034 -12.412 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.553 11.209 -13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.618 7.805 -15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.380 8.265 -13.620 1.00 0.00 H new ATOM 1721 N LEU A 106 7.772 13.748 -14.039 1.00 0.00 N ATOM 1722 CA LEU A 106 7.310 14.869 -14.845 1.00 0.00 C ATOM 1723 C LEU A 106 6.956 16.017 -13.922 1.00 0.00 C ATOM 1724 O LEU A 106 7.149 17.186 -14.247 1.00 0.00 O ATOM 1725 CB LEU A 106 6.083 14.473 -15.680 1.00 0.00 C ATOM 1726 CG LEU A 106 5.597 15.536 -16.667 1.00 0.00 C ATOM 1727 CD1 LEU A 106 6.665 15.827 -17.711 1.00 0.00 C ATOM 1728 CD2 LEU A 106 4.304 15.094 -17.336 1.00 0.00 C ATOM 0 H LEU A 106 7.721 13.912 -13.034 1.00 0.00 H new ATOM 0 HA LEU A 106 8.102 15.168 -15.531 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.319 13.565 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.265 14.229 -15.002 1.00 0.00 H new ATOM 0 HG LEU A 106 5.401 16.453 -16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.300 16.585 -18.403 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.567 16.190 -17.218 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.895 14.914 -18.261 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.974 15.863 -18.034 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.474 14.162 -17.876 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.536 14.939 -16.578 1.00 0.00 H new ATOM 1740 N GLY A 107 6.461 15.658 -12.748 1.00 0.00 N ATOM 1741 CA GLY A 107 6.079 16.654 -11.764 1.00 0.00 C ATOM 1742 C GLY A 107 4.655 17.143 -11.936 1.00 0.00 C ATOM 1743 O GLY A 107 4.239 18.093 -11.274 1.00 0.00 O ATOM 0 H GLY A 107 6.316 14.691 -12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.194 16.232 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.759 17.503 -11.832 1.00 0.00 H new ATOM 1747 N ASP A 108 3.902 16.505 -12.825 1.00 0.00 N ATOM 1748 CA ASP A 108 2.513 16.895 -13.053 1.00 0.00 C ATOM 1749 C ASP A 108 1.603 16.214 -12.043 1.00 0.00 C ATOM 1750 O ASP A 108 1.421 14.995 -12.074 1.00 0.00 O ATOM 1751 CB ASP A 108 2.057 16.554 -14.474 1.00 0.00 C ATOM 1752 CG ASP A 108 0.658 17.072 -14.764 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.536 18.205 -15.275 1.00 0.00 O ATOM 1754 OD2 ASP A 108 -0.324 16.361 -14.468 1.00 0.00 O ATOM 0 H ASP A 108 4.224 15.723 -13.395 1.00 0.00 H new ATOM 0 HA ASP A 108 2.450 17.976 -12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.757 16.981 -15.192 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.079 15.473 -14.612 1.00 0.00 H new ATOM 1759 N GLU A 109 1.054 17.004 -11.137 1.00 0.00 N ATOM 1760 CA GLU A 109 0.194 16.481 -10.088 1.00 0.00 C ATOM 1761 C GLU A 109 -1.261 16.443 -10.549 1.00 0.00 C ATOM 1762 O GLU A 109 -2.122 15.868 -9.882 1.00 0.00 O ATOM 1763 CB GLU A 109 0.348 17.334 -8.828 1.00 0.00 C ATOM 1764 CG GLU A 109 1.778 17.364 -8.309 1.00 0.00 C ATOM 1765 CD GLU A 109 1.988 18.361 -7.191 1.00 0.00 C ATOM 1766 OE1 GLU A 109 1.920 17.966 -6.011 1.00 0.00 O ATOM 1767 OE2 GLU A 109 2.251 19.547 -7.489 1.00 0.00 O ATOM 0 H GLU A 109 1.189 18.015 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 109 0.493 15.458 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.022 18.352 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.309 16.946 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.050 16.369 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.451 17.604 -9.132 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.518 17.033 -11.708 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.862 17.084 -12.267 1.00 0.00 C ATOM 1776 C GLU A 110 -3.274 15.688 -12.729 1.00 0.00 C ATOM 1777 O GLU A 110 -4.417 15.267 -12.543 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.892 18.085 -13.427 1.00 0.00 C ATOM 1779 CG GLU A 110 -4.260 18.686 -13.727 1.00 0.00 C ATOM 1780 CD GLU A 110 -5.173 17.761 -14.507 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -6.288 17.471 -14.023 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -4.790 17.341 -15.616 1.00 0.00 O ATOM 0 H GLU A 110 -0.808 17.486 -12.283 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.572 17.416 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.197 18.895 -13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.526 17.588 -14.325 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.744 18.953 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.126 19.610 -14.290 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.320 14.966 -13.308 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.523 13.576 -13.704 1.00 0.00 C ATOM 1791 C LEU A 111 -2.937 12.711 -12.513 1.00 0.00 C ATOM 1792 O LEU A 111 -3.728 11.780 -12.657 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.249 13.003 -14.333 1.00 0.00 C ATOM 1794 CG LEU A 111 -0.884 13.563 -15.710 1.00 0.00 C ATOM 1795 CD1 LEU A 111 0.459 13.012 -16.169 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -1.965 13.231 -16.727 1.00 0.00 C ATOM 0 H LEU A 111 -1.388 15.325 -13.515 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.328 13.561 -14.439 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.416 13.185 -13.654 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.361 11.922 -14.418 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.807 14.647 -15.629 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.704 13.420 -17.150 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.232 13.296 -15.455 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.404 11.925 -16.232 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.687 13.638 -17.699 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.073 12.149 -16.803 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.911 13.668 -16.408 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.417 13.026 -11.336 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.728 12.252 -10.139 1.00 0.00 C ATOM 1810 C LEU A 112 -4.094 12.633 -9.579 1.00 0.00 C ATOM 1811 O LEU A 112 -4.662 11.911 -8.754 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.663 12.466 -9.063 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.264 11.959 -9.410 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.696 12.247 -8.266 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.300 10.469 -9.720 1.00 0.00 C ATOM 0 H LEU A 112 -1.780 13.808 -11.182 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.744 11.200 -10.425 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.600 13.532 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.992 11.973 -8.148 1.00 0.00 H new ATOM 0 HG LEU A 112 0.089 12.483 -10.298 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.690 11.881 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.739 13.322 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.348 11.745 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.704 10.124 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.668 9.925 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.962 10.289 -10.567 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.630 13.748 -10.049 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.846 14.297 -9.487 1.00 0.00 C ATOM 1829 C GLU A 113 -6.875 14.561 -10.583 1.00 0.00 C ATOM 1830 O GLU A 113 -7.616 15.543 -10.540 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.524 15.582 -8.714 1.00 0.00 C ATOM 1832 CG GLU A 113 -6.644 16.033 -7.790 1.00 0.00 C ATOM 1833 CD GLU A 113 -6.305 17.299 -7.033 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -6.345 18.386 -7.641 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -6.020 17.217 -5.819 1.00 0.00 O ATOM 0 H GLU A 113 -4.239 14.289 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.277 13.572 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.620 15.425 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.308 16.379 -9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.549 16.196 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.864 15.237 -7.078 1.00 0.00 H new ATOM 1842 N ARG A 114 -6.923 13.676 -11.571 1.00 0.00 N ATOM 1843 CA ARG A 114 -7.984 13.726 -12.567 1.00 0.00 C ATOM 1844 C ARG A 114 -9.272 13.181 -11.954 1.00 0.00 C ATOM 1845 O ARG A 114 -9.970 13.887 -11.231 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.596 12.930 -13.820 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.556 13.621 -14.690 1.00 0.00 C ATOM 1848 CD ARG A 114 -5.922 12.654 -15.680 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.019 11.720 -15.008 1.00 0.00 N ATOM 1850 CZ ARG A 114 -4.752 10.484 -15.424 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -5.329 9.995 -16.517 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -3.912 9.730 -14.726 1.00 0.00 N ATOM 0 H ARG A 114 -6.247 12.923 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.141 14.760 -12.873 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.212 11.956 -13.516 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.491 12.748 -14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.023 14.444 -15.232 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.782 14.055 -14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.703 12.098 -16.199 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.372 13.214 -16.437 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.559 12.040 -14.156 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.985 10.568 -17.048 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.116 9.046 -16.825 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.478 10.099 -13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.700 8.781 -15.036 1.00 0.00 H new ATOM 1866 N GLU A 115 -9.559 11.915 -12.226 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.648 11.194 -11.576 1.00 0.00 C ATOM 1868 C GLU A 115 -10.628 9.777 -12.121 1.00 0.00 C ATOM 1869 O GLU A 115 -10.142 9.572 -13.219 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.005 11.855 -11.867 1.00 0.00 C ATOM 1871 CG GLU A 115 -12.989 11.800 -10.705 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.218 10.395 -10.197 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -12.453 9.957 -9.313 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.127 9.714 -10.709 1.00 0.00 O ATOM 0 H GLU A 115 -9.042 11.357 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.514 11.204 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.838 12.898 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.455 11.369 -12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.616 12.420 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.941 12.227 -11.021 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.131 8.812 -11.371 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.191 7.440 -11.857 1.00 0.00 C ATOM 1883 C LEU A 116 -12.028 7.396 -13.134 1.00 0.00 C ATOM 1884 O LEU A 116 -11.698 6.689 -14.085 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.770 6.509 -10.783 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.907 5.037 -11.185 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.551 4.448 -11.543 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.550 4.242 -10.059 1.00 0.00 C ATOM 0 H LEU A 116 -11.502 8.948 -10.431 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.183 7.091 -12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.137 6.568 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.754 6.882 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.547 4.979 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.672 3.402 -11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.123 5.002 -12.378 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.886 4.517 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.642 3.198 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.930 4.311 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.539 4.647 -9.847 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.088 8.198 -13.159 1.00 0.00 N ATOM 1901 CA ALA A 117 -13.923 8.336 -14.348 1.00 0.00 C ATOM 1902 C ALA A 117 -13.181 9.068 -15.469 1.00 0.00 C ATOM 1903 O ALA A 117 -13.563 8.983 -16.636 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.209 9.071 -14.001 1.00 0.00 C ATOM 0 H ALA A 117 -13.390 8.764 -12.366 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.167 7.336 -14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.825 9.169 -14.895 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.756 8.510 -13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -14.969 10.062 -13.616 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.113 9.772 -15.106 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.332 10.549 -16.064 1.00 0.00 C ATOM 1912 C LEU A 118 -10.048 9.825 -16.459 1.00 0.00 C ATOM 1913 O LEU A 118 -9.233 10.359 -17.212 1.00 0.00 O ATOM 1914 CB LEU A 118 -10.976 11.922 -15.489 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.153 12.864 -15.239 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.656 14.184 -14.672 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -12.939 13.094 -16.521 1.00 0.00 C ATOM 0 H LEU A 118 -11.766 9.820 -14.148 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.951 10.675 -16.952 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.447 11.775 -14.548 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.282 12.412 -16.172 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.820 12.401 -14.512 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.503 14.847 -14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.137 14.003 -13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.971 14.649 -15.380 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.772 13.767 -16.321 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.287 13.538 -17.273 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.322 12.142 -16.889 1.00 0.00 H new ATOM 1929 N LEU A 119 -9.858 8.620 -15.940 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.677 7.837 -16.277 1.00 0.00 C ATOM 1931 C LEU A 119 -8.987 6.907 -17.442 1.00 0.00 C ATOM 1932 O LEU A 119 -9.821 6.009 -17.334 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.169 7.058 -15.054 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.047 7.747 -14.258 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.385 9.197 -13.967 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.781 7.017 -12.954 1.00 0.00 C ATOM 0 H LEU A 119 -10.500 8.166 -15.290 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.879 8.514 -16.583 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.009 6.877 -14.384 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.811 6.084 -15.387 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.149 7.716 -14.875 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.572 9.654 -13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.523 9.734 -14.906 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.304 9.246 -13.383 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.984 7.523 -12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.687 7.012 -12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.480 5.991 -13.166 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.325 7.153 -18.565 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.596 6.422 -19.793 1.00 0.00 C ATOM 1950 C VAL A 120 -7.413 5.517 -20.142 1.00 0.00 C ATOM 1951 O VAL A 120 -6.334 5.637 -19.564 1.00 0.00 O ATOM 1952 CB VAL A 120 -8.878 7.396 -20.970 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.486 6.671 -22.164 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -9.789 8.531 -20.521 1.00 0.00 C ATOM 0 H VAL A 120 -7.592 7.858 -18.649 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.483 5.809 -19.632 1.00 0.00 H new ATOM 0 HB VAL A 120 -7.922 7.815 -21.285 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.670 7.384 -22.968 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.797 5.902 -22.512 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.427 6.208 -21.868 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.974 9.202 -21.360 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.735 8.120 -20.169 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -9.310 9.084 -19.713 1.00 0.00 H new ATOM 1964 N SER A 121 -7.629 4.614 -21.084 1.00 0.00 N ATOM 1965 CA SER A 121 -6.601 3.696 -21.536 1.00 0.00 C ATOM 1966 C SER A 121 -5.700 4.351 -22.577 1.00 0.00 C ATOM 1967 O SER A 121 -5.951 5.479 -22.998 1.00 0.00 O ATOM 1968 CB SER A 121 -7.242 2.437 -22.112 1.00 0.00 C ATOM 1969 OG SER A 121 -7.925 1.719 -21.100 1.00 0.00 O ATOM 0 H SER A 121 -8.525 4.498 -21.557 1.00 0.00 H new ATOM 0 HA SER A 121 -5.985 3.424 -20.679 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.938 2.707 -22.907 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.476 1.805 -22.560 1.00 0.00 H new ATOM 0 HG SER A 121 -7.479 0.859 -20.951 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.624 3.649 -22.937 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.700 4.094 -23.981 1.00 0.00 C ATOM 1977 C ALA A 122 -4.446 4.640 -25.199 1.00 0.00 C ATOM 1978 O ALA A 122 -4.047 5.647 -25.781 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.792 2.943 -24.387 1.00 0.00 C ATOM 0 H ALA A 122 -4.369 2.757 -22.513 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.097 4.907 -23.577 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.105 3.278 -25.164 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.223 2.606 -23.521 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.396 2.119 -24.767 1.00 0.00 H new ATOM 1985 N HIS A 123 -5.533 3.975 -25.572 1.00 0.00 N ATOM 1986 CA HIS A 123 -6.399 4.463 -26.634 1.00 0.00 C ATOM 1987 C HIS A 123 -7.797 4.722 -26.085 1.00 0.00 C ATOM 1988 O HIS A 123 -8.223 4.065 -25.132 1.00 0.00 O ATOM 1989 CB HIS A 123 -6.467 3.462 -27.804 1.00 0.00 C ATOM 1990 CG HIS A 123 -7.096 2.131 -27.467 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -8.368 1.801 -27.127 1.00 0.00 N flip ATOM 1992 CD2 HIS A 123 -6.395 0.946 -27.481 1.00 0.00 C flip ATOM 1993 CE1 HIS A 123 -8.406 0.442 -26.945 1.00 0.00 C flip ATOM 1994 NE2 HIS A 123 -7.202 -0.050 -27.164 1.00 0.00 N flip ATOM 0 H HIS A 123 -5.834 3.095 -25.153 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.980 5.395 -27.013 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -7.029 3.917 -28.620 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -5.456 3.287 -28.172 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.345 0.846 -27.715 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.278 -0.131 -26.668 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -6.939 -1.033 -27.099 1.00 0.00 H new ATOM 2003 N ASP A 124 -8.495 5.680 -26.669 1.00 0.00 N ATOM 2004 CA ASP A 124 -9.898 5.900 -26.345 1.00 0.00 C ATOM 2005 C ASP A 124 -10.759 5.212 -27.395 1.00 0.00 C ATOM 2006 O ASP A 124 -11.876 4.765 -27.122 1.00 0.00 O ATOM 2007 CB ASP A 124 -10.220 7.397 -26.284 1.00 0.00 C ATOM 2008 CG ASP A 124 -10.209 8.058 -27.649 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -11.261 8.603 -28.060 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -9.156 8.033 -28.321 1.00 0.00 O ATOM 0 H ASP A 124 -8.116 6.318 -27.369 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.109 5.479 -25.362 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.200 7.535 -25.827 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.495 7.894 -25.639 1.00 0.00 H new ATOM 2015 N ASP A 125 -10.210 5.123 -28.597 1.00 0.00 N ATOM 2016 CA ASP A 125 -10.858 4.432 -29.697 1.00 0.00 C ATOM 2017 C ASP A 125 -10.432 2.972 -29.723 1.00 0.00 C ATOM 2018 O ASP A 125 -11.278 2.101 -29.437 1.00 0.00 O ATOM 2019 CB ASP A 125 -10.513 5.104 -31.027 1.00 0.00 C ATOM 2020 CG ASP A 125 -11.080 4.353 -32.213 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -12.321 4.317 -32.360 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -10.290 3.806 -33.012 1.00 0.00 O ATOM 0 H ASP A 125 -9.304 5.528 -28.835 1.00 0.00 H new ATOM 0 HA ASP A 125 -11.937 4.482 -29.551 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -10.898 6.124 -31.027 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.430 5.172 -31.127 1.00 0.00 H new TER 2027 ASP A 125