USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=10 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 71 MET CE :methyl -168:sc= -0.282 (180deg=-0.547) USER MOD Set 1.2: A 87 CYS SG : rot 12:sc= -3.74! 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 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.071) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.932 K(o=-0.93,f=-0.072) USER MOD Single : A 37 SER OG : rot -36:sc= 0.49 USER MOD Single : A 39 HIS : no HD1:sc= -4.03! C(o=-4!,f=-6.1!) USER MOD Single : A 45 GLN : amide:sc= 0.87 K(o=0.87,f=-0.77) USER MOD Single : A 47 GLN : amide:sc= -0.831 K(o=-0.83,f=-5.3!) USER MOD Single : A 50 ASN : amide:sc= -0.697! C(o=-0.7!,f=-8.3!) USER MOD Single : A 54 GLN : amide:sc= -1.04 K(o=-1,f=-0.18) USER MOD Single : A 62 TYR OH : rot -174:sc= 0.0955 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 89 HIS : no HD1:sc= 0.399 K(o=0.4,f=-2.7!) USER MOD Single : A 94 SER OG : rot 152:sc= -1.29! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-2.5) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=0.6) USER MOD Single : A 121 SER OG : rot 57:sc= 1.14 USER MOD Single : A 123 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.910 -2.707 -43.199 1.00 0.00 N ATOM 2 CA MET A 1 15.063 -2.949 -42.009 1.00 0.00 C ATOM 3 C MET A 1 14.534 -1.635 -41.454 1.00 0.00 C ATOM 4 O MET A 1 15.292 -0.691 -41.233 1.00 0.00 O ATOM 5 CB MET A 1 15.861 -3.683 -40.926 1.00 0.00 C ATOM 6 CG MET A 1 15.097 -3.870 -39.624 1.00 0.00 C ATOM 7 SD MET A 1 13.591 -4.837 -39.833 1.00 0.00 S ATOM 8 CE MET A 1 12.937 -4.808 -38.163 1.00 0.00 C ATOM 0 H1 MET A 1 16.262 -3.615 -43.565 1.00 0.00 H new ATOM 0 H2 MET A 1 15.348 -2.232 -43.934 1.00 0.00 H new ATOM 0 H3 MET A 1 16.715 -2.104 -42.935 1.00 0.00 H new ATOM 0 HA MET A 1 14.220 -3.569 -42.312 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.158 -4.660 -41.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.777 -3.128 -40.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.742 -4.363 -38.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.842 -2.893 -39.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.002 -5.367 -38.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.657 -5.263 -37.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.755 -3.777 -37.862 1.00 0.00 H new ATOM 18 N SER A 2 13.228 -1.575 -41.242 1.00 0.00 N ATOM 19 CA SER A 2 12.606 -0.406 -40.656 1.00 0.00 C ATOM 20 C SER A 2 11.600 -0.821 -39.592 1.00 0.00 C ATOM 21 O SER A 2 10.629 -1.523 -39.881 1.00 0.00 O ATOM 22 CB SER A 2 11.914 0.431 -41.736 1.00 0.00 C ATOM 23 OG SER A 2 12.842 0.882 -42.712 1.00 0.00 O ATOM 0 H SER A 2 12.579 -2.328 -41.470 1.00 0.00 H new ATOM 0 HA SER A 2 13.382 0.200 -40.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.137 -0.163 -42.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.422 1.288 -41.276 1.00 0.00 H new ATOM 0 HG SER A 2 12.372 1.412 -43.390 1.00 0.00 H new ATOM 29 N ASP A 3 11.844 -0.409 -38.360 1.00 0.00 N ATOM 30 CA ASP A 3 10.909 -0.667 -37.276 1.00 0.00 C ATOM 31 C ASP A 3 10.133 0.600 -36.979 1.00 0.00 C ATOM 32 O ASP A 3 10.619 1.493 -36.285 1.00 0.00 O ATOM 33 CB ASP A 3 11.628 -1.148 -36.013 1.00 0.00 C ATOM 34 CG ASP A 3 10.654 -1.510 -34.905 1.00 0.00 C ATOM 35 OD1 ASP A 3 10.175 -0.598 -34.198 1.00 0.00 O ATOM 36 OD2 ASP A 3 10.364 -2.715 -34.739 1.00 0.00 O ATOM 0 H ASP A 3 12.681 0.105 -38.084 1.00 0.00 H new ATOM 0 HA ASP A 3 10.229 -1.459 -37.589 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.242 -2.016 -36.254 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.303 -0.368 -35.661 1.00 0.00 H new ATOM 41 N GLN A 4 8.937 0.693 -37.529 1.00 0.00 N ATOM 42 CA GLN A 4 8.137 1.894 -37.392 1.00 0.00 C ATOM 43 C GLN A 4 7.055 1.702 -36.342 1.00 0.00 C ATOM 44 O GLN A 4 5.894 2.061 -36.538 1.00 0.00 O ATOM 45 CB GLN A 4 7.542 2.284 -38.742 1.00 0.00 C ATOM 46 CG GLN A 4 8.598 2.458 -39.821 1.00 0.00 C ATOM 47 CD GLN A 4 8.121 3.292 -40.987 1.00 0.00 C ATOM 48 OE1 GLN A 4 7.567 2.776 -41.958 1.00 0.00 O ATOM 49 NE2 GLN A 4 8.335 4.595 -40.898 1.00 0.00 N ATOM 0 H GLN A 4 8.499 -0.049 -38.075 1.00 0.00 H new ATOM 0 HA GLN A 4 8.778 2.709 -37.056 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.831 1.520 -39.055 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.983 3.214 -38.633 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.481 2.925 -39.385 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.903 1.477 -40.184 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.798 4.981 -40.075 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.037 5.213 -41.652 1.00 0.00 H new ATOM 58 N HIS A 5 7.456 1.125 -35.222 1.00 0.00 N ATOM 59 CA HIS A 5 6.571 0.950 -34.082 1.00 0.00 C ATOM 60 C HIS A 5 6.705 2.135 -33.129 1.00 0.00 C ATOM 61 O HIS A 5 5.823 2.384 -32.304 1.00 0.00 O ATOM 62 CB HIS A 5 6.911 -0.367 -33.367 1.00 0.00 C ATOM 63 CG HIS A 5 6.294 -0.516 -32.009 1.00 0.00 C ATOM 64 ND1 HIS A 5 6.996 -0.295 -30.845 1.00 0.00 N ATOM 65 CD2 HIS A 5 5.040 -0.854 -31.633 1.00 0.00 C ATOM 66 CE1 HIS A 5 6.203 -0.493 -29.811 1.00 0.00 C ATOM 67 NE2 HIS A 5 5.009 -0.831 -30.260 1.00 0.00 N ATOM 0 H HIS A 5 8.400 0.766 -35.077 1.00 0.00 H new ATOM 0 HA HIS A 5 5.538 0.905 -34.426 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.587 -1.199 -33.992 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.994 -0.444 -33.270 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.217 -1.097 -32.289 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.483 -0.395 -28.772 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.196 -1.041 -29.682 1.00 0.00 H new ATOM 76 N ASP A 6 7.807 2.871 -33.286 1.00 0.00 N ATOM 77 CA ASP A 6 8.178 3.973 -32.391 1.00 0.00 C ATOM 78 C ASP A 6 8.611 3.417 -31.036 1.00 0.00 C ATOM 79 O ASP A 6 7.892 2.637 -30.409 1.00 0.00 O ATOM 80 CB ASP A 6 7.039 4.984 -32.226 1.00 0.00 C ATOM 81 CG ASP A 6 7.499 6.273 -31.577 1.00 0.00 C ATOM 82 OD1 ASP A 6 7.910 7.196 -32.315 1.00 0.00 O ATOM 83 OD2 ASP A 6 7.436 6.382 -30.337 1.00 0.00 O ATOM 0 H ASP A 6 8.473 2.719 -34.043 1.00 0.00 H new ATOM 0 HA ASP A 6 9.014 4.507 -32.843 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.610 5.206 -33.203 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.247 4.540 -31.623 1.00 0.00 H new ATOM 88 N GLU A 7 9.788 3.818 -30.590 1.00 0.00 N ATOM 89 CA GLU A 7 10.428 3.172 -29.453 1.00 0.00 C ATOM 90 C GLU A 7 10.275 3.962 -28.164 1.00 0.00 C ATOM 91 O GLU A 7 9.794 5.096 -28.163 1.00 0.00 O ATOM 92 CB GLU A 7 11.916 3.004 -29.722 1.00 0.00 C ATOM 93 CG GLU A 7 12.240 2.275 -31.007 1.00 0.00 C ATOM 94 CD GLU A 7 13.729 2.176 -31.214 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.312 3.111 -31.804 1.00 0.00 O ATOM 96 OE2 GLU A 7 14.330 1.186 -30.750 1.00 0.00 O ATOM 0 H GLU A 7 10.321 4.587 -30.996 1.00 0.00 H new ATOM 0 HA GLU A 7 9.934 2.208 -29.329 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.381 3.989 -29.750 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.365 2.463 -28.889 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.806 1.275 -30.981 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.787 2.797 -31.849 1.00 0.00 H new ATOM 103 N ARG A 8 10.708 3.326 -27.075 1.00 0.00 N ATOM 104 CA ARG A 8 10.887 3.979 -25.782 1.00 0.00 C ATOM 105 C ARG A 8 9.568 4.281 -25.082 1.00 0.00 C ATOM 106 O ARG A 8 8.482 4.032 -25.612 1.00 0.00 O ATOM 107 CB ARG A 8 11.719 5.254 -25.943 1.00 0.00 C ATOM 108 CG ARG A 8 13.205 4.982 -26.100 1.00 0.00 C ATOM 109 CD ARG A 8 13.906 6.114 -26.826 1.00 0.00 C ATOM 110 NE ARG A 8 13.930 5.897 -28.272 1.00 0.00 N ATOM 111 CZ ARG A 8 13.437 6.749 -29.168 1.00 0.00 C ATOM 112 NH1 ARG A 8 12.840 7.866 -28.771 1.00 0.00 N ATOM 113 NH2 ARG A 8 13.529 6.470 -30.464 1.00 0.00 N ATOM 0 H ARG A 8 10.946 2.334 -27.068 1.00 0.00 H new ATOM 0 HA ARG A 8 11.422 3.277 -25.143 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.363 5.805 -26.813 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.563 5.894 -25.075 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.656 4.845 -25.117 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.349 4.052 -26.650 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.400 7.055 -26.608 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.927 6.207 -26.455 1.00 0.00 H new ATOM 0 HE ARG A 8 14.353 5.035 -28.617 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.758 8.074 -27.776 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.464 8.516 -29.461 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.976 5.605 -30.769 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.152 7.120 -31.154 1.00 0.00 H new ATOM 127 N ARG A 9 9.683 4.793 -23.868 1.00 0.00 N ATOM 128 CA ARG A 9 8.530 5.106 -23.046 1.00 0.00 C ATOM 129 C ARG A 9 7.942 6.453 -23.437 1.00 0.00 C ATOM 130 O ARG A 9 8.414 7.496 -22.990 1.00 0.00 O ATOM 131 CB ARG A 9 8.939 5.139 -21.573 1.00 0.00 C ATOM 132 CG ARG A 9 9.570 3.849 -21.080 1.00 0.00 C ATOM 133 CD ARG A 9 10.376 4.084 -19.813 1.00 0.00 C ATOM 134 NE ARG A 9 10.956 2.850 -19.293 1.00 0.00 N ATOM 135 CZ ARG A 9 12.204 2.449 -19.527 1.00 0.00 C ATOM 136 NH1 ARG A 9 13.015 3.170 -20.294 1.00 0.00 N ATOM 137 NH2 ARG A 9 12.645 1.322 -18.989 1.00 0.00 N ATOM 0 H ARG A 9 10.578 5.003 -23.426 1.00 0.00 H new ATOM 0 HA ARG A 9 7.776 4.335 -23.202 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.642 5.958 -21.420 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.060 5.357 -20.967 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.792 3.110 -20.888 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.217 3.437 -21.855 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.172 4.800 -20.018 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.734 4.530 -19.053 1.00 0.00 H new ATOM 0 HE ARG A 9 10.366 2.255 -18.711 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.683 4.040 -20.710 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.969 2.853 -20.466 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.029 0.764 -18.397 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.600 1.012 -19.166 1.00 0.00 H new ATOM 151 N ARG A 10 6.934 6.440 -24.293 1.00 0.00 N ATOM 152 CA ARG A 10 6.250 7.670 -24.640 1.00 0.00 C ATOM 153 C ARG A 10 5.131 7.925 -23.642 1.00 0.00 C ATOM 154 O ARG A 10 4.074 7.293 -23.698 1.00 0.00 O ATOM 155 CB ARG A 10 5.698 7.626 -26.067 1.00 0.00 C ATOM 156 CG ARG A 10 5.148 8.968 -26.521 1.00 0.00 C ATOM 157 CD ARG A 10 6.233 10.033 -26.505 1.00 0.00 C ATOM 158 NE ARG A 10 5.687 11.381 -26.347 1.00 0.00 N ATOM 159 CZ ARG A 10 6.365 12.399 -25.814 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.646 12.259 -25.490 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.765 13.565 -25.620 1.00 0.00 N ATOM 0 H ARG A 10 6.576 5.603 -24.754 1.00 0.00 H new ATOM 0 HA ARG A 10 6.970 8.488 -24.598 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.488 7.312 -26.749 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.910 6.876 -26.125 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.738 8.876 -27.527 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.328 9.269 -25.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.928 9.828 -25.691 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.803 9.981 -27.432 1.00 0.00 H new ATOM 0 HE ARG A 10 4.732 11.553 -26.663 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.118 11.369 -25.648 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.158 13.042 -25.083 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.785 13.684 -25.878 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.283 14.344 -25.213 1.00 0.00 H new ATOM 175 N PHE A 11 5.381 8.837 -22.717 1.00 0.00 N ATOM 176 CA PHE A 11 4.441 9.123 -21.646 1.00 0.00 C ATOM 177 C PHE A 11 3.324 10.047 -22.128 1.00 0.00 C ATOM 178 O PHE A 11 3.580 11.075 -22.755 1.00 0.00 O ATOM 179 CB PHE A 11 5.179 9.753 -20.459 1.00 0.00 C ATOM 180 CG PHE A 11 4.353 9.861 -19.206 1.00 0.00 C ATOM 181 CD1 PHE A 11 4.377 8.848 -18.260 1.00 0.00 C ATOM 182 CD2 PHE A 11 3.560 10.974 -18.972 1.00 0.00 C ATOM 183 CE1 PHE A 11 3.627 8.942 -17.104 1.00 0.00 C ATOM 184 CE2 PHE A 11 2.806 11.072 -17.818 1.00 0.00 C ATOM 185 CZ PHE A 11 2.840 10.055 -16.883 1.00 0.00 C ATOM 0 H PHE A 11 6.234 9.396 -22.687 1.00 0.00 H new ATOM 0 HA PHE A 11 3.986 8.185 -21.327 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.069 9.162 -20.244 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.519 10.749 -20.744 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.990 7.975 -18.429 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.531 11.772 -19.699 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.656 8.146 -16.374 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.191 11.943 -17.647 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.252 10.131 -15.980 1.00 0.00 H new ATOM 195 N HIS A 12 2.090 9.652 -21.856 1.00 0.00 N ATOM 196 CA HIS A 12 0.927 10.492 -22.121 1.00 0.00 C ATOM 197 C HIS A 12 0.067 10.592 -20.871 1.00 0.00 C ATOM 198 O HIS A 12 -0.322 11.682 -20.450 1.00 0.00 O ATOM 199 CB HIS A 12 0.099 9.936 -23.285 1.00 0.00 C ATOM 200 CG HIS A 12 0.567 10.394 -24.631 1.00 0.00 C ATOM 201 ND1 HIS A 12 1.069 9.543 -25.591 1.00 0.00 N ATOM 202 CD2 HIS A 12 0.588 11.629 -25.180 1.00 0.00 C ATOM 203 CE1 HIS A 12 1.377 10.234 -26.672 1.00 0.00 C ATOM 204 NE2 HIS A 12 1.094 11.501 -26.447 1.00 0.00 N ATOM 0 H HIS A 12 1.864 8.745 -21.447 1.00 0.00 H new ATOM 0 HA HIS A 12 1.278 11.486 -22.399 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.128 8.847 -23.252 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.942 10.232 -23.152 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.266 12.546 -24.708 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.790 9.830 -27.585 1.00 0.00 H new ATOM 0 HE2 HIS A 12 1.230 12.264 -27.110 1.00 0.00 H new ATOM 213 N ARG A 13 -0.215 9.444 -20.276 1.00 0.00 N ATOM 214 CA ARG A 13 -0.957 9.380 -19.026 1.00 0.00 C ATOM 215 C ARG A 13 -0.216 8.488 -18.043 1.00 0.00 C ATOM 216 O ARG A 13 0.875 8.008 -18.357 1.00 0.00 O ATOM 217 CB ARG A 13 -2.388 8.893 -19.268 1.00 0.00 C ATOM 218 CG ARG A 13 -3.227 9.923 -20.005 1.00 0.00 C ATOM 219 CD ARG A 13 -4.652 9.460 -20.255 1.00 0.00 C ATOM 220 NE ARG A 13 -5.422 10.502 -20.935 1.00 0.00 N ATOM 221 CZ ARG A 13 -6.161 10.301 -22.020 1.00 0.00 C ATOM 222 NH1 ARG A 13 -6.337 9.078 -22.497 1.00 0.00 N ATOM 223 NH2 ARG A 13 -6.742 11.331 -22.616 1.00 0.00 N ATOM 0 H ARG A 13 0.062 8.534 -20.643 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.030 10.379 -18.596 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.363 7.968 -19.844 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.858 8.661 -18.312 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.247 10.847 -19.427 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.753 10.154 -20.959 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.644 8.553 -20.860 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.129 9.208 -19.308 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.389 11.446 -20.550 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.903 8.281 -22.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.906 8.933 -23.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.621 12.272 -22.241 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.311 11.183 -23.450 1.00 0.00 H new ATOM 237 N ILE A 14 -0.796 8.255 -16.875 1.00 0.00 N ATOM 238 CA ILE A 14 -0.069 7.621 -15.781 1.00 0.00 C ATOM 239 C ILE A 14 0.224 6.149 -16.060 1.00 0.00 C ATOM 240 O ILE A 14 -0.595 5.268 -15.804 1.00 0.00 O ATOM 241 CB ILE A 14 -0.817 7.762 -14.440 1.00 0.00 C ATOM 242 CG1 ILE A 14 -1.040 9.241 -14.111 1.00 0.00 C ATOM 243 CG2 ILE A 14 -0.039 7.088 -13.319 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.247 10.028 -13.953 1.00 0.00 C ATOM 0 H ILE A 14 -1.764 8.494 -16.659 1.00 0.00 H new ATOM 0 HA ILE A 14 0.882 8.148 -15.705 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.786 7.271 -14.533 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.639 9.694 -14.901 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.618 9.317 -13.190 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.583 7.198 -12.381 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.082 6.029 -13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.942 7.553 -13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.012 11.067 -13.721 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.838 9.600 -13.143 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.817 9.983 -14.881 1.00 0.00 H new ATOM 256 N ALA A 15 1.404 5.901 -16.603 1.00 0.00 N ATOM 257 CA ALA A 15 1.878 4.555 -16.853 1.00 0.00 C ATOM 258 C ALA A 15 3.385 4.501 -16.651 1.00 0.00 C ATOM 259 O ALA A 15 4.129 5.261 -17.272 1.00 0.00 O ATOM 260 CB ALA A 15 1.505 4.102 -18.257 1.00 0.00 C ATOM 0 H ALA A 15 2.060 6.631 -16.883 1.00 0.00 H new ATOM 0 HA ALA A 15 1.400 3.875 -16.148 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.871 3.089 -18.422 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.421 4.119 -18.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.955 4.774 -18.988 1.00 0.00 H new ATOM 266 N PHE A 16 3.825 3.622 -15.767 1.00 0.00 N ATOM 267 CA PHE A 16 5.241 3.508 -15.441 1.00 0.00 C ATOM 268 C PHE A 16 5.737 2.105 -15.764 1.00 0.00 C ATOM 269 O PHE A 16 5.001 1.293 -16.321 1.00 0.00 O ATOM 270 CB PHE A 16 5.477 3.793 -13.953 1.00 0.00 C ATOM 271 CG PHE A 16 4.812 5.040 -13.436 1.00 0.00 C ATOM 272 CD1 PHE A 16 3.711 4.949 -12.599 1.00 0.00 C ATOM 273 CD2 PHE A 16 5.289 6.296 -13.775 1.00 0.00 C ATOM 274 CE1 PHE A 16 3.099 6.085 -12.108 1.00 0.00 C ATOM 275 CE2 PHE A 16 4.679 7.439 -13.288 1.00 0.00 C ATOM 276 CZ PHE A 16 3.581 7.331 -12.452 1.00 0.00 C ATOM 0 H PHE A 16 3.222 2.974 -15.260 1.00 0.00 H new ATOM 0 HA PHE A 16 5.788 4.239 -16.036 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.121 2.941 -13.373 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.550 3.871 -13.778 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.327 3.977 -12.327 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.146 6.384 -14.426 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.243 5.998 -11.455 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.059 8.413 -13.560 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.103 8.221 -12.070 1.00 0.00 H new ATOM 286 N ASP A 17 6.976 1.817 -15.388 1.00 0.00 N ATOM 287 CA ASP A 17 7.531 0.473 -15.538 1.00 0.00 C ATOM 288 C ASP A 17 7.112 -0.404 -14.364 1.00 0.00 C ATOM 289 O ASP A 17 7.659 -1.490 -14.153 1.00 0.00 O ATOM 290 CB ASP A 17 9.061 0.512 -15.625 1.00 0.00 C ATOM 291 CG ASP A 17 9.566 1.154 -16.898 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.817 2.375 -16.888 1.00 0.00 O ATOM 293 OD2 ASP A 17 9.726 0.439 -17.914 1.00 0.00 O ATOM 0 H ASP A 17 7.618 2.494 -14.977 1.00 0.00 H new ATOM 0 HA ASP A 17 7.141 0.053 -16.465 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.454 1.059 -14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.449 -0.505 -15.559 1.00 0.00 H new ATOM 298 N ALA A 18 6.136 0.073 -13.608 1.00 0.00 N ATOM 299 CA ALA A 18 5.628 -0.654 -12.462 1.00 0.00 C ATOM 300 C ALA A 18 4.737 -1.798 -12.898 1.00 0.00 C ATOM 301 O ALA A 18 3.723 -1.586 -13.563 1.00 0.00 O ATOM 302 CB ALA A 18 4.849 0.272 -11.546 1.00 0.00 C ATOM 0 H ALA A 18 5.678 0.969 -13.772 1.00 0.00 H new ATOM 0 HA ALA A 18 6.483 -1.060 -11.921 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.475 -0.292 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.502 1.072 -11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.009 0.702 -12.092 1.00 0.00 H new ATOM 308 N ASP A 19 5.126 -3.007 -12.543 1.00 0.00 N ATOM 309 CA ASP A 19 4.259 -4.152 -12.746 1.00 0.00 C ATOM 310 C ASP A 19 3.340 -4.269 -11.542 1.00 0.00 C ATOM 311 O ASP A 19 3.773 -4.072 -10.404 1.00 0.00 O ATOM 312 CB ASP A 19 5.068 -5.438 -12.942 1.00 0.00 C ATOM 313 CG ASP A 19 4.205 -6.613 -13.373 1.00 0.00 C ATOM 314 OD1 ASP A 19 3.527 -6.505 -14.422 1.00 0.00 O ATOM 315 OD2 ASP A 19 4.224 -7.653 -12.685 1.00 0.00 O ATOM 0 H ASP A 19 6.027 -3.221 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 19 3.672 -4.009 -13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.841 -5.266 -13.691 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.577 -5.688 -12.011 1.00 0.00 H new ATOM 320 N SER A 20 2.077 -4.554 -11.788 1.00 0.00 N ATOM 321 CA SER A 20 1.082 -4.534 -10.732 1.00 0.00 C ATOM 322 C SER A 20 0.502 -5.920 -10.509 1.00 0.00 C ATOM 323 O SER A 20 0.123 -6.592 -11.459 1.00 0.00 O ATOM 324 CB SER A 20 -0.037 -3.551 -11.084 1.00 0.00 C ATOM 325 OG SER A 20 -0.943 -3.393 -10.006 1.00 0.00 O ATOM 0 H SER A 20 1.715 -4.802 -12.709 1.00 0.00 H new ATOM 0 HA SER A 20 1.567 -4.211 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.394 -2.584 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.574 -3.907 -11.963 1.00 0.00 H new ATOM 0 HG SER A 20 -1.645 -2.758 -10.259 1.00 0.00 H new ATOM 331 N GLU A 21 0.444 -6.344 -9.257 1.00 0.00 N ATOM 332 CA GLU A 21 -0.157 -7.625 -8.924 1.00 0.00 C ATOM 333 C GLU A 21 -1.494 -7.428 -8.231 1.00 0.00 C ATOM 334 O GLU A 21 -1.582 -6.699 -7.241 1.00 0.00 O ATOM 335 CB GLU A 21 0.748 -8.443 -8.007 1.00 0.00 C ATOM 336 CG GLU A 21 2.106 -8.775 -8.596 1.00 0.00 C ATOM 337 CD GLU A 21 2.875 -9.742 -7.723 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.201 -10.849 -8.199 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.134 -9.409 -6.547 1.00 0.00 O ATOM 0 H GLU A 21 0.804 -5.822 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.300 -8.163 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.894 -7.893 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.240 -9.373 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.976 -9.206 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.683 -7.858 -8.719 1.00 0.00 H new ATOM 346 N ILE A 22 -2.525 -8.065 -8.759 1.00 0.00 N ATOM 347 CA ILE A 22 -3.808 -8.119 -8.088 1.00 0.00 C ATOM 348 C ILE A 22 -3.948 -9.458 -7.379 1.00 0.00 C ATOM 349 O ILE A 22 -4.103 -10.504 -8.012 1.00 0.00 O ATOM 350 CB ILE A 22 -4.994 -7.923 -9.058 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.908 -6.550 -9.728 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.314 -8.068 -8.311 1.00 0.00 C ATOM 353 CD1 ILE A 22 -6.018 -6.292 -10.728 1.00 0.00 C ATOM 0 H ILE A 22 -2.496 -8.553 -9.654 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.837 -7.298 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.946 -8.690 -9.831 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.936 -5.778 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.947 -6.461 -10.234 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.142 -7.928 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.375 -9.063 -7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.370 -7.317 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.893 -5.300 -11.163 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.978 -7.042 -11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.983 -6.348 -10.223 1.00 0.00 H new ATOM 365 N LEU A 23 -3.857 -9.424 -6.068 1.00 0.00 N ATOM 366 CA LEU A 23 -3.949 -10.627 -5.266 1.00 0.00 C ATOM 367 C LEU A 23 -5.154 -10.553 -4.349 1.00 0.00 C ATOM 368 O LEU A 23 -5.731 -9.483 -4.149 1.00 0.00 O ATOM 369 CB LEU A 23 -2.665 -10.855 -4.450 1.00 0.00 C ATOM 370 CG LEU A 23 -2.095 -9.629 -3.727 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.338 -10.059 -2.481 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.169 -8.843 -4.647 1.00 0.00 C ATOM 0 H LEU A 23 -3.718 -8.569 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.069 -11.475 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.864 -11.628 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.898 -11.245 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.927 -8.987 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.938 -9.179 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.014 -10.587 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.518 -10.719 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.776 -7.977 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.343 -9.480 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.725 -8.508 -5.523 1.00 0.00 H new ATOM 384 N GLN A 24 -5.542 -11.697 -3.824 1.00 0.00 N ATOM 385 CA GLN A 24 -6.656 -11.775 -2.897 1.00 0.00 C ATOM 386 C GLN A 24 -6.361 -12.803 -1.814 1.00 0.00 C ATOM 387 O GLN A 24 -6.936 -13.893 -1.792 1.00 0.00 O ATOM 388 CB GLN A 24 -7.959 -12.100 -3.645 1.00 0.00 C ATOM 389 CG GLN A 24 -7.825 -13.232 -4.656 1.00 0.00 C ATOM 390 CD GLN A 24 -9.072 -13.406 -5.501 1.00 0.00 C ATOM 391 OE1 GLN A 24 -9.974 -14.166 -5.158 1.00 0.00 O ATOM 392 NE2 GLN A 24 -9.127 -12.700 -6.619 1.00 0.00 N ATOM 0 H GLN A 24 -5.099 -12.594 -4.025 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.788 -10.806 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.727 -12.364 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.303 -11.204 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.973 -13.035 -5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.614 -14.163 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.357 -12.080 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.940 -12.776 -7.231 1.00 0.00 H new ATOM 401 N GLY A 25 -5.427 -12.452 -0.938 1.00 0.00 N ATOM 402 CA GLY A 25 -5.029 -13.339 0.137 1.00 0.00 C ATOM 403 C GLY A 25 -4.135 -14.478 -0.324 1.00 0.00 C ATOM 404 O GLY A 25 -2.948 -14.522 0.005 1.00 0.00 O ATOM 0 H GLY A 25 -4.934 -11.559 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.507 -12.762 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.921 -13.754 0.606 1.00 0.00 H new ATOM 408 N GLU A 26 -4.705 -15.393 -1.094 1.00 0.00 N ATOM 409 CA GLU A 26 -4.005 -16.601 -1.502 1.00 0.00 C ATOM 410 C GLU A 26 -3.229 -16.409 -2.804 1.00 0.00 C ATOM 411 O GLU A 26 -2.001 -16.481 -2.818 1.00 0.00 O ATOM 412 CB GLU A 26 -5.002 -17.749 -1.662 1.00 0.00 C ATOM 413 CG GLU A 26 -4.383 -19.032 -2.182 1.00 0.00 C ATOM 414 CD GLU A 26 -5.418 -20.098 -2.455 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.113 -20.004 -3.490 1.00 0.00 O ATOM 416 OE2 GLU A 26 -5.534 -21.038 -1.645 1.00 0.00 O ATOM 0 H GLU A 26 -5.658 -15.320 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.283 -16.838 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.470 -17.948 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.794 -17.437 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.831 -18.821 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.662 -19.406 -1.455 1.00 0.00 H new ATOM 423 N ARG A 27 -3.943 -16.150 -3.890 1.00 0.00 N ATOM 424 CA ARG A 27 -3.333 -16.156 -5.212 1.00 0.00 C ATOM 425 C ARG A 27 -3.171 -14.750 -5.765 1.00 0.00 C ATOM 426 O ARG A 27 -3.861 -13.819 -5.344 1.00 0.00 O ATOM 427 CB ARG A 27 -4.147 -17.034 -6.163 1.00 0.00 C ATOM 428 CG ARG A 27 -3.836 -18.515 -6.018 1.00 0.00 C ATOM 429 CD ARG A 27 -4.837 -19.385 -6.760 1.00 0.00 C ATOM 430 NE ARG A 27 -4.280 -20.698 -7.086 1.00 0.00 N ATOM 431 CZ ARG A 27 -4.439 -21.797 -6.352 1.00 0.00 C ATOM 432 NH1 ARG A 27 -5.124 -21.764 -5.215 1.00 0.00 N ATOM 433 NH2 ARG A 27 -3.893 -22.936 -6.755 1.00 0.00 N ATOM 0 H ARG A 27 -4.940 -15.934 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.332 -16.577 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.209 -16.872 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.951 -16.726 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.833 -18.713 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.836 -18.783 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.731 -19.511 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.145 -18.883 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.728 -20.777 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.537 -20.888 -4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.238 -22.614 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.356 -22.966 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.010 -23.783 -6.198 1.00 0.00 H new ATOM 447 N ARG A 28 -2.238 -14.614 -6.701 1.00 0.00 N ATOM 448 CA ARG A 28 -1.858 -13.316 -7.247 1.00 0.00 C ATOM 449 C ARG A 28 -1.886 -13.357 -8.772 1.00 0.00 C ATOM 450 O ARG A 28 -1.372 -14.297 -9.378 1.00 0.00 O ATOM 451 CB ARG A 28 -0.445 -12.952 -6.770 1.00 0.00 C ATOM 452 CG ARG A 28 -0.219 -13.225 -5.291 1.00 0.00 C ATOM 453 CD ARG A 28 1.215 -12.957 -4.866 1.00 0.00 C ATOM 454 NE ARG A 28 1.442 -13.380 -3.483 1.00 0.00 N ATOM 455 CZ ARG A 28 1.781 -12.555 -2.493 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.013 -11.274 -2.742 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.901 -13.018 -1.254 1.00 0.00 N ATOM 0 H ARG A 28 -1.725 -15.399 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.567 -12.565 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.284 -13.516 -7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.263 -11.896 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.892 -12.602 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.472 -14.263 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.899 -13.487 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.434 -11.894 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 28 1.334 -14.370 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.932 -10.917 -3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.272 -10.645 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.734 -14.005 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.161 -12.386 -0.496 1.00 0.00 H new ATOM 471 N TRP A 29 -2.506 -12.356 -9.381 1.00 0.00 N ATOM 472 CA TRP A 29 -2.537 -12.235 -10.833 1.00 0.00 C ATOM 473 C TRP A 29 -2.141 -10.822 -11.234 1.00 0.00 C ATOM 474 O TRP A 29 -2.821 -9.860 -10.879 1.00 0.00 O ATOM 475 CB TRP A 29 -3.935 -12.543 -11.382 1.00 0.00 C ATOM 476 CG TRP A 29 -4.405 -13.939 -11.123 1.00 0.00 C ATOM 477 CD1 TRP A 29 -4.150 -15.044 -11.882 1.00 0.00 C ATOM 478 CD2 TRP A 29 -5.226 -14.380 -10.035 1.00 0.00 C ATOM 479 NE1 TRP A 29 -4.762 -16.144 -11.333 1.00 0.00 N ATOM 480 CE2 TRP A 29 -5.427 -15.763 -10.199 1.00 0.00 C ATOM 481 CE3 TRP A 29 -5.810 -13.739 -8.938 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -6.186 -16.515 -9.308 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -6.563 -14.487 -8.053 1.00 0.00 C ATOM 484 CH2 TRP A 29 -6.744 -15.863 -8.243 1.00 0.00 C ATOM 0 H TRP A 29 -2.998 -11.611 -8.888 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.833 -12.955 -11.251 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.647 -11.845 -10.942 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.937 -12.365 -12.457 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.554 -15.052 -12.783 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.727 -17.091 -11.709 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.675 -12.678 -8.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.329 -17.576 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.019 -14.003 -7.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.337 -16.421 -7.533 1.00 0.00 H new ATOM 495 N GLU A 30 -1.048 -10.687 -11.966 1.00 0.00 N ATOM 496 CA GLU A 30 -0.571 -9.370 -12.352 1.00 0.00 C ATOM 497 C GLU A 30 -1.401 -8.809 -13.502 1.00 0.00 C ATOM 498 O GLU A 30 -1.967 -9.552 -14.306 1.00 0.00 O ATOM 499 CB GLU A 30 0.925 -9.380 -12.701 1.00 0.00 C ATOM 500 CG GLU A 30 1.314 -10.306 -13.840 1.00 0.00 C ATOM 501 CD GLU A 30 1.311 -11.767 -13.434 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.326 -12.234 -12.872 1.00 0.00 O ATOM 503 OE2 GLU A 30 0.289 -12.449 -13.654 1.00 0.00 O ATOM 0 H GLU A 30 -0.479 -11.464 -12.302 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.693 -8.714 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.229 -8.365 -12.958 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.488 -9.666 -11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.623 -10.163 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.307 -10.035 -14.200 1.00 0.00 H new ATOM 510 N VAL A 31 -1.465 -7.493 -13.568 1.00 0.00 N ATOM 511 CA VAL A 31 -2.341 -6.805 -14.495 1.00 0.00 C ATOM 512 C VAL A 31 -1.607 -5.650 -15.176 1.00 0.00 C ATOM 513 O VAL A 31 -0.602 -5.153 -14.663 1.00 0.00 O ATOM 514 CB VAL A 31 -3.584 -6.274 -13.744 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.191 -5.210 -12.729 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.628 -5.745 -14.710 1.00 0.00 C ATOM 0 H VAL A 31 -0.911 -6.871 -12.980 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.658 -7.510 -15.263 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.028 -7.110 -13.203 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.082 -4.852 -12.214 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.499 -5.637 -12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.710 -4.378 -13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.489 -5.379 -14.151 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.202 -4.930 -15.295 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.943 -6.546 -15.379 1.00 0.00 H new ATOM 526 N LEU A 32 -2.103 -5.239 -16.336 1.00 0.00 N ATOM 527 CA LEU A 32 -1.515 -4.131 -17.071 1.00 0.00 C ATOM 528 C LEU A 32 -1.983 -2.796 -16.507 1.00 0.00 C ATOM 529 O LEU A 32 -3.183 -2.516 -16.464 1.00 0.00 O ATOM 530 CB LEU A 32 -1.884 -4.224 -18.552 1.00 0.00 C ATOM 531 CG LEU A 32 -1.245 -5.388 -19.306 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.753 -5.441 -20.737 1.00 0.00 C ATOM 533 CD2 LEU A 32 0.268 -5.256 -19.280 1.00 0.00 C ATOM 0 H LEU A 32 -2.915 -5.660 -16.788 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.432 -4.192 -16.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.968 -4.308 -18.636 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.597 -3.293 -19.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.523 -6.319 -18.813 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.286 -6.277 -21.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.835 -5.574 -20.734 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.503 -4.511 -21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.715 -6.090 -19.820 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.560 -4.319 -19.754 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.616 -5.264 -18.247 1.00 0.00 H new ATOM 545 N LEU A 33 -1.034 -1.983 -16.066 1.00 0.00 N ATOM 546 CA LEU A 33 -1.336 -0.644 -15.585 1.00 0.00 C ATOM 547 C LEU A 33 -1.665 0.265 -16.763 1.00 0.00 C ATOM 548 O LEU A 33 -0.980 0.239 -17.784 1.00 0.00 O ATOM 549 CB LEU A 33 -0.145 -0.080 -14.799 1.00 0.00 C ATOM 550 CG LEU A 33 -0.338 1.329 -14.231 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.473 1.348 -13.218 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.953 1.830 -13.602 1.00 0.00 C ATOM 0 H LEU A 33 -0.045 -2.229 -16.032 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.199 -0.693 -14.921 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.078 -0.758 -13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.728 -0.073 -15.451 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.603 1.998 -15.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.594 2.358 -12.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.398 1.033 -13.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.241 0.667 -12.399 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.798 2.833 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.248 1.160 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.739 1.857 -14.357 1.00 0.00 H new ATOM 564 N HIS A 34 -2.729 1.041 -16.637 1.00 0.00 N ATOM 565 CA HIS A 34 -3.118 1.966 -17.693 1.00 0.00 C ATOM 566 C HIS A 34 -3.132 3.398 -17.170 1.00 0.00 C ATOM 567 O HIS A 34 -2.772 4.325 -17.894 1.00 0.00 O ATOM 568 CB HIS A 34 -4.483 1.587 -18.281 1.00 0.00 C ATOM 569 CG HIS A 34 -4.443 0.393 -19.196 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.720 0.470 -20.544 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.179 -0.918 -18.950 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.636 -0.732 -21.081 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.310 -1.591 -20.141 1.00 0.00 N ATOM 0 H HIS A 34 -3.338 1.050 -15.818 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.380 1.899 -18.492 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.175 1.383 -17.464 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.880 2.440 -18.831 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.915 -1.350 -17.996 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.807 -0.971 -22.120 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.176 -2.593 -20.274 1.00 0.00 H new ATOM 582 N ASP A 35 -3.562 3.562 -15.920 1.00 0.00 N ATOM 583 CA ASP A 35 -3.498 4.851 -15.227 1.00 0.00 C ATOM 584 C ASP A 35 -3.807 4.627 -13.746 1.00 0.00 C ATOM 585 O ASP A 35 -4.357 3.586 -13.382 1.00 0.00 O ATOM 586 CB ASP A 35 -4.488 5.856 -15.838 1.00 0.00 C ATOM 587 CG ASP A 35 -4.118 7.304 -15.545 1.00 0.00 C ATOM 588 OD1 ASP A 35 -4.152 7.708 -14.367 1.00 0.00 O ATOM 589 OD2 ASP A 35 -3.804 8.054 -16.500 1.00 0.00 O ATOM 0 H ASP A 35 -3.963 2.810 -15.360 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.498 5.270 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.529 5.708 -16.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.487 5.656 -15.451 1.00 0.00 H new ATOM 594 N VAL A 36 -3.453 5.581 -12.894 1.00 0.00 N ATOM 595 CA VAL A 36 -3.674 5.450 -11.457 1.00 0.00 C ATOM 596 C VAL A 36 -3.603 6.816 -10.771 1.00 0.00 C ATOM 597 O VAL A 36 -2.804 7.674 -11.145 1.00 0.00 O ATOM 598 CB VAL A 36 -2.662 4.471 -10.801 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.228 4.934 -11.001 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.957 4.293 -9.318 1.00 0.00 C ATOM 0 H VAL A 36 -3.010 6.457 -13.173 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.673 5.036 -11.323 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.778 3.507 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.548 4.225 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.010 4.992 -12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.097 5.918 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.234 3.603 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.886 5.257 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.962 3.891 -9.193 1.00 0.00 H new ATOM 610 N SER A 37 -4.458 7.016 -9.778 1.00 0.00 N ATOM 611 CA SER A 37 -4.489 8.261 -9.031 1.00 0.00 C ATOM 612 C SER A 37 -4.566 7.977 -7.534 1.00 0.00 C ATOM 613 O SER A 37 -4.510 6.825 -7.108 1.00 0.00 O ATOM 614 CB SER A 37 -5.696 9.101 -9.462 1.00 0.00 C ATOM 615 OG SER A 37 -6.909 8.387 -9.278 1.00 0.00 O ATOM 0 H SER A 37 -5.143 6.325 -9.471 1.00 0.00 H new ATOM 0 HA SER A 37 -3.574 8.816 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.724 10.025 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.592 9.382 -10.510 1.00 0.00 H new ATOM 0 HG SER A 37 -6.765 7.439 -9.481 1.00 0.00 H new ATOM 621 N LEU A 38 -4.718 9.033 -6.744 1.00 0.00 N ATOM 622 CA LEU A 38 -4.878 8.900 -5.299 1.00 0.00 C ATOM 623 C LEU A 38 -6.317 8.501 -4.967 1.00 0.00 C ATOM 624 O LEU A 38 -6.680 8.296 -3.812 1.00 0.00 O ATOM 625 CB LEU A 38 -4.526 10.230 -4.620 1.00 0.00 C ATOM 626 CG LEU A 38 -4.592 10.228 -3.091 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.522 9.323 -2.509 1.00 0.00 C ATOM 628 CD2 LEU A 38 -4.453 11.643 -2.551 1.00 0.00 C ATOM 0 H LEU A 38 -4.734 9.996 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.208 8.123 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.519 10.517 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.202 10.999 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.565 9.840 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.587 9.336 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.671 8.305 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.539 9.677 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.502 11.623 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.495 12.059 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.262 12.262 -2.940 1.00 0.00 H new ATOM 640 N HIS A 39 -7.129 8.396 -6.007 1.00 0.00 N ATOM 641 CA HIS A 39 -8.556 8.127 -5.852 1.00 0.00 C ATOM 642 C HIS A 39 -8.850 6.694 -6.233 1.00 0.00 C ATOM 643 O HIS A 39 -9.565 5.971 -5.541 1.00 0.00 O ATOM 644 CB HIS A 39 -9.364 9.068 -6.755 1.00 0.00 C ATOM 645 CG HIS A 39 -8.828 10.461 -6.766 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.721 11.234 -7.898 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.321 11.196 -5.766 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.164 12.389 -7.584 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.914 12.392 -6.293 1.00 0.00 N ATOM 0 H HIS A 39 -6.824 8.493 -6.976 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.837 8.292 -4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.365 8.676 -7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.401 9.085 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.247 10.898 -4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.950 13.195 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.488 13.158 -5.771 1.00 0.00 H new ATOM 658 N GLY A 40 -8.274 6.297 -7.344 1.00 0.00 N ATOM 659 CA GLY A 40 -8.480 4.962 -7.853 1.00 0.00 C ATOM 660 C GLY A 40 -7.467 4.589 -8.909 1.00 0.00 C ATOM 661 O GLY A 40 -6.731 5.447 -9.401 1.00 0.00 O ATOM 0 H GLY A 40 -7.659 6.880 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.423 4.249 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.483 4.886 -8.272 1.00 0.00 H new ATOM 665 N ILE A 41 -7.436 3.314 -9.259 1.00 0.00 N ATOM 666 CA ILE A 41 -6.495 2.805 -10.245 1.00 0.00 C ATOM 667 C ILE A 41 -7.241 2.149 -11.407 1.00 0.00 C ATOM 668 O ILE A 41 -8.237 1.450 -11.203 1.00 0.00 O ATOM 669 CB ILE A 41 -5.503 1.797 -9.605 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.530 1.249 -10.654 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.251 0.658 -8.922 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.452 0.356 -10.075 1.00 0.00 C ATOM 0 H ILE A 41 -8.058 2.605 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.921 3.649 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.926 2.328 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.092 0.688 -11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.059 2.085 -11.171 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.534 -0.035 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.893 1.062 -8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.861 0.131 -9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.801 0.006 -10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.864 0.919 -9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.914 -0.500 -9.582 1.00 0.00 H new ATOM 684 N LEU A 42 -6.772 2.399 -12.621 1.00 0.00 N ATOM 685 CA LEU A 42 -7.377 1.820 -13.809 1.00 0.00 C ATOM 686 C LEU A 42 -6.417 0.832 -14.458 1.00 0.00 C ATOM 687 O LEU A 42 -5.372 1.215 -14.998 1.00 0.00 O ATOM 688 CB LEU A 42 -7.763 2.914 -14.807 1.00 0.00 C ATOM 689 CG LEU A 42 -8.394 2.411 -16.109 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.699 1.681 -15.829 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.624 3.565 -17.068 1.00 0.00 C ATOM 0 H LEU A 42 -5.971 3.002 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.282 1.291 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.461 3.596 -14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.872 3.491 -15.053 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.703 1.707 -16.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.130 1.333 -16.768 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.506 0.827 -15.179 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.398 2.359 -15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.073 3.190 -17.988 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.293 4.292 -16.608 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.672 4.043 -17.298 1.00 0.00 H new ATOM 703 N VAL A 43 -6.767 -0.438 -14.397 1.00 0.00 N ATOM 704 CA VAL A 43 -5.932 -1.484 -14.963 1.00 0.00 C ATOM 705 C VAL A 43 -6.651 -2.190 -16.104 1.00 0.00 C ATOM 706 O VAL A 43 -7.838 -1.959 -16.334 1.00 0.00 O ATOM 707 CB VAL A 43 -5.517 -2.517 -13.898 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.676 -1.859 -12.813 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.739 -3.190 -13.296 1.00 0.00 C ATOM 0 H VAL A 43 -7.626 -0.773 -13.960 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.032 -1.004 -15.347 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.912 -3.283 -14.383 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.393 -2.605 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.778 -1.431 -13.258 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.254 -1.070 -12.333 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.423 -3.915 -12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.375 -2.438 -12.828 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.298 -3.700 -14.081 1.00 0.00 H new ATOM 719 N GLY A 44 -5.925 -3.039 -16.815 1.00 0.00 N ATOM 720 CA GLY A 44 -6.505 -3.762 -17.926 1.00 0.00 C ATOM 721 C GLY A 44 -6.205 -5.244 -17.871 1.00 0.00 C ATOM 722 O GLY A 44 -5.042 -5.650 -17.908 1.00 0.00 O ATOM 0 H GLY A 44 -4.940 -3.240 -16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.585 -3.613 -17.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.124 -3.352 -18.861 1.00 0.00 H new ATOM 726 N GLN A 45 -7.252 -6.049 -17.774 1.00 0.00 N ATOM 727 CA GLN A 45 -7.114 -7.496 -17.747 1.00 0.00 C ATOM 728 C GLN A 45 -7.603 -8.092 -19.059 1.00 0.00 C ATOM 729 O GLN A 45 -8.429 -7.489 -19.747 1.00 0.00 O ATOM 730 CB GLN A 45 -7.896 -8.099 -16.577 1.00 0.00 C ATOM 731 CG GLN A 45 -7.265 -7.838 -15.223 1.00 0.00 C ATOM 732 CD GLN A 45 -8.012 -8.514 -14.093 1.00 0.00 C ATOM 733 OE1 GLN A 45 -8.911 -7.934 -13.493 1.00 0.00 O ATOM 734 NE2 GLN A 45 -7.645 -9.751 -13.800 1.00 0.00 N ATOM 0 H GLN A 45 -8.215 -5.720 -17.712 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.059 -7.735 -17.614 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.908 -7.694 -16.581 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.983 -9.175 -16.726 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.233 -8.190 -15.233 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.234 -6.764 -15.042 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.892 -10.197 -14.324 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.115 -10.258 -13.050 1.00 0.00 H new ATOM 743 N PRO A 46 -7.088 -9.273 -19.431 1.00 0.00 N ATOM 744 CA PRO A 46 -7.485 -9.956 -20.664 1.00 0.00 C ATOM 745 C PRO A 46 -8.976 -10.291 -20.686 1.00 0.00 C ATOM 746 O PRO A 46 -9.719 -9.757 -21.512 1.00 0.00 O ATOM 747 CB PRO A 46 -6.636 -11.231 -20.670 1.00 0.00 C ATOM 748 CG PRO A 46 -5.510 -10.951 -19.736 1.00 0.00 C ATOM 749 CD PRO A 46 -6.069 -10.032 -18.689 1.00 0.00 C ATOM 0 HA PRO A 46 -7.325 -9.332 -21.543 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.216 -12.093 -20.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.271 -11.457 -21.672 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.134 -11.871 -19.289 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.674 -10.486 -20.259 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.503 -10.585 -17.856 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.302 -9.379 -18.273 1.00 0.00 H new ATOM 757 N GLN A 47 -9.418 -11.161 -19.778 1.00 0.00 N ATOM 758 CA GLN A 47 -10.831 -11.531 -19.715 1.00 0.00 C ATOM 759 C GLN A 47 -11.183 -12.231 -18.400 1.00 0.00 C ATOM 760 O GLN A 47 -12.189 -11.905 -17.769 1.00 0.00 O ATOM 761 CB GLN A 47 -11.195 -12.442 -20.894 1.00 0.00 C ATOM 762 CG GLN A 47 -12.673 -12.809 -20.968 1.00 0.00 C ATOM 763 CD GLN A 47 -13.566 -11.640 -21.352 1.00 0.00 C ATOM 764 OE1 GLN A 47 -13.264 -10.483 -21.061 1.00 0.00 O ATOM 765 NE2 GLN A 47 -14.675 -11.939 -22.010 1.00 0.00 N ATOM 0 H GLN A 47 -8.826 -11.618 -19.084 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.408 -10.608 -19.770 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.908 -11.948 -21.822 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.608 -13.358 -20.826 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.805 -13.611 -21.694 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.992 -13.198 -20.001 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.890 -12.911 -22.232 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.315 -11.197 -22.295 1.00 0.00 H new ATOM 774 N ASP A 48 -10.356 -13.188 -17.993 1.00 0.00 N ATOM 775 CA ASP A 48 -10.662 -14.041 -16.842 1.00 0.00 C ATOM 776 C ASP A 48 -10.645 -13.253 -15.531 1.00 0.00 C ATOM 777 O ASP A 48 -9.864 -12.313 -15.372 1.00 0.00 O ATOM 778 CB ASP A 48 -9.665 -15.200 -16.771 1.00 0.00 C ATOM 779 CG ASP A 48 -10.008 -16.202 -15.691 1.00 0.00 C ATOM 780 OD1 ASP A 48 -9.273 -16.278 -14.687 1.00 0.00 O ATOM 781 OD2 ASP A 48 -11.012 -16.928 -15.848 1.00 0.00 O ATOM 0 H ASP A 48 -9.464 -13.396 -18.443 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.669 -14.434 -16.978 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.635 -15.708 -17.735 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.666 -14.804 -16.589 1.00 0.00 H new ATOM 786 N TRP A 49 -11.512 -13.641 -14.598 1.00 0.00 N ATOM 787 CA TRP A 49 -11.620 -12.950 -13.318 1.00 0.00 C ATOM 788 C TRP A 49 -12.099 -13.920 -12.232 1.00 0.00 C ATOM 789 O TRP A 49 -12.168 -15.127 -12.467 1.00 0.00 O ATOM 790 CB TRP A 49 -12.580 -11.767 -13.452 1.00 0.00 C ATOM 791 CG TRP A 49 -12.271 -10.614 -12.538 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.096 -9.566 -12.256 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.060 -10.383 -11.795 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.478 -8.699 -11.394 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.232 -9.177 -11.095 1.00 0.00 C ATOM 796 CE3 TRP A 49 -9.850 -11.074 -11.648 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.246 -8.645 -10.270 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.874 -10.544 -10.828 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.079 -9.340 -10.147 1.00 0.00 C ATOM 0 H TRP A 49 -12.149 -14.430 -14.706 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.639 -12.573 -13.027 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.561 -11.414 -14.483 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.594 -12.113 -13.252 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.092 -9.438 -12.654 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.882 -7.835 -11.033 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.684 -12.006 -12.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.399 -7.714 -9.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.937 -11.068 -10.711 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.297 -8.953 -9.511 1.00 0.00 H new ATOM 810 N ASN A 50 -12.436 -13.401 -11.050 1.00 0.00 N ATOM 811 CA ASN A 50 -12.842 -14.256 -9.936 1.00 0.00 C ATOM 812 C ASN A 50 -14.347 -14.525 -9.969 1.00 0.00 C ATOM 813 O ASN A 50 -14.766 -15.666 -10.150 1.00 0.00 O ATOM 814 CB ASN A 50 -12.415 -13.659 -8.579 1.00 0.00 C ATOM 815 CG ASN A 50 -13.047 -12.312 -8.262 1.00 0.00 C ATOM 816 OD1 ASN A 50 -13.332 -11.516 -9.157 1.00 0.00 O ATOM 817 ND2 ASN A 50 -13.282 -12.057 -6.985 1.00 0.00 N ATOM 0 H ASN A 50 -12.436 -12.403 -10.841 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.327 -15.210 -10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.673 -14.363 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.331 -13.550 -8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.714 -11.174 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.031 -12.743 -6.273 1.00 0.00 H new ATOM 824 N GLY A 51 -15.159 -13.491 -9.788 1.00 0.00 N ATOM 825 CA GLY A 51 -16.588 -13.672 -9.883 1.00 0.00 C ATOM 826 C GLY A 51 -17.348 -12.366 -9.901 1.00 0.00 C ATOM 827 O GLY A 51 -18.044 -12.059 -10.869 1.00 0.00 O ATOM 0 H GLY A 51 -14.854 -12.540 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.818 -14.233 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.929 -14.273 -9.040 1.00 0.00 H new ATOM 831 N ASP A 52 -17.204 -11.585 -8.842 1.00 0.00 N ATOM 832 CA ASP A 52 -17.999 -10.376 -8.679 1.00 0.00 C ATOM 833 C ASP A 52 -17.147 -9.234 -8.132 1.00 0.00 C ATOM 834 O ASP A 52 -16.140 -9.468 -7.462 1.00 0.00 O ATOM 835 CB ASP A 52 -19.183 -10.650 -7.748 1.00 0.00 C ATOM 836 CG ASP A 52 -18.766 -10.830 -6.302 1.00 0.00 C ATOM 837 OD1 ASP A 52 -19.185 -10.014 -5.457 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.024 -11.789 -6.005 1.00 0.00 O ATOM 0 H ASP A 52 -16.546 -11.765 -8.084 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.377 -10.077 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.891 -9.824 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.704 -11.546 -8.085 1.00 0.00 H new ATOM 843 N PRO A 53 -17.544 -7.981 -8.417 1.00 0.00 N ATOM 844 CA PRO A 53 -16.780 -6.794 -8.024 1.00 0.00 C ATOM 845 C PRO A 53 -17.005 -6.370 -6.572 1.00 0.00 C ATOM 846 O PRO A 53 -16.403 -5.404 -6.104 1.00 0.00 O ATOM 847 CB PRO A 53 -17.319 -5.723 -8.969 1.00 0.00 C ATOM 848 CG PRO A 53 -18.736 -6.115 -9.202 1.00 0.00 C ATOM 849 CD PRO A 53 -18.766 -7.621 -9.169 1.00 0.00 C ATOM 0 HA PRO A 53 -15.707 -6.971 -8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.249 -4.730 -8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.756 -5.696 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.387 -5.696 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.091 -5.739 -10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.664 -7.993 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.757 -8.044 -10.174 1.00 0.00 H new ATOM 857 N GLN A 54 -17.863 -7.086 -5.856 1.00 0.00 N ATOM 858 CA GLN A 54 -18.167 -6.723 -4.478 1.00 0.00 C ATOM 859 C GLN A 54 -17.074 -7.254 -3.555 1.00 0.00 C ATOM 860 O GLN A 54 -16.918 -6.802 -2.419 1.00 0.00 O ATOM 861 CB GLN A 54 -19.541 -7.261 -4.066 1.00 0.00 C ATOM 862 CG GLN A 54 -20.060 -6.684 -2.758 1.00 0.00 C ATOM 863 CD GLN A 54 -20.245 -5.177 -2.806 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.092 -4.491 -1.794 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.592 -4.651 -3.973 1.00 0.00 N ATOM 0 H GLN A 54 -18.355 -7.910 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.199 -5.637 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -20.258 -7.044 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.484 -8.346 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.012 -7.154 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.365 -6.934 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.709 -5.252 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.742 -3.645 -4.055 1.00 0.00 H new ATOM 874 N ARG A 55 -16.315 -8.210 -4.067 1.00 0.00 N ATOM 875 CA ARG A 55 -15.180 -8.760 -3.348 1.00 0.00 C ATOM 876 C ARG A 55 -13.948 -7.879 -3.542 1.00 0.00 C ATOM 877 O ARG A 55 -13.562 -7.584 -4.672 1.00 0.00 O ATOM 878 CB ARG A 55 -14.927 -10.202 -3.804 1.00 0.00 C ATOM 879 CG ARG A 55 -15.855 -11.186 -3.112 1.00 0.00 C ATOM 880 CD ARG A 55 -15.861 -12.550 -3.776 1.00 0.00 C ATOM 881 NE ARG A 55 -16.575 -13.532 -2.959 1.00 0.00 N ATOM 882 CZ ARG A 55 -17.905 -13.642 -2.909 1.00 0.00 C ATOM 883 NH1 ARG A 55 -18.667 -12.937 -3.733 1.00 0.00 N ATOM 884 NH2 ARG A 55 -18.470 -14.488 -2.058 1.00 0.00 N ATOM 0 H ARG A 55 -16.468 -8.623 -4.987 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.401 -8.778 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.064 -10.271 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.892 -10.472 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.552 -11.295 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.868 -10.783 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.331 -12.478 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.836 -12.884 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.021 -14.174 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.238 -12.306 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.682 -13.025 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.889 -15.055 -1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.486 -14.571 -2.020 1.00 0.00 H new ATOM 898 N PRO A 56 -13.338 -7.426 -2.431 1.00 0.00 N ATOM 899 CA PRO A 56 -12.194 -6.503 -2.462 1.00 0.00 C ATOM 900 C PRO A 56 -10.932 -7.145 -3.030 1.00 0.00 C ATOM 901 O PRO A 56 -10.785 -8.369 -3.025 1.00 0.00 O ATOM 902 CB PRO A 56 -11.991 -6.134 -0.991 1.00 0.00 C ATOM 903 CG PRO A 56 -12.574 -7.270 -0.228 1.00 0.00 C ATOM 904 CD PRO A 56 -13.720 -7.783 -1.053 1.00 0.00 C ATOM 0 HA PRO A 56 -12.387 -5.647 -3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.934 -6.003 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.490 -5.196 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.832 -8.051 -0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.916 -6.945 0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.847 -8.859 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.662 -7.318 -0.764 1.00 0.00 H new ATOM 912 N PHE A 57 -10.015 -6.312 -3.506 1.00 0.00 N ATOM 913 CA PHE A 57 -8.809 -6.794 -4.153 1.00 0.00 C ATOM 914 C PHE A 57 -7.576 -6.069 -3.616 1.00 0.00 C ATOM 915 O PHE A 57 -7.686 -5.003 -3.003 1.00 0.00 O ATOM 916 CB PHE A 57 -8.922 -6.616 -5.674 1.00 0.00 C ATOM 917 CG PHE A 57 -10.009 -7.457 -6.292 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.153 -6.877 -6.833 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.888 -8.838 -6.318 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.146 -7.664 -7.387 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.878 -9.623 -6.871 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.008 -9.035 -7.405 1.00 0.00 C ATOM 0 H PHE A 57 -10.087 -5.296 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.697 -7.855 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.113 -5.566 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.968 -6.871 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.266 -5.803 -6.820 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.008 -9.305 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.029 -7.204 -7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.770 -10.697 -6.886 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.784 -9.650 -7.837 1.00 0.00 H new ATOM 932 N GLU A 58 -6.410 -6.665 -3.823 1.00 0.00 N ATOM 933 CA GLU A 58 -5.153 -6.076 -3.382 1.00 0.00 C ATOM 934 C GLU A 58 -4.282 -5.753 -4.584 1.00 0.00 C ATOM 935 O GLU A 58 -4.092 -6.600 -5.457 1.00 0.00 O ATOM 936 CB GLU A 58 -4.401 -7.047 -2.470 1.00 0.00 C ATOM 937 CG GLU A 58 -5.206 -7.522 -1.275 1.00 0.00 C ATOM 938 CD GLU A 58 -4.472 -8.568 -0.466 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.550 -8.198 0.292 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.823 -9.762 -0.570 1.00 0.00 O ATOM 0 H GLU A 58 -6.308 -7.562 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.376 -5.162 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.093 -7.914 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.492 -6.564 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.440 -6.670 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.155 -7.933 -1.619 1.00 0.00 H new ATOM 947 N ALA A 59 -3.754 -4.541 -4.634 1.00 0.00 N ATOM 948 CA ALA A 59 -2.884 -4.147 -5.728 1.00 0.00 C ATOM 949 C ALA A 59 -1.505 -3.775 -5.212 1.00 0.00 C ATOM 950 O ALA A 59 -1.372 -2.975 -4.285 1.00 0.00 O ATOM 951 CB ALA A 59 -3.487 -2.989 -6.504 1.00 0.00 C ATOM 0 H ALA A 59 -3.912 -3.817 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.782 -4.998 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.819 -2.710 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.452 -3.288 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.623 -2.137 -5.838 1.00 0.00 H new ATOM 957 N ARG A 60 -0.483 -4.378 -5.797 1.00 0.00 N ATOM 958 CA ARG A 60 0.889 -4.045 -5.457 1.00 0.00 C ATOM 959 C ARG A 60 1.605 -3.496 -6.682 1.00 0.00 C ATOM 960 O ARG A 60 1.455 -4.027 -7.781 1.00 0.00 O ATOM 961 CB ARG A 60 1.638 -5.265 -4.915 1.00 0.00 C ATOM 962 CG ARG A 60 0.915 -5.965 -3.777 1.00 0.00 C ATOM 963 CD ARG A 60 1.852 -6.853 -2.981 1.00 0.00 C ATOM 964 NE ARG A 60 2.626 -7.761 -3.827 1.00 0.00 N ATOM 965 CZ ARG A 60 3.720 -8.396 -3.415 1.00 0.00 C ATOM 966 NH1 ARG A 60 4.155 -8.233 -2.171 1.00 0.00 N ATOM 967 NH2 ARG A 60 4.373 -9.192 -4.248 1.00 0.00 N ATOM 0 H ARG A 60 -0.579 -5.101 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 60 0.872 -3.286 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.794 -5.975 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.624 -4.952 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.469 -5.221 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.098 -6.565 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.535 -6.229 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.272 -7.436 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 60 2.310 -7.916 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.650 -7.620 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.994 -8.720 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.037 -9.317 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.212 -9.680 -3.935 1.00 0.00 H new ATOM 981 N LEU A 61 2.367 -2.436 -6.489 1.00 0.00 N ATOM 982 CA LEU A 61 3.063 -1.783 -7.586 1.00 0.00 C ATOM 983 C LEU A 61 4.574 -1.875 -7.405 1.00 0.00 C ATOM 984 O LEU A 61 5.119 -1.399 -6.407 1.00 0.00 O ATOM 985 CB LEU A 61 2.640 -0.314 -7.679 1.00 0.00 C ATOM 986 CG LEU A 61 1.179 -0.071 -8.058 1.00 0.00 C ATOM 987 CD1 LEU A 61 0.831 1.404 -7.921 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.915 -0.543 -9.479 1.00 0.00 C ATOM 0 H LEU A 61 2.521 -2.005 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 61 2.794 -2.295 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.832 0.162 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.275 0.183 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 61 0.547 -0.642 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.213 1.559 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.986 1.720 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.470 1.991 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.129 -0.363 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.557 0.005 -10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.128 -1.609 -9.554 1.00 0.00 H new ATOM 1000 N TYR A 62 5.240 -2.496 -8.366 1.00 0.00 N ATOM 1001 CA TYR A 62 6.695 -2.576 -8.361 1.00 0.00 C ATOM 1002 C TYR A 62 7.298 -1.343 -9.030 1.00 0.00 C ATOM 1003 O TYR A 62 7.488 -1.323 -10.244 1.00 0.00 O ATOM 1004 CB TYR A 62 7.175 -3.835 -9.091 1.00 0.00 C ATOM 1005 CG TYR A 62 6.891 -5.135 -8.370 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.888 -5.767 -7.636 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.643 -5.744 -8.440 1.00 0.00 C ATOM 1008 CE1 TYR A 62 7.650 -6.965 -6.995 1.00 0.00 C ATOM 1009 CE2 TYR A 62 5.395 -6.941 -7.795 1.00 0.00 C ATOM 1010 CZ TYR A 62 6.403 -7.547 -7.077 1.00 0.00 C ATOM 1011 OH TYR A 62 6.169 -8.747 -6.450 1.00 0.00 O ATOM 0 H TYR A 62 4.796 -2.954 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 62 7.023 -2.622 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.704 -3.870 -10.073 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.249 -3.755 -9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.865 -5.312 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.854 -5.274 -9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.437 -7.445 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.418 -7.398 -7.853 1.00 0.00 H new ATOM 0 HH TYR A 62 5.273 -9.068 -6.682 1.00 0.00 H new ATOM 1021 N LEU A 63 7.579 -0.311 -8.243 1.00 0.00 N ATOM 1022 CA LEU A 63 8.178 0.911 -8.777 1.00 0.00 C ATOM 1023 C LEU A 63 9.689 0.759 -8.837 1.00 0.00 C ATOM 1024 O LEU A 63 10.361 1.345 -9.691 1.00 0.00 O ATOM 1025 CB LEU A 63 7.806 2.127 -7.919 1.00 0.00 C ATOM 1026 CG LEU A 63 6.464 2.794 -8.246 1.00 0.00 C ATOM 1027 CD1 LEU A 63 5.311 1.819 -8.096 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.249 4.008 -7.354 1.00 0.00 C ATOM 0 H LEU A 63 7.404 -0.293 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 63 7.790 1.074 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.791 1.818 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.594 2.873 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 63 6.494 3.118 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.375 2.323 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.454 0.979 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.275 1.454 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.293 4.473 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.247 3.696 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.053 4.726 -7.517 1.00 0.00 H new ATOM 1040 N GLY A 64 10.206 -0.040 -7.924 1.00 0.00 N ATOM 1041 CA GLY A 64 11.620 -0.317 -7.876 1.00 0.00 C ATOM 1042 C GLY A 64 11.889 -1.555 -7.060 1.00 0.00 C ATOM 1043 O GLY A 64 10.951 -2.243 -6.658 1.00 0.00 O ATOM 0 H GLY A 64 9.659 -0.510 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.005 -0.450 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.148 0.533 -7.443 1.00 0.00 H new ATOM 1047 N LEU A 65 13.152 -1.836 -6.796 1.00 0.00 N ATOM 1048 CA LEU A 65 13.513 -3.011 -6.019 1.00 0.00 C ATOM 1049 C LEU A 65 13.176 -2.776 -4.547 1.00 0.00 C ATOM 1050 O LEU A 65 12.682 -3.669 -3.854 1.00 0.00 O ATOM 1051 CB LEU A 65 15.004 -3.320 -6.204 1.00 0.00 C ATOM 1052 CG LEU A 65 15.436 -4.767 -5.922 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.496 -5.051 -4.430 1.00 0.00 C ATOM 1054 CD2 LEU A 65 14.496 -5.745 -6.612 1.00 0.00 C ATOM 0 H LEU A 65 13.943 -1.271 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 65 12.943 -3.872 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.281 -3.073 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.575 -2.659 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 65 16.440 -4.898 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.805 -6.084 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.215 -4.379 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.511 -4.894 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.815 -6.766 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.482 -5.599 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.517 -5.572 -7.688 1.00 0.00 H new ATOM 1066 N ASP A 66 13.418 -1.557 -4.086 1.00 0.00 N ATOM 1067 CA ASP A 66 13.148 -1.193 -2.701 1.00 0.00 C ATOM 1068 C ASP A 66 11.805 -0.485 -2.579 1.00 0.00 C ATOM 1069 O ASP A 66 11.312 -0.255 -1.475 1.00 0.00 O ATOM 1070 CB ASP A 66 14.259 -0.289 -2.152 1.00 0.00 C ATOM 1071 CG ASP A 66 14.292 1.075 -2.816 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.047 2.087 -2.125 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.564 1.138 -4.033 1.00 0.00 O ATOM 0 H ASP A 66 13.802 -0.801 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 66 13.116 -2.112 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.120 -0.162 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.222 -0.779 -2.293 1.00 0.00 H new ATOM 1078 N VAL A 67 11.204 -0.154 -3.714 1.00 0.00 N ATOM 1079 CA VAL A 67 9.954 0.585 -3.714 1.00 0.00 C ATOM 1080 C VAL A 67 8.787 -0.320 -4.093 1.00 0.00 C ATOM 1081 O VAL A 67 8.446 -0.463 -5.273 1.00 0.00 O ATOM 1082 CB VAL A 67 9.997 1.796 -4.673 1.00 0.00 C ATOM 1083 CG1 VAL A 67 8.744 2.648 -4.523 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.244 2.635 -4.435 1.00 0.00 C ATOM 0 H VAL A 67 11.562 -0.385 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 67 9.810 0.957 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 67 10.033 1.415 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.796 3.495 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.865 2.047 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.673 3.013 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.250 3.481 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.245 3.002 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.131 2.024 -4.603 1.00 0.00 H new ATOM 1094 N LEU A 68 8.202 -0.954 -3.088 1.00 0.00 N ATOM 1095 CA LEU A 68 7.021 -1.778 -3.283 1.00 0.00 C ATOM 1096 C LEU A 68 5.793 -1.037 -2.775 1.00 0.00 C ATOM 1097 O LEU A 68 5.647 -0.807 -1.574 1.00 0.00 O ATOM 1098 CB LEU A 68 7.169 -3.117 -2.555 1.00 0.00 C ATOM 1099 CG LEU A 68 5.983 -4.073 -2.705 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.801 -4.478 -4.160 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.176 -5.300 -1.826 1.00 0.00 C ATOM 0 H LEU A 68 8.530 -0.912 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 68 6.906 -1.981 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.066 -3.615 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.325 -2.921 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 68 5.080 -3.556 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.953 -5.158 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.616 -3.590 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.703 -4.977 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.324 -5.970 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.089 -5.818 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.254 -4.992 -0.783 1.00 0.00 H new ATOM 1113 N ILE A 69 4.926 -0.646 -3.689 1.00 0.00 N ATOM 1114 CA ILE A 69 3.739 0.113 -3.334 1.00 0.00 C ATOM 1115 C ILE A 69 2.572 -0.820 -3.046 1.00 0.00 C ATOM 1116 O ILE A 69 2.352 -1.792 -3.768 1.00 0.00 O ATOM 1117 CB ILE A 69 3.351 1.104 -4.453 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.501 2.079 -4.711 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.082 1.864 -4.094 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.857 2.924 -3.511 1.00 0.00 C ATOM 0 H ILE A 69 5.020 -0.841 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 69 3.971 0.683 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 69 3.156 0.535 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.381 1.516 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.232 2.734 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.832 2.555 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.263 1.159 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.241 2.424 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.680 3.591 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.991 3.514 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.158 2.277 -2.687 1.00 0.00 H new ATOM 1132 N ARG A 70 1.849 -0.530 -1.979 1.00 0.00 N ATOM 1133 CA ARG A 70 0.672 -1.299 -1.617 1.00 0.00 C ATOM 1134 C ARG A 70 -0.546 -0.383 -1.609 1.00 0.00 C ATOM 1135 O ARG A 70 -0.435 0.799 -1.264 1.00 0.00 O ATOM 1136 CB ARG A 70 0.857 -1.948 -0.241 1.00 0.00 C ATOM 1137 CG ARG A 70 0.904 -0.950 0.905 1.00 0.00 C ATOM 1138 CD ARG A 70 1.114 -1.634 2.244 1.00 0.00 C ATOM 1139 NE ARG A 70 0.933 -0.705 3.357 1.00 0.00 N ATOM 1140 CZ ARG A 70 1.686 -0.690 4.457 1.00 0.00 C ATOM 1141 NH1 ARG A 70 2.701 -1.536 4.578 1.00 0.00 N ATOM 1142 NH2 ARG A 70 1.418 0.171 5.432 1.00 0.00 N ATOM 0 H ARG A 70 2.059 0.239 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 70 0.524 -2.092 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.041 -2.649 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.780 -2.528 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.709 -0.236 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.026 -0.382 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.413 -2.463 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.117 -2.058 2.283 1.00 0.00 H new ATOM 0 HE ARG A 70 0.179 -0.021 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.905 -2.198 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.277 -1.524 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.637 0.820 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.994 0.183 6.274 1.00 0.00 H new ATOM 1156 N MET A 71 -1.693 -0.908 -2.011 1.00 0.00 N ATOM 1157 CA MET A 71 -2.917 -0.127 -2.011 1.00 0.00 C ATOM 1158 C MET A 71 -4.148 -1.026 -1.912 1.00 0.00 C ATOM 1159 O MET A 71 -4.305 -1.991 -2.668 1.00 0.00 O ATOM 1160 CB MET A 71 -2.989 0.768 -3.257 1.00 0.00 C ATOM 1161 CG MET A 71 -2.977 0.009 -4.575 1.00 0.00 C ATOM 1162 SD MET A 71 -2.840 1.099 -6.010 1.00 0.00 S ATOM 1163 CE MET A 71 -4.264 2.164 -5.778 1.00 0.00 C ATOM 0 H MET A 71 -1.801 -1.868 -2.340 1.00 0.00 H new ATOM 0 HA MET A 71 -2.905 0.515 -1.130 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.897 1.369 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.147 1.460 -3.242 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.143 -0.693 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.890 -0.580 -4.658 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.436 2.744 -6.685 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.143 1.555 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.080 2.841 -4.944 1.00 0.00 H new ATOM 1173 N GLU A 72 -5.000 -0.704 -0.949 1.00 0.00 N ATOM 1174 CA GLU A 72 -6.267 -1.396 -0.755 1.00 0.00 C ATOM 1175 C GLU A 72 -7.278 -0.896 -1.779 1.00 0.00 C ATOM 1176 O GLU A 72 -7.543 0.308 -1.847 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.771 -1.128 0.668 1.00 0.00 C ATOM 1178 CG GLU A 72 -8.172 -1.642 0.954 1.00 0.00 C ATOM 1179 CD GLU A 72 -8.276 -3.146 0.872 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -7.942 -3.825 1.866 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -8.704 -3.655 -0.178 1.00 0.00 O ATOM 0 H GLU A 72 -4.832 0.046 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.133 -2.469 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.080 -1.586 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.749 -0.054 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.477 -1.316 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.869 -1.196 0.244 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.840 -1.798 -2.577 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.736 -1.383 -3.649 1.00 0.00 C ATOM 1190 C ILE A 73 -10.048 -2.160 -3.645 1.00 0.00 C ATOM 1191 O ILE A 73 -10.084 -3.359 -3.365 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.071 -1.518 -5.039 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.515 -2.930 -5.239 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.974 -0.477 -5.208 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.977 -3.184 -6.629 1.00 0.00 C ATOM 0 H ILE A 73 -7.694 -2.805 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.956 -0.333 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.830 -1.343 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.719 -3.103 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.302 -3.654 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.517 -0.586 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.402 0.521 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.216 -0.619 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.601 -4.205 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.774 -3.045 -7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.167 -2.485 -6.839 1.00 0.00 H new ATOM 1207 N SER A 74 -11.124 -1.455 -3.944 1.00 0.00 N ATOM 1208 CA SER A 74 -12.427 -2.069 -4.115 1.00 0.00 C ATOM 1209 C SER A 74 -12.861 -1.896 -5.562 1.00 0.00 C ATOM 1210 O SER A 74 -12.895 -0.778 -6.074 1.00 0.00 O ATOM 1211 CB SER A 74 -13.454 -1.434 -3.172 1.00 0.00 C ATOM 1212 OG SER A 74 -14.734 -2.027 -3.324 1.00 0.00 O ATOM 0 H SER A 74 -11.119 -0.443 -4.075 1.00 0.00 H new ATOM 0 HA SER A 74 -12.363 -3.130 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.120 -1.545 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.521 -0.365 -3.372 1.00 0.00 H new ATOM 0 HG SER A 74 -15.367 -1.602 -2.708 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.168 -2.995 -6.226 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.531 -2.952 -7.632 1.00 0.00 C ATOM 1220 C LEU A 75 -14.853 -2.209 -7.823 1.00 0.00 C ATOM 1221 O LEU A 75 -15.922 -2.719 -7.489 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.611 -4.373 -8.191 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.982 -4.476 -9.666 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.078 -3.603 -10.519 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -13.904 -5.919 -10.126 1.00 0.00 C ATOM 0 H LEU A 75 -13.174 -3.929 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.763 -2.408 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.647 -4.859 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.343 -4.933 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.006 -4.120 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.365 -3.696 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.176 -2.563 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.043 -3.922 -10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.171 -5.980 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.889 -6.291 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.596 -6.525 -9.541 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.766 -0.993 -8.352 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.937 -0.142 -8.508 1.00 0.00 C ATOM 1239 C ALA A 76 -16.665 -0.443 -9.810 1.00 0.00 C ATOM 1240 O ALA A 76 -17.890 -0.539 -9.839 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.536 1.325 -8.447 1.00 0.00 C ATOM 0 H ALA A 76 -13.895 -0.576 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.621 -0.353 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.422 1.949 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.070 1.535 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.829 1.543 -9.248 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.908 -0.582 -10.889 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.488 -0.905 -12.183 1.00 0.00 C ATOM 1249 C TRP A 77 -15.508 -1.694 -13.039 1.00 0.00 C ATOM 1250 O TRP A 77 -14.312 -1.417 -13.049 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.945 0.367 -12.917 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.877 1.409 -13.104 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.512 2.380 -12.214 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.055 1.598 -14.264 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.511 3.158 -12.746 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.212 2.697 -14.002 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.948 0.943 -15.496 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.276 3.152 -14.927 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.019 1.398 -16.411 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.194 2.492 -16.123 1.00 0.00 C ATOM 0 H TRP A 77 -14.893 -0.476 -10.894 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.364 -1.529 -12.007 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.332 0.085 -13.896 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.772 0.811 -12.363 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.947 2.516 -11.235 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.064 3.949 -12.282 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.580 0.098 -15.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.638 3.995 -14.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.927 0.901 -17.366 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.477 2.822 -16.861 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.023 -2.694 -13.731 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.225 -3.504 -14.633 1.00 0.00 C ATOM 1273 C ALA A 78 -15.962 -3.690 -15.952 1.00 0.00 C ATOM 1274 O ALA A 78 -17.013 -4.330 -15.995 1.00 0.00 O ATOM 1275 CB ALA A 78 -14.920 -4.851 -13.997 1.00 0.00 C ATOM 0 H ALA A 78 -17.005 -2.967 -13.684 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.282 -2.995 -14.829 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.321 -5.450 -14.683 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.367 -4.699 -13.070 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.853 -5.371 -13.781 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.425 -3.119 -17.019 1.00 0.00 N ATOM 1282 CA ARG A 79 -16.067 -3.199 -18.323 1.00 0.00 C ATOM 1283 C ARG A 79 -15.050 -3.502 -19.416 1.00 0.00 C ATOM 1284 O ARG A 79 -13.986 -2.882 -19.468 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.808 -1.894 -18.638 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.369 -1.852 -20.049 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.211 -0.614 -20.296 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.617 -0.518 -21.696 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.879 -0.431 -22.110 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.875 -0.437 -21.231 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.146 -0.328 -23.406 1.00 0.00 N ATOM 0 H ARG A 79 -14.549 -2.597 -17.009 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.789 -4.015 -18.292 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.623 -1.765 -17.926 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.127 -1.054 -18.499 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.548 -1.879 -20.765 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.974 -2.741 -20.224 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.096 -0.641 -19.660 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.645 0.275 -20.018 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.883 -0.518 -22.405 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.674 -0.508 -20.233 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.840 -0.370 -21.554 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.384 -0.316 -24.084 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.113 -0.261 -23.724 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.400 -4.464 -20.276 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.566 -4.878 -21.409 1.00 0.00 C ATOM 1307 C ASP A 80 -13.284 -5.542 -20.918 1.00 0.00 C ATOM 1308 O ASP A 80 -13.176 -6.766 -20.890 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.236 -3.686 -22.319 1.00 0.00 C ATOM 1310 CG ASP A 80 -13.547 -4.104 -23.603 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -14.249 -4.277 -24.624 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.311 -4.255 -23.602 1.00 0.00 O ATOM 0 H ASP A 80 -16.276 -4.981 -20.205 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.133 -5.603 -21.993 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.156 -3.154 -22.562 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.597 -2.988 -21.779 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.328 -4.723 -20.528 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.098 -5.219 -19.958 1.00 0.00 C ATOM 1319 C GLY A 81 -10.485 -4.209 -19.021 1.00 0.00 C ATOM 1320 O GLY A 81 -9.448 -4.462 -18.410 1.00 0.00 O ATOM 0 H GLY A 81 -12.383 -3.707 -20.597 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.292 -6.147 -19.420 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.393 -5.454 -20.756 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.138 -3.064 -18.900 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.662 -1.998 -18.041 1.00 0.00 C ATOM 1326 C LEU A 82 -11.400 -2.042 -16.715 1.00 0.00 C ATOM 1327 O LEU A 82 -12.633 -2.009 -16.675 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.863 -0.636 -18.711 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.102 -0.434 -20.024 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.437 0.921 -20.628 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.602 -0.559 -19.797 1.00 0.00 C ATOM 0 H LEU A 82 -12.006 -2.851 -19.391 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.596 -2.139 -17.864 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.927 -0.497 -18.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.560 0.143 -18.011 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.410 -1.211 -20.724 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.888 1.049 -21.561 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.507 0.976 -20.826 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.156 1.710 -19.930 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.078 -0.412 -20.741 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.278 0.196 -19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.375 -1.551 -19.406 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.648 -2.148 -15.636 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.237 -2.217 -14.315 1.00 0.00 C ATOM 1345 C LEU A 83 -10.799 -1.029 -13.478 1.00 0.00 C ATOM 1346 O LEU A 83 -9.604 -0.815 -13.258 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.864 -3.524 -13.608 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.307 -4.810 -14.314 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.262 -5.271 -15.320 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.596 -5.900 -13.294 1.00 0.00 C ATOM 0 H LEU A 83 -9.629 -2.188 -15.650 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.320 -2.191 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.781 -3.553 -13.485 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.298 -3.512 -12.608 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.224 -4.599 -14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.603 -6.185 -15.806 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.113 -4.495 -16.071 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.321 -5.463 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.910 -6.807 -13.810 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.695 -6.105 -12.715 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.391 -5.570 -12.625 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.771 -0.255 -13.031 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.494 0.879 -12.186 1.00 0.00 C ATOM 1364 C GLY A 84 -11.695 0.539 -10.729 1.00 0.00 C ATOM 1365 O GLY A 84 -12.825 0.332 -10.277 1.00 0.00 O ATOM 0 H GLY A 84 -12.759 -0.396 -13.243 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.469 1.212 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.146 1.708 -12.461 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.601 0.449 -9.998 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.661 0.130 -8.585 1.00 0.00 C ATOM 1371 C PHE A 85 -10.618 1.397 -7.754 1.00 0.00 C ATOM 1372 O PHE A 85 -9.706 2.211 -7.893 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.500 -0.781 -8.179 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.495 -2.119 -8.860 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -10.071 -3.222 -8.250 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -8.905 -2.278 -10.101 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -10.055 -4.457 -8.866 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -8.889 -3.513 -10.721 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.466 -4.604 -10.102 1.00 0.00 C ATOM 0 H PHE A 85 -9.658 0.593 -10.360 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.600 -0.392 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.561 -0.272 -8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.535 -0.936 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.538 -3.114 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.452 -1.428 -10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.505 -5.309 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.425 -3.625 -11.690 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.455 -5.570 -10.586 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.609 1.559 -6.898 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.650 2.680 -5.981 1.00 0.00 C ATOM 1391 C GLU A 86 -10.794 2.343 -4.769 1.00 0.00 C ATOM 1392 O GLU A 86 -11.029 1.338 -4.094 1.00 0.00 O ATOM 1393 CB GLU A 86 -13.100 2.957 -5.564 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.265 4.204 -4.715 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.707 4.436 -4.311 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -15.468 5.025 -5.111 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.089 4.037 -3.191 1.00 0.00 O ATOM 0 H GLU A 86 -12.402 0.922 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.260 3.577 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.714 3.055 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.479 2.098 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.649 4.116 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.901 5.069 -5.269 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.781 3.153 -4.511 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.833 2.838 -3.461 1.00 0.00 C ATOM 1406 C CYS A 87 -9.422 3.172 -2.097 1.00 0.00 C ATOM 1407 O CYS A 87 -9.873 4.291 -1.853 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.513 3.575 -3.679 1.00 0.00 C ATOM 1409 SG CYS A 87 -6.141 2.886 -2.722 1.00 0.00 S ATOM 0 H CYS A 87 -9.597 4.024 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.627 1.768 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.259 3.545 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.642 4.624 -3.412 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.495 1.741 -2.219 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.422 2.183 -1.216 1.00 0.00 N ATOM 1416 CA GLN A 88 -10.018 2.329 0.102 1.00 0.00 C ATOM 1417 C GLN A 88 -8.991 2.837 1.104 1.00 0.00 C ATOM 1418 O GLN A 88 -9.315 3.601 2.011 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.584 0.989 0.573 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.504 0.324 -0.436 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.114 -0.960 0.089 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -13.190 -0.949 0.683 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -11.431 -2.077 -0.118 1.00 0.00 N ATOM 0 H GLN A 88 -9.013 1.265 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.827 3.057 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.758 0.315 0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.131 1.143 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.301 1.016 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.944 0.110 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.541 -2.046 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.795 -2.968 0.220 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.749 2.414 0.933 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.683 2.782 1.854 1.00 0.00 C ATOM 1434 C HIS A 89 -5.376 2.991 1.107 1.00 0.00 C ATOM 1435 O HIS A 89 -4.789 2.045 0.580 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.515 1.705 2.938 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.311 1.880 3.821 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.192 2.891 4.747 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.174 1.150 3.919 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.037 2.777 5.375 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.399 1.728 4.892 1.00 0.00 N ATOM 0 H HIS A 89 -7.453 1.814 0.163 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.956 3.721 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.408 1.697 3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.455 0.730 2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.924 0.274 3.338 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.675 3.432 6.153 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.481 1.401 5.193 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.938 4.238 1.052 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.653 4.568 0.466 1.00 0.00 C ATOM 1452 C ILE A 90 -2.709 5.017 1.570 1.00 0.00 C ATOM 1453 O ILE A 90 -2.882 6.096 2.136 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.732 5.696 -0.594 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -5.043 5.657 -1.390 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -2.549 5.585 -1.547 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -6.200 6.365 -0.711 1.00 0.00 C ATOM 0 H ILE A 90 -5.457 5.040 1.408 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.296 3.670 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.701 6.648 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.876 6.111 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.319 4.617 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.606 6.379 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.619 5.680 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.574 4.616 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.089 6.292 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.397 5.898 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.947 7.415 -0.561 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.741 4.177 1.900 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.777 4.500 2.948 1.00 0.00 C ATOM 1471 C ASP A 91 0.005 5.753 2.589 1.00 0.00 C ATOM 1472 O ASP A 91 0.328 5.973 1.425 1.00 0.00 O ATOM 1473 CB ASP A 91 0.186 3.335 3.174 1.00 0.00 C ATOM 1474 CG ASP A 91 -0.503 2.116 3.744 1.00 0.00 C ATOM 1475 OD1 ASP A 91 -0.635 2.025 4.980 1.00 0.00 O ATOM 1476 OD2 ASP A 91 -0.915 1.236 2.959 1.00 0.00 O ATOM 0 H ASP A 91 -1.599 3.268 1.460 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.331 4.682 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.660 3.071 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.979 3.650 3.852 1.00 0.00 H new ATOM 1481 N LEU A 92 0.311 6.565 3.592 1.00 0.00 N ATOM 1482 CA LEU A 92 1.027 7.820 3.378 1.00 0.00 C ATOM 1483 C LEU A 92 2.390 7.553 2.751 1.00 0.00 C ATOM 1484 O LEU A 92 2.831 8.276 1.859 1.00 0.00 O ATOM 1485 CB LEU A 92 1.200 8.588 4.696 1.00 0.00 C ATOM 1486 CG LEU A 92 -0.071 9.223 5.277 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -1.032 8.166 5.803 1.00 0.00 C ATOM 1488 CD2 LEU A 92 0.290 10.204 6.381 1.00 0.00 C ATOM 0 H LEU A 92 0.074 6.378 4.566 1.00 0.00 H new ATOM 0 HA LEU A 92 0.435 8.432 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.614 7.906 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.937 9.376 4.540 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.575 9.760 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.921 8.651 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.320 7.499 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.544 7.590 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.620 10.648 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.821 9.679 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.928 10.989 5.976 1.00 0.00 H new ATOM 1500 N ASP A 93 3.038 6.498 3.218 1.00 0.00 N ATOM 1501 CA ASP A 93 4.326 6.081 2.678 1.00 0.00 C ATOM 1502 C ASP A 93 4.173 5.653 1.219 1.00 0.00 C ATOM 1503 O ASP A 93 4.998 5.991 0.370 1.00 0.00 O ATOM 1504 CB ASP A 93 4.897 4.943 3.525 1.00 0.00 C ATOM 1505 CG ASP A 93 6.242 4.455 3.031 1.00 0.00 C ATOM 1506 OD1 ASP A 93 6.309 3.326 2.515 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.238 5.199 3.157 1.00 0.00 O ATOM 0 H ASP A 93 2.691 5.910 3.976 1.00 0.00 H new ATOM 0 HA ASP A 93 5.020 6.921 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.996 5.280 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.193 4.111 3.527 1.00 0.00 H new ATOM 1512 N SER A 94 3.089 4.933 0.938 1.00 0.00 N ATOM 1513 CA SER A 94 2.747 4.528 -0.416 1.00 0.00 C ATOM 1514 C SER A 94 2.598 5.754 -1.318 1.00 0.00 C ATOM 1515 O SER A 94 3.187 5.817 -2.399 1.00 0.00 O ATOM 1516 CB SER A 94 1.449 3.712 -0.386 1.00 0.00 C ATOM 1517 OG SER A 94 1.066 3.288 -1.676 1.00 0.00 O ATOM 0 H SER A 94 2.426 4.616 1.645 1.00 0.00 H new ATOM 0 HA SER A 94 3.547 3.909 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.581 2.843 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.652 4.314 0.050 1.00 0.00 H new ATOM 0 HG SER A 94 0.558 2.453 -1.608 1.00 0.00 H new ATOM 1523 N ILE A 95 1.831 6.737 -0.848 1.00 0.00 N ATOM 1524 CA ILE A 95 1.627 7.983 -1.583 1.00 0.00 C ATOM 1525 C ILE A 95 2.959 8.684 -1.832 1.00 0.00 C ATOM 1526 O ILE A 95 3.238 9.150 -2.940 1.00 0.00 O ATOM 1527 CB ILE A 95 0.702 8.950 -0.808 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.613 8.259 -0.439 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.428 10.202 -1.630 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.496 9.080 0.479 1.00 0.00 C ATOM 0 H ILE A 95 1.338 6.693 0.044 1.00 0.00 H new ATOM 0 HA ILE A 95 1.159 7.721 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 95 1.209 9.243 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.164 8.034 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.390 7.307 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.225 10.870 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.369 10.709 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.056 9.924 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.409 8.526 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.965 9.283 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.750 10.022 -0.007 1.00 0.00 H new ATOM 1542 N SER A 96 3.778 8.738 -0.791 1.00 0.00 N ATOM 1543 CA SER A 96 5.060 9.419 -0.851 1.00 0.00 C ATOM 1544 C SER A 96 5.957 8.797 -1.922 1.00 0.00 C ATOM 1545 O SER A 96 6.486 9.505 -2.781 1.00 0.00 O ATOM 1546 CB SER A 96 5.740 9.366 0.519 1.00 0.00 C ATOM 1547 OG SER A 96 6.733 10.369 0.642 1.00 0.00 O ATOM 0 H SER A 96 3.573 8.313 0.113 1.00 0.00 H new ATOM 0 HA SER A 96 4.890 10.461 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.993 9.493 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.192 8.385 0.665 1.00 0.00 H new ATOM 0 HG SER A 96 7.148 10.311 1.528 1.00 0.00 H new ATOM 1553 N HIS A 97 6.100 7.472 -1.891 1.00 0.00 N ATOM 1554 CA HIS A 97 6.951 6.779 -2.858 1.00 0.00 C ATOM 1555 C HIS A 97 6.400 6.926 -4.271 1.00 0.00 C ATOM 1556 O HIS A 97 7.162 7.021 -5.233 1.00 0.00 O ATOM 1557 CB HIS A 97 7.090 5.289 -2.535 1.00 0.00 C ATOM 1558 CG HIS A 97 7.771 4.979 -1.240 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.012 5.460 -0.892 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.357 4.228 -0.200 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.329 5.020 0.312 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.342 4.265 0.752 1.00 0.00 N ATOM 0 H HIS A 97 5.642 6.862 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 97 7.935 7.244 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.096 4.843 -2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.643 4.809 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.420 3.695 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.242 5.241 0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.316 3.787 1.653 1.00 0.00 H new ATOM 1571 N LEU A 98 5.076 6.940 -4.395 1.00 0.00 N ATOM 1572 CA LEU A 98 4.441 7.118 -5.694 1.00 0.00 C ATOM 1573 C LEU A 98 4.824 8.469 -6.285 1.00 0.00 C ATOM 1574 O LEU A 98 5.247 8.554 -7.440 1.00 0.00 O ATOM 1575 CB LEU A 98 2.918 7.009 -5.586 1.00 0.00 C ATOM 1576 CG LEU A 98 2.170 7.152 -6.915 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.506 6.000 -7.850 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.669 7.230 -6.684 1.00 0.00 C ATOM 0 H LEU A 98 4.427 6.831 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 98 4.793 6.324 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.667 6.044 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.560 7.776 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 98 2.493 8.081 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.964 6.122 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.578 5.994 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.218 5.058 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.158 7.331 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.330 6.322 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.442 8.093 -6.058 1.00 0.00 H new ATOM 1590 N ARG A 99 4.701 9.522 -5.480 1.00 0.00 N ATOM 1591 CA ARG A 99 5.046 10.860 -5.936 1.00 0.00 C ATOM 1592 C ARG A 99 6.534 10.953 -6.258 1.00 0.00 C ATOM 1593 O ARG A 99 6.931 11.729 -7.119 1.00 0.00 O ATOM 1594 CB ARG A 99 4.657 11.928 -4.906 1.00 0.00 C ATOM 1595 CG ARG A 99 5.009 13.339 -5.359 1.00 0.00 C ATOM 1596 CD ARG A 99 4.445 14.410 -4.440 1.00 0.00 C ATOM 1597 NE ARG A 99 4.889 15.744 -4.850 1.00 0.00 N ATOM 1598 CZ ARG A 99 4.098 16.668 -5.403 1.00 0.00 C ATOM 1599 NH1 ARG A 99 2.797 16.453 -5.541 1.00 0.00 N ATOM 1600 NH2 ARG A 99 4.607 17.824 -5.798 1.00 0.00 N ATOM 0 H ARG A 99 4.368 9.473 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 99 4.476 11.051 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.585 11.869 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.161 11.718 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.093 13.441 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.630 13.497 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.356 14.366 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.761 14.217 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 99 5.869 15.984 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.389 15.574 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.204 17.167 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.603 18.009 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.003 18.529 -6.220 1.00 0.00 H new ATOM 1614 N ARG A 100 7.351 10.156 -5.575 1.00 0.00 N ATOM 1615 CA ARG A 100 8.782 10.104 -5.868 1.00 0.00 C ATOM 1616 C ARG A 100 9.012 9.711 -7.324 1.00 0.00 C ATOM 1617 O ARG A 100 9.721 10.400 -8.055 1.00 0.00 O ATOM 1618 CB ARG A 100 9.501 9.112 -4.949 1.00 0.00 C ATOM 1619 CG ARG A 100 9.516 9.524 -3.489 1.00 0.00 C ATOM 1620 CD ARG A 100 10.281 10.818 -3.277 1.00 0.00 C ATOM 1621 NE ARG A 100 10.275 11.224 -1.875 1.00 0.00 N ATOM 1622 CZ ARG A 100 11.000 12.226 -1.379 1.00 0.00 C ATOM 1623 NH1 ARG A 100 11.832 12.900 -2.166 1.00 0.00 N ATOM 1624 NH2 ARG A 100 10.899 12.545 -0.091 1.00 0.00 N ATOM 0 H ARG A 100 7.050 9.541 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 100 9.192 11.098 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.020 8.138 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.528 8.993 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.492 9.645 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.969 8.732 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.310 10.693 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.839 11.606 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 100 9.676 10.706 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.916 12.651 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.386 13.667 -1.785 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.267 12.023 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.454 13.312 0.289 1.00 0.00 H new ATOM 1638 N LEU A 101 8.390 8.615 -7.747 1.00 0.00 N ATOM 1639 CA LEU A 101 8.541 8.139 -9.116 1.00 0.00 C ATOM 1640 C LEU A 101 7.958 9.142 -10.102 1.00 0.00 C ATOM 1641 O LEU A 101 8.559 9.422 -11.133 1.00 0.00 O ATOM 1642 CB LEU A 101 7.874 6.774 -9.310 1.00 0.00 C ATOM 1643 CG LEU A 101 8.085 6.153 -10.693 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.565 5.912 -10.950 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.307 4.857 -10.824 1.00 0.00 C ATOM 0 H LEU A 101 7.779 8.043 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 101 9.609 8.030 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.256 6.087 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.804 6.879 -9.133 1.00 0.00 H new ATOM 0 HG LEU A 101 7.713 6.853 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.696 5.470 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.102 6.860 -10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.960 5.233 -10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.471 4.433 -11.814 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.646 4.151 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.244 5.055 -10.686 1.00 0.00 H new ATOM 1657 N VAL A 102 6.797 9.694 -9.776 1.00 0.00 N ATOM 1658 CA VAL A 102 6.158 10.691 -10.631 1.00 0.00 C ATOM 1659 C VAL A 102 7.058 11.916 -10.796 1.00 0.00 C ATOM 1660 O VAL A 102 7.125 12.514 -11.869 1.00 0.00 O ATOM 1661 CB VAL A 102 4.789 11.124 -10.063 1.00 0.00 C ATOM 1662 CG1 VAL A 102 4.145 12.195 -10.935 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.866 9.923 -9.933 1.00 0.00 C ATOM 0 H VAL A 102 6.277 9.470 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 102 5.997 10.231 -11.606 1.00 0.00 H new ATOM 0 HB VAL A 102 4.955 11.550 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.183 12.480 -10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.795 13.069 -10.978 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.996 11.804 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.905 10.244 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.717 9.471 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.314 9.191 -9.261 1.00 0.00 H new ATOM 1673 N GLU A 103 7.760 12.264 -9.730 1.00 0.00 N ATOM 1674 CA GLU A 103 8.680 13.390 -9.735 1.00 0.00 C ATOM 1675 C GLU A 103 9.910 13.085 -10.585 1.00 0.00 C ATOM 1676 O GLU A 103 10.296 13.879 -11.445 1.00 0.00 O ATOM 1677 CB GLU A 103 9.102 13.707 -8.300 1.00 0.00 C ATOM 1678 CG GLU A 103 10.092 14.850 -8.181 1.00 0.00 C ATOM 1679 CD GLU A 103 10.589 15.024 -6.763 1.00 0.00 C ATOM 1680 OE1 GLU A 103 11.598 14.386 -6.402 1.00 0.00 O ATOM 1681 OE2 GLU A 103 9.977 15.805 -6.007 1.00 0.00 O ATOM 0 H GLU A 103 7.708 11.774 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 103 8.174 14.253 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.213 13.949 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.541 12.813 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.939 14.666 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.621 15.774 -8.516 1.00 0.00 H new ATOM 1688 N LEU A 104 10.514 11.928 -10.341 1.00 0.00 N ATOM 1689 CA LEU A 104 11.723 11.519 -11.053 1.00 0.00 C ATOM 1690 C LEU A 104 11.429 11.255 -12.528 1.00 0.00 C ATOM 1691 O LEU A 104 12.262 11.508 -13.395 1.00 0.00 O ATOM 1692 CB LEU A 104 12.316 10.256 -10.417 1.00 0.00 C ATOM 1693 CG LEU A 104 12.620 10.348 -8.918 1.00 0.00 C ATOM 1694 CD1 LEU A 104 13.168 9.028 -8.404 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.598 11.475 -8.633 1.00 0.00 C ATOM 0 H LEU A 104 10.185 11.252 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 104 12.443 12.334 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.623 9.430 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.238 10.006 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 104 11.688 10.564 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.378 9.112 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.433 8.240 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.087 8.783 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.799 11.521 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.529 11.293 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.169 12.421 -8.962 1.00 0.00 H new ATOM 1707 N ASN A 105 10.236 10.745 -12.799 1.00 0.00 N ATOM 1708 CA ASN A 105 9.846 10.366 -14.154 1.00 0.00 C ATOM 1709 C ASN A 105 9.180 11.539 -14.871 1.00 0.00 C ATOM 1710 O ASN A 105 8.911 11.472 -16.071 1.00 0.00 O ATOM 1711 CB ASN A 105 8.886 9.173 -14.095 1.00 0.00 C ATOM 1712 CG ASN A 105 8.960 8.268 -15.310 1.00 0.00 C ATOM 1713 OD1 ASN A 105 9.237 8.708 -16.424 1.00 0.00 O ATOM 1714 ND2 ASN A 105 8.721 6.984 -15.091 1.00 0.00 N ATOM 0 H ASN A 105 9.516 10.583 -12.095 1.00 0.00 H new ATOM 0 HA ASN A 105 10.739 10.086 -14.712 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.104 8.586 -13.203 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.866 9.544 -13.991 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.763 6.318 -15.863 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.495 6.661 -14.151 1.00 0.00 H new ATOM 1721 N LEU A 106 8.920 12.615 -14.120 1.00 0.00 N ATOM 1722 CA LEU A 106 8.269 13.816 -14.656 1.00 0.00 C ATOM 1723 C LEU A 106 6.873 13.486 -15.189 1.00 0.00 C ATOM 1724 O LEU A 106 6.429 14.040 -16.195 1.00 0.00 O ATOM 1725 CB LEU A 106 9.126 14.438 -15.764 1.00 0.00 C ATOM 1726 CG LEU A 106 10.532 14.868 -15.340 1.00 0.00 C ATOM 1727 CD1 LEU A 106 11.323 15.357 -16.542 1.00 0.00 C ATOM 1728 CD2 LEU A 106 10.461 15.949 -14.270 1.00 0.00 C ATOM 0 H LEU A 106 9.153 12.678 -13.129 1.00 0.00 H new ATOM 0 HA LEU A 106 8.165 14.537 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.214 13.720 -16.579 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.602 15.308 -16.161 1.00 0.00 H new ATOM 0 HG LEU A 106 11.045 14.003 -14.919 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.321 15.659 -16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.404 14.555 -17.275 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.813 16.209 -16.991 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.470 16.242 -13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.930 16.816 -14.663 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.932 15.564 -13.398 1.00 0.00 H new ATOM 1740 N GLY A 107 6.169 12.624 -14.464 1.00 0.00 N ATOM 1741 CA GLY A 107 4.903 12.098 -14.937 1.00 0.00 C ATOM 1742 C GLY A 107 3.707 12.987 -14.638 1.00 0.00 C ATOM 1743 O GLY A 107 2.572 12.574 -14.860 1.00 0.00 O ATOM 0 H GLY A 107 6.456 12.278 -13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.966 11.944 -16.014 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.737 11.120 -14.484 1.00 0.00 H new ATOM 1747 N ASP A 108 3.970 14.195 -14.133 1.00 0.00 N ATOM 1748 CA ASP A 108 2.920 15.189 -13.850 1.00 0.00 C ATOM 1749 C ASP A 108 2.050 14.776 -12.659 1.00 0.00 C ATOM 1750 O ASP A 108 1.388 13.738 -12.676 1.00 0.00 O ATOM 1751 CB ASP A 108 2.044 15.430 -15.088 1.00 0.00 C ATOM 1752 CG ASP A 108 0.953 16.453 -14.844 1.00 0.00 C ATOM 1753 OD1 ASP A 108 1.227 17.664 -14.989 1.00 0.00 O ATOM 1754 OD2 ASP A 108 -0.182 16.055 -14.517 1.00 0.00 O ATOM 0 H ASP A 108 4.912 14.515 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 108 3.423 16.120 -13.589 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.673 15.765 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.590 14.488 -15.396 1.00 0.00 H new ATOM 1759 N GLU A 109 2.051 15.602 -11.620 1.00 0.00 N ATOM 1760 CA GLU A 109 1.298 15.300 -10.407 1.00 0.00 C ATOM 1761 C GLU A 109 -0.192 15.597 -10.581 1.00 0.00 C ATOM 1762 O GLU A 109 -1.027 15.054 -9.856 1.00 0.00 O ATOM 1763 CB GLU A 109 1.854 16.089 -9.216 1.00 0.00 C ATOM 1764 CG GLU A 109 1.709 17.597 -9.353 1.00 0.00 C ATOM 1765 CD GLU A 109 2.183 18.338 -8.123 1.00 0.00 C ATOM 1766 OE1 GLU A 109 1.446 18.363 -7.114 1.00 0.00 O ATOM 1767 OE2 GLU A 109 3.297 18.900 -8.154 1.00 0.00 O ATOM 0 H GLU A 109 2.563 16.484 -11.592 1.00 0.00 H new ATOM 0 HA GLU A 109 1.409 14.234 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.344 15.766 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.909 15.845 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.277 17.936 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.664 17.843 -9.541 1.00 0.00 H new ATOM 1774 N GLU A 110 -0.525 16.445 -11.549 1.00 0.00 N ATOM 1775 CA GLU A 110 -1.912 16.839 -11.772 1.00 0.00 C ATOM 1776 C GLU A 110 -2.751 15.649 -12.232 1.00 0.00 C ATOM 1777 O GLU A 110 -3.907 15.497 -11.830 1.00 0.00 O ATOM 1778 CB GLU A 110 -1.995 17.973 -12.798 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.418 18.409 -13.104 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.484 19.500 -14.149 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -3.065 19.256 -15.300 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.976 20.603 -13.833 1.00 0.00 O ATOM 0 H GLU A 110 0.144 16.872 -12.190 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.314 17.197 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.432 18.830 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.515 17.652 -13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.991 17.548 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.890 18.761 -12.187 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.163 14.803 -13.068 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.834 13.596 -13.540 1.00 0.00 C ATOM 1791 C LEU A 111 -3.272 12.712 -12.370 1.00 0.00 C ATOM 1792 O LEU A 111 -4.299 12.030 -12.445 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.911 12.807 -14.473 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.607 13.474 -15.818 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.551 12.686 -16.577 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.871 13.596 -16.654 1.00 0.00 C ATOM 0 H LEU A 111 -1.220 14.930 -13.435 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.725 13.901 -14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.969 12.626 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.362 11.833 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.223 14.475 -15.622 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.348 13.174 -17.530 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.365 12.644 -15.988 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.913 11.674 -16.758 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.634 14.072 -17.605 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.283 12.604 -16.838 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.604 14.200 -16.119 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.513 12.758 -11.283 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.786 11.934 -10.108 1.00 0.00 C ATOM 1810 C LEU A 112 -3.979 12.465 -9.320 1.00 0.00 C ATOM 1811 O LEU A 112 -4.552 11.758 -8.486 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.564 11.902 -9.189 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.274 11.385 -9.822 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.883 11.552 -8.851 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.420 9.926 -10.230 1.00 0.00 C ATOM 0 H LEU A 112 -1.696 13.362 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.016 10.929 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.386 12.911 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.798 11.280 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.069 11.968 -10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.799 11.181 -9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.002 12.607 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.679 10.988 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.511 9.579 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.646 9.323 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.230 9.830 -10.954 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.364 13.706 -9.587 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.387 14.367 -8.793 1.00 0.00 C ATOM 1829 C GLU A 113 -6.642 14.632 -9.618 1.00 0.00 C ATOM 1830 O GLU A 113 -7.414 15.539 -9.313 1.00 0.00 O ATOM 1831 CB GLU A 113 -4.844 15.674 -8.205 1.00 0.00 C ATOM 1832 CG GLU A 113 -3.601 15.480 -7.350 1.00 0.00 C ATOM 1833 CD GLU A 113 -3.219 16.724 -6.574 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -2.764 17.709 -7.196 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -3.359 16.721 -5.333 1.00 0.00 O ATOM 0 H GLU A 113 -3.984 14.272 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.661 13.701 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.613 16.362 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.621 16.143 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.771 14.660 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.768 15.187 -7.990 1.00 0.00 H new ATOM 1842 N ARG A 114 -6.858 13.820 -10.649 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.083 13.910 -11.433 1.00 0.00 C ATOM 1844 C ARG A 114 -9.237 13.245 -10.681 1.00 0.00 C ATOM 1845 O ARG A 114 -9.807 13.840 -9.770 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.896 13.278 -12.816 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.052 14.121 -13.761 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.688 13.356 -15.025 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.796 12.233 -14.739 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.514 11.252 -15.595 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -6.046 11.238 -16.813 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.692 10.282 -15.223 1.00 0.00 N ATOM 0 H ARG A 114 -6.206 13.099 -10.958 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.324 14.963 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.429 12.300 -12.699 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.875 13.112 -13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.598 15.026 -14.028 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.141 14.437 -13.252 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.596 12.987 -15.502 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.208 14.031 -15.733 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.358 12.198 -13.818 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.678 11.984 -17.102 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.822 10.481 -17.459 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -4.282 10.291 -14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.469 9.526 -15.870 1.00 0.00 H new ATOM 1866 N GLU A 115 -9.555 12.004 -11.040 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.583 11.222 -10.351 1.00 0.00 C ATOM 1868 C GLU A 115 -10.651 9.851 -11.014 1.00 0.00 C ATOM 1869 O GLU A 115 -10.166 9.701 -12.124 1.00 0.00 O ATOM 1870 CB GLU A 115 -11.947 11.922 -10.451 1.00 0.00 C ATOM 1871 CG GLU A 115 -12.770 11.880 -9.171 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.064 10.472 -8.714 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.101 9.912 -9.119 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -12.243 9.911 -7.963 1.00 0.00 O ATOM 0 H GLU A 115 -9.110 11.511 -11.814 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.333 11.124 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.788 12.963 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.521 11.459 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.235 12.409 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.709 12.410 -9.330 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.240 8.865 -10.352 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.386 7.539 -10.946 1.00 0.00 C ATOM 1883 C LEU A 116 -12.263 7.623 -12.193 1.00 0.00 C ATOM 1884 O LEU A 116 -11.959 7.029 -13.223 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.984 6.554 -9.933 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.128 5.112 -10.434 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.775 4.546 -10.844 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.764 4.239 -9.363 1.00 0.00 C ATOM 0 H LEU A 116 -11.623 8.954 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.400 7.173 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.359 6.551 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.967 6.918 -9.633 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.777 5.118 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.901 3.522 -11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.353 5.155 -11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.102 4.555 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.859 3.219 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.138 4.243 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.751 4.628 -9.115 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.338 8.394 -12.091 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.225 8.642 -13.223 1.00 0.00 C ATOM 1902 C ALA A 117 -13.603 9.627 -14.217 1.00 0.00 C ATOM 1903 O ALA A 117 -14.159 9.871 -15.286 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.567 9.164 -12.729 1.00 0.00 C ATOM 0 H ALA A 117 -13.619 8.862 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.378 7.697 -13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.222 9.346 -13.581 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.025 8.426 -12.071 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.416 10.094 -12.182 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.457 10.196 -13.858 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.745 11.112 -14.747 1.00 0.00 C ATOM 1912 C LEU A 118 -10.480 10.457 -15.283 1.00 0.00 C ATOM 1913 O LEU A 118 -9.683 11.091 -15.975 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.369 12.410 -14.025 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.536 13.278 -13.556 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.010 14.535 -12.880 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.440 13.641 -14.723 1.00 0.00 C ATOM 0 H LEU A 118 -12.000 10.040 -12.959 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.415 11.350 -15.573 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.759 12.157 -13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.744 13.005 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.124 12.710 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.848 15.148 -12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.401 14.258 -12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.403 15.101 -13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.264 14.259 -14.366 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.868 14.194 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.837 12.731 -15.172 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.290 9.193 -14.942 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.101 8.471 -15.354 1.00 0.00 C ATOM 1931 C LEU A 119 -9.389 7.585 -16.554 1.00 0.00 C ATOM 1932 O LEU A 119 -10.013 6.530 -16.434 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.550 7.638 -14.195 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.244 8.155 -13.581 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.369 9.613 -13.173 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.856 7.314 -12.380 1.00 0.00 C ATOM 0 H LEU A 119 -10.944 8.647 -14.381 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.348 9.202 -15.646 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.307 7.590 -13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.389 6.619 -14.546 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.465 8.077 -14.339 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.427 9.952 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.604 10.217 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.165 9.718 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.927 7.693 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.645 7.365 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.717 6.279 -12.691 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.962 8.043 -17.716 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.062 7.258 -18.932 1.00 0.00 C ATOM 1950 C VAL A 120 -7.721 6.580 -19.195 1.00 0.00 C ATOM 1951 O VAL A 120 -6.682 7.065 -18.746 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.459 8.134 -20.145 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.768 7.277 -21.367 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.646 9.021 -19.799 1.00 0.00 C ATOM 0 H VAL A 120 -8.539 8.962 -17.843 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.843 6.510 -18.799 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.610 8.772 -20.390 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.044 7.921 -22.202 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.887 6.693 -21.634 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.595 6.604 -21.140 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.910 9.629 -20.664 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.496 8.399 -19.520 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.383 9.672 -18.965 1.00 0.00 H new ATOM 1964 N SER A 121 -7.748 5.467 -19.917 1.00 0.00 N ATOM 1965 CA SER A 121 -6.544 4.703 -20.211 1.00 0.00 C ATOM 1966 C SER A 121 -5.535 5.527 -21.019 1.00 0.00 C ATOM 1967 O SER A 121 -5.844 6.632 -21.465 1.00 0.00 O ATOM 1968 CB SER A 121 -6.933 3.432 -20.963 1.00 0.00 C ATOM 1969 OG SER A 121 -7.900 3.705 -21.965 1.00 0.00 O ATOM 0 H SER A 121 -8.600 5.071 -20.313 1.00 0.00 H new ATOM 0 HA SER A 121 -6.058 4.439 -19.272 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.047 2.991 -21.419 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.329 2.698 -20.261 1.00 0.00 H new ATOM 0 HG SER A 121 -7.550 4.382 -22.581 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.330 4.976 -21.197 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.257 5.651 -21.928 1.00 0.00 C ATOM 1977 C ALA A 122 -3.761 6.253 -23.239 1.00 0.00 C ATOM 1978 O ALA A 122 -3.397 7.373 -23.598 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.111 4.686 -22.191 1.00 0.00 C ATOM 0 H ALA A 122 -4.074 4.055 -20.840 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.895 6.471 -21.307 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.319 5.201 -22.735 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.719 4.319 -21.242 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.472 3.846 -22.784 1.00 0.00 H new ATOM 1985 N HIS A 123 -4.604 5.509 -23.947 1.00 0.00 N ATOM 1986 CA HIS A 123 -5.277 6.050 -25.118 1.00 0.00 C ATOM 1987 C HIS A 123 -6.752 6.246 -24.803 1.00 0.00 C ATOM 1988 O HIS A 123 -7.297 5.575 -23.921 1.00 0.00 O ATOM 1989 CB HIS A 123 -5.101 5.140 -26.349 1.00 0.00 C ATOM 1990 CG HIS A 123 -5.942 3.891 -26.358 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -5.431 2.638 -26.109 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -7.258 3.707 -26.631 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -6.390 1.739 -26.231 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -7.510 2.362 -26.546 1.00 0.00 N ATOM 0 H HIS A 123 -4.835 4.539 -23.732 1.00 0.00 H new ATOM 0 HA HIS A 123 -4.824 7.011 -25.364 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.332 5.719 -27.243 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -4.052 4.851 -26.419 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.975 4.478 -26.871 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.277 0.673 -26.096 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -8.414 1.916 -26.701 1.00 0.00 H new ATOM 2003 N ASP A 124 -7.391 7.158 -25.511 1.00 0.00 N ATOM 2004 CA ASP A 124 -8.813 7.407 -25.327 1.00 0.00 C ATOM 2005 C ASP A 124 -9.516 7.464 -26.670 1.00 0.00 C ATOM 2006 O ASP A 124 -8.963 7.961 -27.652 1.00 0.00 O ATOM 2007 CB ASP A 124 -9.053 8.705 -24.548 1.00 0.00 C ATOM 2008 CG ASP A 124 -8.499 9.933 -25.246 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -7.288 10.202 -25.102 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -9.273 10.651 -25.910 1.00 0.00 O ATOM 0 H ASP A 124 -6.949 7.741 -26.221 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.226 6.583 -24.745 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.124 8.835 -24.393 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.597 8.619 -23.562 1.00 0.00 H new ATOM 2015 N ASP A 125 -10.722 6.932 -26.716 1.00 0.00 N ATOM 2016 CA ASP A 125 -11.505 6.930 -27.939 1.00 0.00 C ATOM 2017 C ASP A 125 -12.414 8.147 -27.972 1.00 0.00 C ATOM 2018 O ASP A 125 -13.526 8.081 -27.415 1.00 0.00 O ATOM 2019 CB ASP A 125 -12.331 5.646 -28.055 1.00 0.00 C ATOM 2020 CG ASP A 125 -11.469 4.399 -28.092 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -10.956 4.054 -29.177 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -11.300 3.751 -27.034 1.00 0.00 O ATOM 0 H ASP A 125 -11.183 6.494 -25.919 1.00 0.00 H new ATOM 0 HA ASP A 125 -10.823 6.971 -28.788 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.018 5.583 -27.211 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.939 5.690 -28.959 1.00 0.00 H new TER 2027 ASP A 125