USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=17 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 34 HIS : no HD1:sc= -0.466 K(o=-1.9,f=-4.5!) USER MOD Set 1.2: A 121 SER OG : rot -30:sc= -1.41 USER MOD Set 2.1: A 71 MET CE :methyl -140:sc= -0.153 (180deg=-1.14) USER MOD Set 2.2: A 87 CYS SG : rot 155:sc= -5.34! USER MOD Set 3.1: A 37 SER OG : rot 130:sc= 0.256 USER MOD Set 3.2: A 39 HIS : no HE2:sc= -2.76! C(o=-2.5!,f=-2.9!) 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 :FLIP amide:sc= -0.123 F(o=-1.7!,f=-0.12) USER MOD Single : A 5 HIS : no HE2:sc= 0.614 K(o=0.61,f=-5.5!) USER MOD Single : A 12 HIS : no HD1:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 20 SER OG : rot 60:sc= 1.27 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0351 F(o=-1.4!,f=-0.035) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.23) USER MOD Single : A 54 GLN : amide:sc= -0.0749 K(o=-0.075,f=-0.65) USER MOD Single : A 62 TYR OH : rot 16:sc= 1.85 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -1.61 F(o=-2.8!,f=-1.6) USER MOD Single : A 89 HIS : no HD1:sc= 0.461 K(o=0.46,f=-2.9!) USER MOD Single : A 94 SER OG : rot 121:sc= -0.405 USER MOD Single : A 96 SER OG : rot 82:sc= 1.29 USER MOD Single : A 97 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.717 29.295 -23.603 1.00 0.00 N ATOM 2 CA MET A 1 17.307 29.491 -24.006 1.00 0.00 C ATOM 3 C MET A 1 17.026 28.799 -25.334 1.00 0.00 C ATOM 4 O MET A 1 17.385 29.303 -26.400 1.00 0.00 O ATOM 5 CB MET A 1 16.992 30.986 -24.117 1.00 0.00 C ATOM 6 CG MET A 1 15.569 31.281 -24.562 1.00 0.00 C ATOM 7 SD MET A 1 15.225 33.047 -24.662 1.00 0.00 S ATOM 8 CE MET A 1 13.515 33.024 -25.203 1.00 0.00 C ATOM 0 H1 MET A 1 18.889 29.774 -22.696 1.00 0.00 H new ATOM 0 H2 MET A 1 18.910 28.278 -23.500 1.00 0.00 H new ATOM 0 H3 MET A 1 19.345 29.695 -24.330 1.00 0.00 H new ATOM 0 HA MET A 1 16.667 29.049 -23.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.165 31.457 -23.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.686 31.443 -24.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.395 30.825 -25.537 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.871 30.818 -23.865 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.154 34.047 -25.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.443 32.510 -26.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.907 32.501 -24.465 1.00 0.00 H new ATOM 18 N SER A 2 16.393 27.636 -25.265 1.00 0.00 N ATOM 19 CA SER A 2 16.056 26.876 -26.460 1.00 0.00 C ATOM 20 C SER A 2 14.974 25.850 -26.155 1.00 0.00 C ATOM 21 O SER A 2 15.013 25.197 -25.108 1.00 0.00 O ATOM 22 CB SER A 2 17.305 26.178 -27.003 1.00 0.00 C ATOM 23 OG SER A 2 17.987 25.476 -25.972 1.00 0.00 O ATOM 0 H SER A 2 16.102 27.198 -24.391 1.00 0.00 H new ATOM 0 HA SER A 2 15.675 27.564 -27.214 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.023 25.484 -27.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.973 26.915 -27.449 1.00 0.00 H new ATOM 0 HG SER A 2 18.780 25.037 -26.344 1.00 0.00 H new ATOM 29 N ASP A 3 14.005 25.717 -27.050 1.00 0.00 N ATOM 30 CA ASP A 3 12.975 24.704 -26.889 1.00 0.00 C ATOM 31 C ASP A 3 13.528 23.353 -27.318 1.00 0.00 C ATOM 32 O ASP A 3 13.982 23.181 -28.450 1.00 0.00 O ATOM 33 CB ASP A 3 11.704 25.058 -27.681 1.00 0.00 C ATOM 34 CG ASP A 3 11.914 25.119 -29.185 1.00 0.00 C ATOM 35 OD1 ASP A 3 11.644 24.106 -29.871 1.00 0.00 O ATOM 36 OD2 ASP A 3 12.325 26.184 -29.690 1.00 0.00 O ATOM 0 H ASP A 3 13.912 26.292 -27.887 1.00 0.00 H new ATOM 0 HA ASP A 3 12.690 24.659 -25.838 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.933 24.320 -27.461 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.330 26.022 -27.337 1.00 0.00 H new ATOM 41 N GLN A 4 13.520 22.395 -26.406 1.00 0.00 N ATOM 42 CA GLN A 4 14.093 21.095 -26.692 1.00 0.00 C ATOM 43 C GLN A 4 13.052 20.185 -27.312 1.00 0.00 C ATOM 44 O GLN A 4 12.307 19.500 -26.615 1.00 0.00 O ATOM 45 CB GLN A 4 14.681 20.451 -25.435 1.00 0.00 C ATOM 46 CG GLN A 4 15.858 21.214 -24.848 1.00 0.00 C ATOM 47 CD GLN A 4 16.674 20.374 -23.883 1.00 0.00 C ATOM 48 OE1 GLN A 4 16.754 19.078 -24.146 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 17.244 20.887 -22.920 1.00 0.00 N flip ATOM 0 H GLN A 4 13.126 22.493 -25.470 1.00 0.00 H new ATOM 0 HA GLN A 4 14.907 21.240 -27.403 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.899 20.370 -24.680 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.000 19.436 -25.673 1.00 0.00 H new ATOM 0 HG2 GLN A 4 16.502 21.560 -25.657 1.00 0.00 H new ATOM 0 HG3 GLN A 4 15.490 22.101 -24.331 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.158 21.889 -22.751 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.802 20.310 -22.291 1.00 0.00 H new ATOM 58 N HIS A 5 12.983 20.214 -28.630 1.00 0.00 N ATOM 59 CA HIS A 5 12.080 19.348 -29.371 1.00 0.00 C ATOM 60 C HIS A 5 12.797 18.060 -29.767 1.00 0.00 C ATOM 61 O HIS A 5 13.196 17.877 -30.914 1.00 0.00 O ATOM 62 CB HIS A 5 11.513 20.080 -30.601 1.00 0.00 C ATOM 63 CG HIS A 5 12.543 20.826 -31.406 1.00 0.00 C ATOM 64 ND1 HIS A 5 12.809 22.169 -31.231 1.00 0.00 N ATOM 65 CD2 HIS A 5 13.375 20.410 -32.391 1.00 0.00 C ATOM 66 CE1 HIS A 5 13.757 22.541 -32.069 1.00 0.00 C ATOM 67 NE2 HIS A 5 14.120 21.492 -32.784 1.00 0.00 N ATOM 0 H HIS A 5 13.545 20.832 -29.215 1.00 0.00 H new ATOM 0 HA HIS A 5 11.238 19.083 -28.731 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.020 19.353 -31.247 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.748 20.783 -30.271 1.00 0.00 H new ATOM 0 HD1 HIS A 5 12.345 22.779 -30.558 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.440 19.410 -32.793 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.167 23.536 -32.156 1.00 0.00 H new ATOM 76 N ASP A 6 12.983 17.181 -28.793 1.00 0.00 N ATOM 77 CA ASP A 6 13.721 15.944 -29.010 1.00 0.00 C ATOM 78 C ASP A 6 12.786 14.749 -28.935 1.00 0.00 C ATOM 79 O ASP A 6 12.992 13.736 -29.605 1.00 0.00 O ATOM 80 CB ASP A 6 14.822 15.772 -27.955 1.00 0.00 C ATOM 81 CG ASP A 6 15.803 16.927 -27.904 1.00 0.00 C ATOM 82 OD1 ASP A 6 15.825 17.649 -26.881 1.00 0.00 O ATOM 83 OD2 ASP A 6 16.567 17.113 -28.871 1.00 0.00 O ATOM 0 H ASP A 6 12.632 17.301 -27.843 1.00 0.00 H new ATOM 0 HA ASP A 6 14.173 15.999 -30.000 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.359 15.657 -26.975 1.00 0.00 H new ATOM 0 HB3 ASP A 6 15.369 14.851 -28.160 1.00 0.00 H new ATOM 88 N GLU A 7 11.756 14.876 -28.110 1.00 0.00 N ATOM 89 CA GLU A 7 10.843 13.778 -27.841 1.00 0.00 C ATOM 90 C GLU A 7 9.663 13.804 -28.799 1.00 0.00 C ATOM 91 O GLU A 7 9.253 14.865 -29.270 1.00 0.00 O ATOM 92 CB GLU A 7 10.329 13.866 -26.404 1.00 0.00 C ATOM 93 CG GLU A 7 11.431 13.987 -25.367 1.00 0.00 C ATOM 94 CD GLU A 7 10.892 14.099 -23.958 1.00 0.00 C ATOM 95 OE1 GLU A 7 10.931 13.086 -23.226 1.00 0.00 O ATOM 96 OE2 GLU A 7 10.425 15.195 -23.582 1.00 0.00 O ATOM 0 H GLU A 7 11.532 15.738 -27.612 1.00 0.00 H new ATOM 0 HA GLU A 7 11.388 12.844 -27.981 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.665 14.726 -26.317 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.733 12.980 -26.186 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.085 13.118 -25.434 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.040 14.863 -25.590 1.00 0.00 H new ATOM 103 N ARG A 8 9.127 12.629 -29.093 1.00 0.00 N ATOM 104 CA ARG A 8 7.905 12.525 -29.881 1.00 0.00 C ATOM 105 C ARG A 8 6.804 11.891 -29.043 1.00 0.00 C ATOM 106 O ARG A 8 5.705 11.624 -29.533 1.00 0.00 O ATOM 107 CB ARG A 8 8.132 11.701 -31.150 1.00 0.00 C ATOM 108 CG ARG A 8 8.489 10.254 -30.878 1.00 0.00 C ATOM 109 CD ARG A 8 8.399 9.416 -32.139 1.00 0.00 C ATOM 110 NE ARG A 8 8.777 8.031 -31.893 1.00 0.00 N ATOM 111 CZ ARG A 8 8.111 6.982 -32.362 1.00 0.00 C ATOM 112 NH1 ARG A 8 6.998 7.158 -33.065 1.00 0.00 N ATOM 113 NH2 ARG A 8 8.562 5.759 -32.127 1.00 0.00 N ATOM 0 H ARG A 8 9.518 11.734 -28.799 1.00 0.00 H new ATOM 0 HA ARG A 8 7.606 13.530 -30.179 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.230 11.735 -31.761 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.930 12.160 -31.733 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.499 10.197 -30.473 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.818 9.848 -30.121 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.381 9.452 -32.528 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.048 9.840 -32.905 1.00 0.00 H new ATOM 0 HE ARG A 8 9.606 7.856 -31.325 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.653 8.101 -33.246 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.489 6.351 -33.424 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.418 5.626 -31.588 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.054 4.950 -32.485 1.00 0.00 H new ATOM 127 N ARG A 9 7.119 11.638 -27.777 1.00 0.00 N ATOM 128 CA ARG A 9 6.151 11.078 -26.843 1.00 0.00 C ATOM 129 C ARG A 9 5.046 12.088 -26.559 1.00 0.00 C ATOM 130 O ARG A 9 5.318 13.263 -26.311 1.00 0.00 O ATOM 131 CB ARG A 9 6.834 10.661 -25.534 1.00 0.00 C ATOM 132 CG ARG A 9 7.778 11.716 -24.971 1.00 0.00 C ATOM 133 CD ARG A 9 8.160 11.433 -23.525 1.00 0.00 C ATOM 134 NE ARG A 9 8.734 10.099 -23.332 1.00 0.00 N ATOM 135 CZ ARG A 9 9.700 9.828 -22.453 1.00 0.00 C ATOM 136 NH1 ARG A 9 10.348 10.820 -21.850 1.00 0.00 N ATOM 137 NH2 ARG A 9 10.056 8.572 -22.219 1.00 0.00 N ATOM 0 H ARG A 9 8.040 11.813 -27.374 1.00 0.00 H new ATOM 0 HA ARG A 9 5.711 10.191 -27.299 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.069 10.438 -24.791 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.392 9.740 -25.703 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.680 11.757 -25.582 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.305 12.696 -25.035 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.878 12.182 -23.192 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.276 11.536 -22.895 1.00 0.00 H new ATOM 0 HE ARG A 9 8.374 9.334 -23.902 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.106 11.789 -22.059 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.087 10.612 -21.178 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.591 7.810 -22.712 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.795 8.368 -21.546 1.00 0.00 H new ATOM 151 N ARG A 10 3.806 11.634 -26.613 1.00 0.00 N ATOM 152 CA ARG A 10 2.668 12.505 -26.366 1.00 0.00 C ATOM 153 C ARG A 10 2.059 12.225 -25.001 1.00 0.00 C ATOM 154 O ARG A 10 2.744 11.750 -24.094 1.00 0.00 O ATOM 155 CB ARG A 10 1.615 12.336 -27.462 1.00 0.00 C ATOM 156 CG ARG A 10 2.020 12.948 -28.790 1.00 0.00 C ATOM 157 CD ARG A 10 0.903 12.841 -29.811 1.00 0.00 C ATOM 158 NE ARG A 10 1.262 13.475 -31.076 1.00 0.00 N ATOM 159 CZ ARG A 10 0.685 13.192 -32.240 1.00 0.00 C ATOM 160 NH1 ARG A 10 -0.327 12.335 -32.296 1.00 0.00 N ATOM 161 NH2 ARG A 10 1.109 13.786 -33.343 1.00 0.00 N ATOM 0 H ARG A 10 3.560 10.667 -26.826 1.00 0.00 H new ATOM 0 HA ARG A 10 3.022 13.536 -26.379 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.419 11.273 -27.605 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.681 12.791 -27.131 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.283 13.996 -28.645 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.910 12.445 -29.168 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.669 11.791 -29.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.001 13.307 -29.414 1.00 0.00 H new ATOM 0 HE ARG A 10 2.001 14.178 -31.066 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.666 11.890 -31.443 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.766 12.122 -33.192 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.875 14.458 -33.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.670 13.572 -34.238 1.00 0.00 H new ATOM 175 N PHE A 11 0.772 12.528 -24.866 1.00 0.00 N ATOM 176 CA PHE A 11 0.071 12.407 -23.596 1.00 0.00 C ATOM 177 C PHE A 11 0.034 10.958 -23.122 1.00 0.00 C ATOM 178 O PHE A 11 -0.780 10.159 -23.587 1.00 0.00 O ATOM 179 CB PHE A 11 -1.359 12.942 -23.727 1.00 0.00 C ATOM 180 CG PHE A 11 -1.448 14.271 -24.422 1.00 0.00 C ATOM 181 CD1 PHE A 11 -1.962 14.359 -25.707 1.00 0.00 C ATOM 182 CD2 PHE A 11 -1.015 15.428 -23.795 1.00 0.00 C ATOM 183 CE1 PHE A 11 -2.042 15.577 -26.352 1.00 0.00 C ATOM 184 CE2 PHE A 11 -1.094 16.650 -24.437 1.00 0.00 C ATOM 185 CZ PHE A 11 -1.608 16.724 -25.718 1.00 0.00 C ATOM 0 H PHE A 11 0.188 12.863 -25.632 1.00 0.00 H new ATOM 0 HA PHE A 11 0.614 12.998 -22.858 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.960 12.216 -24.274 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.796 13.033 -22.732 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.303 13.465 -26.208 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.612 15.375 -22.795 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.444 15.633 -27.353 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.754 17.546 -23.938 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.670 17.677 -26.222 1.00 0.00 H new ATOM 195 N HIS A 12 0.937 10.622 -22.217 1.00 0.00 N ATOM 196 CA HIS A 12 0.948 9.311 -21.600 1.00 0.00 C ATOM 197 C HIS A 12 0.510 9.433 -20.152 1.00 0.00 C ATOM 198 O HIS A 12 1.092 10.193 -19.380 1.00 0.00 O ATOM 199 CB HIS A 12 2.339 8.671 -21.689 1.00 0.00 C ATOM 200 CG HIS A 12 2.429 7.327 -21.023 1.00 0.00 C ATOM 201 ND1 HIS A 12 1.674 6.242 -21.412 1.00 0.00 N ATOM 202 CD2 HIS A 12 3.182 6.902 -19.982 1.00 0.00 C ATOM 203 CE1 HIS A 12 1.958 5.210 -20.641 1.00 0.00 C ATOM 204 NE2 HIS A 12 2.871 5.582 -19.766 1.00 0.00 N ATOM 0 H HIS A 12 1.676 11.245 -21.893 1.00 0.00 H new ATOM 0 HA HIS A 12 0.253 8.664 -22.135 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.614 8.566 -22.738 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.068 9.342 -21.234 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.895 7.491 -19.425 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.517 4.227 -20.714 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.280 4.986 -19.046 1.00 0.00 H new ATOM 213 N ARG A 13 -0.525 8.692 -19.800 1.00 0.00 N ATOM 214 CA ARG A 13 -1.075 8.731 -18.455 1.00 0.00 C ATOM 215 C ARG A 13 -0.235 7.888 -17.499 1.00 0.00 C ATOM 216 O ARG A 13 0.806 7.353 -17.895 1.00 0.00 O ATOM 217 CB ARG A 13 -2.534 8.293 -18.489 1.00 0.00 C ATOM 218 CG ARG A 13 -3.456 9.414 -18.942 1.00 0.00 C ATOM 219 CD ARG A 13 -4.701 8.897 -19.635 1.00 0.00 C ATOM 220 NE ARG A 13 -4.405 8.349 -20.962 1.00 0.00 N ATOM 221 CZ ARG A 13 -5.030 8.728 -22.081 1.00 0.00 C ATOM 222 NH1 ARG A 13 -5.930 9.703 -22.047 1.00 0.00 N ATOM 223 NH2 ARG A 13 -4.736 8.153 -23.238 1.00 0.00 N ATOM 0 H ARG A 13 -1.005 8.051 -20.431 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.041 9.753 -18.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.641 7.442 -19.161 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.834 7.955 -17.497 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.747 10.012 -18.079 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.914 10.074 -19.620 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.164 8.126 -19.020 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.425 9.706 -19.730 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.679 7.636 -21.036 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.147 10.166 -21.165 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.405 9.989 -22.903 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.030 7.418 -23.277 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.216 8.446 -24.089 1.00 0.00 H new ATOM 237 N ILE A 14 -0.674 7.767 -16.252 1.00 0.00 N ATOM 238 CA ILE A 14 0.174 7.192 -15.217 1.00 0.00 C ATOM 239 C ILE A 14 0.234 5.673 -15.324 1.00 0.00 C ATOM 240 O ILE A 14 -0.558 4.949 -14.725 1.00 0.00 O ATOM 241 CB ILE A 14 -0.287 7.609 -13.803 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.327 9.135 -13.687 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.639 7.030 -12.741 1.00 0.00 C ATOM 244 CD1 ILE A 14 1.021 9.798 -13.896 1.00 0.00 C ATOM 0 H ILE A 14 -1.600 8.055 -15.936 1.00 0.00 H new ATOM 0 HA ILE A 14 1.177 7.588 -15.377 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.290 7.214 -13.641 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.033 9.528 -14.419 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.706 9.406 -12.702 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.296 7.336 -11.753 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.632 5.942 -12.806 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.653 7.397 -12.903 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.914 10.878 -13.799 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.725 9.434 -13.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.394 9.558 -14.892 1.00 0.00 H new ATOM 256 N ALA A 15 1.195 5.209 -16.101 1.00 0.00 N ATOM 257 CA ALA A 15 1.441 3.791 -16.276 1.00 0.00 C ATOM 258 C ALA A 15 2.913 3.567 -16.577 1.00 0.00 C ATOM 259 O ALA A 15 3.395 3.929 -17.649 1.00 0.00 O ATOM 260 CB ALA A 15 0.576 3.232 -17.395 1.00 0.00 C ATOM 0 H ALA A 15 1.829 5.808 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 15 1.180 3.267 -15.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.775 2.167 -17.511 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.476 3.380 -17.150 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.808 3.748 -18.327 1.00 0.00 H new ATOM 266 N PHE A 16 3.629 3.003 -15.623 1.00 0.00 N ATOM 267 CA PHE A 16 5.058 2.791 -15.776 1.00 0.00 C ATOM 268 C PHE A 16 5.318 1.379 -16.273 1.00 0.00 C ATOM 269 O PHE A 16 4.435 0.524 -16.207 1.00 0.00 O ATOM 270 CB PHE A 16 5.780 3.000 -14.442 1.00 0.00 C ATOM 271 CG PHE A 16 5.259 4.157 -13.635 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.578 3.926 -12.451 1.00 0.00 C ATOM 273 CD2 PHE A 16 5.444 5.468 -14.052 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.094 4.974 -11.696 1.00 0.00 C ATOM 275 CE2 PHE A 16 4.959 6.523 -13.299 1.00 0.00 C ATOM 276 CZ PHE A 16 4.284 6.275 -12.119 1.00 0.00 C ATOM 0 H PHE A 16 3.246 2.683 -14.734 1.00 0.00 H new ATOM 0 HA PHE A 16 5.438 3.512 -16.500 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.694 2.090 -13.849 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.841 3.155 -14.636 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.424 2.911 -12.114 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.972 5.667 -14.973 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.567 4.777 -10.774 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.108 7.539 -13.633 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.906 7.097 -11.529 1.00 0.00 H new ATOM 286 N ASP A 17 6.532 1.130 -16.746 1.00 0.00 N ATOM 287 CA ASP A 17 6.936 -0.208 -17.176 1.00 0.00 C ATOM 288 C ASP A 17 7.276 -1.074 -15.963 1.00 0.00 C ATOM 289 O ASP A 17 8.293 -1.770 -15.927 1.00 0.00 O ATOM 290 CB ASP A 17 8.129 -0.133 -18.144 1.00 0.00 C ATOM 291 CG ASP A 17 9.275 0.712 -17.621 1.00 0.00 C ATOM 292 OD1 ASP A 17 10.271 0.142 -17.127 1.00 0.00 O ATOM 293 OD2 ASP A 17 9.186 1.956 -17.710 1.00 0.00 O ATOM 0 H ASP A 17 7.259 1.839 -16.843 1.00 0.00 H new ATOM 0 HA ASP A 17 6.101 -0.667 -17.706 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.491 -1.142 -18.341 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.790 0.276 -19.096 1.00 0.00 H new ATOM 298 N ALA A 18 6.388 -1.042 -14.982 1.00 0.00 N ATOM 299 CA ALA A 18 6.578 -1.758 -13.735 1.00 0.00 C ATOM 300 C ALA A 18 5.639 -2.955 -13.662 1.00 0.00 C ATOM 301 O ALA A 18 4.795 -3.146 -14.539 1.00 0.00 O ATOM 302 CB ALA A 18 6.337 -0.821 -12.559 1.00 0.00 C ATOM 0 H ALA A 18 5.515 -0.517 -15.030 1.00 0.00 H new ATOM 0 HA ALA A 18 7.604 -2.124 -13.690 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.481 -1.365 -11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.040 0.011 -12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.317 -0.438 -12.602 1.00 0.00 H new ATOM 308 N ASP A 19 5.793 -3.766 -12.626 1.00 0.00 N ATOM 309 CA ASP A 19 4.921 -4.918 -12.423 1.00 0.00 C ATOM 310 C ASP A 19 3.767 -4.534 -11.512 1.00 0.00 C ATOM 311 O ASP A 19 3.976 -3.939 -10.454 1.00 0.00 O ATOM 312 CB ASP A 19 5.693 -6.100 -11.818 1.00 0.00 C ATOM 313 CG ASP A 19 6.815 -6.595 -12.709 1.00 0.00 C ATOM 314 OD1 ASP A 19 7.895 -5.967 -12.715 1.00 0.00 O ATOM 315 OD2 ASP A 19 6.626 -7.620 -13.398 1.00 0.00 O ATOM 0 H ASP A 19 6.512 -3.650 -11.912 1.00 0.00 H new ATOM 0 HA ASP A 19 4.534 -5.228 -13.394 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.107 -5.801 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.000 -6.919 -11.627 1.00 0.00 H new ATOM 320 N SER A 20 2.557 -4.852 -11.932 1.00 0.00 N ATOM 321 CA SER A 20 1.372 -4.531 -11.157 1.00 0.00 C ATOM 322 C SER A 20 0.513 -5.771 -10.933 1.00 0.00 C ATOM 323 O SER A 20 -0.073 -6.313 -11.870 1.00 0.00 O ATOM 324 CB SER A 20 0.576 -3.434 -11.867 1.00 0.00 C ATOM 325 OG SER A 20 0.587 -3.622 -13.273 1.00 0.00 O ATOM 0 H SER A 20 2.368 -5.335 -12.810 1.00 0.00 H new ATOM 0 HA SER A 20 1.680 -4.166 -10.177 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.452 -3.435 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.999 -2.459 -11.624 1.00 0.00 H new ATOM 0 HG SER A 20 0.194 -4.493 -13.490 1.00 0.00 H new ATOM 331 N GLU A 21 0.459 -6.228 -9.692 1.00 0.00 N ATOM 332 CA GLU A 21 -0.340 -7.395 -9.351 1.00 0.00 C ATOM 333 C GLU A 21 -1.519 -7.008 -8.474 1.00 0.00 C ATOM 334 O GLU A 21 -1.408 -6.137 -7.614 1.00 0.00 O ATOM 335 CB GLU A 21 0.498 -8.443 -8.617 1.00 0.00 C ATOM 336 CG GLU A 21 1.717 -8.904 -9.388 1.00 0.00 C ATOM 337 CD GLU A 21 2.416 -10.068 -8.714 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.319 -9.824 -7.884 1.00 0.00 O ATOM 339 OE2 GLU A 21 2.070 -11.228 -9.012 1.00 0.00 O ATOM 0 H GLU A 21 0.957 -5.810 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.705 -7.818 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.820 -8.032 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.129 -9.307 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.419 -9.196 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.415 -8.073 -9.490 1.00 0.00 H new ATOM 346 N ILE A 22 -2.646 -7.650 -8.706 1.00 0.00 N ATOM 347 CA ILE A 22 -3.795 -7.511 -7.836 1.00 0.00 C ATOM 348 C ILE A 22 -3.860 -8.714 -6.909 1.00 0.00 C ATOM 349 O ILE A 22 -3.852 -9.857 -7.362 1.00 0.00 O ATOM 350 CB ILE A 22 -5.109 -7.379 -8.638 1.00 0.00 C ATOM 351 CG1 ILE A 22 -5.079 -6.099 -9.480 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.313 -7.378 -7.704 1.00 0.00 C ATOM 353 CD1 ILE A 22 -6.306 -5.901 -10.345 1.00 0.00 C ATOM 0 H ILE A 22 -2.790 -8.278 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.681 -6.596 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.200 -8.237 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.974 -5.242 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.196 -6.117 -10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.228 -7.284 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.337 -8.311 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.237 -6.538 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.208 -4.974 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.403 -6.738 -11.037 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.192 -5.849 -9.713 1.00 0.00 H new ATOM 365 N LEU A 23 -3.888 -8.455 -5.616 1.00 0.00 N ATOM 366 CA LEU A 23 -3.839 -9.519 -4.632 1.00 0.00 C ATOM 367 C LEU A 23 -5.153 -9.625 -3.883 1.00 0.00 C ATOM 368 O LEU A 23 -5.977 -8.711 -3.915 1.00 0.00 O ATOM 369 CB LEU A 23 -2.719 -9.265 -3.620 1.00 0.00 C ATOM 370 CG LEU A 23 -1.353 -8.926 -4.210 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.364 -8.643 -3.096 1.00 0.00 C ATOM 372 CD2 LEU A 23 -0.849 -10.054 -5.096 1.00 0.00 C ATOM 0 H LEU A 23 -3.944 -7.516 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.650 -10.450 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.024 -8.448 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.613 -10.151 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.455 -8.034 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.608 -8.402 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.717 -7.800 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.271 -9.523 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.126 -9.788 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.759 -10.967 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.552 -10.217 -5.913 1.00 0.00 H new ATOM 384 N GLN A 24 -5.336 -10.751 -3.221 1.00 0.00 N ATOM 385 CA GLN A 24 -6.440 -10.929 -2.299 1.00 0.00 C ATOM 386 C GLN A 24 -5.983 -11.836 -1.167 1.00 0.00 C ATOM 387 O GLN A 24 -6.321 -13.023 -1.118 1.00 0.00 O ATOM 388 CB GLN A 24 -7.668 -11.507 -3.013 1.00 0.00 C ATOM 389 CG GLN A 24 -8.923 -11.546 -2.150 1.00 0.00 C ATOM 390 CD GLN A 24 -10.158 -11.943 -2.934 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.197 -11.586 -4.209 1.00 0.00 O flip ATOM 392 NE2 GLN A 24 -11.079 -12.556 -2.398 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.727 -11.564 -3.307 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.737 -9.962 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.870 -10.913 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.438 -12.518 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.775 -12.251 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.082 -10.565 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.015 -12.815 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.908 -12.806 -2.938 1.00 0.00 H new ATOM 401 N GLY A 25 -5.142 -11.279 -0.301 1.00 0.00 N ATOM 402 CA GLY A 25 -4.599 -12.025 0.820 1.00 0.00 C ATOM 403 C GLY A 25 -3.516 -13.013 0.412 1.00 0.00 C ATOM 404 O GLY A 25 -2.370 -12.910 0.852 1.00 0.00 O ATOM 0 H GLY A 25 -4.824 -10.312 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.189 -11.326 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.407 -12.564 1.315 1.00 0.00 H new ATOM 408 N GLU A 26 -3.877 -13.957 -0.445 1.00 0.00 N ATOM 409 CA GLU A 26 -2.995 -15.066 -0.793 1.00 0.00 C ATOM 410 C GLU A 26 -2.708 -15.135 -2.294 1.00 0.00 C ATOM 411 O GLU A 26 -1.564 -15.319 -2.709 1.00 0.00 O ATOM 412 CB GLU A 26 -3.637 -16.374 -0.335 1.00 0.00 C ATOM 413 CG GLU A 26 -5.066 -16.538 -0.828 1.00 0.00 C ATOM 414 CD GLU A 26 -5.704 -17.826 -0.375 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.714 -18.792 -1.161 1.00 0.00 O ATOM 416 OE2 GLU A 26 -6.211 -17.869 0.761 1.00 0.00 O ATOM 0 H GLU A 26 -4.781 -13.978 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.042 -14.905 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.037 -17.211 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.627 -16.416 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.665 -15.699 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.075 -16.499 -1.917 1.00 0.00 H new ATOM 423 N ARG A 27 -3.750 -14.993 -3.104 1.00 0.00 N ATOM 424 CA ARG A 27 -3.633 -15.197 -4.539 1.00 0.00 C ATOM 425 C ARG A 27 -3.185 -13.926 -5.243 1.00 0.00 C ATOM 426 O ARG A 27 -3.476 -12.816 -4.789 1.00 0.00 O ATOM 427 CB ARG A 27 -4.956 -15.708 -5.111 1.00 0.00 C ATOM 428 CG ARG A 27 -4.943 -17.199 -5.412 1.00 0.00 C ATOM 429 CD ARG A 27 -6.336 -17.802 -5.341 1.00 0.00 C ATOM 430 NE ARG A 27 -6.781 -17.987 -3.955 1.00 0.00 N ATOM 431 CZ ARG A 27 -8.026 -18.309 -3.607 1.00 0.00 C ATOM 432 NH1 ARG A 27 -8.955 -18.466 -4.536 1.00 0.00 N ATOM 433 NH2 ARG A 27 -8.328 -18.492 -2.326 1.00 0.00 N ATOM 0 H ARG A 27 -4.686 -14.737 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.867 -15.952 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.757 -15.494 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.184 -15.161 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.525 -17.366 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.290 -17.707 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.039 -17.155 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.343 -18.763 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.094 -17.861 -3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.718 -18.341 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.908 -18.713 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.607 -18.386 -1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.280 -18.739 -2.057 1.00 0.00 H new ATOM 447 N ARG A 28 -2.470 -14.111 -6.349 1.00 0.00 N ATOM 448 CA ARG A 28 -1.827 -13.013 -7.059 1.00 0.00 C ATOM 449 C ARG A 28 -2.245 -13.018 -8.526 1.00 0.00 C ATOM 450 O ARG A 28 -2.193 -14.056 -9.187 1.00 0.00 O ATOM 451 CB ARG A 28 -0.304 -13.168 -6.966 1.00 0.00 C ATOM 452 CG ARG A 28 0.187 -13.573 -5.584 1.00 0.00 C ATOM 453 CD ARG A 28 1.630 -14.049 -5.624 1.00 0.00 C ATOM 454 NE ARG A 28 2.557 -13.068 -5.064 1.00 0.00 N ATOM 455 CZ ARG A 28 3.579 -12.548 -5.738 1.00 0.00 C ATOM 456 NH1 ARG A 28 3.731 -12.810 -7.027 1.00 0.00 N ATOM 457 NH2 ARG A 28 4.438 -11.745 -5.129 1.00 0.00 N ATOM 0 H ARG A 28 -2.321 -15.025 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.132 -12.070 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.021 -13.915 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.166 -12.225 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.101 -12.726 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.448 -14.366 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.717 -14.984 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.911 -14.262 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 28 2.412 -12.765 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.063 -13.413 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.516 -12.409 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.317 -11.524 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.221 -11.348 -5.648 1.00 0.00 H new ATOM 471 N TRP A 29 -2.670 -11.872 -9.032 1.00 0.00 N ATOM 472 CA TRP A 29 -3.046 -11.758 -10.435 1.00 0.00 C ATOM 473 C TRP A 29 -2.305 -10.606 -11.101 1.00 0.00 C ATOM 474 O TRP A 29 -2.605 -9.440 -10.847 1.00 0.00 O ATOM 475 CB TRP A 29 -4.558 -11.551 -10.575 1.00 0.00 C ATOM 476 CG TRP A 29 -5.370 -12.705 -10.071 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.598 -13.887 -10.714 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.072 -12.785 -8.823 1.00 0.00 C ATOM 479 NE1 TRP A 29 -6.389 -14.700 -9.940 1.00 0.00 N ATOM 480 CE2 TRP A 29 -6.693 -14.047 -8.775 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.230 -11.916 -7.739 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -7.462 -14.457 -7.691 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -6.994 -12.324 -6.663 1.00 0.00 C ATOM 484 CH2 TRP A 29 -7.601 -13.586 -6.646 1.00 0.00 C ATOM 0 H TRP A 29 -2.764 -11.009 -8.496 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.769 -12.688 -10.932 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.845 -10.651 -10.032 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.797 -11.380 -11.625 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.213 -14.145 -11.689 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.700 -15.638 -10.192 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.763 -10.942 -7.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.933 -15.429 -7.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.125 -11.660 -5.822 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.191 -13.877 -5.790 1.00 0.00 H new ATOM 495 N GLU A 30 -1.330 -10.929 -11.942 1.00 0.00 N ATOM 496 CA GLU A 30 -0.589 -9.905 -12.668 1.00 0.00 C ATOM 497 C GLU A 30 -1.494 -9.236 -13.699 1.00 0.00 C ATOM 498 O GLU A 30 -2.027 -9.898 -14.594 1.00 0.00 O ATOM 499 CB GLU A 30 0.636 -10.499 -13.366 1.00 0.00 C ATOM 500 CG GLU A 30 1.489 -9.456 -14.071 1.00 0.00 C ATOM 501 CD GLU A 30 2.522 -10.066 -14.991 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.237 -10.202 -16.200 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.620 -10.421 -14.516 1.00 0.00 O ATOM 0 H GLU A 30 -1.035 -11.886 -12.137 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.247 -9.163 -11.947 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.247 -11.022 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.307 -11.242 -14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.842 -8.794 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.992 -8.841 -13.325 1.00 0.00 H new ATOM 510 N VAL A 31 -1.663 -7.931 -13.573 1.00 0.00 N ATOM 511 CA VAL A 31 -2.535 -7.186 -14.465 1.00 0.00 C ATOM 512 C VAL A 31 -1.775 -6.009 -15.076 1.00 0.00 C ATOM 513 O VAL A 31 -0.813 -5.515 -14.491 1.00 0.00 O ATOM 514 CB VAL A 31 -3.794 -6.679 -13.720 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.423 -5.638 -12.675 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.826 -6.127 -14.695 1.00 0.00 C ATOM 0 H VAL A 31 -1.206 -7.364 -12.859 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.860 -7.856 -15.261 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.243 -7.529 -13.207 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.324 -5.297 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.740 -6.079 -11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.939 -4.791 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.699 -5.779 -14.143 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.393 -5.296 -15.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.126 -6.911 -15.390 1.00 0.00 H new ATOM 526 N LEU A 32 -2.190 -5.583 -16.258 1.00 0.00 N ATOM 527 CA LEU A 32 -1.554 -4.453 -16.919 1.00 0.00 C ATOM 528 C LEU A 32 -2.077 -3.138 -16.358 1.00 0.00 C ATOM 529 O LEU A 32 -3.290 -2.913 -16.304 1.00 0.00 O ATOM 530 CB LEU A 32 -1.787 -4.495 -18.435 1.00 0.00 C ATOM 531 CG LEU A 32 -0.936 -5.502 -19.218 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.324 -6.934 -18.883 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.066 -5.247 -20.712 1.00 0.00 C ATOM 0 H LEU A 32 -2.962 -6.000 -16.779 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.483 -4.522 -16.729 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.838 -4.720 -18.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.600 -3.500 -18.839 1.00 0.00 H new ATOM 0 HG LEU A 32 0.105 -5.366 -18.926 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.702 -7.623 -19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.177 -7.111 -17.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.372 -7.096 -19.136 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.458 -5.968 -21.258 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.109 -5.353 -21.010 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.724 -4.237 -20.940 1.00 0.00 H new ATOM 545 N LEU A 33 -1.155 -2.285 -15.938 1.00 0.00 N ATOM 546 CA LEU A 33 -1.494 -0.959 -15.449 1.00 0.00 C ATOM 547 C LEU A 33 -1.809 -0.039 -16.624 1.00 0.00 C ATOM 548 O LEU A 33 -1.164 -0.115 -17.667 1.00 0.00 O ATOM 549 CB LEU A 33 -0.331 -0.391 -14.628 1.00 0.00 C ATOM 550 CG LEU A 33 -0.567 0.994 -14.021 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.704 0.952 -13.012 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.707 1.513 -13.370 1.00 0.00 C ATOM 0 H LEU A 33 -0.156 -2.492 -15.927 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.374 -1.028 -14.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.104 -1.088 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.552 -0.343 -15.266 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.848 1.677 -14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.855 1.947 -12.593 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.618 0.624 -13.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.455 0.255 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.522 2.499 -12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.017 0.828 -12.581 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.496 1.584 -14.119 1.00 0.00 H new ATOM 564 N HIS A 34 -2.822 0.802 -16.470 1.00 0.00 N ATOM 565 CA HIS A 34 -3.166 1.768 -17.508 1.00 0.00 C ATOM 566 C HIS A 34 -3.126 3.183 -16.936 1.00 0.00 C ATOM 567 O HIS A 34 -2.729 4.123 -17.623 1.00 0.00 O ATOM 568 CB HIS A 34 -4.546 1.464 -18.113 1.00 0.00 C ATOM 569 CG HIS A 34 -4.613 0.169 -18.882 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.830 0.101 -20.245 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.516 -1.115 -18.462 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.865 -1.164 -20.623 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.678 -1.924 -19.562 1.00 0.00 N ATOM 0 H HIS A 34 -3.418 0.837 -15.643 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.431 1.691 -18.309 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.283 1.436 -17.311 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.828 2.282 -18.776 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.343 -1.444 -17.448 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.021 -1.517 -21.632 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.657 -2.944 -19.558 1.00 0.00 H new ATOM 582 N ASP A 35 -3.549 3.313 -15.680 1.00 0.00 N ATOM 583 CA ASP A 35 -3.418 4.562 -14.929 1.00 0.00 C ATOM 584 C ASP A 35 -3.617 4.272 -13.443 1.00 0.00 C ATOM 585 O ASP A 35 -4.159 3.226 -13.084 1.00 0.00 O ATOM 586 CB ASP A 35 -4.421 5.621 -15.407 1.00 0.00 C ATOM 587 CG ASP A 35 -4.082 7.009 -14.882 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.403 7.774 -15.603 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.478 7.327 -13.745 1.00 0.00 O ATOM 0 H ASP A 35 -3.991 2.559 -15.155 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.420 4.966 -15.099 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.436 5.640 -16.497 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.423 5.345 -15.079 1.00 0.00 H new ATOM 594 N VAL A 36 -3.163 5.174 -12.585 1.00 0.00 N ATOM 595 CA VAL A 36 -3.330 5.028 -11.145 1.00 0.00 C ATOM 596 C VAL A 36 -3.247 6.393 -10.464 1.00 0.00 C ATOM 597 O VAL A 36 -2.277 7.131 -10.634 1.00 0.00 O ATOM 598 CB VAL A 36 -2.292 4.049 -10.534 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.867 4.455 -10.871 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.472 3.941 -9.026 1.00 0.00 C ATOM 0 H VAL A 36 -2.671 6.023 -12.864 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.317 4.600 -10.970 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.471 3.070 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.171 3.744 -10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.736 4.460 -11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.670 5.452 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.734 3.250 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.338 4.923 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.474 3.573 -8.805 1.00 0.00 H new ATOM 610 N SER A 37 -4.274 6.730 -9.699 1.00 0.00 N ATOM 611 CA SER A 37 -4.350 8.035 -9.070 1.00 0.00 C ATOM 612 C SER A 37 -4.721 7.917 -7.593 1.00 0.00 C ATOM 613 O SER A 37 -4.818 6.817 -7.047 1.00 0.00 O ATOM 614 CB SER A 37 -5.371 8.909 -9.806 1.00 0.00 C ATOM 615 OG SER A 37 -6.650 8.295 -9.825 1.00 0.00 O ATOM 0 H SER A 37 -5.065 6.117 -9.500 1.00 0.00 H new ATOM 0 HA SER A 37 -3.367 8.501 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.439 9.882 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.034 9.086 -10.827 1.00 0.00 H new ATOM 0 HG SER A 37 -7.326 8.938 -9.525 1.00 0.00 H new ATOM 621 N LEU A 38 -4.955 9.064 -6.963 1.00 0.00 N ATOM 622 CA LEU A 38 -5.271 9.128 -5.536 1.00 0.00 C ATOM 623 C LEU A 38 -6.740 8.776 -5.292 1.00 0.00 C ATOM 624 O LEU A 38 -7.200 8.693 -4.157 1.00 0.00 O ATOM 625 CB LEU A 38 -4.962 10.538 -5.014 1.00 0.00 C ATOM 626 CG LEU A 38 -5.150 10.759 -3.508 1.00 0.00 C ATOM 627 CD1 LEU A 38 -4.215 9.866 -2.709 1.00 0.00 C ATOM 628 CD2 LEU A 38 -4.923 12.223 -3.156 1.00 0.00 C ATOM 0 H LEU A 38 -4.932 9.974 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.660 8.402 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.930 10.779 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.596 11.247 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.175 10.493 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.367 10.041 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.425 8.821 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.182 10.095 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.060 12.365 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.909 12.511 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.637 12.843 -3.698 1.00 0.00 H new ATOM 640 N HIS A 39 -7.465 8.563 -6.378 1.00 0.00 N ATOM 641 CA HIS A 39 -8.906 8.308 -6.316 1.00 0.00 C ATOM 642 C HIS A 39 -9.157 6.837 -6.503 1.00 0.00 C ATOM 643 O HIS A 39 -10.101 6.260 -5.965 1.00 0.00 O ATOM 644 CB HIS A 39 -9.621 9.072 -7.433 1.00 0.00 C ATOM 645 CG HIS A 39 -8.969 10.370 -7.741 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.600 10.756 -9.005 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.573 11.348 -6.916 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.002 11.928 -8.938 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.973 12.313 -7.678 1.00 0.00 N ATOM 0 H HIS A 39 -7.081 8.561 -7.323 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.284 8.637 -5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.643 8.457 -8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.657 9.249 -7.143 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.762 10.222 -9.859 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.704 11.371 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.602 12.481 -9.775 1.00 0.00 H new ATOM 658 N GLY A 40 -8.273 6.244 -7.264 1.00 0.00 N ATOM 659 CA GLY A 40 -8.422 4.870 -7.655 1.00 0.00 C ATOM 660 C GLY A 40 -7.405 4.480 -8.695 1.00 0.00 C ATOM 661 O GLY A 40 -6.607 5.312 -9.131 1.00 0.00 O ATOM 0 H GLY A 40 -7.435 6.699 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.315 4.228 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.426 4.709 -8.048 1.00 0.00 H new ATOM 665 N ILE A 41 -7.440 3.230 -9.103 1.00 0.00 N ATOM 666 CA ILE A 41 -6.502 2.723 -10.086 1.00 0.00 C ATOM 667 C ILE A 41 -7.257 2.142 -11.275 1.00 0.00 C ATOM 668 O ILE A 41 -8.287 1.482 -11.112 1.00 0.00 O ATOM 669 CB ILE A 41 -5.559 1.661 -9.466 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.587 1.106 -10.514 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.360 0.535 -8.831 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.587 0.115 -9.954 1.00 0.00 C ATOM 0 H ILE A 41 -8.112 2.540 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.884 3.553 -10.430 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.973 2.149 -8.687 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.158 0.623 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.047 1.935 -10.970 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.678 -0.199 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.998 0.940 -8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.979 0.056 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.934 -0.234 -10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.989 0.599 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.118 -0.734 -9.523 1.00 0.00 H new ATOM 684 N LEU A 42 -6.758 2.411 -12.464 1.00 0.00 N ATOM 685 CA LEU A 42 -7.405 1.970 -13.681 1.00 0.00 C ATOM 686 C LEU A 42 -6.536 0.950 -14.405 1.00 0.00 C ATOM 687 O LEU A 42 -5.556 1.299 -15.069 1.00 0.00 O ATOM 688 CB LEU A 42 -7.696 3.171 -14.584 1.00 0.00 C ATOM 689 CG LEU A 42 -8.431 2.855 -15.888 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.776 2.203 -15.605 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.622 4.123 -16.699 1.00 0.00 C ATOM 0 H LEU A 42 -5.898 2.938 -12.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.350 1.491 -13.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.288 3.892 -14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.751 3.656 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.826 2.154 -16.463 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.281 1.987 -16.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.622 1.275 -15.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.390 2.879 -15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.146 3.887 -17.625 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.208 4.839 -16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.649 4.555 -16.933 1.00 0.00 H new ATOM 703 N VAL A 43 -6.881 -0.312 -14.248 1.00 0.00 N ATOM 704 CA VAL A 43 -6.189 -1.385 -14.935 1.00 0.00 C ATOM 705 C VAL A 43 -7.066 -1.906 -16.062 1.00 0.00 C ATOM 706 O VAL A 43 -8.128 -1.345 -16.329 1.00 0.00 O ATOM 707 CB VAL A 43 -5.815 -2.544 -13.987 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.877 -2.057 -12.894 1.00 0.00 C ATOM 709 CG2 VAL A 43 -7.060 -3.183 -13.389 1.00 0.00 C ATOM 0 H VAL A 43 -7.643 -0.622 -13.645 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.258 -0.980 -15.332 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.296 -3.306 -14.569 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.624 -2.888 -12.235 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.967 -1.661 -13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.367 -1.272 -12.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.768 -3.997 -12.725 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.617 -2.436 -12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.688 -3.575 -14.189 1.00 0.00 H new ATOM 719 N GLY A 44 -6.632 -2.956 -16.733 1.00 0.00 N ATOM 720 CA GLY A 44 -7.440 -3.496 -17.798 1.00 0.00 C ATOM 721 C GLY A 44 -6.819 -4.692 -18.470 1.00 0.00 C ATOM 722 O GLY A 44 -5.700 -4.604 -18.986 1.00 0.00 O ATOM 0 H GLY A 44 -5.749 -3.438 -16.563 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.414 -3.778 -17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.614 -2.719 -18.543 1.00 0.00 H new ATOM 726 N GLN A 45 -7.553 -5.802 -18.446 1.00 0.00 N ATOM 727 CA GLN A 45 -7.157 -7.043 -19.107 1.00 0.00 C ATOM 728 C GLN A 45 -8.198 -8.139 -18.833 1.00 0.00 C ATOM 729 O GLN A 45 -8.788 -8.677 -19.769 1.00 0.00 O ATOM 730 CB GLN A 45 -5.762 -7.505 -18.656 1.00 0.00 C ATOM 731 CG GLN A 45 -4.830 -7.851 -19.810 1.00 0.00 C ATOM 732 CD GLN A 45 -5.336 -8.999 -20.664 1.00 0.00 C ATOM 733 OE1 GLN A 45 -5.997 -9.916 -20.172 1.00 0.00 O ATOM 734 NE2 GLN A 45 -5.037 -8.949 -21.953 1.00 0.00 N ATOM 0 H GLN A 45 -8.449 -5.866 -17.962 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.109 -6.852 -20.179 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.305 -6.719 -18.055 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.868 -8.378 -18.012 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.698 -6.970 -20.438 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.849 -8.108 -19.411 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.487 -8.172 -22.319 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.356 -9.688 -22.580 1.00 0.00 H new ATOM 743 N PRO A 46 -8.466 -8.483 -17.550 1.00 0.00 N ATOM 744 CA PRO A 46 -9.433 -9.520 -17.207 1.00 0.00 C ATOM 745 C PRO A 46 -10.866 -8.999 -17.220 1.00 0.00 C ATOM 746 O PRO A 46 -11.115 -7.820 -16.960 1.00 0.00 O ATOM 747 CB PRO A 46 -9.040 -9.942 -15.782 1.00 0.00 C ATOM 748 CG PRO A 46 -7.878 -9.080 -15.394 1.00 0.00 C ATOM 749 CD PRO A 46 -7.873 -7.913 -16.337 1.00 0.00 C ATOM 0 HA PRO A 46 -9.411 -10.339 -17.926 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.873 -9.805 -15.092 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.769 -10.997 -15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.974 -8.743 -14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.943 -9.637 -15.462 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.459 -7.078 -15.953 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.865 -7.539 -16.515 1.00 0.00 H new ATOM 757 N GLN A 47 -11.800 -9.879 -17.535 1.00 0.00 N ATOM 758 CA GLN A 47 -13.216 -9.531 -17.530 1.00 0.00 C ATOM 759 C GLN A 47 -13.958 -10.344 -16.474 1.00 0.00 C ATOM 760 O GLN A 47 -15.095 -10.038 -16.119 1.00 0.00 O ATOM 761 CB GLN A 47 -13.823 -9.767 -18.913 1.00 0.00 C ATOM 762 CG GLN A 47 -13.602 -11.176 -19.441 1.00 0.00 C ATOM 763 CD GLN A 47 -14.083 -11.356 -20.867 1.00 0.00 C ATOM 764 OE1 GLN A 47 -15.114 -10.618 -21.249 1.00 0.00 O flip ATOM 765 NE2 GLN A 47 -13.530 -12.157 -21.622 1.00 0.00 N flip ATOM 0 H GLN A 47 -11.605 -10.845 -17.799 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.316 -8.474 -17.284 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.894 -9.568 -18.870 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.394 -9.053 -19.616 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.540 -11.415 -19.389 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.121 -11.885 -18.796 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.738 -12.708 -21.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.864 -12.270 -22.579 1.00 0.00 H new ATOM 774 N ASP A 48 -13.294 -11.380 -15.979 1.00 0.00 N ATOM 775 CA ASP A 48 -13.852 -12.245 -14.949 1.00 0.00 C ATOM 776 C ASP A 48 -12.902 -12.306 -13.766 1.00 0.00 C ATOM 777 O ASP A 48 -11.732 -11.941 -13.891 1.00 0.00 O ATOM 778 CB ASP A 48 -14.105 -13.656 -15.492 1.00 0.00 C ATOM 779 CG ASP A 48 -15.476 -13.811 -16.121 1.00 0.00 C ATOM 780 OD1 ASP A 48 -15.673 -13.356 -17.269 1.00 0.00 O ATOM 781 OD2 ASP A 48 -16.365 -14.401 -15.472 1.00 0.00 O ATOM 0 H ASP A 48 -12.356 -11.644 -16.279 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.808 -11.830 -14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.342 -13.897 -16.232 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.000 -14.376 -14.680 1.00 0.00 H new ATOM 786 N TRP A 49 -13.398 -12.761 -12.626 1.00 0.00 N ATOM 787 CA TRP A 49 -12.600 -12.793 -11.410 1.00 0.00 C ATOM 788 C TRP A 49 -12.743 -14.118 -10.683 1.00 0.00 C ATOM 789 O TRP A 49 -13.449 -15.018 -11.138 1.00 0.00 O ATOM 790 CB TRP A 49 -12.989 -11.642 -10.481 1.00 0.00 C ATOM 791 CG TRP A 49 -12.473 -10.318 -10.941 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.146 -9.378 -11.663 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.160 -9.796 -10.718 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.335 -8.297 -11.897 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.108 -8.529 -11.327 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.023 -10.278 -10.061 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -9.964 -7.737 -11.295 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.890 -9.491 -10.031 1.00 0.00 C ATOM 799 CH2 TRP A 49 -8.868 -8.232 -10.642 1.00 0.00 C ATOM 0 H TRP A 49 -14.349 -13.113 -12.517 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.556 -12.679 -11.702 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -14.075 -11.595 -10.405 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.608 -11.846 -9.480 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.168 -9.471 -12.001 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.601 -7.457 -12.411 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.032 -11.248 -9.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.942 -6.767 -11.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.005 -9.853 -9.528 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.967 -7.638 -10.597 1.00 0.00 H new ATOM 810 N ASN A 50 -12.061 -14.224 -9.550 1.00 0.00 N ATOM 811 CA ASN A 50 -12.075 -15.441 -8.748 1.00 0.00 C ATOM 812 C ASN A 50 -13.380 -15.552 -7.976 1.00 0.00 C ATOM 813 O ASN A 50 -13.894 -16.647 -7.749 1.00 0.00 O ATOM 814 CB ASN A 50 -10.888 -15.445 -7.774 1.00 0.00 C ATOM 815 CG ASN A 50 -10.808 -16.714 -6.942 1.00 0.00 C ATOM 816 OD1 ASN A 50 -10.176 -17.691 -7.337 1.00 0.00 O ATOM 817 ND2 ASN A 50 -11.434 -16.704 -5.777 1.00 0.00 N ATOM 0 H ASN A 50 -11.487 -13.475 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.990 -16.298 -9.416 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.962 -15.327 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.968 -14.585 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.402 -17.526 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.949 -15.875 -5.482 1.00 0.00 H new ATOM 824 N GLY A 51 -13.913 -14.408 -7.581 1.00 0.00 N ATOM 825 CA GLY A 51 -15.129 -14.393 -6.801 1.00 0.00 C ATOM 826 C GLY A 51 -16.086 -13.312 -7.249 1.00 0.00 C ATOM 827 O GLY A 51 -16.948 -13.553 -8.092 1.00 0.00 O ATOM 0 H GLY A 51 -13.524 -13.488 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.619 -15.364 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.882 -14.243 -5.750 1.00 0.00 H new ATOM 831 N ASP A 52 -15.919 -12.114 -6.706 1.00 0.00 N ATOM 832 CA ASP A 52 -16.837 -11.018 -6.963 1.00 0.00 C ATOM 833 C ASP A 52 -16.070 -9.712 -7.060 1.00 0.00 C ATOM 834 O ASP A 52 -14.983 -9.582 -6.499 1.00 0.00 O ATOM 835 CB ASP A 52 -17.870 -10.882 -5.833 1.00 0.00 C ATOM 836 CG ASP A 52 -18.631 -12.157 -5.542 1.00 0.00 C ATOM 837 OD1 ASP A 52 -19.512 -12.529 -6.341 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.356 -12.784 -4.496 1.00 0.00 O ATOM 0 H ASP A 52 -15.149 -11.878 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.351 -11.233 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.361 -10.559 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.580 -10.098 -6.096 1.00 0.00 H new ATOM 843 N PRO A 53 -16.630 -8.737 -7.779 1.00 0.00 N ATOM 844 CA PRO A 53 -16.124 -7.359 -7.794 1.00 0.00 C ATOM 845 C PRO A 53 -16.160 -6.726 -6.403 1.00 0.00 C ATOM 846 O PRO A 53 -15.460 -5.752 -6.130 1.00 0.00 O ATOM 847 CB PRO A 53 -17.095 -6.618 -8.721 1.00 0.00 C ATOM 848 CG PRO A 53 -17.780 -7.676 -9.515 1.00 0.00 C ATOM 849 CD PRO A 53 -17.788 -8.915 -8.662 1.00 0.00 C ATOM 0 HA PRO A 53 -15.085 -7.316 -8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.813 -6.032 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.563 -5.923 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.796 -7.374 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.257 -7.855 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.714 -9.004 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -17.696 -9.818 -9.266 1.00 0.00 H new ATOM 857 N GLN A 54 -16.986 -7.300 -5.528 1.00 0.00 N ATOM 858 CA GLN A 54 -17.181 -6.772 -4.183 1.00 0.00 C ATOM 859 C GLN A 54 -16.146 -7.338 -3.213 1.00 0.00 C ATOM 860 O GLN A 54 -16.190 -7.061 -2.017 1.00 0.00 O ATOM 861 CB GLN A 54 -18.588 -7.109 -3.682 1.00 0.00 C ATOM 862 CG GLN A 54 -19.703 -6.552 -4.555 1.00 0.00 C ATOM 863 CD GLN A 54 -19.687 -5.037 -4.635 1.00 0.00 C ATOM 864 OE1 GLN A 54 -19.263 -4.358 -3.701 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.152 -4.496 -5.750 1.00 0.00 N ATOM 0 H GLN A 54 -17.533 -8.136 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 54 -17.059 -5.690 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.692 -8.192 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.705 -6.722 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.612 -6.965 -5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.665 -6.880 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.495 -5.093 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.167 -3.482 -5.857 1.00 0.00 H new ATOM 874 N ARG A 55 -15.225 -8.138 -3.730 1.00 0.00 N ATOM 875 CA ARG A 55 -14.180 -8.718 -2.911 1.00 0.00 C ATOM 876 C ARG A 55 -13.009 -7.750 -2.804 1.00 0.00 C ATOM 877 O ARG A 55 -12.561 -7.202 -3.808 1.00 0.00 O ATOM 878 CB ARG A 55 -13.709 -10.052 -3.498 1.00 0.00 C ATOM 879 CG ARG A 55 -14.812 -11.094 -3.611 1.00 0.00 C ATOM 880 CD ARG A 55 -15.399 -11.441 -2.253 1.00 0.00 C ATOM 881 NE ARG A 55 -16.485 -12.420 -2.350 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.806 -13.273 -1.379 1.00 0.00 C ATOM 883 NH1 ARG A 55 -16.080 -13.334 -0.270 1.00 0.00 N ATOM 884 NH2 ARG A 55 -17.845 -14.082 -1.525 1.00 0.00 N ATOM 0 H ARG A 55 -15.183 -8.398 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.583 -8.905 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.286 -9.875 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.908 -10.450 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.601 -10.720 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.414 -11.996 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.613 -11.837 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.772 -10.534 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.028 -12.450 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.270 -12.725 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.332 -13.990 0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.399 -14.051 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.091 -14.735 -0.781 1.00 0.00 H new ATOM 898 N PRO A 56 -12.533 -7.510 -1.575 1.00 0.00 N ATOM 899 CA PRO A 56 -11.380 -6.640 -1.310 1.00 0.00 C ATOM 900 C PRO A 56 -10.182 -6.966 -2.195 1.00 0.00 C ATOM 901 O PRO A 56 -9.619 -8.060 -2.120 1.00 0.00 O ATOM 902 CB PRO A 56 -11.043 -6.931 0.153 1.00 0.00 C ATOM 903 CG PRO A 56 -12.322 -7.392 0.761 1.00 0.00 C ATOM 904 CD PRO A 56 -13.101 -8.068 -0.337 1.00 0.00 C ATOM 0 HA PRO A 56 -11.612 -5.595 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.270 -7.695 0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.666 -6.040 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.134 -8.082 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.881 -6.551 1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.986 -9.151 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.167 -7.857 -0.257 1.00 0.00 H new ATOM 912 N PHE A 57 -9.797 -6.011 -3.030 1.00 0.00 N ATOM 913 CA PHE A 57 -8.678 -6.201 -3.935 1.00 0.00 C ATOM 914 C PHE A 57 -7.489 -5.365 -3.480 1.00 0.00 C ATOM 915 O PHE A 57 -7.652 -4.262 -2.962 1.00 0.00 O ATOM 916 CB PHE A 57 -9.072 -5.839 -5.376 1.00 0.00 C ATOM 917 CG PHE A 57 -10.045 -6.808 -6.000 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.217 -6.366 -6.607 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.787 -8.170 -5.973 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.101 -7.267 -7.171 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.668 -9.070 -6.537 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.827 -8.619 -7.137 1.00 0.00 C ATOM 0 H PHE A 57 -10.245 -5.097 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.395 -7.253 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.511 -4.841 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.172 -5.796 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.438 -5.309 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.884 -8.532 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.007 -6.912 -7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.451 -10.128 -6.509 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.517 -9.323 -7.579 1.00 0.00 H new ATOM 932 N GLU A 58 -6.297 -5.903 -3.641 1.00 0.00 N ATOM 933 CA GLU A 58 -5.083 -5.195 -3.270 1.00 0.00 C ATOM 934 C GLU A 58 -4.235 -4.935 -4.502 1.00 0.00 C ATOM 935 O GLU A 58 -4.286 -5.693 -5.466 1.00 0.00 O ATOM 936 CB GLU A 58 -4.282 -6.014 -2.259 1.00 0.00 C ATOM 937 CG GLU A 58 -5.044 -6.330 -0.986 1.00 0.00 C ATOM 938 CD GLU A 58 -4.302 -7.298 -0.091 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.433 -6.847 0.684 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.589 -8.514 -0.158 1.00 0.00 O ATOM 0 H GLU A 58 -6.140 -6.833 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.360 -4.243 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.971 -6.948 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.374 -5.469 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.231 -5.406 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.016 -6.750 -1.243 1.00 0.00 H new ATOM 947 N ALA A 59 -3.471 -3.863 -4.479 1.00 0.00 N ATOM 948 CA ALA A 59 -2.560 -3.570 -5.568 1.00 0.00 C ATOM 949 C ALA A 59 -1.123 -3.594 -5.074 1.00 0.00 C ATOM 950 O ALA A 59 -0.781 -2.927 -4.094 1.00 0.00 O ATOM 951 CB ALA A 59 -2.894 -2.232 -6.205 1.00 0.00 C ATOM 0 H ALA A 59 -3.462 -3.181 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.673 -4.340 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.198 -2.033 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.911 -2.259 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.813 -1.443 -5.457 1.00 0.00 H new ATOM 957 N ARG A 60 -0.299 -4.389 -5.740 1.00 0.00 N ATOM 958 CA ARG A 60 1.103 -4.524 -5.393 1.00 0.00 C ATOM 959 C ARG A 60 1.965 -4.106 -6.579 1.00 0.00 C ATOM 960 O ARG A 60 2.063 -4.823 -7.576 1.00 0.00 O ATOM 961 CB ARG A 60 1.385 -5.971 -4.974 1.00 0.00 C ATOM 962 CG ARG A 60 2.820 -6.254 -4.560 1.00 0.00 C ATOM 963 CD ARG A 60 2.926 -7.618 -3.895 1.00 0.00 C ATOM 964 NE ARG A 60 4.308 -8.044 -3.690 1.00 0.00 N ATOM 965 CZ ARG A 60 4.813 -8.408 -2.509 1.00 0.00 C ATOM 966 NH1 ARG A 60 4.082 -8.304 -1.404 1.00 0.00 N ATOM 967 NH2 ARG A 60 6.056 -8.868 -2.435 1.00 0.00 N ATOM 0 H ARG A 60 -0.586 -4.958 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 60 1.348 -3.873 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.726 -6.228 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.125 -6.630 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.470 -6.218 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.165 -5.481 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.414 -7.589 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.410 -8.357 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 60 4.927 -8.065 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.129 -7.944 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.474 -8.584 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.623 -8.943 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.444 -9.147 -1.534 1.00 0.00 H new ATOM 981 N LEU A 61 2.557 -2.928 -6.471 1.00 0.00 N ATOM 982 CA LEU A 61 3.319 -2.339 -7.563 1.00 0.00 C ATOM 983 C LEU A 61 4.816 -2.506 -7.334 1.00 0.00 C ATOM 984 O LEU A 61 5.327 -2.200 -6.256 1.00 0.00 O ATOM 985 CB LEU A 61 2.982 -0.852 -7.699 1.00 0.00 C ATOM 986 CG LEU A 61 1.499 -0.527 -7.896 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.289 0.976 -7.962 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.966 -1.192 -9.154 1.00 0.00 C ATOM 0 H LEU A 61 2.524 -2.354 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 61 3.048 -2.857 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.334 -0.335 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.540 -0.447 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 61 0.947 -0.918 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.229 1.190 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.631 1.432 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.856 1.386 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.089 -0.948 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.523 -0.833 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.082 -2.273 -9.071 1.00 0.00 H new ATOM 1000 N TYR A 62 5.511 -2.995 -8.354 1.00 0.00 N ATOM 1001 CA TYR A 62 6.953 -3.189 -8.281 1.00 0.00 C ATOM 1002 C TYR A 62 7.679 -2.100 -9.054 1.00 0.00 C ATOM 1003 O TYR A 62 7.873 -2.213 -10.266 1.00 0.00 O ATOM 1004 CB TYR A 62 7.353 -4.551 -8.849 1.00 0.00 C ATOM 1005 CG TYR A 62 6.752 -5.728 -8.123 1.00 0.00 C ATOM 1006 CD1 TYR A 62 5.419 -6.070 -8.298 1.00 0.00 C ATOM 1007 CD2 TYR A 62 7.524 -6.507 -7.271 1.00 0.00 C ATOM 1008 CE1 TYR A 62 4.871 -7.149 -7.646 1.00 0.00 C ATOM 1009 CE2 TYR A 62 6.981 -7.592 -6.613 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.654 -7.907 -6.806 1.00 0.00 C ATOM 1011 OH TYR A 62 5.106 -8.989 -6.162 1.00 0.00 O ATOM 0 H TYR A 62 5.096 -3.266 -9.246 1.00 0.00 H new ATOM 0 HA TYR A 62 7.236 -3.142 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.056 -4.596 -9.897 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.439 -4.638 -8.821 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.801 -5.479 -8.958 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.565 -6.260 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.831 -7.401 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.592 -8.189 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 62 4.258 -9.230 -6.591 1.00 0.00 H new ATOM 1021 N LEU A 63 8.062 -1.044 -8.356 1.00 0.00 N ATOM 1022 CA LEU A 63 8.806 0.051 -8.970 1.00 0.00 C ATOM 1023 C LEU A 63 10.298 -0.187 -8.798 1.00 0.00 C ATOM 1024 O LEU A 63 11.135 0.559 -9.310 1.00 0.00 O ATOM 1025 CB LEU A 63 8.409 1.398 -8.350 1.00 0.00 C ATOM 1026 CG LEU A 63 7.084 2.008 -8.836 1.00 0.00 C ATOM 1027 CD1 LEU A 63 5.905 1.091 -8.549 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.863 3.364 -8.185 1.00 0.00 C ATOM 0 H LEU A 63 7.871 -0.919 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 63 8.565 0.084 -10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.352 1.273 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.207 2.114 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 63 7.152 2.133 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.987 1.556 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.052 0.139 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.830 0.920 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.922 3.787 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.826 3.246 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.682 4.032 -8.449 1.00 0.00 H new ATOM 1040 N GLY A 64 10.609 -1.229 -8.047 1.00 0.00 N ATOM 1041 CA GLY A 64 11.974 -1.632 -7.826 1.00 0.00 C ATOM 1042 C GLY A 64 12.036 -2.800 -6.869 1.00 0.00 C ATOM 1043 O GLY A 64 11.008 -3.210 -6.332 1.00 0.00 O ATOM 0 H GLY A 64 9.919 -1.814 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.436 -1.907 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.545 -0.795 -7.424 1.00 0.00 H new ATOM 1047 N LEU A 65 13.228 -3.328 -6.641 1.00 0.00 N ATOM 1048 CA LEU A 65 13.402 -4.426 -5.695 1.00 0.00 C ATOM 1049 C LEU A 65 13.183 -3.935 -4.268 1.00 0.00 C ATOM 1050 O LEU A 65 12.730 -4.682 -3.402 1.00 0.00 O ATOM 1051 CB LEU A 65 14.795 -5.059 -5.824 1.00 0.00 C ATOM 1052 CG LEU A 65 14.976 -6.047 -6.986 1.00 0.00 C ATOM 1053 CD1 LEU A 65 14.880 -5.346 -8.335 1.00 0.00 C ATOM 1054 CD2 LEU A 65 16.304 -6.776 -6.860 1.00 0.00 C ATOM 0 H LEU A 65 14.088 -3.018 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 65 12.660 -5.189 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.528 -4.260 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.026 -5.576 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 65 14.167 -6.776 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.013 -6.075 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.901 -4.876 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.657 -4.585 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.417 -7.472 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.119 -6.053 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.329 -7.326 -5.919 1.00 0.00 H new ATOM 1066 N ASP A 66 13.498 -2.668 -4.038 1.00 0.00 N ATOM 1067 CA ASP A 66 13.326 -2.062 -2.723 1.00 0.00 C ATOM 1068 C ASP A 66 12.204 -1.039 -2.743 1.00 0.00 C ATOM 1069 O ASP A 66 11.953 -0.354 -1.749 1.00 0.00 O ATOM 1070 CB ASP A 66 14.622 -1.396 -2.260 1.00 0.00 C ATOM 1071 CG ASP A 66 15.684 -2.401 -1.875 1.00 0.00 C ATOM 1072 OD1 ASP A 66 15.780 -2.738 -0.674 1.00 0.00 O ATOM 1073 OD2 ASP A 66 16.431 -2.855 -2.765 1.00 0.00 O ATOM 0 H ASP A 66 13.875 -2.038 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 66 13.067 -2.856 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.003 -0.757 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.411 -0.751 -1.407 1.00 0.00 H new ATOM 1078 N VAL A 67 11.537 -0.930 -3.881 1.00 0.00 N ATOM 1079 CA VAL A 67 10.438 0.010 -4.029 1.00 0.00 C ATOM 1080 C VAL A 67 9.132 -0.747 -4.246 1.00 0.00 C ATOM 1081 O VAL A 67 8.723 -0.996 -5.382 1.00 0.00 O ATOM 1082 CB VAL A 67 10.668 0.990 -5.200 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.595 2.069 -5.221 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.054 1.615 -5.112 1.00 0.00 C ATOM 0 H VAL A 67 11.738 -1.481 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 67 10.382 0.594 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 67 10.603 0.427 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.778 2.748 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.615 1.606 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.622 2.628 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.197 2.302 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.149 2.160 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.810 0.831 -5.155 1.00 0.00 H new ATOM 1094 N LEU A 68 8.499 -1.135 -3.151 1.00 0.00 N ATOM 1095 CA LEU A 68 7.256 -1.879 -3.212 1.00 0.00 C ATOM 1096 C LEU A 68 6.094 -0.993 -2.786 1.00 0.00 C ATOM 1097 O LEU A 68 6.153 -0.332 -1.749 1.00 0.00 O ATOM 1098 CB LEU A 68 7.333 -3.119 -2.316 1.00 0.00 C ATOM 1099 CG LEU A 68 6.124 -4.054 -2.393 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.994 -4.654 -3.784 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.238 -5.150 -1.346 1.00 0.00 C ATOM 0 H LEU A 68 8.830 -0.945 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 68 7.093 -2.203 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.227 -3.684 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.456 -2.794 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 68 5.225 -3.472 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.128 -5.315 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.867 -3.855 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.893 -5.223 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.371 -5.808 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.146 -5.727 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.279 -4.702 -0.353 1.00 0.00 H new ATOM 1113 N ILE A 69 5.052 -0.967 -3.599 1.00 0.00 N ATOM 1114 CA ILE A 69 3.870 -0.183 -3.290 1.00 0.00 C ATOM 1115 C ILE A 69 2.676 -1.091 -3.034 1.00 0.00 C ATOM 1116 O ILE A 69 2.324 -1.917 -3.875 1.00 0.00 O ATOM 1117 CB ILE A 69 3.528 0.799 -4.432 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.644 1.832 -4.599 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.196 1.490 -4.170 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.369 2.859 -5.676 1.00 0.00 C ATOM 0 H ILE A 69 5.001 -1.481 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 69 4.090 0.392 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 69 3.440 0.230 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.796 2.346 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.574 1.314 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.976 2.177 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.406 0.743 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.252 2.046 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.204 3.557 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.247 2.356 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.457 3.405 -5.434 1.00 0.00 H new ATOM 1132 N ARG A 70 2.076 -0.954 -1.863 1.00 0.00 N ATOM 1133 CA ARG A 70 0.842 -1.661 -1.557 1.00 0.00 C ATOM 1134 C ARG A 70 -0.274 -0.652 -1.337 1.00 0.00 C ATOM 1135 O ARG A 70 -0.040 0.438 -0.814 1.00 0.00 O ATOM 1136 CB ARG A 70 0.990 -2.546 -0.315 1.00 0.00 C ATOM 1137 CG ARG A 70 1.113 -1.768 0.986 1.00 0.00 C ATOM 1138 CD ARG A 70 0.787 -2.639 2.187 1.00 0.00 C ATOM 1139 NE ARG A 70 0.722 -1.865 3.427 1.00 0.00 N ATOM 1140 CZ ARG A 70 -0.406 -1.350 3.921 1.00 0.00 C ATOM 1141 NH1 ARG A 70 -1.543 -1.474 3.249 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -0.397 -0.703 5.079 1.00 0.00 N ATOM 0 H ARG A 70 2.422 -0.361 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 70 0.603 -2.309 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.128 -3.210 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.871 -3.177 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.126 -1.377 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.441 -0.910 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.167 -3.140 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.543 -3.418 2.285 1.00 0.00 H new ATOM 0 HE ARG A 70 1.588 -1.710 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.556 -1.963 2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.405 -1.080 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.475 -0.597 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.262 -0.312 5.451 1.00 0.00 H new ATOM 1156 N MET A 71 -1.475 -1.004 -1.754 1.00 0.00 N ATOM 1157 CA MET A 71 -2.630 -0.141 -1.563 1.00 0.00 C ATOM 1158 C MET A 71 -3.912 -0.956 -1.634 1.00 0.00 C ATOM 1159 O MET A 71 -4.029 -1.876 -2.448 1.00 0.00 O ATOM 1160 CB MET A 71 -2.632 0.984 -2.607 1.00 0.00 C ATOM 1161 CG MET A 71 -2.613 0.486 -4.040 1.00 0.00 C ATOM 1162 SD MET A 71 -2.140 1.762 -5.226 1.00 0.00 S ATOM 1163 CE MET A 71 -3.397 2.998 -4.925 1.00 0.00 C ATOM 0 H MET A 71 -1.679 -1.883 -2.229 1.00 0.00 H new ATOM 0 HA MET A 71 -2.572 0.315 -0.575 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.516 1.604 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.764 1.622 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.918 -0.350 -4.119 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.601 0.105 -4.299 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.719 3.428 -5.873 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.250 2.536 -4.428 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.989 3.785 -4.290 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.856 -0.630 -0.767 1.00 0.00 N ATOM 1174 CA GLU A 72 -6.109 -1.366 -0.692 1.00 0.00 C ATOM 1175 C GLU A 72 -7.163 -0.705 -1.569 1.00 0.00 C ATOM 1176 O GLU A 72 -7.472 0.477 -1.404 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.615 -1.458 0.753 1.00 0.00 C ATOM 1178 CG GLU A 72 -5.811 -2.399 1.646 1.00 0.00 C ATOM 1179 CD GLU A 72 -4.431 -1.878 2.003 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -3.450 -2.255 1.325 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -4.314 -1.114 2.987 1.00 0.00 O ATOM 0 H GLU A 72 -4.779 0.141 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.924 -2.378 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.603 -0.461 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.654 -1.788 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.370 -2.578 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.707 -3.361 1.143 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.712 -1.471 -2.495 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.670 -0.950 -3.457 1.00 0.00 C ATOM 1190 C ILE A 73 -9.931 -1.809 -3.495 1.00 0.00 C ATOM 1191 O ILE A 73 -9.997 -2.869 -2.870 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.057 -0.880 -4.876 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.489 -2.247 -5.273 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.979 0.196 -4.942 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.892 -2.292 -6.661 1.00 0.00 C ATOM 0 H ILE A 73 -7.509 -2.465 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.933 0.057 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.842 -0.614 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.724 -2.533 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.283 -2.991 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.560 0.230 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.416 1.164 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.189 -0.036 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.513 -3.294 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.657 -2.039 -7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.074 -1.575 -6.729 1.00 0.00 H new ATOM 1207 N SER A 74 -10.938 -1.336 -4.205 1.00 0.00 N ATOM 1208 CA SER A 74 -12.161 -2.097 -4.396 1.00 0.00 C ATOM 1209 C SER A 74 -12.644 -1.913 -5.826 1.00 0.00 C ATOM 1210 O SER A 74 -12.629 -0.801 -6.345 1.00 0.00 O ATOM 1211 CB SER A 74 -13.237 -1.642 -3.407 1.00 0.00 C ATOM 1212 OG SER A 74 -14.319 -2.554 -3.366 1.00 0.00 O ATOM 0 H SER A 74 -10.934 -0.424 -4.662 1.00 0.00 H new ATOM 0 HA SER A 74 -11.960 -3.153 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.802 -1.546 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.601 -0.655 -3.692 1.00 0.00 H new ATOM 0 HG SER A 74 -14.989 -2.238 -2.725 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.055 -2.991 -6.471 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.453 -2.920 -7.868 1.00 0.00 C ATOM 1220 C LEU A 75 -14.786 -2.191 -8.019 1.00 0.00 C ATOM 1221 O LEU A 75 -15.830 -2.678 -7.584 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.526 -4.322 -8.475 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.975 -4.379 -9.932 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.094 -3.504 -10.810 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -13.960 -5.811 -10.433 1.00 0.00 C ATOM 0 H LEU A 75 -13.122 -3.920 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.698 -2.351 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.543 -4.786 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.211 -4.924 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.994 -3.997 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.436 -3.563 -11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.151 -2.471 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.062 -3.850 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.283 -5.836 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.950 -6.213 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.637 -6.415 -9.829 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.736 -1.015 -8.639 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.918 -0.184 -8.809 1.00 0.00 C ATOM 1239 C ALA A 76 -16.671 -0.563 -10.076 1.00 0.00 C ATOM 1240 O ALA A 76 -17.860 -0.891 -10.028 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.530 1.288 -8.838 1.00 0.00 C ATOM 0 H ALA A 76 -13.883 -0.617 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.580 -0.353 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.425 1.898 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.040 1.554 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.847 1.468 -9.668 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.976 -0.530 -11.206 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.589 -0.868 -12.481 1.00 0.00 C ATOM 1249 C TRP A 77 -15.623 -1.658 -13.355 1.00 0.00 C ATOM 1250 O TRP A 77 -14.419 -1.405 -13.352 1.00 0.00 O ATOM 1251 CB TRP A 77 -17.068 0.393 -13.218 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.989 1.399 -13.519 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.537 2.395 -12.696 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.242 1.523 -14.741 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.556 3.122 -13.325 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.354 2.605 -14.578 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -15.231 0.819 -15.956 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.473 3.003 -15.580 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.354 1.219 -16.946 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.483 2.299 -16.752 1.00 0.00 C ATOM 0 H TRP A 77 -14.991 -0.273 -11.264 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.458 -1.492 -12.275 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.536 0.093 -14.155 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.838 0.877 -12.617 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.900 2.582 -11.696 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.059 3.917 -12.925 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.895 -0.018 -16.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.805 3.839 -15.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -14.340 0.689 -17.887 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.806 2.581 -17.544 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.158 -2.624 -14.082 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.372 -3.433 -14.997 1.00 0.00 C ATOM 1273 C ALA A 78 -16.128 -3.626 -16.302 1.00 0.00 C ATOM 1274 O ALA A 78 -17.241 -4.152 -16.308 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.051 -4.779 -14.365 1.00 0.00 C ATOM 0 H ALA A 78 -17.148 -2.869 -14.055 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.435 -2.918 -15.209 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.462 -5.376 -15.061 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.483 -4.624 -13.448 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.978 -5.302 -14.133 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.537 -3.183 -17.398 1.00 0.00 N ATOM 1282 CA ARG A 79 -16.165 -3.305 -18.702 1.00 0.00 C ATOM 1283 C ARG A 79 -15.122 -3.543 -19.786 1.00 0.00 C ATOM 1284 O ARG A 79 -14.067 -2.908 -19.779 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.977 -2.050 -19.033 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.510 -2.061 -20.451 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.206 -0.770 -20.827 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.386 -0.675 -22.273 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.402 -0.050 -22.868 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.397 0.455 -22.146 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -19.435 0.036 -24.192 1.00 0.00 N ATOM 0 H ARG A 79 -14.621 -2.735 -17.411 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.838 -4.162 -18.667 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.811 -1.966 -18.336 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.352 -1.169 -18.890 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.686 -2.239 -21.142 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.207 -2.891 -20.566 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.176 -0.718 -20.332 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.621 0.079 -20.473 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.686 -1.117 -22.869 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.386 0.366 -21.130 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.171 0.932 -22.608 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -18.686 -0.375 -24.749 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.210 0.513 -24.653 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.436 -4.451 -20.716 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.539 -4.790 -21.824 1.00 0.00 C ATOM 1307 C ASP A 80 -13.188 -5.270 -21.300 1.00 0.00 C ATOM 1308 O ASP A 80 -13.055 -6.401 -20.826 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.343 -3.595 -22.776 1.00 0.00 C ATOM 1310 CG ASP A 80 -15.501 -3.393 -23.738 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -15.390 -3.825 -24.903 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -16.523 -2.789 -23.345 1.00 0.00 O ATOM 0 H ASP A 80 -16.315 -4.969 -20.722 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.006 -5.599 -22.386 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.208 -2.688 -22.186 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.427 -3.742 -23.348 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.202 -4.392 -21.370 1.00 0.00 N ATOM 1318 CA GLY A 81 -10.893 -4.678 -20.832 1.00 0.00 C ATOM 1319 C GLY A 81 -10.383 -3.511 -20.024 1.00 0.00 C ATOM 1320 O GLY A 81 -9.194 -3.213 -20.030 1.00 0.00 O ATOM 0 H GLY A 81 -12.289 -3.470 -21.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.938 -5.569 -20.205 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.200 -4.895 -21.645 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.306 -2.831 -19.353 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.977 -1.690 -18.511 1.00 0.00 C ATOM 1326 C LEU A 82 -11.661 -1.833 -17.159 1.00 0.00 C ATOM 1327 O LEU A 82 -12.878 -2.021 -17.090 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.422 -0.382 -19.176 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.817 -0.105 -20.554 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.327 1.220 -21.101 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.301 -0.105 -20.478 1.00 0.00 C ATOM 0 H LEU A 82 -12.301 -3.056 -19.378 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.896 -1.662 -18.372 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.508 -0.394 -19.271 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.169 0.446 -18.514 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.126 -0.899 -21.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.887 1.402 -22.082 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.413 1.183 -21.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.047 2.026 -20.422 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.887 0.094 -21.467 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.971 0.669 -19.785 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.954 -1.077 -20.128 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.886 -1.756 -16.091 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.425 -1.932 -14.753 1.00 0.00 C ATOM 1345 C LEU A 83 -10.987 -0.799 -13.840 1.00 0.00 C ATOM 1346 O LEU A 83 -9.794 -0.592 -13.611 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.988 -3.273 -14.157 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.387 -4.514 -14.961 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.317 -4.867 -15.984 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.652 -5.686 -14.032 1.00 0.00 C ATOM 0 H LEU A 83 -9.883 -1.573 -16.124 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.512 -1.922 -14.833 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.904 -3.266 -14.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.409 -3.360 -13.155 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.306 -4.289 -15.502 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.624 -5.752 -16.542 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.182 -4.033 -16.672 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.377 -5.070 -15.472 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.934 -6.560 -14.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.751 -5.909 -13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.462 -5.432 -13.348 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.962 -0.072 -13.323 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.678 1.027 -12.431 1.00 0.00 C ATOM 1364 C GLY A 84 -11.907 0.652 -10.984 1.00 0.00 C ATOM 1365 O GLY A 84 -13.019 0.281 -10.598 1.00 0.00 O ATOM 0 H GLY A 84 -12.953 -0.226 -13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.644 1.345 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.309 1.877 -12.690 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.854 0.728 -10.188 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.938 0.419 -8.768 1.00 0.00 C ATOM 1371 C PHE A 85 -10.903 1.704 -7.953 1.00 0.00 C ATOM 1372 O PHE A 85 -10.167 2.625 -8.286 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.769 -0.476 -8.339 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.732 -1.825 -9.000 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.384 -1.956 -10.333 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -10.033 -2.966 -8.276 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.339 -3.199 -10.932 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.990 -4.211 -8.870 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.643 -4.327 -10.200 1.00 0.00 C ATOM 0 H PHE A 85 -9.924 1.003 -10.503 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.876 -0.107 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.835 0.043 -8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.815 -0.617 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.145 -1.076 -10.911 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.305 -2.881 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.066 -3.288 -11.973 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.228 -5.093 -8.294 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.610 -5.300 -10.667 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.699 1.764 -6.898 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.650 2.886 -5.977 1.00 0.00 C ATOM 1391 C GLU A 86 -10.557 2.633 -4.945 1.00 0.00 C ATOM 1392 O GLU A 86 -10.351 1.495 -4.515 1.00 0.00 O ATOM 1393 CB GLU A 86 -13.002 3.093 -5.278 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.408 1.955 -4.354 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.642 2.280 -3.537 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.503 2.901 -2.462 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.757 1.922 -3.968 1.00 0.00 O ATOM 0 H GLU A 86 -12.386 1.049 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.428 3.793 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.962 4.017 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.774 3.223 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.595 1.060 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.582 1.725 -3.681 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.842 3.675 -4.578 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.786 3.547 -3.594 1.00 0.00 C ATOM 1406 C CYS A 87 -9.347 3.694 -2.183 1.00 0.00 C ATOM 1407 O CYS A 87 -9.726 4.787 -1.764 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.695 4.583 -3.868 1.00 0.00 C ATOM 1409 SG CYS A 87 -6.589 4.136 -5.225 1.00 0.00 S ATOM 0 H CYS A 87 -9.971 4.618 -4.944 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.345 2.553 -3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.165 5.540 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.105 4.724 -2.962 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.069 5.213 -5.734 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.410 2.576 -1.464 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.955 2.561 -0.112 1.00 0.00 C ATOM 1417 C GLN A 88 -8.907 3.022 0.895 1.00 0.00 C ATOM 1418 O GLN A 88 -9.163 3.902 1.719 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.441 1.156 0.260 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.550 0.629 -0.636 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.146 -0.671 -0.128 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.599 -1.795 -0.566 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -13.091 -0.666 0.657 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.089 1.667 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.801 3.248 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.597 0.468 0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.794 1.166 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.337 1.379 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.157 0.475 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.487 0.219 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.480 -1.547 0.993 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.726 2.429 0.819 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.642 2.776 1.723 1.00 0.00 C ATOM 1434 C HIS A 89 -5.322 2.853 0.970 1.00 0.00 C ATOM 1435 O HIS A 89 -4.696 1.830 0.687 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.536 1.756 2.872 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.494 2.088 3.913 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.808 2.373 5.226 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.140 2.155 3.835 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.696 2.607 5.903 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.668 2.478 5.086 1.00 0.00 N ATOM 0 H HIS A 89 -7.494 1.704 0.140 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.861 3.755 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.507 1.677 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.311 0.776 2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.542 1.986 2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.639 2.862 6.951 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.687 2.598 5.340 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.925 4.058 0.617 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.588 4.286 0.110 1.00 0.00 C ATOM 1452 C ILE A 90 -2.710 4.695 1.276 1.00 0.00 C ATOM 1453 O ILE A 90 -2.837 5.801 1.804 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.535 5.382 -0.971 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.625 5.160 -2.021 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -2.163 5.381 -1.630 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.667 6.234 -3.085 1.00 0.00 C ATOM 0 H ILE A 90 -5.508 4.893 0.672 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.241 3.364 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.709 6.349 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.467 4.193 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.594 5.115 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.126 6.157 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.398 5.576 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.981 4.410 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.463 6.012 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.856 7.201 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.712 6.265 -3.609 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.850 3.788 1.701 1.00 0.00 N ATOM 1470 CA ASP A 91 -1.064 4.002 2.905 1.00 0.00 C ATOM 1471 C ASP A 91 -0.007 5.078 2.683 1.00 0.00 C ATOM 1472 O ASP A 91 0.348 5.387 1.545 1.00 0.00 O ATOM 1473 CB ASP A 91 -0.407 2.699 3.353 1.00 0.00 C ATOM 1474 CG ASP A 91 -0.024 2.738 4.815 1.00 0.00 C ATOM 1475 OD1 ASP A 91 -0.865 2.352 5.655 1.00 0.00 O ATOM 1476 OD2 ASP A 91 1.098 3.181 5.131 1.00 0.00 O ATOM 0 H ASP A 91 -1.677 2.898 1.233 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.738 4.343 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.091 1.868 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.481 2.513 2.749 1.00 0.00 H new ATOM 1481 N LEU A 92 0.498 5.638 3.773 1.00 0.00 N ATOM 1482 CA LEU A 92 1.488 6.703 3.703 1.00 0.00 C ATOM 1483 C LEU A 92 2.761 6.197 3.039 1.00 0.00 C ATOM 1484 O LEU A 92 3.412 6.920 2.285 1.00 0.00 O ATOM 1485 CB LEU A 92 1.809 7.250 5.100 1.00 0.00 C ATOM 1486 CG LEU A 92 0.678 8.020 5.798 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.437 7.087 6.247 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.222 8.799 6.985 1.00 0.00 C ATOM 0 H LEU A 92 0.236 5.370 4.722 1.00 0.00 H new ATOM 0 HA LEU A 92 1.070 7.513 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.100 6.415 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.675 7.908 5.021 1.00 0.00 H new ATOM 0 HG LEU A 92 0.258 8.720 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.220 7.665 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.853 6.574 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.037 6.352 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.409 9.339 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.674 8.108 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.974 9.508 6.641 1.00 0.00 H new ATOM 1500 N ASP A 93 3.096 4.941 3.311 1.00 0.00 N ATOM 1501 CA ASP A 93 4.262 4.308 2.704 1.00 0.00 C ATOM 1502 C ASP A 93 4.059 4.186 1.199 1.00 0.00 C ATOM 1503 O ASP A 93 4.986 4.377 0.409 1.00 0.00 O ATOM 1504 CB ASP A 93 4.490 2.923 3.311 1.00 0.00 C ATOM 1505 CG ASP A 93 5.848 2.349 2.953 1.00 0.00 C ATOM 1506 OD1 ASP A 93 6.812 2.590 3.716 1.00 0.00 O ATOM 1507 OD2 ASP A 93 5.961 1.660 1.924 1.00 0.00 O ATOM 0 H ASP A 93 2.576 4.339 3.949 1.00 0.00 H new ATOM 0 HA ASP A 93 5.139 4.926 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.400 2.986 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.710 2.245 2.965 1.00 0.00 H new ATOM 1512 N SER A 94 2.820 3.891 0.820 1.00 0.00 N ATOM 1513 CA SER A 94 2.437 3.782 -0.578 1.00 0.00 C ATOM 1514 C SER A 94 2.604 5.127 -1.280 1.00 0.00 C ATOM 1515 O SER A 94 3.272 5.223 -2.315 1.00 0.00 O ATOM 1516 CB SER A 94 0.985 3.308 -0.673 1.00 0.00 C ATOM 1517 OG SER A 94 0.578 3.128 -2.015 1.00 0.00 O ATOM 0 H SER A 94 2.056 3.721 1.474 1.00 0.00 H new ATOM 0 HA SER A 94 3.083 3.056 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.873 2.369 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.333 4.036 -0.190 1.00 0.00 H new ATOM 0 HG SER A 94 0.296 2.199 -2.149 1.00 0.00 H new ATOM 1523 N ILE A 95 2.013 6.170 -0.693 1.00 0.00 N ATOM 1524 CA ILE A 95 2.098 7.515 -1.249 1.00 0.00 C ATOM 1525 C ILE A 95 3.547 7.955 -1.367 1.00 0.00 C ATOM 1526 O ILE A 95 3.929 8.557 -2.359 1.00 0.00 O ATOM 1527 CB ILE A 95 1.333 8.551 -0.398 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.131 8.130 -0.243 1.00 0.00 C ATOM 1529 CG2 ILE A 95 1.427 9.938 -1.037 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -0.939 9.042 0.657 1.00 0.00 C ATOM 0 H ILE A 95 1.471 6.105 0.168 1.00 0.00 H new ATOM 0 HA ILE A 95 1.636 7.471 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 95 1.788 8.596 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.597 8.102 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.167 7.116 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.883 10.658 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.473 10.237 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.992 9.909 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.965 8.678 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.499 9.052 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.935 10.053 0.249 1.00 0.00 H new ATOM 1542 N SER A 96 4.352 7.627 -0.364 1.00 0.00 N ATOM 1543 CA SER A 96 5.756 8.015 -0.356 1.00 0.00 C ATOM 1544 C SER A 96 6.478 7.511 -1.609 1.00 0.00 C ATOM 1545 O SER A 96 7.078 8.297 -2.342 1.00 0.00 O ATOM 1546 CB SER A 96 6.445 7.487 0.904 1.00 0.00 C ATOM 1547 OG SER A 96 5.840 8.008 2.078 1.00 0.00 O ATOM 0 H SER A 96 4.056 7.094 0.454 1.00 0.00 H new ATOM 0 HA SER A 96 5.805 9.104 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.396 6.398 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.501 7.758 0.885 1.00 0.00 H new ATOM 0 HG SER A 96 5.042 7.483 2.295 1.00 0.00 H new ATOM 1553 N HIS A 97 6.380 6.211 -1.877 1.00 0.00 N ATOM 1554 CA HIS A 97 7.092 5.614 -3.003 1.00 0.00 C ATOM 1555 C HIS A 97 6.557 6.112 -4.339 1.00 0.00 C ATOM 1556 O HIS A 97 7.334 6.479 -5.225 1.00 0.00 O ATOM 1557 CB HIS A 97 7.029 4.086 -2.950 1.00 0.00 C ATOM 1558 CG HIS A 97 8.046 3.475 -2.039 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.400 3.696 -2.175 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.907 2.638 -0.986 1.00 0.00 C ATOM 1561 CE1 HIS A 97 10.050 3.020 -1.249 1.00 0.00 C ATOM 1562 NE2 HIS A 97 9.169 2.370 -0.516 1.00 0.00 N ATOM 0 H HIS A 97 5.819 5.555 -1.334 1.00 0.00 H new ATOM 0 HA HIS A 97 8.133 5.925 -2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.034 3.783 -2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.170 3.690 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.979 2.253 -0.590 1.00 0.00 H new ATOM 0 HE1 HIS A 97 11.121 3.002 -1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.389 1.764 0.275 1.00 0.00 H new ATOM 1571 N LEU A 98 5.238 6.130 -4.485 1.00 0.00 N ATOM 1572 CA LEU A 98 4.615 6.567 -5.732 1.00 0.00 C ATOM 1573 C LEU A 98 4.939 8.032 -6.018 1.00 0.00 C ATOM 1574 O LEU A 98 5.338 8.388 -7.125 1.00 0.00 O ATOM 1575 CB LEU A 98 3.097 6.370 -5.665 1.00 0.00 C ATOM 1576 CG LEU A 98 2.330 6.725 -6.943 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.761 5.831 -8.097 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.830 6.610 -6.709 1.00 0.00 C ATOM 0 H LEU A 98 4.579 5.848 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 98 5.017 5.960 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.894 5.328 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.705 6.974 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 98 2.562 7.757 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.204 6.101 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.828 5.961 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.561 4.790 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.298 6.865 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.584 5.588 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.532 7.294 -5.914 1.00 0.00 H new ATOM 1590 N ARG A 99 4.775 8.865 -5.000 1.00 0.00 N ATOM 1591 CA ARG A 99 5.028 10.297 -5.103 1.00 0.00 C ATOM 1592 C ARG A 99 6.470 10.569 -5.521 1.00 0.00 C ATOM 1593 O ARG A 99 6.716 11.394 -6.399 1.00 0.00 O ATOM 1594 CB ARG A 99 4.718 10.966 -3.759 1.00 0.00 C ATOM 1595 CG ARG A 99 5.031 12.448 -3.697 1.00 0.00 C ATOM 1596 CD ARG A 99 4.131 13.258 -4.611 1.00 0.00 C ATOM 1597 NE ARG A 99 2.714 13.155 -4.258 1.00 0.00 N ATOM 1598 CZ ARG A 99 1.787 14.005 -4.703 1.00 0.00 C ATOM 1599 NH1 ARG A 99 2.139 15.003 -5.498 1.00 0.00 N ATOM 1600 NH2 ARG A 99 0.513 13.863 -4.348 1.00 0.00 N ATOM 0 H ARG A 99 4.462 8.567 -4.076 1.00 0.00 H new ATOM 0 HA ARG A 99 4.378 10.716 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.661 10.823 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.282 10.457 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.917 12.800 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.072 12.611 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.433 14.305 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.269 12.922 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 99 2.421 12.397 -3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.116 15.120 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.434 15.655 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.238 13.099 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.189 14.518 -4.693 1.00 0.00 H new ATOM 1614 N ARG A 100 7.410 9.856 -4.905 1.00 0.00 N ATOM 1615 CA ARG A 100 8.826 10.010 -5.230 1.00 0.00 C ATOM 1616 C ARG A 100 9.073 9.805 -6.721 1.00 0.00 C ATOM 1617 O ARG A 100 9.699 10.643 -7.369 1.00 0.00 O ATOM 1618 CB ARG A 100 9.678 9.024 -4.429 1.00 0.00 C ATOM 1619 CG ARG A 100 9.829 9.364 -2.952 1.00 0.00 C ATOM 1620 CD ARG A 100 10.777 10.533 -2.724 1.00 0.00 C ATOM 1621 NE ARG A 100 10.140 11.839 -2.903 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.414 12.902 -2.146 1.00 0.00 C ATOM 1623 NH1 ARG A 100 11.301 12.808 -1.162 1.00 0.00 N ATOM 1624 NH2 ARG A 100 9.806 14.055 -2.370 1.00 0.00 N ATOM 0 H ARG A 100 7.217 9.166 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 100 9.114 11.027 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.237 8.031 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.669 8.973 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.851 9.605 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.198 8.490 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.184 10.470 -1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.618 10.449 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 100 9.449 11.941 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.774 11.922 -0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.510 13.622 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.124 14.134 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.019 14.865 -1.788 1.00 0.00 H new ATOM 1638 N LEU A 101 8.571 8.701 -7.269 1.00 0.00 N ATOM 1639 CA LEU A 101 8.779 8.403 -8.682 1.00 0.00 C ATOM 1640 C LEU A 101 8.093 9.452 -9.551 1.00 0.00 C ATOM 1641 O LEU A 101 8.648 9.885 -10.560 1.00 0.00 O ATOM 1642 CB LEU A 101 8.260 7.011 -9.044 1.00 0.00 C ATOM 1643 CG LEU A 101 8.605 6.562 -10.468 1.00 0.00 C ATOM 1644 CD1 LEU A 101 10.107 6.394 -10.623 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.884 5.275 -10.825 1.00 0.00 C ATOM 0 H LEU A 101 8.023 8.006 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 101 9.853 8.424 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.669 6.288 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.177 6.997 -8.923 1.00 0.00 H new ATOM 0 HG LEU A 101 8.269 7.337 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.334 6.075 -11.640 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.602 7.344 -10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.464 5.642 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.147 4.980 -11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.179 4.488 -10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.807 5.431 -10.760 1.00 0.00 H new ATOM 1657 N VAL A 102 6.891 9.858 -9.148 1.00 0.00 N ATOM 1658 CA VAL A 102 6.151 10.901 -9.853 1.00 0.00 C ATOM 1659 C VAL A 102 7.007 12.159 -10.003 1.00 0.00 C ATOM 1660 O VAL A 102 7.139 12.703 -11.096 1.00 0.00 O ATOM 1661 CB VAL A 102 4.829 11.252 -9.124 1.00 0.00 C ATOM 1662 CG1 VAL A 102 4.242 12.554 -9.646 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.816 10.129 -9.286 1.00 0.00 C ATOM 0 H VAL A 102 6.408 9.479 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 102 5.904 10.514 -10.841 1.00 0.00 H new ATOM 0 HB VAL A 102 5.058 11.377 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.315 12.774 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.953 13.364 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.036 12.459 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.894 10.393 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.606 9.978 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.220 9.210 -8.862 1.00 0.00 H new ATOM 1673 N GLU A 103 7.609 12.590 -8.908 1.00 0.00 N ATOM 1674 CA GLU A 103 8.427 13.794 -8.904 1.00 0.00 C ATOM 1675 C GLU A 103 9.665 13.629 -9.782 1.00 0.00 C ATOM 1676 O GLU A 103 10.013 14.527 -10.552 1.00 0.00 O ATOM 1677 CB GLU A 103 8.838 14.136 -7.477 1.00 0.00 C ATOM 1678 CG GLU A 103 7.658 14.382 -6.557 1.00 0.00 C ATOM 1679 CD GLU A 103 8.086 14.642 -5.135 1.00 0.00 C ATOM 1680 OE1 GLU A 103 8.443 15.793 -4.823 1.00 0.00 O ATOM 1681 OE2 GLU A 103 8.063 13.698 -4.320 1.00 0.00 O ATOM 0 H GLU A 103 7.547 12.122 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 103 7.832 14.609 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.440 13.322 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.470 15.024 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.086 15.234 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.994 13.518 -6.582 1.00 0.00 H new ATOM 1688 N LEU A 104 10.314 12.476 -9.677 1.00 0.00 N ATOM 1689 CA LEU A 104 11.546 12.217 -10.418 1.00 0.00 C ATOM 1690 C LEU A 104 11.277 12.064 -11.916 1.00 0.00 C ATOM 1691 O LEU A 104 12.086 12.481 -12.748 1.00 0.00 O ATOM 1692 CB LEU A 104 12.231 10.959 -9.878 1.00 0.00 C ATOM 1693 CG LEU A 104 12.563 10.989 -8.382 1.00 0.00 C ATOM 1694 CD1 LEU A 104 13.282 9.715 -7.970 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.399 12.213 -8.037 1.00 0.00 C ATOM 0 H LEU A 104 10.009 11.703 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 104 12.205 13.075 -10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.587 10.101 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.154 10.799 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 104 11.627 11.051 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.510 9.754 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.644 8.855 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.209 9.621 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.622 12.212 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.331 12.189 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.844 13.116 -8.291 1.00 0.00 H new ATOM 1707 N ASN A 105 10.137 11.476 -12.254 1.00 0.00 N ATOM 1708 CA ASN A 105 9.772 11.255 -13.654 1.00 0.00 C ATOM 1709 C ASN A 105 9.018 12.449 -14.232 1.00 0.00 C ATOM 1710 O ASN A 105 8.624 12.430 -15.399 1.00 0.00 O ATOM 1711 CB ASN A 105 8.919 9.988 -13.802 1.00 0.00 C ATOM 1712 CG ASN A 105 9.738 8.706 -13.836 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.899 8.705 -13.195 1.00 0.00 O flip ATOM 1714 ND2 ASN A 105 9.324 7.718 -14.443 1.00 0.00 N flip ATOM 0 H ASN A 105 9.447 11.142 -11.581 1.00 0.00 H new ATOM 0 HA ASN A 105 10.700 11.130 -14.212 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.212 9.936 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.332 10.059 -14.718 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.426 7.755 -14.925 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.879 6.863 -14.464 1.00 0.00 H new ATOM 1721 N LEU A 106 8.826 13.482 -13.410 1.00 0.00 N ATOM 1722 CA LEU A 106 8.108 14.694 -13.819 1.00 0.00 C ATOM 1723 C LEU A 106 6.670 14.357 -14.197 1.00 0.00 C ATOM 1724 O LEU A 106 6.118 14.878 -15.169 1.00 0.00 O ATOM 1725 CB LEU A 106 8.829 15.392 -14.981 1.00 0.00 C ATOM 1726 CG LEU A 106 8.321 16.796 -15.324 1.00 0.00 C ATOM 1727 CD1 LEU A 106 8.442 17.722 -14.123 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.085 17.358 -16.511 1.00 0.00 C ATOM 0 H LEU A 106 9.161 13.504 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 106 8.090 15.383 -12.975 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.890 15.457 -14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.741 14.766 -15.869 1.00 0.00 H new ATOM 0 HG LEU A 106 7.267 16.724 -15.592 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.076 18.713 -14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.850 17.326 -13.297 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.487 17.791 -13.820 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.713 18.356 -16.743 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.146 17.413 -16.268 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.944 16.708 -17.375 1.00 0.00 H new ATOM 1740 N GLY A 107 6.066 13.481 -13.413 1.00 0.00 N ATOM 1741 CA GLY A 107 4.680 13.146 -13.614 1.00 0.00 C ATOM 1742 C GLY A 107 3.777 14.271 -13.163 1.00 0.00 C ATOM 1743 O GLY A 107 3.607 14.494 -11.965 1.00 0.00 O ATOM 0 H GLY A 107 6.516 12.995 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.503 12.934 -14.668 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.438 12.238 -13.062 1.00 0.00 H new ATOM 1747 N ASP A 108 3.256 15.016 -14.127 1.00 0.00 N ATOM 1748 CA ASP A 108 2.288 16.079 -13.853 1.00 0.00 C ATOM 1749 C ASP A 108 1.164 15.561 -12.952 1.00 0.00 C ATOM 1750 O ASP A 108 0.558 14.522 -13.232 1.00 0.00 O ATOM 1751 CB ASP A 108 1.699 16.605 -15.166 1.00 0.00 C ATOM 1752 CG ASP A 108 0.991 17.937 -15.000 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.070 18.030 -14.165 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.356 18.903 -15.706 1.00 0.00 O ATOM 0 H ASP A 108 3.487 14.906 -15.114 1.00 0.00 H new ATOM 0 HA ASP A 108 2.803 16.891 -13.340 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.498 16.712 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.997 15.872 -15.563 1.00 0.00 H new ATOM 1759 N GLU A 109 0.883 16.295 -11.879 1.00 0.00 N ATOM 1760 CA GLU A 109 -0.094 15.867 -10.882 1.00 0.00 C ATOM 1761 C GLU A 109 -1.524 15.942 -11.414 1.00 0.00 C ATOM 1762 O GLU A 109 -2.446 15.452 -10.768 1.00 0.00 O ATOM 1763 CB GLU A 109 0.016 16.723 -9.618 1.00 0.00 C ATOM 1764 CG GLU A 109 1.326 16.557 -8.870 1.00 0.00 C ATOM 1765 CD GLU A 109 1.373 17.393 -7.609 1.00 0.00 C ATOM 1766 OE1 GLU A 109 0.797 16.968 -6.587 1.00 0.00 O ATOM 1767 OE2 GLU A 109 1.994 18.474 -7.627 1.00 0.00 O ATOM 0 H GLU A 109 1.321 17.194 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 109 0.131 14.827 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.104 17.772 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.807 16.471 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.466 15.507 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.153 16.838 -9.522 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.700 16.556 -12.583 1.00 0.00 N ATOM 1775 CA GLU A 110 -3.022 16.708 -13.190 1.00 0.00 C ATOM 1776 C GLU A 110 -3.750 15.365 -13.235 1.00 0.00 C ATOM 1777 O GLU A 110 -4.865 15.236 -12.728 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.872 17.299 -14.601 1.00 0.00 C ATOM 1779 CG GLU A 110 -4.179 17.689 -15.283 1.00 0.00 C ATOM 1780 CD GLU A 110 -4.945 16.500 -15.828 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -4.488 15.899 -16.820 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -6.012 16.169 -15.274 1.00 0.00 O ATOM 0 H GLU A 110 -0.940 16.958 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.620 17.389 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.234 18.181 -14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.356 16.573 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.808 18.223 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.964 18.380 -16.099 1.00 0.00 H new ATOM 1789 N LEU A 111 -3.095 14.367 -13.811 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.677 13.039 -13.958 1.00 0.00 C ATOM 1791 C LEU A 111 -4.050 12.455 -12.597 1.00 0.00 C ATOM 1792 O LEU A 111 -5.153 11.937 -12.406 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.678 12.121 -14.663 1.00 0.00 C ATOM 1794 CG LEU A 111 -2.181 12.622 -16.022 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -1.042 11.752 -16.529 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -3.319 12.648 -17.030 1.00 0.00 C ATOM 0 H LEU A 111 -2.151 14.453 -14.188 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.586 13.119 -14.555 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.817 11.977 -14.010 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.141 11.144 -14.801 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.808 13.638 -15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.703 12.124 -17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.216 11.783 -15.818 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.389 10.725 -16.637 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.947 13.007 -17.990 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.722 11.642 -17.150 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.105 13.314 -16.674 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.133 12.592 -11.646 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.303 12.029 -10.311 1.00 0.00 C ATOM 1810 C LEU A 112 -4.442 12.708 -9.558 1.00 0.00 C ATOM 1811 O LEU A 112 -5.010 12.132 -8.629 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.010 12.184 -9.499 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.775 11.499 -10.082 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.452 11.823 -9.244 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.984 9.995 -10.155 1.00 0.00 C ATOM 0 H LEU A 112 -2.255 13.094 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.543 10.973 -10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.796 13.247 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.182 11.790 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.616 11.874 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.325 11.329 -9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.613 12.901 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.299 11.472 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.094 9.524 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.166 9.604 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.842 9.777 -10.791 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.779 13.922 -9.973 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.684 14.767 -9.209 1.00 0.00 C ATOM 1829 C GLU A 113 -6.922 15.149 -10.028 1.00 0.00 C ATOM 1830 O GLU A 113 -7.548 16.181 -9.786 1.00 0.00 O ATOM 1831 CB GLU A 113 -4.914 16.008 -8.751 1.00 0.00 C ATOM 1832 CG GLU A 113 -5.517 16.715 -7.550 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.530 17.653 -6.887 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.759 17.190 -6.013 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -4.521 18.851 -7.233 1.00 0.00 O ATOM 0 H GLU A 113 -4.438 14.343 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.047 14.219 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -3.891 15.717 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.858 16.712 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.396 17.278 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.855 15.974 -6.826 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.278 14.309 -10.994 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.501 14.508 -11.754 1.00 0.00 C ATOM 1844 C ARG A 114 -9.638 13.710 -11.100 1.00 0.00 C ATOM 1845 O ARG A 114 -10.193 14.141 -10.091 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.292 14.082 -13.208 1.00 0.00 C ATOM 1847 CG ARG A 114 -9.240 14.752 -14.185 1.00 0.00 C ATOM 1848 CD ARG A 114 -9.125 14.158 -15.579 1.00 0.00 C ATOM 1849 NE ARG A 114 -7.772 14.255 -16.122 1.00 0.00 N ATOM 1850 CZ ARG A 114 -7.446 13.898 -17.365 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -8.334 13.287 -18.141 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -6.227 14.133 -17.827 1.00 0.00 N ATOM 0 H ARG A 114 -6.738 13.488 -11.266 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.769 15.564 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.266 14.308 -13.499 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.414 13.001 -13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.264 14.646 -13.828 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.025 15.820 -14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -9.426 13.111 -15.550 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -9.818 14.670 -16.246 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.035 14.616 -15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -9.270 13.089 -17.787 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.080 13.016 -19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.535 14.588 -17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.980 13.859 -18.778 1.00 0.00 H new ATOM 1866 N GLU A 115 -9.963 12.537 -11.651 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.877 11.596 -10.998 1.00 0.00 C ATOM 1868 C GLU A 115 -10.819 10.272 -11.752 1.00 0.00 C ATOM 1869 O GLU A 115 -10.418 10.254 -12.907 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.310 12.147 -10.982 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.114 11.792 -9.733 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.271 10.300 -9.535 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -12.472 9.714 -8.777 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.159 9.698 -10.176 1.00 0.00 O ATOM 0 H GLU A 115 -9.605 12.216 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.574 11.448 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.269 13.232 -11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.839 11.772 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.624 12.219 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.101 12.250 -9.801 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.195 9.177 -11.102 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.233 7.871 -11.752 1.00 0.00 C ATOM 1883 C LEU A 116 -12.192 7.906 -12.939 1.00 0.00 C ATOM 1884 O LEU A 116 -11.856 7.467 -14.038 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.669 6.789 -10.754 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.831 5.380 -11.339 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.499 4.843 -11.842 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.432 4.441 -10.307 1.00 0.00 C ATOM 0 H LEU A 116 -11.479 9.167 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.232 7.630 -12.111 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.937 6.747 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.617 7.090 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.512 5.441 -12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.641 3.843 -12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.111 5.502 -12.619 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.789 4.799 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.540 3.446 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.777 4.390 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.411 4.813 -10.003 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.383 8.454 -12.711 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.379 8.612 -13.768 1.00 0.00 C ATOM 1902 C ALA A 117 -13.958 9.687 -14.772 1.00 0.00 C ATOM 1903 O ALA A 117 -14.548 9.812 -15.847 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.735 8.950 -13.169 1.00 0.00 C ATOM 0 H ALA A 117 -13.683 8.798 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.454 7.665 -14.303 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.467 9.065 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.049 8.147 -12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.663 9.881 -12.607 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.942 10.465 -14.414 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.407 11.485 -15.307 1.00 0.00 C ATOM 1912 C LEU A 118 -11.188 10.954 -16.047 1.00 0.00 C ATOM 1913 O LEU A 118 -10.643 11.615 -16.932 1.00 0.00 O ATOM 1914 CB LEU A 118 -12.020 12.746 -14.535 1.00 0.00 C ATOM 1915 CG LEU A 118 -13.169 13.523 -13.895 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.626 14.757 -13.189 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -14.203 13.916 -14.940 1.00 0.00 C ATOM 0 H LEU A 118 -12.472 10.408 -13.510 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.187 11.739 -16.024 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.317 12.466 -13.751 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.490 13.414 -15.214 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.660 12.883 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.449 15.308 -12.734 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.921 14.453 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.118 15.395 -13.912 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.012 14.468 -14.462 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.734 14.543 -15.698 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.605 13.018 -15.410 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.761 9.759 -15.675 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.573 9.158 -16.254 1.00 0.00 C ATOM 1931 C LEU A 119 -9.955 8.074 -17.248 1.00 0.00 C ATOM 1932 O LEU A 119 -11.069 7.548 -17.220 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.665 8.596 -15.148 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.473 9.488 -14.762 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.874 10.952 -14.729 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.905 9.086 -13.409 1.00 0.00 C ATOM 0 H LEU A 119 -11.223 9.184 -14.971 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.019 9.928 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.270 8.420 -14.258 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.284 7.627 -15.471 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.705 9.350 -15.523 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.012 11.559 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.230 11.254 -15.714 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.668 11.095 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.064 9.733 -13.161 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.677 9.186 -12.646 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.567 8.051 -13.449 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.033 7.766 -18.141 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.258 6.763 -19.162 1.00 0.00 C ATOM 1950 C VAL A 120 -7.926 6.136 -19.546 1.00 0.00 C ATOM 1951 O VAL A 120 -6.884 6.777 -19.443 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.951 7.370 -20.411 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.086 8.448 -21.051 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.309 6.290 -21.428 1.00 0.00 C ATOM 0 H VAL A 120 -8.112 8.202 -18.178 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.923 5.999 -18.761 1.00 0.00 H new ATOM 0 HB VAL A 120 -10.878 7.835 -20.076 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.598 8.855 -21.923 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.907 9.246 -20.331 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.134 8.016 -21.358 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.793 6.748 -22.291 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.402 5.778 -21.750 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.988 5.571 -20.971 1.00 0.00 H new ATOM 1964 N SER A 121 -7.964 4.878 -19.951 1.00 0.00 N ATOM 1965 CA SER A 121 -6.763 4.175 -20.357 1.00 0.00 C ATOM 1966 C SER A 121 -6.206 4.747 -21.658 1.00 0.00 C ATOM 1967 O SER A 121 -6.833 5.599 -22.286 1.00 0.00 O ATOM 1968 CB SER A 121 -7.063 2.688 -20.498 1.00 0.00 C ATOM 1969 OG SER A 121 -7.484 2.149 -19.258 1.00 0.00 O ATOM 0 H SER A 121 -8.818 4.322 -20.007 1.00 0.00 H new ATOM 0 HA SER A 121 -6.001 4.309 -19.590 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.838 2.537 -21.249 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.174 2.163 -20.847 1.00 0.00 H new ATOM 0 HG SER A 121 -7.062 2.645 -18.526 1.00 0.00 H new ATOM 1975 N ALA A 122 -5.018 4.279 -22.033 1.00 0.00 N ATOM 1976 CA ALA A 122 -4.301 4.772 -23.210 1.00 0.00 C ATOM 1977 C ALA A 122 -5.181 4.832 -24.458 1.00 0.00 C ATOM 1978 O ALA A 122 -4.937 5.643 -25.352 1.00 0.00 O ATOM 1979 CB ALA A 122 -3.084 3.901 -23.475 1.00 0.00 C ATOM 0 H ALA A 122 -4.522 3.544 -21.528 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.990 5.793 -22.991 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.554 4.273 -24.352 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.420 3.931 -22.611 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.403 2.874 -23.652 1.00 0.00 H new ATOM 1985 N HIS A 123 -6.195 3.980 -24.528 1.00 0.00 N ATOM 1986 CA HIS A 123 -7.109 4.003 -25.656 1.00 0.00 C ATOM 1987 C HIS A 123 -8.249 4.992 -25.423 1.00 0.00 C ATOM 1988 O HIS A 123 -9.366 4.610 -25.064 1.00 0.00 O ATOM 1989 CB HIS A 123 -7.655 2.602 -25.962 1.00 0.00 C ATOM 1990 CG HIS A 123 -8.683 2.579 -27.055 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -8.414 2.949 -28.356 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -9.994 2.250 -27.025 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -9.515 2.846 -29.075 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -10.489 2.423 -28.293 1.00 0.00 N ATOM 0 H HIS A 123 -6.402 3.272 -23.824 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.545 4.338 -26.526 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.826 1.952 -26.242 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.093 2.187 -25.055 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -10.549 1.913 -26.162 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.604 3.070 -30.128 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -11.452 2.252 -28.583 1.00 0.00 H new ATOM 2003 N ASP A 124 -7.937 6.266 -25.578 1.00 0.00 N ATOM 2004 CA ASP A 124 -8.956 7.301 -25.701 1.00 0.00 C ATOM 2005 C ASP A 124 -8.850 7.890 -27.099 1.00 0.00 C ATOM 2006 O ASP A 124 -9.634 8.749 -27.510 1.00 0.00 O ATOM 2007 CB ASP A 124 -8.794 8.388 -24.630 1.00 0.00 C ATOM 2008 CG ASP A 124 -7.494 9.163 -24.735 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -6.481 8.592 -25.192 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -7.472 10.340 -24.306 1.00 0.00 O ATOM 0 H ASP A 124 -6.979 6.614 -25.622 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.943 6.866 -25.546 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.629 9.085 -24.704 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.852 7.925 -23.645 1.00 0.00 H new ATOM 2015 N ASP A 125 -7.856 7.389 -27.815 1.00 0.00 N ATOM 2016 CA ASP A 125 -7.628 7.715 -29.210 1.00 0.00 C ATOM 2017 C ASP A 125 -7.914 6.484 -30.057 1.00 0.00 C ATOM 2018 O ASP A 125 -7.199 5.471 -29.890 1.00 0.00 O ATOM 2019 CB ASP A 125 -6.181 8.177 -29.415 1.00 0.00 C ATOM 2020 CG ASP A 125 -5.830 8.391 -30.874 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -5.989 9.525 -31.369 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -5.364 7.434 -31.531 1.00 0.00 O ATOM 0 H ASP A 125 -7.174 6.733 -27.434 1.00 0.00 H new ATOM 0 HA ASP A 125 -8.291 8.526 -29.510 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.021 9.106 -28.868 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -5.505 7.436 -28.989 1.00 0.00 H new TER 2027 ASP A 125