USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 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 33 GLN : amide:sc= -0.941 K(o=-0.94,f=-2.9!) USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 116 ASN : amide:sc=-0.00642 K(o=-0.0064,f=-0.78) USER MOD Set 3.1: A 55 CYS SG : rot 46:sc= 0.0737 USER MOD Set 3.2: A 69 HIS :FLIP no HE2:sc= 0.0864 F(o=-1.7,f=0.16) USER MOD Set 4.1: A 53 ASN : amide:sc= 0.539 K(o=1.2,f=-5.7!) USER MOD Set 4.2: A 113 LYS NZ :NH3+ 160:sc= 0.616 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot -157:sc= 0.00814 USER MOD Set 5.2: A 42 MET CE :methyl 166:sc= -2.54! (180deg=-3.21) USER MOD Set 6.1: A 39 SER OG : rot 160:sc= 0.0624 USER MOD Set 6.2: A 93 ASN :FLIP amide:sc= -2.43 F(o=-6.2!,f=-2.4) USER MOD Set 7.1: A 1 MET N :NH3+ 141:sc= 0.853 (180deg=-1.05) USER MOD Set 7.2: A 2 LYS NZ :NH3+ -141:sc= -0.0661 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HE2:sc= 0.163 F(o=-0.74,f=0.16) USER MOD Single : A 7 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.59) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.16) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -4.94! C(o=-5.6!,f=-4.9!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.198 F(o=-1.8!,f=-0.2) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 148:sc= 0.864 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 29 ASN : amide:sc= -2.71! C(o=-2.7!,f=-4.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -59:sc= 0.121 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -173:sc= -2.7 (180deg=-2.73) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.479 K(o=0.48,f=-0.31) USER MOD Single : A 67 CYS SG : rot -179:sc= -0.963 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.168 F(o=-0.85,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.266 K(o=-0.27,f=-3!) USER MOD Single : A 82 MET CE :methyl 174:sc= -5.16! (180deg=-5.37!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= 0.0026 (180deg=-0.00389) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= 0.613 (180deg=0.379) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.21 F(o=-2.9!,f=-1.2) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.006 6.753 -49.515 1.00 0.00 N ATOM 2 CA MET A 1 -34.504 7.489 -48.360 1.00 0.00 C ATOM 3 C MET A 1 -33.294 6.786 -47.752 1.00 0.00 C ATOM 4 O MET A 1 -33.409 5.684 -47.215 1.00 0.00 O ATOM 5 CB MET A 1 -35.603 7.640 -47.308 1.00 0.00 C ATOM 6 CG MET A 1 -36.340 6.345 -47.008 1.00 0.00 C ATOM 7 SD MET A 1 -37.621 5.978 -48.223 1.00 0.00 S ATOM 8 CE MET A 1 -39.099 6.226 -47.242 1.00 0.00 C ATOM 0 H1 MET A 1 -36.046 6.776 -49.516 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.649 7.191 -50.388 1.00 0.00 H new ATOM 0 H3 MET A 1 -34.682 5.766 -49.466 1.00 0.00 H new ATOM 0 HA MET A 1 -34.196 8.479 -48.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 -35.162 8.019 -46.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 -36.321 8.386 -47.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.625 5.523 -46.980 1.00 0.00 H new ATOM 0 HG3 MET A 1 -36.791 6.409 -46.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -39.979 6.036 -47.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 -39.093 5.540 -46.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -39.126 7.253 -46.877 1.00 0.00 H new ATOM 18 N LYS A 2 -32.136 7.430 -47.839 1.00 0.00 N ATOM 19 CA LYS A 2 -30.904 6.868 -47.296 1.00 0.00 C ATOM 20 C LYS A 2 -29.980 7.970 -46.789 1.00 0.00 C ATOM 21 O LYS A 2 -30.142 9.139 -47.140 1.00 0.00 O ATOM 22 CB LYS A 2 -30.187 6.036 -48.361 1.00 0.00 C ATOM 23 CG LYS A 2 -31.022 4.887 -48.900 1.00 0.00 C ATOM 24 CD LYS A 2 -31.853 5.316 -50.098 1.00 0.00 C ATOM 25 CE LYS A 2 -32.875 4.255 -50.476 1.00 0.00 C ATOM 26 NZ LYS A 2 -33.811 4.736 -51.529 1.00 0.00 N ATOM 0 H LYS A 2 -32.024 8.343 -48.281 1.00 0.00 H new ATOM 0 HA LYS A 2 -31.167 6.224 -46.456 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.903 6.687 -49.188 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -29.265 5.637 -47.938 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -30.368 4.063 -49.186 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -31.679 4.514 -48.115 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -32.365 6.251 -49.871 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -31.197 5.510 -50.947 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -32.358 3.363 -50.830 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -33.442 3.965 -49.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.770 4.389 -51.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -33.815 5.776 -51.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -33.503 4.380 -52.456 1.00 0.00 H new ATOM 40 N ASP A 3 -29.011 7.590 -45.964 1.00 0.00 N ATOM 41 CA ASP A 3 -28.059 8.546 -45.410 1.00 0.00 C ATOM 42 C ASP A 3 -26.804 7.837 -44.913 1.00 0.00 C ATOM 43 O ASP A 3 -26.794 6.618 -44.739 1.00 0.00 O ATOM 44 CB ASP A 3 -28.701 9.335 -44.268 1.00 0.00 C ATOM 45 CG ASP A 3 -29.959 10.062 -44.702 1.00 0.00 C ATOM 46 OD1 ASP A 3 -31.044 9.444 -44.665 1.00 0.00 O ATOM 47 OD2 ASP A 3 -29.858 11.249 -45.077 1.00 0.00 O ATOM 0 H ASP A 3 -28.864 6.626 -45.664 1.00 0.00 H new ATOM 0 HA ASP A 3 -27.774 9.238 -46.203 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -28.941 8.655 -43.451 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -27.983 10.057 -43.881 1.00 0.00 H new ATOM 52 N HIS A 4 -25.745 8.608 -44.686 1.00 0.00 N ATOM 53 CA HIS A 4 -24.483 8.054 -44.208 1.00 0.00 C ATOM 54 C HIS A 4 -23.696 9.095 -43.419 1.00 0.00 C ATOM 55 O HIS A 4 -23.335 10.147 -43.947 1.00 0.00 O ATOM 56 CB HIS A 4 -23.647 7.548 -45.384 1.00 0.00 C ATOM 57 CG HIS A 4 -23.801 8.371 -46.626 1.00 0.00 C ATOM 58 ND1 HIS A 4 -23.753 9.711 -46.813 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 -24.038 7.821 -47.868 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 -23.959 9.943 -48.151 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 -24.127 8.786 -48.765 1.00 0.00 N flip ATOM 0 H HIS A 4 -25.736 9.618 -44.825 1.00 0.00 H new ATOM 0 HA HIS A 4 -24.709 7.218 -43.546 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -22.596 7.536 -45.094 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -23.929 6.518 -45.603 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -23.594 10.417 -46.094 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -24.136 6.766 -48.075 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.980 10.914 -48.624 1.00 0.00 H new ATOM 70 N LEU A 5 -23.434 8.796 -42.151 1.00 0.00 N ATOM 71 CA LEU A 5 -22.690 9.707 -41.288 1.00 0.00 C ATOM 72 C LEU A 5 -21.424 9.042 -40.757 1.00 0.00 C ATOM 73 O LEU A 5 -21.491 8.099 -39.968 1.00 0.00 O ATOM 74 CB LEU A 5 -23.567 10.165 -40.121 1.00 0.00 C ATOM 75 CG LEU A 5 -24.494 11.348 -40.403 1.00 0.00 C ATOM 76 CD1 LEU A 5 -23.691 12.627 -40.574 1.00 0.00 C ATOM 77 CD2 LEU A 5 -25.342 11.079 -41.638 1.00 0.00 C ATOM 0 H LEU A 5 -23.726 7.930 -41.698 1.00 0.00 H new ATOM 0 HA LEU A 5 -22.401 10.575 -41.880 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -24.176 9.321 -39.797 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -22.918 10.429 -39.286 1.00 0.00 H new ATOM 0 HG LEU A 5 -25.160 11.474 -39.550 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -24.368 13.458 -40.774 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -23.129 12.828 -39.662 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.999 12.514 -41.409 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -25.995 11.931 -41.823 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -24.692 10.926 -42.499 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -25.947 10.187 -41.477 1.00 0.00 H new ATOM 89 N ILE A 6 -20.273 9.540 -41.194 1.00 0.00 N ATOM 90 CA ILE A 6 -18.992 8.996 -40.760 1.00 0.00 C ATOM 91 C ILE A 6 -18.077 10.097 -40.235 1.00 0.00 C ATOM 92 O ILE A 6 -17.608 10.945 -40.996 1.00 0.00 O ATOM 93 CB ILE A 6 -18.279 8.253 -41.905 1.00 0.00 C ATOM 94 CG1 ILE A 6 -19.155 7.112 -42.425 1.00 0.00 C ATOM 95 CG2 ILE A 6 -16.933 7.723 -41.434 1.00 0.00 C ATOM 96 CD1 ILE A 6 -18.881 6.750 -43.868 1.00 0.00 C ATOM 0 H ILE A 6 -20.201 10.319 -41.848 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.204 8.290 -39.957 1.00 0.00 H new ATOM 0 HB ILE A 6 -18.106 8.954 -42.722 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -18.999 6.231 -41.802 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.203 7.393 -42.322 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.441 7.200 -42.254 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.309 8.555 -41.107 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -17.084 7.034 -40.603 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -19.538 5.934 -44.169 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -19.065 7.617 -44.502 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -17.842 6.437 -43.974 1.00 0.00 H new ATOM 108 N HIS A 7 -17.824 10.078 -38.930 1.00 0.00 N ATOM 109 CA HIS A 7 -16.962 11.074 -38.303 1.00 0.00 C ATOM 110 C HIS A 7 -16.405 10.555 -36.982 1.00 0.00 C ATOM 111 O HIS A 7 -17.158 10.176 -36.086 1.00 0.00 O ATOM 112 CB HIS A 7 -17.734 12.373 -38.070 1.00 0.00 C ATOM 113 CG HIS A 7 -18.656 12.318 -36.891 1.00 0.00 C ATOM 114 ND1 HIS A 7 -19.744 11.474 -36.825 1.00 0.00 N ATOM 115 CD2 HIS A 7 -18.647 13.009 -35.727 1.00 0.00 C ATOM 116 CE1 HIS A 7 -20.365 11.648 -35.672 1.00 0.00 C ATOM 117 NE2 HIS A 7 -19.719 12.574 -34.987 1.00 0.00 N ATOM 0 H HIS A 7 -18.204 9.384 -38.286 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.128 11.272 -38.976 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.024 13.188 -37.928 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.313 12.607 -38.963 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.930 13.762 -35.435 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.250 11.122 -35.345 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.975 12.911 -34.059 1.00 0.00 H new ATOM 126 N ASN A 8 -15.081 10.540 -36.868 1.00 0.00 N ATOM 127 CA ASN A 8 -14.422 10.066 -35.656 1.00 0.00 C ATOM 128 C ASN A 8 -12.919 10.318 -35.720 1.00 0.00 C ATOM 129 O ASN A 8 -12.241 9.867 -36.644 1.00 0.00 O ATOM 130 CB ASN A 8 -14.693 8.574 -35.454 1.00 0.00 C ATOM 131 CG ASN A 8 -13.635 7.905 -34.598 1.00 0.00 C ATOM 132 OD1 ASN A 8 -12.781 7.177 -35.103 1.00 0.00 O ATOM 133 ND2 ASN A 8 -13.687 8.151 -33.294 1.00 0.00 N ATOM 0 H ASN A 8 -14.443 10.851 -37.601 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.829 10.620 -34.810 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.669 8.445 -34.987 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.736 8.081 -36.425 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.001 7.730 -32.668 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.413 8.761 -32.919 1.00 0.00 H new ATOM 140 N VAL A 9 -12.403 11.041 -34.731 1.00 0.00 N ATOM 141 CA VAL A 9 -10.980 11.352 -34.673 1.00 0.00 C ATOM 142 C VAL A 9 -10.430 11.148 -33.266 1.00 0.00 C ATOM 143 O VAL A 9 -10.756 11.897 -32.345 1.00 0.00 O ATOM 144 CB VAL A 9 -10.703 12.802 -35.115 1.00 0.00 C ATOM 145 CG1 VAL A 9 -10.932 12.957 -36.610 1.00 0.00 C ATOM 146 CG2 VAL A 9 -11.573 13.772 -34.330 1.00 0.00 C ATOM 0 H VAL A 9 -12.950 11.422 -33.959 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.479 10.669 -35.359 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.659 13.035 -34.906 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.732 13.987 -36.904 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.263 12.288 -37.152 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.966 12.707 -36.848 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.365 14.792 -34.654 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.624 13.542 -34.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.354 13.678 -33.266 1.00 0.00 H new ATOM 156 N HIS A 10 -9.591 10.128 -33.106 1.00 0.00 N ATOM 157 CA HIS A 10 -8.994 9.825 -31.811 1.00 0.00 C ATOM 158 C HIS A 10 -7.717 9.008 -31.979 1.00 0.00 C ATOM 159 O HIS A 10 -7.748 7.883 -32.481 1.00 0.00 O ATOM 160 CB HIS A 10 -9.988 9.064 -30.933 1.00 0.00 C ATOM 161 CG HIS A 10 -9.728 9.215 -29.465 1.00 0.00 C ATOM 162 ND1 HIS A 10 -9.633 10.440 -28.839 1.00 0.00 N ATOM 163 CD2 HIS A 10 -9.544 8.285 -28.499 1.00 0.00 C ATOM 164 CE1 HIS A 10 -9.400 10.257 -27.552 1.00 0.00 C ATOM 165 NE2 HIS A 10 -9.342 8.958 -27.319 1.00 0.00 N ATOM 0 H HIS A 10 -9.310 9.498 -33.858 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.740 10.768 -31.326 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -10.997 9.414 -31.153 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.954 8.006 -31.193 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.554 7.213 -28.631 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.278 11.037 -26.815 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.174 8.525 -26.411 1.00 0.00 H new ATOM 174 N LYS A 11 -6.594 9.580 -31.558 1.00 0.00 N ATOM 175 CA LYS A 11 -5.305 8.905 -31.662 1.00 0.00 C ATOM 176 C LYS A 11 -5.121 7.908 -30.523 1.00 0.00 C ATOM 177 O LYS A 11 -5.635 8.106 -29.423 1.00 0.00 O ATOM 178 CB LYS A 11 -4.168 9.929 -31.647 1.00 0.00 C ATOM 179 CG LYS A 11 -2.870 9.405 -32.236 1.00 0.00 C ATOM 180 CD LYS A 11 -1.671 10.190 -31.732 1.00 0.00 C ATOM 181 CE LYS A 11 -1.100 9.581 -30.461 1.00 0.00 C ATOM 182 NZ LYS A 11 -0.113 10.483 -29.807 1.00 0.00 N ATOM 0 H LYS A 11 -6.550 10.510 -31.141 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.282 8.360 -32.606 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.479 10.813 -32.204 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.989 10.246 -30.620 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.751 8.353 -31.978 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.913 9.464 -33.324 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.901 10.214 -32.503 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.965 11.222 -31.542 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.911 9.366 -29.766 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.622 8.630 -30.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.252 10.031 -28.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.674 10.668 -30.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.575 11.381 -29.558 1.00 0.00 H new ATOM 196 N GLU A 12 -4.382 6.836 -30.795 1.00 0.00 N ATOM 197 CA GLU A 12 -4.130 5.809 -29.791 1.00 0.00 C ATOM 198 C GLU A 12 -2.696 5.296 -29.886 1.00 0.00 C ATOM 199 O GLU A 12 -2.161 5.119 -30.980 1.00 0.00 O ATOM 200 CB GLU A 12 -5.111 4.647 -29.961 1.00 0.00 C ATOM 201 CG GLU A 12 -4.863 3.496 -29.000 1.00 0.00 C ATOM 202 CD GLU A 12 -5.371 3.785 -27.601 1.00 0.00 C ATOM 203 OE1 GLU A 12 -4.684 4.519 -26.861 1.00 0.00 O ATOM 204 OE2 GLU A 12 -6.456 3.277 -27.246 1.00 0.00 O ATOM 0 H GLU A 12 -3.948 6.657 -31.701 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.274 6.256 -28.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.127 5.016 -29.818 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.048 4.276 -30.984 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.350 2.598 -29.381 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.794 3.286 -28.958 1.00 0.00 H new ATOM 211 N GLU A 13 -2.080 5.061 -28.731 1.00 0.00 N ATOM 212 CA GLU A 13 -0.707 4.571 -28.684 1.00 0.00 C ATOM 213 C GLU A 13 -0.669 3.098 -28.285 1.00 0.00 C ATOM 214 O GLU A 13 -1.695 2.510 -27.941 1.00 0.00 O ATOM 215 CB GLU A 13 0.120 5.399 -27.700 1.00 0.00 C ATOM 216 CG GLU A 13 -0.207 5.119 -26.243 1.00 0.00 C ATOM 217 CD GLU A 13 0.897 5.560 -25.302 1.00 0.00 C ATOM 218 OE1 GLU A 13 2.082 5.428 -25.673 1.00 0.00 O ATOM 219 OE2 GLU A 13 0.576 6.036 -24.193 1.00 0.00 O ATOM 0 H GLU A 13 -2.510 5.202 -27.817 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.278 4.671 -29.681 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.178 5.200 -27.871 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.042 6.458 -27.903 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.132 5.631 -25.977 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.385 4.052 -26.113 1.00 0.00 H new ATOM 226 N HIS A 14 0.521 2.509 -28.334 1.00 0.00 N ATOM 227 CA HIS A 14 0.694 1.105 -27.977 1.00 0.00 C ATOM 228 C HIS A 14 2.163 0.789 -27.710 1.00 0.00 C ATOM 229 O HIS A 14 2.968 0.708 -28.637 1.00 0.00 O ATOM 230 CB HIS A 14 0.161 0.204 -29.092 1.00 0.00 C ATOM 231 CG HIS A 14 -1.098 0.714 -29.723 1.00 0.00 C ATOM 232 ND1 HIS A 14 -1.289 1.631 -30.701 1.00 0.00 N flip ATOM 233 CD2 HIS A 14 -2.353 0.277 -29.358 1.00 0.00 C flip ATOM 234 CE1 HIS A 14 -2.643 1.729 -30.907 1.00 0.00 C flip ATOM 235 NE2 HIS A 14 -3.263 0.902 -30.085 1.00 0.00 N flip ATOM 0 H HIS A 14 1.380 2.981 -28.617 1.00 0.00 H new ATOM 0 HA HIS A 14 0.128 0.915 -27.065 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.927 0.099 -29.861 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.022 -0.791 -28.687 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.561 -0.461 -28.597 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.123 2.377 -31.625 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.272 0.768 -30.022 1.00 0.00 H new ATOM 244 N ALA A 15 2.503 0.614 -26.438 1.00 0.00 N ATOM 245 CA ALA A 15 3.874 0.306 -26.049 1.00 0.00 C ATOM 246 C ALA A 15 3.917 -0.394 -24.695 1.00 0.00 C ATOM 247 O ALA A 15 3.458 0.149 -23.690 1.00 0.00 O ATOM 248 CB ALA A 15 4.711 1.576 -26.017 1.00 0.00 C ATOM 0 H ALA A 15 1.848 0.680 -25.659 1.00 0.00 H new ATOM 0 HA ALA A 15 4.293 -0.373 -26.792 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.732 1.331 -25.725 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.716 2.033 -27.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.285 2.274 -25.297 1.00 0.00 H new ATOM 254 N HIS A 16 4.471 -1.602 -24.675 1.00 0.00 N ATOM 255 CA HIS A 16 4.574 -2.376 -23.443 1.00 0.00 C ATOM 256 C HIS A 16 5.484 -3.585 -23.636 1.00 0.00 C ATOM 257 O HIS A 16 5.977 -3.834 -24.735 1.00 0.00 O ATOM 258 CB HIS A 16 3.188 -2.833 -22.987 1.00 0.00 C ATOM 259 CG HIS A 16 2.598 -3.908 -23.847 1.00 0.00 C ATOM 260 ND1 HIS A 16 2.475 -5.218 -23.436 1.00 0.00 N ATOM 261 CD2 HIS A 16 2.095 -3.860 -25.103 1.00 0.00 C ATOM 262 CE1 HIS A 16 1.922 -5.930 -24.402 1.00 0.00 C ATOM 263 NE2 HIS A 16 1.682 -5.130 -25.424 1.00 0.00 N ATOM 0 H HIS A 16 4.856 -2.066 -25.498 1.00 0.00 H new ATOM 0 HA HIS A 16 5.008 -1.736 -22.675 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.253 -3.195 -21.961 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.516 -1.975 -22.980 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.031 -2.986 -25.735 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.704 -6.987 -24.362 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.258 -5.410 -26.309 1.00 0.00 H new ATOM 272 N ALA A 17 5.702 -4.333 -22.559 1.00 0.00 N ATOM 273 CA ALA A 17 6.552 -5.516 -22.610 1.00 0.00 C ATOM 274 C ALA A 17 6.331 -6.403 -21.389 1.00 0.00 C ATOM 275 O ALA A 17 5.722 -5.982 -20.405 1.00 0.00 O ATOM 276 CB ALA A 17 8.015 -5.111 -22.713 1.00 0.00 C ATOM 0 H ALA A 17 5.302 -4.140 -21.641 1.00 0.00 H new ATOM 0 HA ALA A 17 6.282 -6.089 -23.497 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.638 -6.005 -22.750 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.167 -4.524 -23.619 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.289 -4.513 -21.844 1.00 0.00 H new ATOM 282 N HIS A 18 6.830 -7.633 -21.459 1.00 0.00 N ATOM 283 CA HIS A 18 6.688 -8.580 -20.359 1.00 0.00 C ATOM 284 C HIS A 18 7.988 -8.694 -19.568 1.00 0.00 C ATOM 285 O HIS A 18 8.849 -9.513 -19.887 1.00 0.00 O ATOM 286 CB HIS A 18 6.278 -9.954 -20.890 1.00 0.00 C ATOM 287 CG HIS A 18 7.105 -10.419 -22.049 1.00 0.00 C ATOM 288 ND1 HIS A 18 7.158 -9.983 -23.330 1.00 0.00 N flip ATOM 289 CD2 HIS A 18 8.010 -11.455 -21.960 1.00 0.00 C flip ATOM 290 CE1 HIS A 18 8.086 -10.756 -23.984 1.00 0.00 C flip ATOM 291 NE2 HIS A 18 8.586 -11.636 -23.135 1.00 0.00 N flip ATOM 0 H HIS A 18 7.336 -7.997 -22.266 1.00 0.00 H new ATOM 0 HA HIS A 18 5.909 -8.210 -19.692 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.354 -10.684 -20.084 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.231 -9.920 -21.191 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.216 -12.029 -21.069 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.362 -10.660 -25.024 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.296 -12.336 -23.350 1.00 0.00 H new ATOM 300 N ASN A 19 8.122 -7.867 -18.536 1.00 0.00 N ATOM 301 CA ASN A 19 9.317 -7.875 -17.701 1.00 0.00 C ATOM 302 C ASN A 19 9.036 -8.533 -16.354 1.00 0.00 C ATOM 303 O ASN A 19 8.469 -7.914 -15.454 1.00 0.00 O ATOM 304 CB ASN A 19 9.824 -6.447 -17.487 1.00 0.00 C ATOM 305 CG ASN A 19 9.727 -5.604 -18.744 1.00 0.00 C ATOM 306 OD1 ASN A 19 9.071 -4.563 -18.758 1.00 0.00 O ATOM 307 ND2 ASN A 19 10.382 -6.053 -19.809 1.00 0.00 N ATOM 0 H ASN A 19 7.418 -7.183 -18.258 1.00 0.00 H new ATOM 0 HA ASN A 19 10.085 -8.454 -18.215 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.248 -5.975 -16.691 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.861 -6.479 -17.153 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.353 -5.529 -20.684 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.914 -6.922 -19.752 1.00 0.00 H new ATOM 314 N LYS A 20 9.436 -9.794 -16.223 1.00 0.00 N ATOM 315 CA LYS A 20 9.229 -10.538 -14.986 1.00 0.00 C ATOM 316 C LYS A 20 10.514 -11.235 -14.550 1.00 0.00 C ATOM 317 O LYS A 20 10.643 -12.453 -14.674 1.00 0.00 O ATOM 318 CB LYS A 20 8.113 -11.569 -15.168 1.00 0.00 C ATOM 319 CG LYS A 20 6.793 -10.964 -15.614 1.00 0.00 C ATOM 320 CD LYS A 20 5.940 -10.549 -14.428 1.00 0.00 C ATOM 321 CE LYS A 20 4.806 -9.628 -14.851 1.00 0.00 C ATOM 322 NZ LYS A 20 4.129 -9.007 -13.679 1.00 0.00 N ATOM 0 H LYS A 20 9.905 -10.322 -16.959 1.00 0.00 H new ATOM 0 HA LYS A 20 8.938 -9.831 -14.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.430 -12.310 -15.902 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.961 -12.098 -14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.985 -10.097 -16.246 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.247 -11.687 -16.221 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.529 -11.436 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.563 -10.045 -13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.197 -8.845 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.078 -10.192 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.362 -8.387 -14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.733 -9.753 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.818 -8.447 -13.137 1.00 0.00 H new ATOM 336 N ASP A 21 11.460 -10.456 -14.038 1.00 0.00 N ATOM 337 CA ASP A 21 12.734 -11.000 -13.581 1.00 0.00 C ATOM 338 C ASP A 21 13.089 -10.462 -12.198 1.00 0.00 C ATOM 339 O ASP A 21 13.837 -9.493 -12.072 1.00 0.00 O ATOM 340 CB ASP A 21 13.845 -10.659 -14.575 1.00 0.00 C ATOM 341 CG ASP A 21 15.182 -11.248 -14.173 1.00 0.00 C ATOM 342 OD1 ASP A 21 15.241 -12.468 -13.915 1.00 0.00 O ATOM 343 OD2 ASP A 21 16.172 -10.488 -14.117 1.00 0.00 O ATOM 0 H ASP A 21 11.369 -9.446 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 21 12.636 -12.084 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.571 -11.029 -15.563 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.938 -9.576 -14.654 1.00 0.00 H new ATOM 348 N TYR A 22 12.547 -11.097 -11.165 1.00 0.00 N ATOM 349 CA TYR A 22 12.804 -10.680 -9.792 1.00 0.00 C ATOM 350 C TYR A 22 13.348 -11.840 -8.963 1.00 0.00 C ATOM 351 O TYR A 22 13.334 -12.990 -9.401 1.00 0.00 O ATOM 352 CB TYR A 22 11.523 -10.139 -9.153 1.00 0.00 C ATOM 353 CG TYR A 22 10.260 -10.738 -9.728 1.00 0.00 C ATOM 354 CD1 TYR A 22 9.800 -10.366 -10.985 1.00 0.00 C ATOM 355 CD2 TYR A 22 9.526 -11.677 -9.013 1.00 0.00 C ATOM 356 CE1 TYR A 22 8.646 -10.911 -11.513 1.00 0.00 C ATOM 357 CE2 TYR A 22 8.371 -12.228 -9.535 1.00 0.00 C ATOM 358 CZ TYR A 22 7.935 -11.841 -10.784 1.00 0.00 C ATOM 359 OH TYR A 22 6.786 -12.387 -11.308 1.00 0.00 O ATOM 0 H TYR A 22 11.927 -11.902 -11.252 1.00 0.00 H new ATOM 0 HA TYR A 22 13.554 -9.889 -9.814 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.552 -10.333 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.492 -9.057 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.354 -9.638 -11.559 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.864 -11.981 -8.033 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.302 -10.610 -12.492 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.813 -12.958 -8.967 1.00 0.00 H new ATOM 0 HH TYR A 22 6.686 -13.308 -10.988 1.00 0.00 H new ATOM 369 N ASP A 23 13.826 -11.528 -7.764 1.00 0.00 N ATOM 370 CA ASP A 23 14.374 -12.543 -6.871 1.00 0.00 C ATOM 371 C ASP A 23 13.759 -12.431 -5.479 1.00 0.00 C ATOM 372 O ASP A 23 14.210 -11.636 -4.654 1.00 0.00 O ATOM 373 CB ASP A 23 15.895 -12.408 -6.783 1.00 0.00 C ATOM 374 CG ASP A 23 16.556 -13.657 -6.236 1.00 0.00 C ATOM 375 OD1 ASP A 23 16.348 -13.965 -5.044 1.00 0.00 O ATOM 376 OD2 ASP A 23 17.283 -14.327 -7.000 1.00 0.00 O ATOM 0 H ASP A 23 13.845 -10.580 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 23 14.127 -13.523 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.296 -12.193 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.145 -11.559 -6.146 1.00 0.00 H new ATOM 381 N ILE A 24 12.729 -13.231 -5.227 1.00 0.00 N ATOM 382 CA ILE A 24 12.054 -13.222 -3.935 1.00 0.00 C ATOM 383 C ILE A 24 12.438 -14.442 -3.105 1.00 0.00 C ATOM 384 O ILE A 24 12.488 -15.569 -3.598 1.00 0.00 O ATOM 385 CB ILE A 24 10.523 -13.190 -4.101 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.147 -12.565 -5.446 1.00 0.00 C ATOM 387 CG2 ILE A 24 9.882 -12.421 -2.955 1.00 0.00 C ATOM 388 CD1 ILE A 24 10.386 -11.072 -5.506 1.00 0.00 C ATOM 0 H ILE A 24 12.344 -13.893 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 24 12.375 -12.318 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 24 10.148 -14.213 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.722 -13.049 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.095 -12.765 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.800 -12.407 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.127 -12.906 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.260 -11.399 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.097 -10.697 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.791 -10.577 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.442 -10.865 -5.335 1.00 0.00 H new ATOM 400 N PRO A 25 12.716 -14.215 -1.813 1.00 0.00 N ATOM 401 CA PRO A 25 13.099 -15.283 -0.885 1.00 0.00 C ATOM 402 C PRO A 25 11.939 -16.222 -0.572 1.00 0.00 C ATOM 403 O PRO A 25 10.901 -16.187 -1.234 1.00 0.00 O ATOM 404 CB PRO A 25 13.528 -14.524 0.373 1.00 0.00 C ATOM 405 CG PRO A 25 12.792 -13.231 0.304 1.00 0.00 C ATOM 406 CD PRO A 25 12.678 -12.897 -1.158 1.00 0.00 C ATOM 0 HA PRO A 25 13.878 -15.923 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.272 -15.078 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.606 -14.365 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.807 -13.318 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.326 -12.448 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.752 -12.366 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.498 -12.260 -1.490 1.00 0.00 H new ATOM 414 N THR A 26 12.120 -17.062 0.443 1.00 0.00 N ATOM 415 CA THR A 26 11.089 -18.010 0.844 1.00 0.00 C ATOM 416 C THR A 26 10.297 -17.489 2.037 1.00 0.00 C ATOM 417 O THR A 26 10.011 -18.231 2.978 1.00 0.00 O ATOM 418 CB THR A 26 11.695 -19.380 1.202 1.00 0.00 C ATOM 419 OG1 THR A 26 12.561 -19.252 2.335 1.00 0.00 O ATOM 420 CG2 THR A 26 12.472 -19.953 0.026 1.00 0.00 C ATOM 0 H THR A 26 12.972 -17.104 1.002 1.00 0.00 H new ATOM 0 HA THR A 26 10.420 -18.129 -0.008 1.00 0.00 H new ATOM 0 HB THR A 26 10.879 -20.061 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.941 -20.128 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.890 -20.921 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.803 -20.077 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.280 -19.272 -0.243 1.00 0.00 H new ATOM 428 N THR A 27 9.944 -16.209 1.994 1.00 0.00 N ATOM 429 CA THR A 27 9.185 -15.588 3.073 1.00 0.00 C ATOM 430 C THR A 27 7.691 -15.850 2.915 1.00 0.00 C ATOM 431 O THR A 27 7.159 -15.812 1.806 1.00 0.00 O ATOM 432 CB THR A 27 9.425 -14.068 3.126 1.00 0.00 C ATOM 433 OG1 THR A 27 10.826 -13.789 3.029 1.00 0.00 O ATOM 434 CG2 THR A 27 8.874 -13.478 4.416 1.00 0.00 C ATOM 0 H THR A 27 10.172 -15.581 1.223 1.00 0.00 H new ATOM 0 HA THR A 27 9.534 -16.036 4.004 1.00 0.00 H new ATOM 0 HB THR A 27 8.905 -13.611 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.970 -12.820 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.055 -12.403 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.802 -13.666 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.370 -13.941 5.269 1.00 0.00 H new ATOM 442 N GLU A 28 7.021 -16.115 4.032 1.00 0.00 N ATOM 443 CA GLU A 28 5.587 -16.384 4.016 1.00 0.00 C ATOM 444 C GLU A 28 4.790 -15.083 4.015 1.00 0.00 C ATOM 445 O GLU A 28 3.792 -14.954 4.722 1.00 0.00 O ATOM 446 CB GLU A 28 5.192 -17.236 5.224 1.00 0.00 C ATOM 447 CG GLU A 28 5.739 -18.652 5.175 1.00 0.00 C ATOM 448 CD GLU A 28 7.181 -18.738 5.639 1.00 0.00 C ATOM 449 OE1 GLU A 28 7.406 -18.784 6.866 1.00 0.00 O ATOM 450 OE2 GLU A 28 8.082 -18.758 4.775 1.00 0.00 O ATOM 0 H GLU A 28 7.447 -16.149 4.958 1.00 0.00 H new ATOM 0 HA GLU A 28 5.356 -16.932 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.547 -16.750 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.105 -17.278 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.121 -19.298 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.666 -19.030 4.155 1.00 0.00 H new ATOM 457 N ASN A 29 5.240 -14.120 3.216 1.00 0.00 N ATOM 458 CA ASN A 29 4.571 -12.828 3.123 1.00 0.00 C ATOM 459 C ASN A 29 4.583 -12.311 1.688 1.00 0.00 C ATOM 460 O ASN A 29 5.646 -12.129 1.092 1.00 0.00 O ATOM 461 CB ASN A 29 5.244 -11.813 4.050 1.00 0.00 C ATOM 462 CG ASN A 29 4.954 -12.085 5.513 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.938 -11.641 6.049 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.848 -12.817 6.168 1.00 0.00 N ATOM 0 H ASN A 29 6.065 -14.211 2.624 1.00 0.00 H new ATOM 0 HA ASN A 29 3.535 -12.961 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.321 -11.834 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.902 -10.810 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.707 -13.032 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.676 -13.164 5.684 1.00 0.00 H new ATOM 471 N LEU A 30 3.397 -12.074 1.140 1.00 0.00 N ATOM 472 CA LEU A 30 3.271 -11.577 -0.225 1.00 0.00 C ATOM 473 C LEU A 30 2.954 -10.085 -0.234 1.00 0.00 C ATOM 474 O LEU A 30 1.988 -9.641 0.388 1.00 0.00 O ATOM 475 CB LEU A 30 2.178 -12.346 -0.971 1.00 0.00 C ATOM 476 CG LEU A 30 2.586 -13.703 -1.546 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.661 -13.531 -2.608 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.072 -14.627 -0.439 1.00 0.00 C ATOM 0 H LEU A 30 2.509 -12.218 1.620 1.00 0.00 H new ATOM 0 HA LEU A 30 4.224 -11.731 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.340 -12.499 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.815 -11.722 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 30 1.711 -14.156 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.939 -14.507 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.279 -12.906 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.537 -13.057 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.358 -15.588 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.934 -14.179 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.273 -14.776 0.287 1.00 0.00 H new ATOM 490 N TYR A 31 3.771 -9.316 -0.944 1.00 0.00 N ATOM 491 CA TYR A 31 3.578 -7.873 -1.034 1.00 0.00 C ATOM 492 C TYR A 31 3.103 -7.473 -2.427 1.00 0.00 C ATOM 493 O TYR A 31 3.766 -7.751 -3.426 1.00 0.00 O ATOM 494 CB TYR A 31 4.879 -7.142 -0.697 1.00 0.00 C ATOM 495 CG TYR A 31 5.720 -7.849 0.341 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.232 -8.076 1.622 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.003 -8.290 0.042 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.997 -8.721 2.574 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.775 -8.937 0.987 1.00 0.00 C ATOM 500 CZ TYR A 31 7.267 -9.150 2.252 1.00 0.00 C ATOM 501 OH TYR A 31 8.033 -9.794 3.197 1.00 0.00 O ATOM 0 H TYR A 31 4.574 -9.667 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 31 2.812 -7.588 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.466 -7.023 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.641 -6.141 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.237 -7.742 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.404 -8.124 -0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.602 -8.888 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.770 -9.274 0.737 1.00 0.00 H new ATOM 0 HH TYR A 31 8.901 -10.031 2.808 1.00 0.00 H new ATOM 511 N PHE A 32 1.948 -6.817 -2.485 1.00 0.00 N ATOM 512 CA PHE A 32 1.381 -6.378 -3.755 1.00 0.00 C ATOM 513 C PHE A 32 1.256 -4.858 -3.798 1.00 0.00 C ATOM 514 O PHE A 32 1.377 -4.186 -2.773 1.00 0.00 O ATOM 515 CB PHE A 32 0.010 -7.020 -3.975 1.00 0.00 C ATOM 516 CG PHE A 32 0.008 -8.510 -3.785 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.038 -9.059 -2.514 1.00 0.00 C ATOM 518 CD2 PHE A 32 0.053 -9.361 -4.878 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.040 -10.430 -2.336 1.00 0.00 C ATOM 520 CE2 PHE A 32 0.051 -10.732 -4.706 1.00 0.00 C ATOM 521 CZ PHE A 32 0.006 -11.267 -3.433 1.00 0.00 C ATOM 0 H PHE A 32 1.387 -6.578 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 32 2.054 -6.693 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.706 -6.573 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.332 -6.790 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.073 -8.409 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.090 -8.948 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.078 -10.846 -1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.085 -11.385 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.007 -12.338 -3.296 1.00 0.00 H new ATOM 531 N GLN A 33 1.015 -4.323 -4.990 1.00 0.00 N ATOM 532 CA GLN A 33 0.876 -2.882 -5.167 1.00 0.00 C ATOM 533 C GLN A 33 -0.192 -2.563 -6.208 1.00 0.00 C ATOM 534 O GLN A 33 -0.274 -3.214 -7.248 1.00 0.00 O ATOM 535 CB GLN A 33 2.212 -2.266 -5.584 1.00 0.00 C ATOM 536 CG GLN A 33 2.571 -2.520 -7.040 1.00 0.00 C ATOM 537 CD GLN A 33 3.702 -1.634 -7.525 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.312 -0.904 -6.744 1.00 0.00 O ATOM 539 NE2 GLN A 33 3.987 -1.694 -8.820 1.00 0.00 N ATOM 0 H GLN A 33 0.912 -4.865 -5.848 1.00 0.00 H new ATOM 0 HA GLN A 33 0.569 -2.452 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.177 -1.191 -5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.002 -2.667 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.855 -3.565 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.691 -2.353 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.455 -2.314 -9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.738 -1.120 -9.204 1.00 0.00 H new ATOM 548 N GLY A 34 -1.010 -1.554 -5.920 1.00 0.00 N ATOM 549 CA GLY A 34 -2.062 -1.166 -6.840 1.00 0.00 C ATOM 550 C GLY A 34 -3.362 -0.841 -6.131 1.00 0.00 C ATOM 551 O GLY A 34 -4.251 -1.687 -6.032 1.00 0.00 O ATOM 0 H GLY A 34 -0.962 -0.999 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.737 -0.297 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.232 -1.973 -7.553 1.00 0.00 H new ATOM 555 N SER A 35 -3.473 0.387 -5.636 1.00 0.00 N ATOM 556 CA SER A 35 -4.672 0.820 -4.927 1.00 0.00 C ATOM 557 C SER A 35 -5.631 1.540 -5.871 1.00 0.00 C ATOM 558 O SER A 35 -5.250 1.947 -6.968 1.00 0.00 O ATOM 559 CB SER A 35 -4.298 1.740 -3.763 1.00 0.00 C ATOM 560 OG SER A 35 -5.395 1.923 -2.885 1.00 0.00 O ATOM 0 H SER A 35 -2.748 1.100 -5.713 1.00 0.00 H new ATOM 0 HA SER A 35 -5.172 -0.066 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.457 1.315 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.972 2.706 -4.149 1.00 0.00 H new ATOM 0 HG SER A 35 -5.276 2.756 -2.382 1.00 0.00 H new ATOM 566 N SER A 36 -6.877 1.692 -5.435 1.00 0.00 N ATOM 567 CA SER A 36 -7.893 2.359 -6.241 1.00 0.00 C ATOM 568 C SER A 36 -8.158 3.769 -5.722 1.00 0.00 C ATOM 569 O SER A 36 -9.295 4.240 -5.726 1.00 0.00 O ATOM 570 CB SER A 36 -9.190 1.549 -6.237 1.00 0.00 C ATOM 571 OG SER A 36 -10.047 1.952 -7.291 1.00 0.00 O ATOM 0 H SER A 36 -7.208 1.362 -4.528 1.00 0.00 H new ATOM 0 HA SER A 36 -7.522 2.431 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.960 0.488 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.699 1.676 -5.282 1.00 0.00 H new ATOM 0 HG SER A 36 -10.253 2.906 -7.198 1.00 0.00 H new ATOM 577 N GLY A 37 -7.100 4.438 -5.276 1.00 0.00 N ATOM 578 CA GLY A 37 -7.238 5.788 -4.760 1.00 0.00 C ATOM 579 C GLY A 37 -6.402 6.022 -3.518 1.00 0.00 C ATOM 580 O GLY A 37 -5.206 6.297 -3.610 1.00 0.00 O ATOM 0 H GLY A 37 -6.149 4.070 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.945 6.500 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.286 5.981 -4.530 1.00 0.00 H new ATOM 584 N SER A 38 -7.033 5.916 -2.353 1.00 0.00 N ATOM 585 CA SER A 38 -6.340 6.125 -1.087 1.00 0.00 C ATOM 586 C SER A 38 -6.178 4.808 -0.333 1.00 0.00 C ATOM 587 O SER A 38 -6.662 3.765 -0.773 1.00 0.00 O ATOM 588 CB SER A 38 -7.104 7.130 -0.223 1.00 0.00 C ATOM 589 OG SER A 38 -6.223 7.847 0.624 1.00 0.00 O ATOM 0 H SER A 38 -8.022 5.687 -2.260 1.00 0.00 H new ATOM 0 HA SER A 38 -5.349 6.524 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.646 7.827 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.847 6.606 0.379 1.00 0.00 H new ATOM 0 HG SER A 38 -6.735 8.484 1.165 1.00 0.00 H new ATOM 595 N SER A 39 -5.494 4.865 0.805 1.00 0.00 N ATOM 596 CA SER A 39 -5.264 3.677 1.619 1.00 0.00 C ATOM 597 C SER A 39 -6.577 3.143 2.184 1.00 0.00 C ATOM 598 O SER A 39 -6.765 1.934 2.310 1.00 0.00 O ATOM 599 CB SER A 39 -4.297 3.995 2.761 1.00 0.00 C ATOM 600 OG SER A 39 -3.163 4.701 2.287 1.00 0.00 O ATOM 0 H SER A 39 -5.089 5.721 1.184 1.00 0.00 H new ATOM 0 HA SER A 39 -4.824 2.910 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.808 4.588 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.979 3.069 3.241 1.00 0.00 H new ATOM 0 HG SER A 39 -2.731 5.166 3.034 1.00 0.00 H new ATOM 606 N GLY A 40 -7.484 4.056 2.522 1.00 0.00 N ATOM 607 CA GLY A 40 -8.767 3.659 3.069 1.00 0.00 C ATOM 608 C GLY A 40 -9.532 2.735 2.142 1.00 0.00 C ATOM 609 O GLY A 40 -10.012 1.681 2.561 1.00 0.00 O ATOM 0 H GLY A 40 -7.352 5.063 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.612 3.161 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.366 4.548 3.265 1.00 0.00 H new ATOM 613 N ASP A 41 -9.648 3.130 0.879 1.00 0.00 N ATOM 614 CA ASP A 41 -10.361 2.330 -0.110 1.00 0.00 C ATOM 615 C ASP A 41 -10.034 0.849 0.051 1.00 0.00 C ATOM 616 O ASP A 41 -10.929 0.004 0.061 1.00 0.00 O ATOM 617 CB ASP A 41 -10.005 2.793 -1.524 1.00 0.00 C ATOM 618 CG ASP A 41 -10.070 1.666 -2.536 1.00 0.00 C ATOM 619 OD1 ASP A 41 -9.079 0.915 -2.651 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.112 1.535 -3.213 1.00 0.00 O ATOM 0 H ASP A 41 -9.257 3.999 0.516 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.430 2.467 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.687 3.588 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.001 3.218 -1.522 1.00 0.00 H new ATOM 625 N MET A 42 -8.747 0.542 0.175 1.00 0.00 N ATOM 626 CA MET A 42 -8.303 -0.837 0.336 1.00 0.00 C ATOM 627 C MET A 42 -9.258 -1.614 1.237 1.00 0.00 C ATOM 628 O MET A 42 -9.845 -2.612 0.820 1.00 0.00 O ATOM 629 CB MET A 42 -6.889 -0.876 0.918 1.00 0.00 C ATOM 630 CG MET A 42 -5.804 -0.554 -0.097 1.00 0.00 C ATOM 631 SD MET A 42 -5.130 -2.030 -0.883 1.00 0.00 S ATOM 632 CE MET A 42 -6.057 -2.052 -2.416 1.00 0.00 C ATOM 0 H MET A 42 -7.994 1.230 0.167 1.00 0.00 H new ATOM 0 HA MET A 42 -8.296 -1.307 -0.647 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.825 -0.167 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.703 -1.866 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.212 0.107 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.999 -0.010 0.397 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.590 -2.747 -3.114 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.081 -2.370 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.065 -1.052 -2.851 1.00 0.00 H new ATOM 642 N MET A 43 -9.406 -1.151 2.474 1.00 0.00 N ATOM 643 CA MET A 43 -10.290 -1.803 3.432 1.00 0.00 C ATOM 644 C MET A 43 -11.638 -2.127 2.796 1.00 0.00 C ATOM 645 O MET A 43 -12.242 -3.159 3.090 1.00 0.00 O ATOM 646 CB MET A 43 -10.494 -0.912 4.659 1.00 0.00 C ATOM 647 CG MET A 43 -9.205 -0.306 5.190 1.00 0.00 C ATOM 648 SD MET A 43 -9.249 -0.029 6.971 1.00 0.00 S ATOM 649 CE MET A 43 -9.166 -1.712 7.578 1.00 0.00 C ATOM 0 H MET A 43 -8.925 -0.327 2.836 1.00 0.00 H new ATOM 0 HA MET A 43 -9.821 -2.737 3.743 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.186 -0.109 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.963 -1.498 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.372 -0.966 4.950 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.018 0.641 4.684 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.309 -1.717 8.659 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.947 -2.308 7.106 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.191 -2.137 7.339 1.00 0.00 H new ATOM 659 N ARG A 44 -12.104 -1.239 1.923 1.00 0.00 N ATOM 660 CA ARG A 44 -13.381 -1.430 1.247 1.00 0.00 C ATOM 661 C ARG A 44 -13.232 -2.379 0.061 1.00 0.00 C ATOM 662 O ARG A 44 -13.810 -3.465 0.047 1.00 0.00 O ATOM 663 CB ARG A 44 -13.938 -0.087 0.772 1.00 0.00 C ATOM 664 CG ARG A 44 -14.599 0.723 1.876 1.00 0.00 C ATOM 665 CD ARG A 44 -14.452 2.217 1.635 1.00 0.00 C ATOM 666 NE ARG A 44 -15.047 2.628 0.366 1.00 0.00 N ATOM 667 CZ ARG A 44 -14.745 3.763 -0.254 1.00 0.00 C ATOM 668 NH1 ARG A 44 -13.859 4.596 0.275 1.00 0.00 N ATOM 669 NH2 ARG A 44 -15.329 4.068 -1.406 1.00 0.00 N ATOM 0 H ARG A 44 -11.616 -0.381 1.668 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.077 -1.872 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.128 0.499 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.664 -0.264 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.656 0.465 1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.154 0.463 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.925 2.764 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.395 2.483 1.643 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.732 2.009 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.408 4.366 1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.629 5.467 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.011 3.430 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.096 4.940 -1.881 1.00 0.00 H new ATOM 683 N GLU A 45 -12.454 -1.959 -0.931 1.00 0.00 N ATOM 684 CA GLU A 45 -12.230 -2.771 -2.122 1.00 0.00 C ATOM 685 C GLU A 45 -11.954 -4.224 -1.746 1.00 0.00 C ATOM 686 O GLU A 45 -12.646 -5.136 -2.199 1.00 0.00 O ATOM 687 CB GLU A 45 -11.060 -2.212 -2.935 1.00 0.00 C ATOM 688 CG GLU A 45 -11.151 -2.519 -4.421 1.00 0.00 C ATOM 689 CD GLU A 45 -12.355 -1.873 -5.078 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.448 -2.475 -5.033 1.00 0.00 O ATOM 691 OE2 GLU A 45 -12.204 -0.767 -5.637 1.00 0.00 O ATOM 0 H GLU A 45 -11.968 -1.062 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.134 -2.736 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.016 -1.132 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.128 -2.621 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.243 -2.174 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.200 -3.599 -4.563 1.00 0.00 H new ATOM 698 N ILE A 46 -10.938 -4.431 -0.915 1.00 0.00 N ATOM 699 CA ILE A 46 -10.571 -5.772 -0.477 1.00 0.00 C ATOM 700 C ILE A 46 -11.806 -6.591 -0.119 1.00 0.00 C ATOM 701 O ILE A 46 -12.103 -7.598 -0.761 1.00 0.00 O ATOM 702 CB ILE A 46 -9.627 -5.728 0.739 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.340 -4.978 0.387 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.311 -7.138 1.216 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.561 -4.514 1.598 1.00 0.00 C ATOM 0 H ILE A 46 -10.355 -3.687 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.054 -6.246 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.126 -5.195 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.705 -5.626 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.589 -4.113 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.643 -7.090 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.235 -7.641 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.829 -7.694 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.662 -3.991 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.179 -3.840 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.280 -5.377 2.203 1.00 0.00 H new ATOM 717 N ARG A 47 -12.523 -6.151 0.910 1.00 0.00 N ATOM 718 CA ARG A 47 -13.727 -6.843 1.354 1.00 0.00 C ATOM 719 C ARG A 47 -14.566 -7.292 0.162 1.00 0.00 C ATOM 720 O ARG A 47 -15.017 -8.436 0.102 1.00 0.00 O ATOM 721 CB ARG A 47 -14.557 -5.934 2.263 1.00 0.00 C ATOM 722 CG ARG A 47 -13.964 -5.753 3.650 1.00 0.00 C ATOM 723 CD ARG A 47 -14.942 -5.064 4.589 1.00 0.00 C ATOM 724 NE ARG A 47 -14.863 -3.609 4.490 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.863 -2.796 4.812 1.00 0.00 C ATOM 726 NH1 ARG A 47 -17.011 -3.293 5.252 1.00 0.00 N ATOM 727 NH2 ARG A 47 -15.715 -1.482 4.696 1.00 0.00 N ATOM 0 H ARG A 47 -12.291 -5.319 1.452 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.423 -7.726 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.659 -4.957 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.561 -6.348 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.689 -6.725 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.048 -5.165 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.957 -5.389 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.736 -5.369 5.615 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.993 -3.195 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.128 -4.302 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.777 -2.666 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.833 -1.096 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.483 -0.858 4.943 1.00 0.00 H new ATOM 741 N LYS A 48 -14.772 -6.384 -0.786 1.00 0.00 N ATOM 742 CA LYS A 48 -15.556 -6.686 -1.978 1.00 0.00 C ATOM 743 C LYS A 48 -15.151 -8.032 -2.569 1.00 0.00 C ATOM 744 O LYS A 48 -15.992 -8.903 -2.791 1.00 0.00 O ATOM 745 CB LYS A 48 -15.378 -5.583 -3.023 1.00 0.00 C ATOM 746 CG LYS A 48 -16.447 -5.589 -4.102 1.00 0.00 C ATOM 747 CD LYS A 48 -16.046 -6.460 -5.280 1.00 0.00 C ATOM 748 CE LYS A 48 -15.131 -5.714 -6.240 1.00 0.00 C ATOM 749 NZ LYS A 48 -15.038 -6.396 -7.560 1.00 0.00 N ATOM 0 H LYS A 48 -14.407 -5.432 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.606 -6.738 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.385 -4.615 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.400 -5.693 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.386 -5.952 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.624 -4.570 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.541 -7.355 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.939 -6.791 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.503 -4.699 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.136 -5.631 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.406 -5.857 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.660 -7.356 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.984 -6.452 -7.989 1.00 0.00 H new ATOM 763 N VAL A 49 -13.856 -8.196 -2.823 1.00 0.00 N ATOM 764 CA VAL A 49 -13.339 -9.438 -3.386 1.00 0.00 C ATOM 765 C VAL A 49 -13.756 -10.639 -2.545 1.00 0.00 C ATOM 766 O VAL A 49 -14.275 -11.626 -3.067 1.00 0.00 O ATOM 767 CB VAL A 49 -11.803 -9.408 -3.493 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.300 -10.603 -4.289 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.338 -8.104 -4.124 1.00 0.00 C ATOM 0 H VAL A 49 -13.146 -7.485 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.764 -9.534 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.385 -9.468 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.213 -10.565 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.602 -11.525 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.725 -10.577 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.250 -8.100 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.764 -8.011 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.666 -7.265 -3.510 1.00 0.00 H new ATOM 779 N LEU A 50 -13.525 -10.548 -1.240 1.00 0.00 N ATOM 780 CA LEU A 50 -13.877 -11.628 -0.324 1.00 0.00 C ATOM 781 C LEU A 50 -15.332 -12.047 -0.510 1.00 0.00 C ATOM 782 O LEU A 50 -15.620 -13.195 -0.842 1.00 0.00 O ATOM 783 CB LEU A 50 -13.640 -11.193 1.123 1.00 0.00 C ATOM 784 CG LEU A 50 -12.268 -10.592 1.427 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.188 -10.153 2.881 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.165 -11.591 1.109 1.00 0.00 C ATOM 0 H LEU A 50 -13.096 -9.738 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.241 -12.484 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.402 -10.461 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.787 -12.058 1.770 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.129 -9.715 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.204 -9.728 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.954 -9.403 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.349 -11.014 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.195 -11.146 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.300 -12.487 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.208 -11.857 0.053 1.00 0.00 H new ATOM 798 N GLY A 51 -16.246 -11.105 -0.294 1.00 0.00 N ATOM 799 CA GLY A 51 -17.660 -11.395 -0.444 1.00 0.00 C ATOM 800 C GLY A 51 -17.973 -12.088 -1.756 1.00 0.00 C ATOM 801 O GLY A 51 -18.803 -12.996 -1.803 1.00 0.00 O ATOM 0 H GLY A 51 -16.032 -10.147 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.989 -12.024 0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.227 -10.466 -0.383 1.00 0.00 H new ATOM 805 N ALA A 52 -17.309 -11.659 -2.824 1.00 0.00 N ATOM 806 CA ALA A 52 -17.521 -12.244 -4.141 1.00 0.00 C ATOM 807 C ALA A 52 -17.174 -13.729 -4.145 1.00 0.00 C ATOM 808 O ALA A 52 -17.877 -14.538 -4.749 1.00 0.00 O ATOM 809 CB ALA A 52 -16.697 -11.505 -5.186 1.00 0.00 C ATOM 0 H ALA A 52 -16.619 -10.908 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.578 -12.144 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.865 -11.953 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.995 -10.457 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.639 -11.575 -4.932 1.00 0.00 H new ATOM 815 N ASN A 53 -16.086 -14.079 -3.467 1.00 0.00 N ATOM 816 CA ASN A 53 -15.646 -15.468 -3.393 1.00 0.00 C ATOM 817 C ASN A 53 -16.163 -16.135 -2.122 1.00 0.00 C ATOM 818 O ASN A 53 -15.439 -16.879 -1.461 1.00 0.00 O ATOM 819 CB ASN A 53 -14.118 -15.543 -3.437 1.00 0.00 C ATOM 820 CG ASN A 53 -13.576 -15.469 -4.851 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.024 -16.441 -5.367 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.731 -14.313 -5.485 1.00 0.00 N ATOM 0 H ASN A 53 -15.493 -13.421 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.054 -15.999 -4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.700 -14.727 -2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.789 -16.473 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.386 -14.204 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.195 -13.534 -5.018 1.00 0.00 H new ATOM 829 N ASN A 54 -17.420 -15.865 -1.788 1.00 0.00 N ATOM 830 CA ASN A 54 -18.035 -16.440 -0.597 1.00 0.00 C ATOM 831 C ASN A 54 -17.042 -16.484 0.560 1.00 0.00 C ATOM 832 O ASN A 54 -16.972 -17.470 1.295 1.00 0.00 O ATOM 833 CB ASN A 54 -18.552 -17.849 -0.894 1.00 0.00 C ATOM 834 CG ASN A 54 -19.960 -17.842 -1.456 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.879 -17.289 -0.851 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.136 -18.458 -2.619 1.00 0.00 N ATOM 0 H ASN A 54 -18.033 -15.252 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.874 -15.806 -0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.883 -18.336 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.532 -18.441 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.062 -18.486 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.345 -18.903 -3.085 1.00 0.00 H new ATOM 843 N CYS A 55 -16.276 -15.410 0.717 1.00 0.00 N ATOM 844 CA CYS A 55 -15.286 -15.325 1.785 1.00 0.00 C ATOM 845 C CYS A 55 -15.760 -14.389 2.892 1.00 0.00 C ATOM 846 O CYS A 55 -16.417 -13.382 2.628 1.00 0.00 O ATOM 847 CB CYS A 55 -13.946 -14.841 1.229 1.00 0.00 C ATOM 848 SG CYS A 55 -13.088 -16.059 0.205 1.00 0.00 S ATOM 0 H CYS A 55 -16.321 -14.586 0.118 1.00 0.00 H new ATOM 0 HA CYS A 55 -15.157 -16.321 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.114 -13.940 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.299 -14.562 2.061 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.926 -16.585 -0.638 1.00 0.00 H new ATOM 854 N ASP A 56 -15.423 -14.729 4.131 1.00 0.00 N ATOM 855 CA ASP A 56 -15.814 -13.919 5.279 1.00 0.00 C ATOM 856 C ASP A 56 -14.657 -13.038 5.742 1.00 0.00 C ATOM 857 O ASP A 56 -13.501 -13.285 5.400 1.00 0.00 O ATOM 858 CB ASP A 56 -16.280 -14.816 6.428 1.00 0.00 C ATOM 859 CG ASP A 56 -17.503 -15.634 6.063 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.333 -16.740 5.510 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.630 -15.168 6.332 1.00 0.00 O ATOM 0 H ASP A 56 -14.880 -15.560 4.366 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.638 -13.274 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.470 -15.487 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.505 -14.200 7.298 1.00 0.00 H new ATOM 866 N TYR A 57 -14.978 -12.011 6.521 1.00 0.00 N ATOM 867 CA TYR A 57 -13.967 -11.092 7.028 1.00 0.00 C ATOM 868 C TYR A 57 -14.423 -10.445 8.332 1.00 0.00 C ATOM 869 O TYR A 57 -15.611 -10.189 8.528 1.00 0.00 O ATOM 870 CB TYR A 57 -13.663 -10.011 5.989 1.00 0.00 C ATOM 871 CG TYR A 57 -14.900 -9.355 5.419 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.549 -9.892 4.314 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.420 -8.198 5.986 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.679 -9.295 3.789 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.551 -7.595 5.469 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.176 -8.147 4.370 1.00 0.00 C ATOM 877 OH TYR A 57 -18.302 -7.550 3.851 1.00 0.00 O ATOM 0 H TYR A 57 -15.930 -11.794 6.815 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.060 -11.663 7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.034 -9.247 6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.088 -10.453 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.163 -10.792 3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.932 -7.762 6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.170 -9.725 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.943 -6.697 5.923 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.521 -6.752 4.376 1.00 0.00 H new ATOM 887 N GLU A 58 -13.470 -10.183 9.221 1.00 0.00 N ATOM 888 CA GLU A 58 -13.774 -9.566 10.507 1.00 0.00 C ATOM 889 C GLU A 58 -12.754 -8.482 10.845 1.00 0.00 C ATOM 890 O GLU A 58 -11.611 -8.779 11.194 1.00 0.00 O ATOM 891 CB GLU A 58 -13.796 -10.624 11.612 1.00 0.00 C ATOM 892 CG GLU A 58 -12.606 -11.568 11.575 1.00 0.00 C ATOM 893 CD GLU A 58 -12.596 -12.539 12.740 1.00 0.00 C ATOM 894 OE1 GLU A 58 -13.009 -12.140 13.849 1.00 0.00 O ATOM 895 OE2 GLU A 58 -12.174 -13.697 12.542 1.00 0.00 O ATOM 0 H GLU A 58 -12.482 -10.388 9.074 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.759 -9.104 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.823 -10.125 12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.714 -11.206 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.620 -12.128 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.685 -10.986 11.584 1.00 0.00 H new ATOM 902 N GLN A 59 -13.176 -7.227 10.738 1.00 0.00 N ATOM 903 CA GLN A 59 -12.299 -6.099 11.031 1.00 0.00 C ATOM 904 C GLN A 59 -11.816 -6.146 12.477 1.00 0.00 C ATOM 905 O GLN A 59 -12.589 -5.918 13.407 1.00 0.00 O ATOM 906 CB GLN A 59 -13.024 -4.779 10.766 1.00 0.00 C ATOM 907 CG GLN A 59 -12.104 -3.660 10.307 1.00 0.00 C ATOM 908 CD GLN A 59 -12.593 -2.290 10.733 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.797 -2.056 10.847 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.660 -1.375 10.970 1.00 0.00 N ATOM 0 H GLN A 59 -14.119 -6.965 10.451 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.431 -6.167 10.375 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.791 -4.941 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.536 -4.467 11.676 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.106 -3.827 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.017 -3.689 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.674 -1.613 10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.930 -0.435 11.259 1.00 0.00 H new ATOM 919 N ARG A 60 -10.534 -6.444 12.658 1.00 0.00 N ATOM 920 CA ARG A 60 -9.949 -6.522 13.991 1.00 0.00 C ATOM 921 C ARG A 60 -9.481 -5.148 14.462 1.00 0.00 C ATOM 922 O ARG A 60 -9.846 -4.696 15.546 1.00 0.00 O ATOM 923 CB ARG A 60 -8.774 -7.503 13.999 1.00 0.00 C ATOM 924 CG ARG A 60 -9.194 -8.957 13.865 1.00 0.00 C ATOM 925 CD ARG A 60 -9.749 -9.500 15.172 1.00 0.00 C ATOM 926 NE ARG A 60 -11.174 -9.217 15.321 1.00 0.00 N ATOM 927 CZ ARG A 60 -11.805 -9.215 16.490 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.139 -9.478 17.606 1.00 0.00 N ATOM 929 NH2 ARG A 60 -13.103 -8.948 16.545 1.00 0.00 N ATOM 0 H ARG A 60 -9.881 -6.635 11.899 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.717 -6.879 14.677 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.097 -7.252 13.182 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.215 -7.379 14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.948 -9.048 13.083 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.338 -9.557 13.555 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.587 -10.577 15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.203 -9.062 16.008 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.715 -9.009 14.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.140 -9.682 17.568 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.625 -9.476 18.503 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.618 -8.744 15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.586 -8.947 17.443 1.00 0.00 H new ATOM 943 N GLU A 61 -8.672 -4.490 13.638 1.00 0.00 N ATOM 944 CA GLU A 61 -8.154 -3.168 13.971 1.00 0.00 C ATOM 945 C GLU A 61 -8.560 -2.143 12.916 1.00 0.00 C ATOM 946 O GLU A 61 -9.181 -2.485 11.910 1.00 0.00 O ATOM 947 CB GLU A 61 -6.630 -3.210 14.097 1.00 0.00 C ATOM 948 CG GLU A 61 -6.126 -4.300 15.029 1.00 0.00 C ATOM 949 CD GLU A 61 -4.701 -4.061 15.489 1.00 0.00 C ATOM 950 OE1 GLU A 61 -3.767 -4.446 14.755 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.520 -3.490 16.585 1.00 0.00 O ATOM 0 H GLU A 61 -8.361 -4.850 12.736 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.582 -2.868 14.928 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.196 -3.360 13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.277 -2.244 14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.780 -4.360 15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.183 -5.263 14.521 1.00 0.00 H new ATOM 958 N ARG A 62 -8.203 -0.885 13.154 1.00 0.00 N ATOM 959 CA ARG A 62 -8.531 0.191 12.226 1.00 0.00 C ATOM 960 C ARG A 62 -8.055 -0.144 10.816 1.00 0.00 C ATOM 961 O ARG A 62 -8.768 0.083 9.838 1.00 0.00 O ATOM 962 CB ARG A 62 -7.900 1.504 12.691 1.00 0.00 C ATOM 963 CG ARG A 62 -6.380 1.481 12.696 1.00 0.00 C ATOM 964 CD ARG A 62 -5.803 2.856 12.993 1.00 0.00 C ATOM 965 NE ARG A 62 -4.425 2.780 13.471 1.00 0.00 N ATOM 966 CZ ARG A 62 -4.099 2.575 14.742 1.00 0.00 C ATOM 967 NH1 ARG A 62 -5.047 2.425 15.657 1.00 0.00 N ATOM 968 NH2 ARG A 62 -2.822 2.518 15.100 1.00 0.00 N ATOM 0 H ARG A 62 -7.687 -0.586 13.981 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.615 0.304 12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.241 2.311 12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.255 1.732 13.696 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.028 0.769 13.442 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.017 1.134 11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.841 3.467 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.419 3.354 13.742 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.672 2.890 12.792 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.029 2.467 15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.794 2.268 16.632 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.090 2.632 14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.573 2.361 16.076 1.00 0.00 H new ATOM 982 N PHE A 63 -6.845 -0.684 10.718 1.00 0.00 N ATOM 983 CA PHE A 63 -6.272 -1.049 9.427 1.00 0.00 C ATOM 984 C PHE A 63 -5.894 -2.527 9.398 1.00 0.00 C ATOM 985 O PHE A 63 -4.826 -2.897 8.909 1.00 0.00 O ATOM 986 CB PHE A 63 -5.041 -0.190 9.131 1.00 0.00 C ATOM 987 CG PHE A 63 -5.367 1.250 8.852 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.067 1.607 7.711 1.00 0.00 C ATOM 989 CD2 PHE A 63 -4.975 2.246 9.732 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.367 2.931 7.452 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.273 3.571 9.478 1.00 0.00 C ATOM 992 CZ PHE A 63 -5.971 3.914 8.337 1.00 0.00 C ATOM 0 H PHE A 63 -6.242 -0.879 11.517 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.025 -0.870 8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.359 -0.242 9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.514 -0.608 8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.382 0.842 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.430 1.984 10.627 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.911 3.197 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.960 4.338 10.171 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.207 4.949 8.137 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.777 -3.367 9.925 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.538 -4.806 9.960 1.00 0.00 C ATOM 1004 C LEU A 64 -7.830 -5.579 9.718 1.00 0.00 C ATOM 1005 O LEU A 64 -8.787 -5.467 10.486 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.933 -5.209 11.307 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.112 -6.499 11.314 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -6.015 -7.708 11.125 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -4.042 -6.456 10.233 1.00 0.00 C ATOM 0 H LEU A 64 -7.665 -3.077 10.334 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.835 -5.053 9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.297 -4.395 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.742 -5.313 12.030 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.619 -6.588 12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.413 -8.617 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.743 -7.748 11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.537 -7.627 10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.467 -7.382 10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.515 -6.343 9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.376 -5.612 10.413 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.851 -6.365 8.647 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.025 -7.160 8.304 1.00 0.00 C ATOM 1023 C LEU A 65 -8.667 -8.639 8.190 1.00 0.00 C ATOM 1024 O LEU A 65 -7.746 -9.011 7.463 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.632 -6.668 6.990 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.694 -5.574 7.109 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.706 -4.704 5.862 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.066 -6.188 7.347 1.00 0.00 C ATOM 0 H LEU A 65 -7.068 -6.469 8.001 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.758 -7.043 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.826 -6.297 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.074 -7.521 6.475 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.446 -4.944 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.468 -3.931 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.730 -4.236 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.929 -5.320 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.810 -5.396 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.322 -6.841 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.050 -6.768 8.270 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.403 -9.477 8.913 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.164 -10.916 8.892 1.00 0.00 C ATOM 1042 C PHE A 66 -9.752 -11.547 7.633 1.00 0.00 C ATOM 1043 O PHE A 66 -10.930 -11.903 7.597 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.768 -11.572 10.135 1.00 0.00 C ATOM 1045 CG PHE A 66 -9.151 -12.900 10.471 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.823 -12.984 10.856 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.900 -14.064 10.403 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.253 -14.205 11.165 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.336 -15.287 10.711 1.00 0.00 C ATOM 1050 CZ PHE A 66 -8.011 -15.358 11.094 1.00 0.00 C ATOM 0 H PHE A 66 -10.169 -9.185 9.520 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.086 -11.080 8.890 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.650 -10.900 10.985 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.839 -11.706 9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.226 -12.086 10.915 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.937 -14.014 10.106 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.216 -14.258 11.462 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.931 -16.187 10.652 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.568 -16.313 11.337 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.924 -11.681 6.604 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.361 -12.267 5.342 1.00 0.00 C ATOM 1062 C CYS A 67 -9.265 -13.788 5.387 1.00 0.00 C ATOM 1063 O CYS A 67 -8.177 -14.349 5.511 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.519 -11.725 4.185 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.631 -9.934 3.966 1.00 0.00 S ATOM 0 H CYS A 67 -7.946 -11.392 6.618 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.404 -11.991 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.476 -11.995 4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.832 -12.213 3.262 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.895 -9.573 2.957 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.413 -14.451 5.287 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.460 -15.908 5.318 1.00 0.00 C ATOM 1073 C VAL A 68 -11.302 -16.455 4.171 1.00 0.00 C ATOM 1074 O VAL A 68 -12.324 -15.874 3.805 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.031 -16.424 6.652 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.460 -15.938 6.844 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.964 -17.943 6.708 1.00 0.00 C ATOM 0 H VAL A 68 -11.323 -14.002 5.184 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.434 -16.260 5.211 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.424 -16.026 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.847 -16.312 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.476 -14.848 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.082 -16.305 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.372 -18.290 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.546 -18.363 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.926 -18.265 6.619 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.867 -17.578 3.607 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.583 -18.205 2.501 1.00 0.00 C ATOM 1089 C HIS A 69 -12.149 -19.559 2.919 1.00 0.00 C ATOM 1090 O HIS A 69 -11.470 -20.354 3.566 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.655 -18.377 1.298 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.216 -19.267 0.232 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.438 -19.293 -0.348 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.491 -20.281 -0.359 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.431 -20.310 -1.270 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.244 -20.890 -1.258 1.00 0.00 N flip ATOM 0 H HIS A 69 -10.023 -18.072 3.897 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.412 -17.555 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.445 -17.397 0.869 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.704 -18.787 1.639 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -13.220 -18.672 -0.139 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.468 -20.537 -0.124 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.261 -20.590 -1.902 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.399 -19.813 2.544 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.036 -21.070 2.890 1.00 0.00 C ATOM 1107 C GLY A 70 -14.731 -21.713 1.706 1.00 0.00 C ATOM 1108 O GLY A 70 -15.927 -21.511 1.495 1.00 0.00 O ATOM 0 H GLY A 70 -13.982 -19.171 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.287 -21.757 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.762 -20.899 3.685 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.980 -22.487 0.930 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.531 -23.161 -0.240 1.00 0.00 C ATOM 1114 C ASP A 71 -15.599 -24.171 0.167 1.00 0.00 C ATOM 1115 O ASP A 71 -16.615 -24.323 -0.510 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.420 -23.863 -1.022 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.961 -24.816 -2.069 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.074 -24.569 -2.578 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.271 -25.809 -2.380 1.00 0.00 O ATOM 0 H ASP A 71 -12.988 -22.663 1.090 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.993 -22.407 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.792 -23.115 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.784 -24.413 -0.329 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.361 -24.861 1.279 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.311 -25.849 1.757 1.00 0.00 C ATOM 1126 C GLY A 72 -16.094 -26.204 3.214 1.00 0.00 C ATOM 1127 O GLY A 72 -17.031 -26.178 4.013 1.00 0.00 O ATOM 0 H GLY A 72 -14.527 -24.753 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.324 -25.468 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.229 -26.751 1.150 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.856 -26.539 3.563 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.519 -26.903 4.934 1.00 0.00 C ATOM 1133 C HIS A 73 -13.081 -26.511 5.263 1.00 0.00 C ATOM 1134 O HIS A 73 -12.379 -25.936 4.432 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.713 -28.404 5.149 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.088 -28.769 5.619 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -17.264 -28.831 4.952 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -16.368 -29.125 6.921 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -18.223 -29.220 5.854 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -17.657 -29.391 7.035 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.069 -26.566 2.914 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.187 -26.359 5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.507 -28.926 4.215 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.983 -28.756 5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.646 -29.178 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -19.271 -29.363 5.634 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.134 -29.679 7.889 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.651 -26.827 6.480 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.297 -26.510 6.917 1.00 0.00 C ATOM 1151 C ALA A 74 -10.267 -26.964 5.888 1.00 0.00 C ATOM 1152 O ALA A 74 -9.307 -26.249 5.602 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.015 -27.152 8.268 1.00 0.00 C ATOM 0 H ALA A 74 -13.220 -27.302 7.180 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.218 -25.428 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.000 -26.907 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.724 -26.775 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.118 -28.234 8.185 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.474 -28.155 5.337 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.561 -28.704 4.340 1.00 0.00 C ATOM 1161 C GLU A 75 -9.176 -27.643 3.313 1.00 0.00 C ATOM 1162 O GLU A 75 -8.004 -27.487 2.976 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.199 -29.903 3.637 1.00 0.00 C ATOM 1164 CG GLU A 75 -10.560 -31.040 4.579 1.00 0.00 C ATOM 1165 CD GLU A 75 -9.375 -31.931 4.899 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -8.596 -32.236 3.971 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -9.228 -32.324 6.074 1.00 0.00 O ATOM 0 H GLU A 75 -11.265 -28.758 5.563 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.657 -29.033 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.099 -29.573 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.512 -30.276 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.960 -30.627 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.351 -31.641 4.131 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.174 -26.917 2.818 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.941 -25.872 1.828 1.00 0.00 C ATOM 1176 C ASN A 76 -10.125 -24.489 2.444 1.00 0.00 C ATOM 1177 O ASN A 76 -10.608 -23.564 1.789 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.891 -26.045 0.641 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.028 -27.494 0.216 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.060 -28.118 -0.219 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.234 -28.035 0.338 1.00 0.00 N ATOM 0 H ASN A 76 -11.151 -27.033 3.086 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.913 -25.960 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.873 -25.652 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.528 -25.455 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.387 -29.006 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.007 -27.480 0.704 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.736 -24.353 3.707 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.856 -23.082 4.413 1.00 0.00 C ATOM 1190 C LEU A 77 -8.484 -22.461 4.655 1.00 0.00 C ATOM 1191 O LEU A 77 -7.524 -23.160 4.978 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.581 -23.282 5.745 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.937 -22.009 6.514 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.317 -21.512 6.113 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.871 -22.256 8.014 1.00 0.00 C ATOM 0 H LEU A 77 -9.335 -25.108 4.263 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.436 -22.402 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.500 -23.837 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.957 -23.906 6.385 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.209 -21.239 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.553 -20.606 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.329 -21.295 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.059 -22.279 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.127 -21.339 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.576 -23.042 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.862 -22.564 8.288 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.400 -21.144 4.499 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.147 -20.428 4.704 1.00 0.00 C ATOM 1209 C VAL A 78 -7.386 -19.083 5.381 1.00 0.00 C ATOM 1210 O VAL A 78 -8.288 -18.338 4.999 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.408 -20.196 3.373 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.187 -19.316 3.586 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.015 -21.524 2.744 1.00 0.00 C ATOM 0 H VAL A 78 -9.185 -20.551 4.231 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.529 -21.052 5.350 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.082 -19.681 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.678 -19.163 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.499 -18.353 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.507 -19.800 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.494 -21.341 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.359 -22.068 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.911 -22.115 2.553 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.572 -18.780 6.387 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.696 -17.524 7.117 1.00 0.00 C ATOM 1225 C GLN A 79 -5.488 -16.627 6.867 1.00 0.00 C ATOM 1226 O GLN A 79 -4.343 -17.063 6.992 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.845 -17.793 8.615 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.167 -18.444 8.988 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.121 -19.126 10.341 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.712 -18.528 11.337 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.541 -20.385 10.385 1.00 0.00 N ATOM 0 H GLN A 79 -5.820 -19.386 6.715 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.587 -17.010 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.028 -18.435 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.748 -16.852 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.951 -17.687 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.435 -19.175 8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.872 -20.842 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.533 -20.895 11.268 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.751 -15.374 6.513 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.684 -14.416 6.244 1.00 0.00 C ATOM 1242 C TRP A 80 -5.143 -12.993 6.542 1.00 0.00 C ATOM 1243 O TRP A 80 -6.149 -12.532 6.005 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.227 -14.524 4.789 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.151 -13.843 3.825 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.059 -12.559 3.369 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.308 -14.411 3.200 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.088 -12.294 2.498 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.868 -13.414 2.377 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.923 -15.664 3.253 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.014 -13.633 1.617 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.060 -15.880 2.498 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.596 -14.870 1.689 1.00 0.00 C ATOM 0 H TRP A 80 -6.693 -14.998 6.406 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.845 -14.652 6.898 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.231 -14.090 4.695 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.143 -15.577 4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.290 -11.855 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.246 -11.407 2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.517 -16.450 3.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.429 -12.855 0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.544 -16.845 2.532 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.486 -15.071 1.111 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.398 -12.303 7.400 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.731 -10.932 7.769 1.00 0.00 C ATOM 1266 C GLU A 81 -4.140 -9.942 6.769 1.00 0.00 C ATOM 1267 O GLU A 81 -2.923 -9.865 6.601 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.219 -10.620 9.176 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.123 -11.140 10.282 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.521 -10.957 11.661 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.398 -11.454 11.889 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.172 -10.318 12.514 1.00 0.00 O ATOM 0 H GLU A 81 -3.561 -12.670 7.852 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.816 -10.832 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.226 -11.053 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.112 -9.541 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.081 -10.623 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.324 -12.198 10.115 1.00 0.00 H new ATOM 1279 N MET A 82 -5.011 -9.186 6.109 1.00 0.00 N ATOM 1280 CA MET A 82 -4.575 -8.200 5.126 1.00 0.00 C ATOM 1281 C MET A 82 -4.448 -6.819 5.762 1.00 0.00 C ATOM 1282 O MET A 82 -5.442 -6.116 5.944 1.00 0.00 O ATOM 1283 CB MET A 82 -5.559 -8.146 3.955 1.00 0.00 C ATOM 1284 CG MET A 82 -5.289 -9.194 2.888 1.00 0.00 C ATOM 1285 SD MET A 82 -6.218 -8.895 1.371 1.00 0.00 S ATOM 1286 CE MET A 82 -5.577 -7.292 0.893 1.00 0.00 C ATOM 0 H MET A 82 -6.022 -9.237 6.236 1.00 0.00 H new ATOM 0 HA MET A 82 -3.596 -8.502 4.755 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.572 -8.279 4.335 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.516 -7.156 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.223 -9.209 2.660 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.545 -10.179 3.278 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.975 -7.017 -0.084 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.876 -6.546 1.630 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.489 -7.336 0.842 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.220 -6.438 6.097 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.964 -5.141 6.714 1.00 0.00 C ATOM 1298 C GLU A 83 -2.463 -4.137 5.680 1.00 0.00 C ATOM 1299 O GLU A 83 -1.639 -4.466 4.827 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.942 -5.281 7.844 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.539 -3.955 8.467 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.866 -4.125 9.815 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -1.548 -4.559 10.767 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.341 -3.824 9.919 1.00 0.00 O ATOM 0 H GLU A 83 -2.387 -7.008 5.952 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.903 -4.772 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.356 -5.926 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.052 -5.777 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.863 -3.431 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.423 -3.329 8.583 1.00 0.00 H new ATOM 1311 N VAL A 84 -2.966 -2.909 5.764 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.570 -1.856 4.837 1.00 0.00 C ATOM 1313 C VAL A 84 -1.331 -1.121 5.337 1.00 0.00 C ATOM 1314 O VAL A 84 -1.430 -0.184 6.130 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.706 -0.838 4.625 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.265 0.264 3.672 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -4.955 -1.534 4.106 1.00 0.00 C ATOM 0 H VAL A 84 -3.648 -2.619 6.465 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.344 -2.340 3.887 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.945 -0.381 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.081 0.974 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.400 0.781 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.998 -0.173 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.747 -0.800 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.733 -2.019 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.281 -2.283 4.828 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.165 -1.553 4.869 1.00 0.00 N ATOM 1328 CA CYS A 85 1.095 -0.936 5.270 1.00 0.00 C ATOM 1329 C CYS A 85 1.347 0.346 4.483 1.00 0.00 C ATOM 1330 O CYS A 85 0.526 0.755 3.662 1.00 0.00 O ATOM 1331 CB CYS A 85 2.253 -1.912 5.061 1.00 0.00 C ATOM 1332 SG CYS A 85 2.618 -2.944 6.501 1.00 0.00 S ATOM 0 H CYS A 85 -0.066 -2.327 4.212 1.00 0.00 H new ATOM 0 HA CYS A 85 1.028 -0.684 6.328 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.021 -2.558 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.147 -1.347 4.796 1.00 0.00 H new ATOM 0 HG CYS A 85 3.610 -3.738 6.226 1.00 0.00 H new ATOM 1338 N LYS A 86 2.487 0.978 4.741 1.00 0.00 N ATOM 1339 CA LYS A 86 2.848 2.215 4.059 1.00 0.00 C ATOM 1340 C LYS A 86 4.307 2.186 3.616 1.00 0.00 C ATOM 1341 O LYS A 86 5.218 2.307 4.436 1.00 0.00 O ATOM 1342 CB LYS A 86 2.606 3.417 4.975 1.00 0.00 C ATOM 1343 CG LYS A 86 2.351 4.712 4.224 1.00 0.00 C ATOM 1344 CD LYS A 86 0.864 4.976 4.057 1.00 0.00 C ATOM 1345 CE LYS A 86 0.353 4.462 2.720 1.00 0.00 C ATOM 1346 NZ LYS A 86 0.627 5.423 1.615 1.00 0.00 N ATOM 0 H LYS A 86 3.177 0.653 5.418 1.00 0.00 H new ATOM 0 HA LYS A 86 2.219 2.309 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.752 3.206 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.471 3.548 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.811 5.542 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.825 4.665 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.315 4.495 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.673 6.046 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.824 3.505 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.720 4.281 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.270 5.821 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.234 6.191 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.108 4.929 0.837 1.00 0.00 H new ATOM 1360 N LEU A 87 4.523 2.026 2.315 1.00 0.00 N ATOM 1361 CA LEU A 87 5.872 1.982 1.762 1.00 0.00 C ATOM 1362 C LEU A 87 6.752 3.059 2.389 1.00 0.00 C ATOM 1363 O LEU A 87 6.268 4.050 2.936 1.00 0.00 O ATOM 1364 CB LEU A 87 5.829 2.163 0.244 1.00 0.00 C ATOM 1365 CG LEU A 87 5.553 0.902 -0.575 1.00 0.00 C ATOM 1366 CD1 LEU A 87 5.263 1.259 -2.025 1.00 0.00 C ATOM 1367 CD2 LEU A 87 6.729 -0.060 -0.485 1.00 0.00 C ATOM 0 H LEU A 87 3.781 1.925 1.623 1.00 0.00 H new ATOM 0 HA LEU A 87 6.301 1.007 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.062 2.900 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.783 2.580 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 87 4.673 0.409 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.069 0.349 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.389 1.909 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.123 1.776 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.515 -0.952 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.626 0.424 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.890 -0.342 0.556 1.00 0.00 H new ATOM 1379 N PRO A 88 8.076 2.862 2.307 1.00 0.00 N ATOM 1380 CA PRO A 88 9.052 3.807 2.859 1.00 0.00 C ATOM 1381 C PRO A 88 9.099 5.115 2.076 1.00 0.00 C ATOM 1382 O PRO A 88 9.181 6.196 2.660 1.00 0.00 O ATOM 1383 CB PRO A 88 10.382 3.059 2.731 1.00 0.00 C ATOM 1384 CG PRO A 88 10.171 2.103 1.608 1.00 0.00 C ATOM 1385 CD PRO A 88 8.723 1.703 1.670 1.00 0.00 C ATOM 0 HA PRO A 88 8.807 4.096 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.203 3.744 2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.633 2.537 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.407 2.568 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.821 1.233 1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.316 1.511 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.582 0.793 2.253 1.00 0.00 H new ATOM 1393 N ARG A 89 9.046 5.009 0.753 1.00 0.00 N ATOM 1394 CA ARG A 89 9.083 6.184 -0.109 1.00 0.00 C ATOM 1395 C ARG A 89 7.672 6.636 -0.474 1.00 0.00 C ATOM 1396 O ARG A 89 7.459 7.266 -1.511 1.00 0.00 O ATOM 1397 CB ARG A 89 9.879 5.885 -1.381 1.00 0.00 C ATOM 1398 CG ARG A 89 11.371 5.720 -1.142 1.00 0.00 C ATOM 1399 CD ARG A 89 11.730 4.272 -0.847 1.00 0.00 C ATOM 1400 NE ARG A 89 13.100 3.956 -1.243 1.00 0.00 N ATOM 1401 CZ ARG A 89 13.625 2.738 -1.169 1.00 0.00 C ATOM 1402 NH1 ARG A 89 12.898 1.726 -0.716 1.00 0.00 N ATOM 1403 NH2 ARG A 89 14.879 2.531 -1.549 1.00 0.00 N ATOM 0 H ARG A 89 8.977 4.122 0.254 1.00 0.00 H new ATOM 0 HA ARG A 89 9.574 6.989 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.490 4.975 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.721 6.692 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.921 6.061 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.679 6.350 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.607 4.078 0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.039 3.613 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 89 13.686 4.713 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.933 1.882 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.303 0.792 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.441 3.307 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.281 1.595 -1.492 1.00 0.00 H new ATOM 1417 N LEU A 90 6.712 6.310 0.385 1.00 0.00 N ATOM 1418 CA LEU A 90 5.321 6.682 0.153 1.00 0.00 C ATOM 1419 C LEU A 90 4.990 6.655 -1.335 1.00 0.00 C ATOM 1420 O LEU A 90 4.167 7.436 -1.813 1.00 0.00 O ATOM 1421 CB LEU A 90 5.042 8.074 0.724 1.00 0.00 C ATOM 1422 CG LEU A 90 5.086 8.196 2.248 1.00 0.00 C ATOM 1423 CD1 LEU A 90 4.260 7.096 2.895 1.00 0.00 C ATOM 1424 CD2 LEU A 90 6.524 8.149 2.745 1.00 0.00 C ATOM 0 H LEU A 90 6.871 5.789 1.248 1.00 0.00 H new ATOM 0 HA LEU A 90 4.688 5.954 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.768 8.770 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.058 8.394 0.382 1.00 0.00 H new ATOM 0 HG LEU A 90 4.657 9.157 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.303 7.199 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.225 7.176 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.659 6.124 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.537 8.237 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.979 7.203 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.087 8.973 2.308 1.00 0.00 H new ATOM 1436 N SER A 91 5.635 5.749 -2.063 1.00 0.00 N ATOM 1437 CA SER A 91 5.410 5.620 -3.498 1.00 0.00 C ATOM 1438 C SER A 91 4.022 5.054 -3.782 1.00 0.00 C ATOM 1439 O SER A 91 3.428 5.330 -4.826 1.00 0.00 O ATOM 1440 CB SER A 91 6.478 4.721 -4.124 1.00 0.00 C ATOM 1441 OG SER A 91 6.046 4.211 -5.374 1.00 0.00 O ATOM 0 H SER A 91 6.318 5.093 -1.683 1.00 0.00 H new ATOM 0 HA SER A 91 5.476 6.613 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.401 5.286 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.704 3.895 -3.449 1.00 0.00 H new ATOM 0 HG SER A 91 6.746 3.641 -5.754 1.00 0.00 H new ATOM 1447 N LEU A 92 3.510 4.262 -2.847 1.00 0.00 N ATOM 1448 CA LEU A 92 2.192 3.656 -2.995 1.00 0.00 C ATOM 1449 C LEU A 92 1.631 3.234 -1.641 1.00 0.00 C ATOM 1450 O LEU A 92 2.261 3.442 -0.605 1.00 0.00 O ATOM 1451 CB LEU A 92 2.267 2.446 -3.928 1.00 0.00 C ATOM 1452 CG LEU A 92 2.290 2.754 -5.426 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.317 1.467 -6.235 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.090 3.606 -5.814 1.00 0.00 C ATOM 0 H LEU A 92 3.988 4.024 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 92 1.524 4.400 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.163 1.877 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.413 1.801 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 92 3.197 3.317 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.333 1.706 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.208 0.894 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.429 0.877 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.123 3.815 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.171 3.070 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.115 4.544 -5.260 1.00 0.00 H new ATOM 1466 N ASN A 93 0.444 2.637 -1.657 1.00 0.00 N ATOM 1467 CA ASN A 93 -0.201 2.184 -0.430 1.00 0.00 C ATOM 1468 C ASN A 93 0.438 0.894 0.075 1.00 0.00 C ATOM 1469 O ASN A 93 0.692 0.741 1.269 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.697 1.966 -0.666 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.333 3.107 -1.437 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.185 3.084 -2.757 1.00 0.00 O flip ATOM 1473 ND2 ASN A 93 -2.949 3.999 -0.853 1.00 0.00 N flip ATOM 0 H ASN A 93 -0.091 2.456 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.068 2.956 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.844 1.035 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.201 1.854 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.038 3.977 0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.370 4.760 -1.385 1.00 0.00 H new ATOM 1480 N GLY A 94 0.696 -0.032 -0.843 1.00 0.00 N ATOM 1481 CA GLY A 94 1.304 -1.297 -0.471 1.00 0.00 C ATOM 1482 C GLY A 94 0.364 -2.179 0.326 1.00 0.00 C ATOM 1483 O GLY A 94 -0.350 -1.701 1.208 1.00 0.00 O ATOM 0 H GLY A 94 0.495 0.071 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.617 -1.825 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.203 -1.106 0.115 1.00 0.00 H new ATOM 1487 N VAL A 95 0.362 -3.472 0.015 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.498 -4.423 0.708 1.00 0.00 C ATOM 1489 C VAL A 95 0.238 -5.730 0.983 1.00 0.00 C ATOM 1490 O VAL A 95 0.524 -6.498 0.064 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.772 -4.725 -0.104 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.690 -5.659 0.669 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.492 -3.434 -0.463 1.00 0.00 C ATOM 0 H VAL A 95 0.946 -3.884 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.781 -3.962 1.654 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.483 -5.223 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.584 -5.861 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.170 -6.595 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.975 -5.191 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.390 -3.665 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.770 -2.907 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.833 -2.804 -1.060 1.00 0.00 H new ATOM 1503 N ARG A 96 0.541 -5.977 2.253 1.00 0.00 N ATOM 1504 CA ARG A 96 1.244 -7.191 2.648 1.00 0.00 C ATOM 1505 C ARG A 96 0.270 -8.231 3.194 1.00 0.00 C ATOM 1506 O ARG A 96 -0.740 -7.888 3.809 1.00 0.00 O ATOM 1507 CB ARG A 96 2.306 -6.870 3.702 1.00 0.00 C ATOM 1508 CG ARG A 96 3.180 -8.059 4.068 1.00 0.00 C ATOM 1509 CD ARG A 96 2.643 -8.790 5.288 1.00 0.00 C ATOM 1510 NE ARG A 96 3.073 -8.163 6.535 1.00 0.00 N ATOM 1511 CZ ARG A 96 2.406 -8.270 7.679 1.00 0.00 C ATOM 1512 NH1 ARG A 96 1.286 -8.976 7.734 1.00 0.00 N ATOM 1513 NH2 ARG A 96 2.861 -7.670 8.772 1.00 0.00 N ATOM 0 H ARG A 96 0.311 -5.352 3.026 1.00 0.00 H new ATOM 0 HA ARG A 96 1.730 -7.603 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.940 -6.064 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.813 -6.502 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.232 -8.747 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.196 -7.718 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.554 -8.809 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.981 -9.826 5.268 1.00 0.00 H new ATOM 0 HE ARG A 96 3.932 -7.613 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.934 -9.439 6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.776 -9.056 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.723 -7.126 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.348 -7.753 9.650 1.00 0.00 H new ATOM 1527 N PHE A 97 0.579 -9.502 2.963 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.270 -10.592 3.430 1.00 0.00 C ATOM 1529 C PHE A 97 0.442 -11.418 4.497 1.00 0.00 C ATOM 1530 O PHE A 97 1.671 -11.494 4.523 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.672 -11.491 2.258 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.605 -10.827 1.286 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.251 -9.641 0.666 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.837 -11.391 0.994 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.107 -9.027 -0.229 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.697 -10.782 0.100 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.333 -9.599 -0.512 1.00 0.00 C ATOM 0 H PHE A 97 1.411 -9.803 2.455 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.167 -10.157 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.227 -11.808 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.147 -12.392 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.294 -9.190 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.128 -12.316 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.818 -8.102 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.654 -11.231 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.005 -9.122 -1.210 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.338 -12.034 5.379 1.00 0.00 N ATOM 1548 CA LYS A 98 0.215 -12.855 6.449 1.00 0.00 C ATOM 1549 C LYS A 98 -0.504 -14.197 6.533 1.00 0.00 C ATOM 1550 O LYS A 98 -1.734 -14.252 6.553 1.00 0.00 O ATOM 1551 CB LYS A 98 0.108 -12.122 7.788 1.00 0.00 C ATOM 1552 CG LYS A 98 0.709 -12.891 8.952 1.00 0.00 C ATOM 1553 CD LYS A 98 0.796 -12.033 10.203 1.00 0.00 C ATOM 1554 CE LYS A 98 -0.498 -12.076 11.000 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.579 -10.965 11.988 1.00 0.00 N ATOM 0 H LYS A 98 -1.357 -11.980 5.373 1.00 0.00 H new ATOM 0 HA LYS A 98 1.266 -13.040 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.607 -11.156 7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.942 -11.921 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.104 -13.774 9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.705 -13.243 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.620 -12.380 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.019 -11.003 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.346 -12.018 10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.572 -13.031 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.574 -10.794 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.047 -11.222 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.173 -10.102 11.574 1.00 0.00 H new ATOM 1569 N ARG A 99 0.270 -15.276 6.584 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.295 -16.618 6.666 1.00 0.00 C ATOM 1571 C ARG A 99 -0.667 -16.964 8.105 1.00 0.00 C ATOM 1572 O ARG A 99 0.199 -17.278 8.922 1.00 0.00 O ATOM 1573 CB ARG A 99 0.700 -17.646 6.124 1.00 0.00 C ATOM 1574 CG ARG A 99 0.089 -19.018 5.886 1.00 0.00 C ATOM 1575 CD ARG A 99 0.861 -19.797 4.833 1.00 0.00 C ATOM 1576 NE ARG A 99 2.121 -20.320 5.354 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.224 -21.468 6.013 1.00 0.00 C ATOM 1578 NH1 ARG A 99 1.146 -22.210 6.231 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.406 -21.877 6.456 1.00 0.00 N ATOM 0 H ARG A 99 1.290 -15.247 6.570 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.200 -16.643 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.118 -17.276 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.528 -17.743 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.078 -19.580 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.948 -18.906 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.248 -20.622 4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.062 -19.151 3.979 1.00 0.00 H new ATOM 0 HE ARG A 99 2.969 -19.773 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.236 -21.899 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.228 -23.092 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.237 -21.309 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.484 -22.759 6.962 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.960 -16.903 8.406 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.446 -17.210 9.746 1.00 0.00 C ATOM 1595 C ILE A 100 -2.409 -18.711 10.013 1.00 0.00 C ATOM 1596 O ILE A 100 -1.888 -19.157 11.035 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.884 -16.698 9.954 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.925 -15.173 9.847 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.419 -17.156 11.302 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.034 -14.472 10.849 1.00 0.00 C ATOM 0 H ILE A 100 -2.689 -16.644 7.741 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.783 -16.702 10.447 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.520 -17.115 9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.627 -14.879 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.952 -14.835 9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.436 -16.786 11.434 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.421 -18.245 11.342 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.784 -16.765 12.097 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.114 -13.393 10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.345 -14.736 11.860 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.000 -14.781 10.695 1.00 0.00 H new ATOM 1612 N SER A 101 -2.964 -19.486 9.086 1.00 0.00 N ATOM 1613 CA SER A 101 -2.996 -20.937 9.222 1.00 0.00 C ATOM 1614 C SER A 101 -3.576 -21.587 7.970 1.00 0.00 C ATOM 1615 O SER A 101 -4.179 -20.919 7.132 1.00 0.00 O ATOM 1616 CB SER A 101 -3.822 -21.337 10.447 1.00 0.00 C ATOM 1617 OG SER A 101 -3.461 -22.629 10.905 1.00 0.00 O ATOM 0 H SER A 101 -3.397 -19.133 8.233 1.00 0.00 H new ATOM 0 HA SER A 101 -1.972 -21.288 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.671 -20.610 11.245 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.883 -21.320 10.196 1.00 0.00 H new ATOM 0 HG SER A 101 -4.001 -22.861 11.689 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.388 -22.898 7.850 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.897 -23.619 6.698 1.00 0.00 C ATOM 1625 C GLY A 102 -2.791 -24.101 5.780 1.00 0.00 C ATOM 1626 O GLY A 102 -1.620 -24.116 6.161 1.00 0.00 O ATOM 0 H GLY A 102 -2.892 -23.474 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.481 -24.474 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.573 -22.973 6.139 1.00 0.00 H new ATOM 1630 N THR A 103 -3.161 -24.498 4.567 1.00 0.00 N ATOM 1631 CA THR A 103 -2.193 -24.986 3.594 1.00 0.00 C ATOM 1632 C THR A 103 -1.666 -23.850 2.725 1.00 0.00 C ATOM 1633 O THR A 103 -2.407 -22.936 2.364 1.00 0.00 O ATOM 1634 CB THR A 103 -2.806 -26.069 2.686 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.891 -25.519 1.931 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.301 -27.249 3.509 1.00 0.00 C ATOM 0 H THR A 103 -4.125 -24.491 4.235 1.00 0.00 H new ATOM 0 HA THR A 103 -1.368 -25.420 4.160 1.00 0.00 H new ATOM 0 HB THR A 103 -2.032 -26.421 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.274 -26.213 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.730 -28.001 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.467 -27.684 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.062 -26.909 4.212 1.00 0.00 H new ATOM 1644 N SER A 104 -0.380 -23.913 2.392 1.00 0.00 N ATOM 1645 CA SER A 104 0.247 -22.887 1.568 1.00 0.00 C ATOM 1646 C SER A 104 -0.443 -22.783 0.211 1.00 0.00 C ATOM 1647 O SER A 104 -0.788 -21.691 -0.241 1.00 0.00 O ATOM 1648 CB SER A 104 1.733 -23.196 1.375 1.00 0.00 C ATOM 1649 OG SER A 104 2.377 -23.401 2.620 1.00 0.00 O ATOM 0 H SER A 104 0.247 -24.664 2.680 1.00 0.00 H new ATOM 0 HA SER A 104 0.146 -21.931 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.845 -24.084 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.213 -22.373 0.845 1.00 0.00 H new ATOM 0 HG SER A 104 3.325 -23.598 2.469 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.641 -23.928 -0.434 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.290 -23.967 -1.739 1.00 0.00 C ATOM 1657 C ILE A 105 -2.437 -22.965 -1.812 1.00 0.00 C ATOM 1658 O ILE A 105 -2.373 -21.986 -2.556 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.831 -25.373 -2.056 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.676 -26.364 -2.216 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.686 -25.340 -3.314 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.358 -25.928 -3.230 1.00 0.00 C ATOM 0 H ILE A 105 -0.361 -24.841 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.532 -23.703 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.455 -25.702 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.190 -26.502 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.078 -27.333 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.061 -26.341 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.526 -24.662 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.084 -24.993 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.147 -26.678 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.114 -25.817 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.787 -24.974 -2.924 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.484 -23.214 -1.033 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.644 -22.332 -1.007 1.00 0.00 C ATOM 1676 C ALA A 106 -4.224 -20.879 -0.811 1.00 0.00 C ATOM 1677 O ALA A 106 -4.762 -19.975 -1.450 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.607 -22.758 0.091 1.00 0.00 C ATOM 0 H ALA A 106 -3.553 -24.020 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.151 -22.410 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.469 -22.090 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.941 -23.779 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.103 -22.710 1.056 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.260 -20.661 0.078 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.769 -19.318 0.359 1.00 0.00 C ATOM 1686 C PHE A 107 -2.432 -18.580 -0.933 1.00 0.00 C ATOM 1687 O PHE A 107 -2.860 -17.444 -1.143 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.534 -19.381 1.260 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.173 -18.061 1.878 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.940 -17.527 2.901 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.068 -17.352 1.435 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.611 -16.312 3.472 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.266 -16.137 2.003 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.507 -15.616 3.021 1.00 0.00 C ATOM 0 H PHE A 107 -2.804 -21.398 0.616 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.559 -18.771 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.710 -20.108 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.687 -19.743 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.805 -18.067 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.539 -17.753 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.216 -15.908 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.131 -15.596 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.249 -14.666 3.464 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.662 -19.233 -1.796 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.266 -18.641 -3.069 1.00 0.00 C ATOM 1706 C LYS A 108 -2.414 -18.692 -4.073 1.00 0.00 C ATOM 1707 O LYS A 108 -2.734 -17.693 -4.714 1.00 0.00 O ATOM 1708 CB LYS A 108 -0.046 -19.369 -3.636 1.00 0.00 C ATOM 1709 CG LYS A 108 1.227 -19.135 -2.841 1.00 0.00 C ATOM 1710 CD LYS A 108 1.397 -20.172 -1.744 1.00 0.00 C ATOM 1711 CE LYS A 108 2.853 -20.301 -1.320 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.263 -19.201 -0.404 1.00 0.00 N ATOM 0 H LYS A 108 -1.299 -20.173 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.008 -17.597 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.254 -20.439 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.114 -19.046 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.087 -19.168 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.204 -18.138 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.789 -19.895 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.032 -21.137 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.004 -21.261 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.491 -20.294 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.261 -19.324 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.143 -18.286 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.672 -19.223 0.451 1.00 0.00 H new ATOM 1726 N ASN A 109 -3.029 -19.863 -4.201 1.00 0.00 N ATOM 1727 CA ASN A 109 -4.142 -20.044 -5.126 1.00 0.00 C ATOM 1728 C ASN A 109 -5.177 -18.936 -4.955 1.00 0.00 C ATOM 1729 O ASN A 109 -5.706 -18.409 -5.935 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.799 -21.408 -4.907 1.00 0.00 C ATOM 1731 CG ASN A 109 -4.076 -22.522 -5.640 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.055 -23.084 -5.003 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -4.431 -22.872 -6.765 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.776 -20.700 -3.676 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.749 -19.997 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.819 -21.632 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.835 -21.368 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.221 -22.412 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.935 -23.622 -7.246 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.461 -18.587 -3.705 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.431 -17.541 -3.406 1.00 0.00 C ATOM 1742 C ILE A 110 -5.783 -16.161 -3.452 1.00 0.00 C ATOM 1743 O ILE A 110 -6.438 -15.167 -3.766 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.073 -17.747 -2.021 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.184 -16.721 -1.791 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.019 -17.649 -0.929 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.434 -16.992 -2.599 1.00 0.00 C ATOM 0 H ILE A 110 -5.033 -19.013 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.206 -17.602 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.513 -18.744 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.442 -16.708 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.808 -15.729 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.488 -17.797 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.260 -18.415 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.552 -16.664 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.179 -16.225 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.191 -16.976 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.834 -17.970 -2.333 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.493 -16.108 -3.140 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.755 -14.851 -3.150 1.00 0.00 C ATOM 1761 C ALA A 111 -3.773 -14.215 -4.536 1.00 0.00 C ATOM 1762 O ALA A 111 -3.936 -13.003 -4.671 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.322 -15.076 -2.689 1.00 0.00 C ATOM 0 H ALA A 111 -3.937 -16.921 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.244 -14.166 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.783 -14.129 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.325 -15.479 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.831 -15.782 -3.359 1.00 0.00 H new ATOM 1769 N SER A 112 -3.603 -15.041 -5.564 1.00 0.00 N ATOM 1770 CA SER A 112 -3.595 -14.559 -6.940 1.00 0.00 C ATOM 1771 C SER A 112 -4.907 -13.856 -7.276 1.00 0.00 C ATOM 1772 O SER A 112 -4.913 -12.782 -7.878 1.00 0.00 O ATOM 1773 CB SER A 112 -3.362 -15.719 -7.908 1.00 0.00 C ATOM 1774 OG SER A 112 -3.453 -15.286 -9.255 1.00 0.00 O ATOM 0 H SER A 112 -3.469 -16.048 -5.469 1.00 0.00 H new ATOM 0 HA SER A 112 -2.781 -13.841 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.379 -16.155 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.097 -16.503 -7.724 1.00 0.00 H new ATOM 0 HG SER A 112 -3.299 -16.046 -9.854 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.018 -14.470 -6.883 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.337 -13.906 -7.140 1.00 0.00 C ATOM 1782 C LYS A 113 -7.488 -12.546 -6.467 1.00 0.00 C ATOM 1783 O LYS A 113 -7.767 -11.544 -7.126 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.427 -14.857 -6.643 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.587 -16.101 -7.500 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.999 -16.657 -7.419 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.900 -16.045 -8.480 1.00 0.00 C ATOM 1788 NZ LYS A 113 -12.324 -16.439 -8.293 1.00 0.00 N ATOM 0 H LYS A 113 -6.031 -15.360 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.444 -13.773 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.197 -15.157 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.377 -14.323 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.348 -15.863 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.877 -16.861 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.973 -17.740 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.413 -16.459 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.816 -14.959 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.563 -16.359 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.939 -15.766 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.473 -17.394 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -12.556 -16.433 -7.279 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.300 -12.518 -5.152 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.413 -11.280 -4.390 1.00 0.00 C ATOM 1804 C ILE A 114 -6.609 -10.160 -5.041 1.00 0.00 C ATOM 1805 O ILE A 114 -7.098 -9.041 -5.196 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.932 -11.466 -2.939 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.725 -12.581 -2.254 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.065 -10.163 -2.166 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.192 -12.256 -2.075 1.00 0.00 C ATOM 0 H ILE A 114 -7.069 -13.338 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.469 -11.009 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.880 -11.751 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.632 -13.495 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.284 -12.783 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.721 -10.311 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.460 -9.393 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.109 -9.851 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.692 -13.090 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.294 -11.360 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.648 -12.083 -3.050 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.374 -10.469 -5.421 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.503 -9.489 -6.059 1.00 0.00 C ATOM 1823 C ALA A 115 -5.103 -8.992 -7.370 1.00 0.00 C ATOM 1824 O ALA A 115 -5.278 -7.791 -7.568 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.124 -10.086 -6.300 1.00 0.00 C ATOM 0 H ALA A 115 -4.954 -11.390 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.405 -8.635 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.484 -9.343 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.686 -10.385 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.213 -10.958 -6.948 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.416 -9.926 -8.263 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.995 -9.582 -9.557 1.00 0.00 C ATOM 1833 C ASN A 116 -7.242 -8.720 -9.383 1.00 0.00 C ATOM 1834 O ASN A 116 -7.363 -7.657 -9.990 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.344 -10.852 -10.336 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.113 -11.557 -10.872 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.155 -10.916 -11.304 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -5.135 -12.885 -10.847 1.00 0.00 N ATOM 0 H ASN A 116 -5.279 -10.926 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.255 -9.011 -10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.896 -11.533 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.003 -10.597 -11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.336 -13.415 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.951 -13.375 -10.480 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.166 -9.187 -8.549 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.404 -8.459 -8.295 1.00 0.00 C ATOM 1847 C GLU A 117 -9.111 -7.042 -7.809 1.00 0.00 C ATOM 1848 O GLU A 117 -9.806 -6.093 -8.173 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.255 -9.200 -7.262 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.724 -10.568 -7.727 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.262 -10.548 -9.145 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.007 -9.606 -9.485 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.938 -11.477 -9.915 1.00 0.00 O ATOM 0 H GLU A 117 -8.081 -10.066 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.958 -8.396 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.678 -9.316 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.125 -8.591 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.894 -11.272 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.500 -10.931 -7.053 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.080 -6.908 -6.983 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.694 -5.608 -6.444 1.00 0.00 C ATOM 1862 C LEU A 118 -6.826 -4.843 -7.438 1.00 0.00 C ATOM 1863 O LEU A 118 -6.109 -3.914 -7.066 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.943 -5.783 -5.123 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.811 -5.934 -3.873 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.029 -6.613 -2.760 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.326 -4.578 -3.415 1.00 0.00 C ATOM 0 H LEU A 118 -7.496 -7.684 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.602 -5.033 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.303 -6.662 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.287 -4.923 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.668 -6.560 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.662 -6.712 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.710 -7.601 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.153 -6.013 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.942 -4.704 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.482 -3.928 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.923 -4.129 -4.208 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.898 -5.238 -8.705 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.122 -4.588 -9.755 1.00 0.00 C ATOM 1881 C LYS A 119 -4.684 -4.356 -9.303 1.00 0.00 C ATOM 1882 O LYS A 119 -4.087 -3.322 -9.606 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.767 -3.256 -10.143 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.925 -3.401 -11.116 1.00 0.00 C ATOM 1885 CD LYS A 119 -9.214 -3.765 -10.397 1.00 0.00 C ATOM 1886 CE LYS A 119 -10.370 -3.923 -11.373 1.00 0.00 C ATOM 1887 NZ LYS A 119 -10.439 -5.301 -11.933 1.00 0.00 N ATOM 0 H LYS A 119 -7.486 -6.006 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.110 -5.246 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.122 -2.757 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.009 -2.611 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.062 -2.467 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.689 -4.169 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.074 -4.694 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.456 -2.992 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.307 -3.689 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.259 -3.206 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.240 -5.368 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.555 -5.515 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.570 -5.984 -11.160 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.132 -5.324 -8.580 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.762 -5.225 -8.088 1.00 0.00 C ATOM 1903 C LEU A 120 -1.783 -5.853 -9.075 1.00 0.00 C ATOM 1904 O LEU A 120 -2.168 -6.670 -9.912 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.638 -5.909 -6.725 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.438 -5.279 -5.584 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.466 -6.205 -4.378 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -2.854 -3.926 -5.206 1.00 0.00 C ATOM 0 H LEU A 120 -4.612 -6.186 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.516 -4.169 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.951 -6.947 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.586 -5.921 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.462 -5.127 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.039 -5.740 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.931 -7.151 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.447 -6.388 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.436 -3.493 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.820 -4.053 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.887 -3.262 -6.069 1.00 0.00 H new ATOM 1920 N SER A 121 -0.515 -5.468 -8.970 1.00 0.00 N ATOM 1921 CA SER A 121 0.519 -5.991 -9.854 1.00 0.00 C ATOM 1922 C SER A 121 0.310 -7.481 -10.112 1.00 0.00 C ATOM 1923 O SER A 121 0.079 -7.899 -11.245 1.00 0.00 O ATOM 1924 CB SER A 121 1.904 -5.756 -9.248 1.00 0.00 C ATOM 1925 OG SER A 121 2.438 -4.511 -9.663 1.00 0.00 O ATOM 0 H SER A 121 -0.179 -4.795 -8.281 1.00 0.00 H new ATOM 0 HA SER A 121 0.452 -5.462 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.838 -5.782 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.576 -6.561 -9.546 1.00 0.00 H new ATOM 0 HG SER A 121 3.323 -4.384 -9.261 1.00 0.00 H new ATOM 1931 N GLY A 122 0.395 -8.276 -9.050 1.00 0.00 N ATOM 1932 CA GLY A 122 0.213 -9.710 -9.181 1.00 0.00 C ATOM 1933 C GLY A 122 1.493 -10.424 -9.568 1.00 0.00 C ATOM 1934 O GLY A 122 1.672 -10.849 -10.710 1.00 0.00 O ATOM 0 H GLY A 122 0.587 -7.953 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.154 -10.114 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.552 -9.909 -9.932 1.00 0.00 H new ATOM 1938 N PRO A 123 2.414 -10.562 -8.602 1.00 0.00 N ATOM 1939 CA PRO A 123 3.701 -11.227 -8.824 1.00 0.00 C ATOM 1940 C PRO A 123 3.548 -12.731 -9.029 1.00 0.00 C ATOM 1941 O PRO A 123 3.044 -13.438 -8.157 1.00 0.00 O ATOM 1942 CB PRO A 123 4.476 -10.939 -7.536 1.00 0.00 C ATOM 1943 CG PRO A 123 3.426 -10.719 -6.503 1.00 0.00 C ATOM 1944 CD PRO A 123 2.268 -10.079 -7.219 1.00 0.00 C ATOM 0 HA PRO A 123 4.197 -10.866 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.125 -11.773 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.114 -10.062 -7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.128 -11.661 -6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.794 -10.076 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.313 -10.379 -6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.314 -8.991 -7.166 1.00 0.00 H new ATOM 1952 N SER A 124 3.988 -13.213 -10.187 1.00 0.00 N ATOM 1953 CA SER A 124 3.897 -14.633 -10.507 1.00 0.00 C ATOM 1954 C SER A 124 5.156 -15.372 -10.064 1.00 0.00 C ATOM 1955 O SER A 124 6.255 -15.089 -10.540 1.00 0.00 O ATOM 1956 CB SER A 124 3.681 -14.826 -12.010 1.00 0.00 C ATOM 1957 OG SER A 124 3.800 -16.191 -12.371 1.00 0.00 O ATOM 0 H SER A 124 4.411 -12.642 -10.919 1.00 0.00 H new ATOM 0 HA SER A 124 3.045 -15.047 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.694 -14.458 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.410 -14.235 -12.564 1.00 0.00 H new ATOM 0 HG SER A 124 3.656 -16.288 -13.336 1.00 0.00 H new ATOM 1963 N SER A 125 4.986 -16.321 -9.149 1.00 0.00 N ATOM 1964 CA SER A 125 6.108 -17.098 -8.637 1.00 0.00 C ATOM 1965 C SER A 125 5.878 -18.591 -8.854 1.00 0.00 C ATOM 1966 O SER A 125 5.458 -19.305 -7.944 1.00 0.00 O ATOM 1967 CB SER A 125 6.316 -16.814 -7.148 1.00 0.00 C ATOM 1968 OG SER A 125 6.941 -15.557 -6.951 1.00 0.00 O ATOM 0 H SER A 125 4.082 -16.570 -8.747 1.00 0.00 H new ATOM 0 HA SER A 125 7.003 -16.802 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.355 -16.830 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.927 -17.601 -6.706 1.00 0.00 H new ATOM 0 HG SER A 125 7.061 -15.398 -5.991 1.00 0.00 H new ATOM 1974 N GLY A 126 6.157 -19.056 -10.068 1.00 0.00 N ATOM 1975 CA GLY A 126 5.975 -20.461 -10.384 1.00 0.00 C ATOM 1976 C GLY A 126 4.595 -20.964 -10.013 1.00 0.00 C ATOM 1977 O GLY A 126 3.646 -20.819 -10.784 1.00 0.00 O ATOM 0 H GLY A 126 6.506 -18.485 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 126 6.140 -20.615 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.727 -21.049 -9.857 1.00 0.00 H new TER 1981 GLY A 126