USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 13 GLN :FLIP amide:sc= -4.28! C(o=-11!,f=-4.6!) USER MOD Set 1.2: A 29 MET CE :methyl -137:sc= -0.353 (180deg=-0.266) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.634 USER MOD Single : A 15 ASN : amide:sc= -11.7! C(o=-12!,f=-21!) USER MOD Single : A 19 SER OG : rot 45:sc= 0.246 USER MOD Single : A 20 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3.2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.303 USER MOD Single : A 37 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.101 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.988) USER MOD Single : A 54 THR OG1 : rot 49:sc= 0.668 USER MOD Single : A 55 SER OG : rot -76:sc= -0.525! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.614 K(o=-0.61,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 163:sc= -10.7! (180deg=-13.7!) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.297) USER MOD Single : A 79 HIS : no HE2:sc= -22.9! C(o=-23!,f=-26!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -10.7! C(o=-17!,f=-11!) USER MOD Single : A 85 SER OG : rot -99:sc= -0.0734! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS :FLIP no HD1:sc= -0.594 F(o=-1.8!,f=-0.59) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0455 USER MOD Single : A1052 NAG O3 : rot 7:sc= -0.27 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot -25:sc= 0.0154 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot -154:sc= 1.19 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.861 28.000 -2.218 1.00 0.00 N ATOM 2 CA ALA A 1 1.950 26.524 -2.365 1.00 0.00 C ATOM 3 C ALA A 1 0.705 25.843 -1.806 1.00 0.00 C ATOM 4 O ALA A 1 0.449 25.884 -0.603 1.00 0.00 O ATOM 5 CB ALA A 1 3.196 25.998 -1.668 1.00 0.00 C ATOM 0 H1 ALA A 1 2.720 28.440 -2.606 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.029 28.351 -2.734 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.772 28.244 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 1 2.016 26.293 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.248 24.915 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.081 26.454 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.153 26.248 -0.608 1.00 0.00 H new ATOM 13 N PRO A 2 -0.085 25.203 -2.681 1.00 0.00 N ATOM 14 CA PRO A 2 -1.311 24.506 -2.278 1.00 0.00 C ATOM 15 C PRO A 2 -1.070 23.537 -1.126 1.00 0.00 C ATOM 16 O PRO A 2 0.069 23.173 -0.837 1.00 0.00 O ATOM 17 CB PRO A 2 -1.714 23.743 -3.541 1.00 0.00 C ATOM 18 CG PRO A 2 -1.126 24.529 -4.661 1.00 0.00 C ATOM 19 CD PRO A 2 0.158 25.108 -4.131 1.00 0.00 C ATOM 0 HA PRO A 2 -2.075 25.195 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.329 22.723 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.798 23.673 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.940 23.894 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.806 25.318 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.011 24.467 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.370 26.084 -4.568 1.00 0.00 H new ATOM 27 N ASP A 3 -2.150 23.119 -0.472 1.00 0.00 N ATOM 28 CA ASP A 3 -2.049 22.188 0.645 1.00 0.00 C ATOM 29 C ASP A 3 -1.679 20.795 0.147 1.00 0.00 C ATOM 30 O ASP A 3 -0.674 20.221 0.565 1.00 0.00 O ATOM 31 CB ASP A 3 -3.368 22.138 1.418 1.00 0.00 C ATOM 32 CG ASP A 3 -3.531 20.851 2.203 1.00 0.00 C ATOM 33 OD1 ASP A 3 -4.055 19.871 1.634 1.00 0.00 O ATOM 34 OD2 ASP A 3 -3.131 20.823 3.387 1.00 0.00 O ATOM 0 H ASP A 3 -3.102 23.410 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.264 22.538 1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.418 22.986 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.199 22.242 0.720 1.00 0.00 H new ATOM 39 N VAL A 4 -2.498 20.260 -0.753 1.00 0.00 N ATOM 40 CA VAL A 4 -2.258 18.937 -1.316 1.00 0.00 C ATOM 41 C VAL A 4 -2.573 17.838 -0.311 1.00 0.00 C ATOM 42 O VAL A 4 -1.925 17.731 0.731 1.00 0.00 O ATOM 43 CB VAL A 4 -0.799 18.780 -1.780 1.00 0.00 C ATOM 44 CG1 VAL A 4 -0.632 17.512 -2.602 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.354 20.000 -2.571 1.00 0.00 C ATOM 0 H VAL A 4 -3.334 20.723 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.922 18.841 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.165 18.698 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.406 17.419 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.905 16.647 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.278 17.559 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.680 19.869 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.992 20.118 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.431 20.888 -1.944 1.00 0.00 H new ATOM 55 N GLN A 5 -3.565 17.015 -0.634 1.00 0.00 N ATOM 56 CA GLN A 5 -3.955 15.916 0.239 1.00 0.00 C ATOM 57 C GLN A 5 -2.825 14.898 0.343 1.00 0.00 C ATOM 58 O GLN A 5 -1.888 14.916 -0.454 1.00 0.00 O ATOM 59 CB GLN A 5 -5.223 15.242 -0.286 1.00 0.00 C ATOM 60 CG GLN A 5 -5.165 14.898 -1.765 1.00 0.00 C ATOM 61 CD GLN A 5 -6.293 13.980 -2.194 1.00 0.00 C ATOM 62 OE1 GLN A 5 -6.228 12.766 -2.003 1.00 0.00 O ATOM 63 NE2 GLN A 5 -7.336 14.558 -2.780 1.00 0.00 N ATOM 0 H GLN A 5 -4.112 17.089 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.159 16.318 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.401 14.330 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.074 15.900 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.207 15.817 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.210 14.422 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.348 15.569 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.125 13.991 -3.091 1.00 0.00 H new ATOM 72 N ASP A 6 -2.915 14.014 1.330 1.00 0.00 N ATOM 73 CA ASP A 6 -1.891 12.996 1.529 1.00 0.00 C ATOM 74 C ASP A 6 -2.513 11.662 1.924 1.00 0.00 C ATOM 75 O ASP A 6 -3.700 11.427 1.702 1.00 0.00 O ATOM 76 CB ASP A 6 -0.898 13.446 2.603 1.00 0.00 C ATOM 77 CG ASP A 6 0.519 13.544 2.073 1.00 0.00 C ATOM 78 OD1 ASP A 6 0.703 14.099 0.970 1.00 0.00 O ATOM 79 OD2 ASP A 6 1.444 13.064 2.761 1.00 0.00 O ATOM 0 H ASP A 6 -3.682 13.981 2.001 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.362 12.862 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.205 14.416 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.924 12.743 3.436 1.00 0.00 H new ATOM 84 N CYS A 7 -1.698 10.793 2.510 1.00 0.00 N ATOM 85 CA CYS A 7 -2.159 9.480 2.937 1.00 0.00 C ATOM 86 C CYS A 7 -2.180 9.387 4.460 1.00 0.00 C ATOM 87 O CYS A 7 -1.387 8.663 5.062 1.00 0.00 O ATOM 88 CB CYS A 7 -1.258 8.392 2.354 1.00 0.00 C ATOM 89 SG CYS A 7 -2.086 7.321 1.133 1.00 0.00 S ATOM 0 H CYS A 7 -0.713 10.976 2.700 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.175 9.333 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.395 8.863 1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.879 7.773 3.168 1.00 0.00 H new ATOM 94 N PRO A 8 -3.097 10.128 5.098 1.00 0.00 N ATOM 95 CA PRO A 8 -3.238 10.148 6.555 1.00 0.00 C ATOM 96 C PRO A 8 -3.304 8.747 7.153 1.00 0.00 C ATOM 97 O PRO A 8 -4.383 8.175 7.303 1.00 0.00 O ATOM 98 CB PRO A 8 -4.559 10.896 6.791 1.00 0.00 C ATOM 99 CG PRO A 8 -5.189 11.054 5.444 1.00 0.00 C ATOM 100 CD PRO A 8 -4.068 11.010 4.447 1.00 0.00 C ATOM 0 HA PRO A 8 -2.380 10.622 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.210 10.336 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.381 11.866 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.909 10.257 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.732 11.997 5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.395 10.613 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.654 12.000 4.259 1.00 0.00 H new ATOM 108 N GLU A 9 -2.140 8.207 7.499 1.00 0.00 N ATOM 109 CA GLU A 9 -2.052 6.876 8.089 1.00 0.00 C ATOM 110 C GLU A 9 -2.737 5.831 7.214 1.00 0.00 C ATOM 111 O GLU A 9 -3.897 5.984 6.835 1.00 0.00 O ATOM 112 CB GLU A 9 -2.669 6.871 9.487 1.00 0.00 C ATOM 113 CG GLU A 9 -1.807 6.167 10.522 1.00 0.00 C ATOM 114 CD GLU A 9 -2.626 5.522 11.623 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.474 4.663 11.305 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.419 5.877 12.802 1.00 0.00 O ATOM 0 H GLU A 9 -1.241 8.673 7.380 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.996 6.617 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.839 7.900 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.644 6.385 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.204 5.405 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.115 6.885 10.962 1.00 0.00 H new ATOM 123 N CYS A 10 -2.006 4.766 6.901 1.00 0.00 N ATOM 124 CA CYS A 10 -2.530 3.686 6.072 1.00 0.00 C ATOM 125 C CYS A 10 -3.944 3.301 6.492 1.00 0.00 C ATOM 126 O CYS A 10 -4.195 2.996 7.658 1.00 0.00 O ATOM 127 CB CYS A 10 -1.616 2.461 6.159 1.00 0.00 C ATOM 128 SG CYS A 10 -0.684 2.115 4.632 1.00 0.00 S ATOM 0 H CYS A 10 -1.044 4.627 7.211 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.563 4.043 5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.910 2.605 6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.219 1.588 6.409 1.00 0.00 H new ATOM 133 N THR A 11 -4.863 3.299 5.532 1.00 0.00 N ATOM 134 CA THR A 11 -6.243 2.932 5.798 1.00 0.00 C ATOM 135 C THR A 11 -6.928 2.553 4.497 1.00 0.00 C ATOM 136 O THR A 11 -6.267 2.178 3.529 1.00 0.00 O ATOM 137 CB THR A 11 -6.994 4.076 6.483 1.00 0.00 C ATOM 138 OG1 THR A 11 -8.289 3.657 6.876 1.00 0.00 O ATOM 139 CG2 THR A 11 -7.155 5.301 5.610 1.00 0.00 C ATOM 0 H THR A 11 -4.673 3.549 4.561 1.00 0.00 H new ATOM 0 HA THR A 11 -6.252 2.076 6.473 1.00 0.00 H new ATOM 0 HB THR A 11 -6.383 4.345 7.345 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.284 2.692 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.696 6.071 6.160 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.172 5.679 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.713 5.037 4.712 1.00 0.00 H new ATOM 147 N LEU A 12 -8.247 2.648 4.470 1.00 0.00 N ATOM 148 CA LEU A 12 -8.996 2.304 3.271 1.00 0.00 C ATOM 149 C LEU A 12 -9.837 3.466 2.788 1.00 0.00 C ATOM 150 O LEU A 12 -10.307 4.281 3.582 1.00 0.00 O ATOM 151 CB LEU A 12 -9.918 1.123 3.540 1.00 0.00 C ATOM 152 CG LEU A 12 -9.236 -0.235 3.616 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.800 -0.094 4.086 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.018 -1.144 4.541 1.00 0.00 C ATOM 0 H LEU A 12 -8.818 2.957 5.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.267 2.047 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.442 1.300 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.673 1.088 2.755 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.215 -0.676 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.334 -1.078 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.249 0.536 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.784 0.362 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.529 -2.116 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.058 -0.702 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.031 -1.268 4.158 1.00 0.00 H new ATOM 166 N GLN A 13 -10.058 3.516 1.484 1.00 0.00 N ATOM 167 CA GLN A 13 -10.885 4.560 0.915 1.00 0.00 C ATOM 168 C GLN A 13 -12.176 3.988 0.396 1.00 0.00 C ATOM 169 O GLN A 13 -12.505 4.107 -0.783 1.00 0.00 O ATOM 170 CB GLN A 13 -10.191 5.311 -0.194 1.00 0.00 C ATOM 171 CG GLN A 13 -8.914 4.663 -0.694 1.00 0.00 C ATOM 172 CD GLN A 13 -8.006 5.651 -1.399 1.00 0.00 C ATOM 173 OE1 GLN A 13 -7.742 6.779 -0.746 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 -7.549 5.407 -2.516 1.00 0.00 N flip ATOM 0 H GLN A 13 -9.679 2.852 0.808 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.088 5.266 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.881 5.416 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.959 6.317 0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.381 4.219 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.164 3.851 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.778 4.528 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.941 6.084 -2.977 1.00 0.00 H new ATOM 183 N GLU A 14 -12.879 3.360 1.304 1.00 0.00 N ATOM 184 CA GLU A 14 -14.156 2.723 1.014 1.00 0.00 C ATOM 185 C GLU A 14 -14.603 3.009 -0.402 1.00 0.00 C ATOM 186 O GLU A 14 -14.725 4.159 -0.827 1.00 0.00 O ATOM 187 CB GLU A 14 -15.239 3.161 1.987 1.00 0.00 C ATOM 188 CG GLU A 14 -16.614 2.608 1.642 1.00 0.00 C ATOM 189 CD GLU A 14 -17.694 3.670 1.690 1.00 0.00 C ATOM 190 OE1 GLU A 14 -17.347 4.864 1.811 1.00 0.00 O ATOM 191 OE2 GLU A 14 -18.887 3.309 1.607 1.00 0.00 O ATOM 0 H GLU A 14 -12.586 3.271 2.277 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.002 1.650 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.967 2.839 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.286 4.250 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.586 2.168 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.865 1.807 2.337 1.00 0.00 H new ATOM 198 N ASN A 15 -14.834 1.939 -1.112 1.00 0.00 N ATOM 199 CA ASN A 15 -15.257 1.995 -2.493 1.00 0.00 C ATOM 200 C ASN A 15 -16.415 2.955 -2.703 1.00 0.00 C ATOM 201 O ASN A 15 -17.560 2.642 -2.378 1.00 0.00 O ATOM 202 CB ASN A 15 -15.658 0.608 -2.953 1.00 0.00 C ATOM 203 CG ASN A 15 -15.285 0.351 -4.390 1.00 0.00 C ATOM 204 OD1 ASN A 15 -16.120 0.421 -5.291 1.00 0.00 O ATOM 205 ND2 ASN A 15 -14.019 0.054 -4.603 1.00 0.00 N ATOM 0 H ASN A 15 -14.734 0.991 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.416 2.364 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.178 -0.136 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.734 0.485 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.691 -0.131 -5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.367 0.009 -3.820 1.00 0.00 H new ATOM 212 N PRO A 16 -16.140 4.127 -3.289 1.00 0.00 N ATOM 213 CA PRO A 16 -17.175 5.111 -3.583 1.00 0.00 C ATOM 214 C PRO A 16 -17.978 4.684 -4.803 1.00 0.00 C ATOM 215 O PRO A 16 -18.693 5.479 -5.414 1.00 0.00 O ATOM 216 CB PRO A 16 -16.379 6.381 -3.867 1.00 0.00 C ATOM 217 CG PRO A 16 -15.079 5.894 -4.410 1.00 0.00 C ATOM 218 CD PRO A 16 -14.809 4.567 -3.745 1.00 0.00 C ATOM 0 HA PRO A 16 -17.897 5.237 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.894 7.020 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.235 6.970 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.128 5.783 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.279 6.604 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.368 3.853 -4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.114 4.671 -2.911 1.00 0.00 H new ATOM 226 N PHE A 17 -17.838 3.406 -5.144 1.00 0.00 N ATOM 227 CA PHE A 17 -18.522 2.815 -6.280 1.00 0.00 C ATOM 228 C PHE A 17 -19.336 1.612 -5.832 1.00 0.00 C ATOM 229 O PHE A 17 -20.547 1.544 -6.043 1.00 0.00 O ATOM 230 CB PHE A 17 -17.507 2.367 -7.330 1.00 0.00 C ATOM 231 CG PHE A 17 -18.151 1.790 -8.554 1.00 0.00 C ATOM 232 CD1 PHE A 17 -18.890 2.595 -9.402 1.00 0.00 C ATOM 233 CD2 PHE A 17 -18.027 0.443 -8.850 1.00 0.00 C ATOM 234 CE1 PHE A 17 -19.496 2.069 -10.526 1.00 0.00 C ATOM 235 CE2 PHE A 17 -18.630 -0.090 -9.973 1.00 0.00 C ATOM 236 CZ PHE A 17 -19.365 0.724 -10.812 1.00 0.00 C ATOM 0 H PHE A 17 -17.243 2.752 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.186 3.564 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.889 3.218 -7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.841 1.624 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -18.994 3.647 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.453 -0.197 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -20.071 2.708 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -18.527 -1.142 -10.194 1.00 0.00 H new ATOM 0 HZ PHE A 17 -19.837 0.310 -11.691 1.00 0.00 H new ATOM 246 N PHE A 18 -18.648 0.666 -5.204 1.00 0.00 N ATOM 247 CA PHE A 18 -19.278 -0.547 -4.708 1.00 0.00 C ATOM 248 C PHE A 18 -20.187 -0.225 -3.533 1.00 0.00 C ATOM 249 O PHE A 18 -21.070 -1.006 -3.181 1.00 0.00 O ATOM 250 CB PHE A 18 -18.212 -1.552 -4.274 1.00 0.00 C ATOM 251 CG PHE A 18 -18.408 -2.927 -4.838 1.00 0.00 C ATOM 252 CD1 PHE A 18 -19.655 -3.523 -4.814 1.00 0.00 C ATOM 253 CD2 PHE A 18 -17.345 -3.621 -5.393 1.00 0.00 C ATOM 254 CE1 PHE A 18 -19.845 -4.789 -5.336 1.00 0.00 C ATOM 255 CE2 PHE A 18 -17.526 -4.888 -5.916 1.00 0.00 C ATOM 256 CZ PHE A 18 -18.779 -5.472 -5.888 1.00 0.00 C ATOM 0 H PHE A 18 -17.645 0.719 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.875 -0.982 -5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.233 -1.182 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -18.206 -1.614 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -20.491 -2.993 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.365 -3.168 -5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.825 -5.243 -5.312 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -16.690 -5.420 -6.346 1.00 0.00 H new ATOM 0 HZ PHE A 18 -18.924 -6.461 -6.297 1.00 0.00 H new ATOM 266 N SER A 19 -19.957 0.934 -2.926 1.00 0.00 N ATOM 267 CA SER A 19 -20.746 1.365 -1.785 1.00 0.00 C ATOM 268 C SER A 19 -22.231 1.154 -2.041 1.00 0.00 C ATOM 269 O SER A 19 -22.861 1.894 -2.796 1.00 0.00 O ATOM 270 CB SER A 19 -20.470 2.833 -1.464 1.00 0.00 C ATOM 271 OG SER A 19 -20.573 3.640 -2.624 1.00 0.00 O ATOM 0 H SER A 19 -19.229 1.590 -3.208 1.00 0.00 H new ATOM 0 HA SER A 19 -20.455 0.759 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 19 -21.177 3.182 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.473 2.933 -1.036 1.00 0.00 H new ATOM 0 HG SER A 19 -21.376 3.389 -3.127 1.00 0.00 H new ATOM 277 N GLN A 20 -22.778 0.134 -1.400 1.00 0.00 N ATOM 278 CA GLN A 20 -24.189 -0.201 -1.537 1.00 0.00 C ATOM 279 C GLN A 20 -24.868 -0.180 -0.176 1.00 0.00 C ATOM 280 O GLN A 20 -24.201 -0.264 0.855 1.00 0.00 O ATOM 281 CB GLN A 20 -24.341 -1.590 -2.163 1.00 0.00 C ATOM 282 CG GLN A 20 -24.720 -1.567 -3.633 1.00 0.00 C ATOM 283 CD GLN A 20 -26.156 -1.995 -3.870 1.00 0.00 C ATOM 284 OE1 GLN A 20 -26.879 -1.378 -4.652 1.00 0.00 O ATOM 285 NE2 GLN A 20 -26.577 -3.057 -3.191 1.00 0.00 N ATOM 0 H GLN A 20 -22.261 -0.483 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 20 -24.661 0.539 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -23.403 -2.133 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -25.100 -2.145 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -24.575 -0.561 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -24.052 -2.226 -4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -25.943 -3.538 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -27.534 -3.391 -3.308 1.00 0.00 H new ATOM 294 N PRO A 21 -26.206 -0.082 -0.149 1.00 0.00 N ATOM 295 CA PRO A 21 -26.965 -0.072 1.102 1.00 0.00 C ATOM 296 C PRO A 21 -26.723 -1.348 1.898 1.00 0.00 C ATOM 297 O PRO A 21 -27.633 -2.151 2.103 1.00 0.00 O ATOM 298 CB PRO A 21 -28.428 0.012 0.648 1.00 0.00 C ATOM 299 CG PRO A 21 -28.419 -0.401 -0.786 1.00 0.00 C ATOM 300 CD PRO A 21 -27.079 0.011 -1.327 1.00 0.00 C ATOM 0 HA PRO A 21 -26.677 0.751 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -29.063 -0.645 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -28.818 1.023 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -28.565 -1.477 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -29.227 0.081 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -26.747 -0.649 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -27.101 1.022 -1.734 1.00 0.00 H new ATOM 308 N GLY A 22 -25.479 -1.530 2.328 1.00 0.00 N ATOM 309 CA GLY A 22 -25.115 -2.712 3.082 1.00 0.00 C ATOM 310 C GLY A 22 -23.765 -3.265 2.674 1.00 0.00 C ATOM 311 O GLY A 22 -23.312 -4.271 3.220 1.00 0.00 O ATOM 0 H GLY A 22 -24.714 -0.875 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.100 -2.471 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.877 -3.479 2.940 1.00 0.00 H new ATOM 315 N ALA A 23 -23.119 -2.616 1.708 1.00 0.00 N ATOM 316 CA ALA A 23 -21.817 -3.072 1.238 1.00 0.00 C ATOM 317 C ALA A 23 -20.975 -1.932 0.707 1.00 0.00 C ATOM 318 O ALA A 23 -21.156 -1.451 -0.411 1.00 0.00 O ATOM 319 CB ALA A 23 -21.993 -4.155 0.190 1.00 0.00 C ATOM 0 H ALA A 23 -23.473 -1.781 1.241 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.280 -3.489 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.015 -4.490 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.532 -4.997 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.559 -3.757 -0.653 1.00 0.00 H new ATOM 325 N PRO A 24 -20.057 -1.476 1.554 1.00 0.00 N ATOM 326 CA PRO A 24 -19.159 -0.378 1.293 1.00 0.00 C ATOM 327 C PRO A 24 -17.723 -0.819 1.058 1.00 0.00 C ATOM 328 O PRO A 24 -16.872 -0.695 1.937 1.00 0.00 O ATOM 329 CB PRO A 24 -19.283 0.367 2.616 1.00 0.00 C ATOM 330 CG PRO A 24 -19.500 -0.710 3.650 1.00 0.00 C ATOM 331 CD PRO A 24 -19.839 -1.973 2.906 1.00 0.00 C ATOM 0 HA PRO A 24 -19.401 0.187 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.384 0.944 2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.116 1.070 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.605 -0.848 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.306 -0.435 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.029 -2.701 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.727 -2.460 3.310 1.00 0.00 H new ATOM 339 N ILE A 25 -17.465 -1.331 -0.134 1.00 0.00 N ATOM 340 CA ILE A 25 -16.149 -1.790 -0.512 1.00 0.00 C ATOM 341 C ILE A 25 -15.065 -0.776 -0.175 1.00 0.00 C ATOM 342 O ILE A 25 -15.321 0.214 0.508 1.00 0.00 O ATOM 343 CB ILE A 25 -16.154 -2.130 -2.001 1.00 0.00 C ATOM 344 CG1 ILE A 25 -16.975 -3.385 -2.191 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.752 -2.361 -2.517 1.00 0.00 C ATOM 346 CD1 ILE A 25 -16.696 -4.383 -1.099 1.00 0.00 C ATOM 0 H ILE A 25 -18.168 -1.438 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.911 -2.684 0.065 1.00 0.00 H new ATOM 0 HB ILE A 25 -16.579 -1.295 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.035 -3.133 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -16.749 -3.829 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.790 -2.601 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.157 -1.460 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.296 -3.189 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -17.300 -5.276 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.640 -4.651 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.947 -3.945 -0.133 1.00 0.00 H new ATOM 358 N LEU A 26 -13.836 -1.067 -0.594 1.00 0.00 N ATOM 359 CA LEU A 26 -12.702 -0.223 -0.267 1.00 0.00 C ATOM 360 C LEU A 26 -11.638 -0.196 -1.322 1.00 0.00 C ATOM 361 O LEU A 26 -11.852 -0.533 -2.483 1.00 0.00 O ATOM 362 CB LEU A 26 -12.093 -0.778 0.988 1.00 0.00 C ATOM 363 CG LEU A 26 -12.991 -1.782 1.651 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.178 -2.866 2.328 1.00 0.00 C ATOM 365 CD2 LEU A 26 -13.924 -1.092 2.628 1.00 0.00 C ATOM 0 H LEU A 26 -13.605 -1.883 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.068 0.799 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.138 -1.246 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.885 0.037 1.682 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.603 -2.262 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.849 -3.582 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.566 -3.378 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.533 -2.418 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.569 -1.833 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.338 -0.581 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.537 -0.365 2.095 1.00 0.00 H new ATOM 377 N GLN A 27 -10.476 0.215 -0.864 1.00 0.00 N ATOM 378 CA GLN A 27 -9.305 0.306 -1.719 1.00 0.00 C ATOM 379 C GLN A 27 -8.204 1.150 -1.077 1.00 0.00 C ATOM 380 O GLN A 27 -7.868 2.227 -1.563 1.00 0.00 O ATOM 381 CB GLN A 27 -9.710 0.870 -3.077 1.00 0.00 C ATOM 382 CG GLN A 27 -8.563 1.482 -3.863 1.00 0.00 C ATOM 383 CD GLN A 27 -8.633 1.151 -5.341 1.00 0.00 C ATOM 384 OE1 GLN A 27 -9.451 1.706 -6.075 1.00 0.00 O ATOM 385 NE2 GLN A 27 -7.775 0.241 -5.784 1.00 0.00 N ATOM 0 H GLN A 27 -10.313 0.494 0.103 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.896 -0.695 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.158 0.073 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.479 1.628 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.575 2.564 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.617 1.124 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.114 -0.193 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.776 -0.024 -6.769 1.00 0.00 H new ATOM 394 N CYS A 28 -7.652 0.627 0.017 1.00 0.00 N ATOM 395 CA CYS A 28 -6.574 1.281 0.767 1.00 0.00 C ATOM 396 C CYS A 28 -6.474 2.775 0.468 1.00 0.00 C ATOM 397 O CYS A 28 -6.210 3.179 -0.663 1.00 0.00 O ATOM 398 CB CYS A 28 -5.233 0.610 0.459 1.00 0.00 C ATOM 399 SG CYS A 28 -4.245 0.207 1.935 1.00 0.00 S ATOM 0 H CYS A 28 -7.940 -0.268 0.413 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.815 1.171 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.418 -0.306 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.650 1.267 -0.187 1.00 0.00 H new ATOM 404 N MET A 29 -6.673 3.594 1.497 1.00 0.00 N ATOM 405 CA MET A 29 -6.597 5.041 1.344 1.00 0.00 C ATOM 406 C MET A 29 -5.277 5.596 1.875 1.00 0.00 C ATOM 407 O MET A 29 -4.317 5.769 1.124 1.00 0.00 O ATOM 408 CB MET A 29 -7.770 5.711 2.063 1.00 0.00 C ATOM 409 CG MET A 29 -7.521 7.170 2.415 1.00 0.00 C ATOM 410 SD MET A 29 -9.047 8.123 2.539 1.00 0.00 S ATOM 411 CE MET A 29 -9.031 8.994 0.974 1.00 0.00 C ATOM 0 H MET A 29 -6.888 3.280 2.443 1.00 0.00 H new ATOM 0 HA MET A 29 -6.650 5.263 0.278 1.00 0.00 H new ATOM 0 HB2 MET A 29 -8.656 5.645 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 29 -7.988 5.158 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.985 7.225 3.362 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.878 7.618 1.658 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.323 10.032 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.028 8.960 0.549 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.732 8.521 0.287 1.00 0.00 H new ATOM 421 N GLY A 30 -5.247 5.887 3.170 1.00 0.00 N ATOM 422 CA GLY A 30 -4.056 6.439 3.791 1.00 0.00 C ATOM 423 C GLY A 30 -2.795 5.651 3.490 1.00 0.00 C ATOM 424 O GLY A 30 -2.832 4.646 2.779 1.00 0.00 O ATOM 0 H GLY A 30 -6.032 5.749 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.922 7.466 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.203 6.476 4.870 1.00 0.00 H new ATOM 428 N CYS A 31 -1.677 6.116 4.044 1.00 0.00 N ATOM 429 CA CYS A 31 -0.382 5.470 3.851 1.00 0.00 C ATOM 430 C CYS A 31 0.592 5.874 4.956 1.00 0.00 C ATOM 431 O CYS A 31 0.445 6.934 5.565 1.00 0.00 O ATOM 432 CB CYS A 31 0.203 5.840 2.485 1.00 0.00 C ATOM 433 SG CYS A 31 -0.955 5.634 1.094 1.00 0.00 S ATOM 0 H CYS A 31 -1.644 6.946 4.636 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.533 4.391 3.892 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.537 6.877 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.085 5.226 2.302 1.00 0.00 H new ATOM 438 N CYS A 32 1.586 5.027 5.213 1.00 0.00 N ATOM 439 CA CYS A 32 2.579 5.307 6.247 1.00 0.00 C ATOM 440 C CYS A 32 3.638 6.280 5.736 1.00 0.00 C ATOM 441 O CYS A 32 3.551 6.770 4.610 1.00 0.00 O ATOM 442 CB CYS A 32 3.239 4.010 6.720 1.00 0.00 C ATOM 443 SG CYS A 32 3.782 2.912 5.371 1.00 0.00 S ATOM 0 H CYS A 32 1.725 4.144 4.721 1.00 0.00 H new ATOM 0 HA CYS A 32 2.067 5.769 7.091 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.101 4.259 7.340 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.537 3.468 7.354 1.00 0.00 H new ATOM 448 N PHE A 33 4.636 6.561 6.570 1.00 0.00 N ATOM 449 CA PHE A 33 5.702 7.483 6.194 1.00 0.00 C ATOM 450 C PHE A 33 6.811 7.510 7.243 1.00 0.00 C ATOM 451 O PHE A 33 6.765 6.782 8.234 1.00 0.00 O ATOM 452 CB PHE A 33 5.140 8.892 6.001 1.00 0.00 C ATOM 453 CG PHE A 33 3.762 9.083 6.574 1.00 0.00 C ATOM 454 CD1 PHE A 33 3.420 8.529 7.798 1.00 0.00 C ATOM 455 CD2 PHE A 33 2.811 9.821 5.888 1.00 0.00 C ATOM 456 CE1 PHE A 33 2.155 8.708 8.326 1.00 0.00 C ATOM 457 CE2 PHE A 33 1.545 10.004 6.411 1.00 0.00 C ATOM 458 CZ PHE A 33 1.217 9.446 7.631 1.00 0.00 C ATOM 0 H PHE A 33 4.728 6.165 7.506 1.00 0.00 H new ATOM 0 HA PHE A 33 6.129 7.131 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.818 9.609 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.114 9.119 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.150 7.951 8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.062 10.259 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.901 8.271 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.813 10.582 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.228 9.587 8.041 1.00 0.00 H new ATOM 468 N SER A 34 7.807 8.360 7.010 1.00 0.00 N ATOM 469 CA SER A 34 8.936 8.498 7.923 1.00 0.00 C ATOM 470 C SER A 34 9.847 9.637 7.478 1.00 0.00 C ATOM 471 O SER A 34 10.194 10.514 8.269 1.00 0.00 O ATOM 472 CB SER A 34 9.731 7.192 7.991 1.00 0.00 C ATOM 473 OG SER A 34 10.923 7.279 7.229 1.00 0.00 O ATOM 0 H SER A 34 7.854 8.967 6.191 1.00 0.00 H new ATOM 0 HA SER A 34 8.547 8.726 8.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.975 6.965 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.118 6.370 7.621 1.00 0.00 H new ATOM 0 HG SER A 34 11.413 6.433 7.291 1.00 0.00 H new ATOM 479 N ARG A 35 10.227 9.615 6.203 1.00 0.00 N ATOM 480 CA ARG A 35 11.097 10.642 5.636 1.00 0.00 C ATOM 481 C ARG A 35 11.999 11.254 6.702 1.00 0.00 C ATOM 482 O ARG A 35 11.793 12.391 7.127 1.00 0.00 O ATOM 483 CB ARG A 35 10.261 11.735 4.966 1.00 0.00 C ATOM 484 CG ARG A 35 10.320 11.698 3.448 1.00 0.00 C ATOM 485 CD ARG A 35 9.615 12.896 2.832 1.00 0.00 C ATOM 486 NE ARG A 35 10.475 14.076 2.793 1.00 0.00 N ATOM 487 CZ ARG A 35 10.063 15.275 2.394 1.00 0.00 C ATOM 488 NH1 ARG A 35 8.808 15.449 2.002 1.00 0.00 N ATOM 489 NH2 ARG A 35 10.905 16.299 2.385 1.00 0.00 N ATOM 0 H ARG A 35 9.944 8.893 5.540 1.00 0.00 H new ATOM 0 HA ARG A 35 11.731 10.167 4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.223 11.634 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.607 12.709 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.361 11.681 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.859 10.779 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.294 12.647 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.716 13.122 3.405 1.00 0.00 H new ATOM 0 HE ARG A 35 11.446 13.974 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.159 14.662 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.492 16.369 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.871 16.168 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.587 17.218 2.078 1.00 0.00 H new ATOM 503 N ALA A 36 13.001 10.492 7.129 1.00 0.00 N ATOM 504 CA ALA A 36 13.938 10.956 8.143 1.00 0.00 C ATOM 505 C ALA A 36 15.359 10.502 7.824 1.00 0.00 C ATOM 506 O ALA A 36 15.560 9.487 7.158 1.00 0.00 O ATOM 507 CB ALA A 36 13.518 10.461 9.519 1.00 0.00 C ATOM 0 H ALA A 36 13.184 9.549 6.787 1.00 0.00 H new ATOM 0 HA ALA A 36 13.924 12.046 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.228 10.816 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.524 10.841 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.501 9.371 9.524 1.00 0.00 H new ATOM 513 N TYR A 37 16.340 11.262 8.299 1.00 0.00 N ATOM 514 CA TYR A 37 17.742 10.939 8.059 1.00 0.00 C ATOM 515 C TYR A 37 18.388 10.337 9.306 1.00 0.00 C ATOM 516 O TYR A 37 18.393 10.949 10.374 1.00 0.00 O ATOM 517 CB TYR A 37 18.501 12.193 7.612 1.00 0.00 C ATOM 518 CG TYR A 37 19.734 12.498 8.434 1.00 0.00 C ATOM 519 CD1 TYR A 37 20.953 11.902 8.137 1.00 0.00 C ATOM 520 CD2 TYR A 37 19.679 13.384 9.503 1.00 0.00 C ATOM 521 CE1 TYR A 37 22.082 12.178 8.883 1.00 0.00 C ATOM 522 CE2 TYR A 37 20.804 13.666 10.253 1.00 0.00 C ATOM 523 CZ TYR A 37 22.003 13.061 9.940 1.00 0.00 C ATOM 524 OH TYR A 37 23.127 13.339 10.683 1.00 0.00 O ATOM 0 H TYR A 37 16.190 12.106 8.852 1.00 0.00 H new ATOM 0 HA TYR A 37 17.792 10.194 7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 37 18.794 12.074 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.827 13.048 7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.019 11.212 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.742 13.860 9.751 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.022 11.705 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.745 14.357 11.081 1.00 0.00 H new ATOM 0 HH TYR A 37 22.902 13.980 11.389 1.00 0.00 H new ATOM 534 N PRO A 38 18.940 9.121 9.178 1.00 0.00 N ATOM 535 CA PRO A 38 19.591 8.420 10.286 1.00 0.00 C ATOM 536 C PRO A 38 21.005 8.928 10.551 1.00 0.00 C ATOM 537 O PRO A 38 21.486 9.838 9.875 1.00 0.00 O ATOM 538 CB PRO A 38 19.627 6.973 9.800 1.00 0.00 C ATOM 539 CG PRO A 38 19.710 7.078 8.315 1.00 0.00 C ATOM 540 CD PRO A 38 18.967 8.332 7.933 1.00 0.00 C ATOM 0 HA PRO A 38 19.062 8.562 11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 38 20.485 6.439 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.735 6.428 10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.748 7.127 7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.266 6.204 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 38 19.474 8.868 7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.960 8.108 7.580 1.00 0.00 H new ATOM 548 N THR A 39 21.666 8.331 11.539 1.00 0.00 N ATOM 549 CA THR A 39 23.026 8.720 11.897 1.00 0.00 C ATOM 550 C THR A 39 23.976 8.527 10.719 1.00 0.00 C ATOM 551 O THR A 39 23.914 7.520 10.015 1.00 0.00 O ATOM 552 CB THR A 39 23.511 7.907 13.099 1.00 0.00 C ATOM 553 OG1 THR A 39 22.816 8.289 14.272 1.00 0.00 O ATOM 554 CG2 THR A 39 24.992 8.063 13.372 1.00 0.00 C ATOM 0 H THR A 39 21.281 7.576 12.106 1.00 0.00 H new ATOM 0 HA THR A 39 23.017 9.777 12.162 1.00 0.00 H new ATOM 0 HB THR A 39 23.315 6.866 12.842 1.00 0.00 H new ATOM 0 HG1 THR A 39 23.137 7.758 15.030 1.00 0.00 H new ATOM 0 HG21 THR A 39 25.268 7.460 14.237 1.00 0.00 H new ATOM 0 HG22 THR A 39 25.559 7.731 12.502 1.00 0.00 H new ATOM 0 HG23 THR A 39 25.216 9.110 13.574 1.00 0.00 H new ATOM 562 N PRO A 40 24.871 9.500 10.494 1.00 0.00 N ATOM 563 CA PRO A 40 25.845 9.450 9.398 1.00 0.00 C ATOM 564 C PRO A 40 26.754 8.228 9.481 1.00 0.00 C ATOM 565 O PRO A 40 27.882 8.314 9.965 1.00 0.00 O ATOM 566 CB PRO A 40 26.666 10.735 9.577 1.00 0.00 C ATOM 567 CG PRO A 40 26.401 11.179 10.976 1.00 0.00 C ATOM 568 CD PRO A 40 25.005 10.727 11.292 1.00 0.00 C ATOM 0 HA PRO A 40 25.352 9.376 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 40 27.728 10.549 9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.365 11.497 8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 40 27.120 10.740 11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.491 12.262 11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.874 10.533 12.357 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.264 11.475 11.011 1.00 0.00 H new ATOM 576 N LEU A 41 26.259 7.090 9.004 1.00 0.00 N ATOM 577 CA LEU A 41 27.035 5.856 9.025 1.00 0.00 C ATOM 578 C LEU A 41 26.321 4.739 8.270 1.00 0.00 C ATOM 579 O LEU A 41 25.211 4.343 8.628 1.00 0.00 O ATOM 580 CB LEU A 41 27.302 5.418 10.466 1.00 0.00 C ATOM 581 CG LEU A 41 28.375 4.340 10.623 1.00 0.00 C ATOM 582 CD1 LEU A 41 27.755 2.954 10.533 1.00 0.00 C ATOM 583 CD2 LEU A 41 29.458 4.511 9.569 1.00 0.00 C ATOM 0 H LEU A 41 25.327 6.997 8.600 1.00 0.00 H new ATOM 0 HA LEU A 41 27.984 6.054 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.598 6.292 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.371 5.049 10.897 1.00 0.00 H new ATOM 0 HG LEU A 41 28.832 4.448 11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.533 2.199 10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 27.015 2.834 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 27.272 2.834 9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 41 30.214 3.736 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 41 29.016 4.429 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 41 29.922 5.491 9.680 1.00 0.00 H new ATOM 595 N ARG A 42 26.973 4.229 7.230 1.00 0.00 N ATOM 596 CA ARG A 42 26.412 3.148 6.425 1.00 0.00 C ATOM 597 C ARG A 42 25.231 3.630 5.588 1.00 0.00 C ATOM 598 O ARG A 42 24.469 4.500 6.010 1.00 0.00 O ATOM 599 CB ARG A 42 25.971 1.993 7.324 1.00 0.00 C ATOM 600 CG ARG A 42 25.405 0.810 6.556 1.00 0.00 C ATOM 601 CD ARG A 42 24.152 0.261 7.218 1.00 0.00 C ATOM 602 NE ARG A 42 24.431 -0.302 8.537 1.00 0.00 N ATOM 603 CZ ARG A 42 24.602 -1.601 8.768 1.00 0.00 C ATOM 604 NH1 ARG A 42 24.526 -2.474 7.771 1.00 0.00 N ATOM 605 NH2 ARG A 42 24.853 -2.029 9.997 1.00 0.00 N ATOM 0 H ARG A 42 27.892 4.547 6.924 1.00 0.00 H new ATOM 0 HA ARG A 42 27.191 2.802 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.823 1.658 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.219 2.355 8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 42 25.174 1.115 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.157 0.024 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 42 23.414 1.057 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 42 23.713 -0.507 6.582 1.00 0.00 H new ATOM 0 HE ARG A 42 24.499 0.339 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.336 -2.150 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.658 -3.469 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.915 -1.362 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.984 -3.025 10.173 1.00 0.00 H new ATOM 619 N SER A 43 25.085 3.049 4.400 1.00 0.00 N ATOM 620 CA SER A 43 23.997 3.405 3.496 1.00 0.00 C ATOM 621 C SER A 43 23.732 2.275 2.505 1.00 0.00 C ATOM 622 O SER A 43 23.261 2.509 1.392 1.00 0.00 O ATOM 623 CB SER A 43 24.328 4.695 2.743 1.00 0.00 C ATOM 624 OG SER A 43 25.546 5.256 3.201 1.00 0.00 O ATOM 0 H SER A 43 25.710 2.327 4.041 1.00 0.00 H new ATOM 0 HA SER A 43 23.098 3.566 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.398 4.488 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.520 5.415 2.876 1.00 0.00 H new ATOM 0 HG SER A 43 25.735 6.078 2.703 1.00 0.00 H new ATOM 630 N LYS A 44 24.041 1.050 2.919 1.00 0.00 N ATOM 631 CA LYS A 44 23.841 -0.120 2.072 1.00 0.00 C ATOM 632 C LYS A 44 22.560 -0.856 2.450 1.00 0.00 C ATOM 633 O LYS A 44 22.598 -1.877 3.136 1.00 0.00 O ATOM 634 CB LYS A 44 25.038 -1.066 2.184 1.00 0.00 C ATOM 635 CG LYS A 44 26.263 -0.590 1.421 1.00 0.00 C ATOM 636 CD LYS A 44 26.469 0.909 1.578 1.00 0.00 C ATOM 637 CE LYS A 44 27.714 1.380 0.843 1.00 0.00 C ATOM 638 NZ LYS A 44 27.399 1.862 -0.531 1.00 0.00 N ATOM 0 H LYS A 44 24.432 0.842 3.838 1.00 0.00 H new ATOM 0 HA LYS A 44 23.750 0.221 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.299 -1.185 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 44 24.749 -2.050 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.145 -1.119 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.153 -0.835 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 44 25.597 1.439 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 44 26.554 1.157 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 44 28.188 2.182 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.433 0.562 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.274 2.174 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.970 1.090 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.733 2.659 -0.475 1.00 0.00 H new ATOM 652 N LYS A 45 21.426 -0.331 1.997 1.00 0.00 N ATOM 653 CA LYS A 45 20.133 -0.938 2.285 1.00 0.00 C ATOM 654 C LYS A 45 19.735 -1.909 1.180 1.00 0.00 C ATOM 655 O LYS A 45 19.534 -1.509 0.033 1.00 0.00 O ATOM 656 CB LYS A 45 19.063 0.143 2.441 1.00 0.00 C ATOM 657 CG LYS A 45 19.126 0.872 3.772 1.00 0.00 C ATOM 658 CD LYS A 45 18.011 0.426 4.703 1.00 0.00 C ATOM 659 CE LYS A 45 17.199 1.610 5.203 1.00 0.00 C ATOM 660 NZ LYS A 45 17.513 1.940 6.620 1.00 0.00 N ATOM 0 H LYS A 45 21.377 0.514 1.428 1.00 0.00 H new ATOM 0 HA LYS A 45 20.217 -1.492 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.170 0.868 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.079 -0.313 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.091 0.688 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.053 1.946 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.356 -0.272 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.436 -0.110 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.399 2.478 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.136 1.387 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.939 2.752 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.298 1.120 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.522 2.178 6.706 1.00 0.00 H new ATOM 674 N THR A 46 19.626 -3.187 1.527 1.00 0.00 N ATOM 675 CA THR A 46 19.257 -4.210 0.557 1.00 0.00 C ATOM 676 C THR A 46 20.107 -4.085 -0.704 1.00 0.00 C ATOM 677 O THR A 46 19.663 -3.533 -1.710 1.00 0.00 O ATOM 678 CB THR A 46 17.772 -4.094 0.203 1.00 0.00 C ATOM 679 OG1 THR A 46 17.028 -3.625 1.313 1.00 0.00 O ATOM 680 CG2 THR A 46 17.158 -5.404 -0.240 1.00 0.00 C ATOM 0 H THR A 46 19.788 -3.538 2.471 1.00 0.00 H new ATOM 0 HA THR A 46 19.439 -5.188 1.003 1.00 0.00 H new ATOM 0 HB THR A 46 17.727 -3.391 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.082 -3.556 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.105 -5.251 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.679 -5.769 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.248 -6.137 0.561 1.00 0.00 H new ATOM 688 N MET A 47 21.334 -4.595 -0.638 1.00 0.00 N ATOM 689 CA MET A 47 22.251 -4.534 -1.771 1.00 0.00 C ATOM 690 C MET A 47 21.503 -4.688 -3.093 1.00 0.00 C ATOM 691 O MET A 47 20.960 -3.717 -3.619 1.00 0.00 O ATOM 692 CB MET A 47 23.327 -5.615 -1.643 1.00 0.00 C ATOM 693 CG MET A 47 24.650 -5.095 -1.103 1.00 0.00 C ATOM 694 SD MET A 47 25.379 -6.192 0.128 1.00 0.00 S ATOM 695 CE MET A 47 25.632 -5.053 1.487 1.00 0.00 C ATOM 0 H MET A 47 21.716 -5.055 0.189 1.00 0.00 H new ATOM 0 HA MET A 47 22.730 -3.555 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 47 22.961 -6.404 -0.986 1.00 0.00 H new ATOM 0 HB3 MET A 47 23.495 -6.066 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 47 25.350 -4.967 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 47 24.495 -4.111 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 47 26.079 -5.583 2.328 1.00 0.00 H new ATOM 0 HE2 MET A 47 26.297 -4.250 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.674 -4.631 1.791 1.00 0.00 H new ATOM 705 N LEU A 48 21.479 -5.912 -3.621 1.00 0.00 N ATOM 706 CA LEU A 48 20.799 -6.205 -4.883 1.00 0.00 C ATOM 707 C LEU A 48 20.491 -4.929 -5.663 1.00 0.00 C ATOM 708 O LEU A 48 19.327 -4.592 -5.882 1.00 0.00 O ATOM 709 CB LEU A 48 19.503 -6.977 -4.617 1.00 0.00 C ATOM 710 CG LEU A 48 19.666 -8.252 -3.788 1.00 0.00 C ATOM 711 CD1 LEU A 48 18.454 -8.465 -2.892 1.00 0.00 C ATOM 712 CD2 LEU A 48 19.877 -9.454 -4.696 1.00 0.00 C ATOM 0 H LEU A 48 21.926 -6.722 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 48 21.469 -6.817 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.803 -6.316 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 19.052 -7.239 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 48 20.546 -8.141 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.588 -9.377 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.347 -7.616 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.558 -8.555 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.991 -10.353 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.016 -9.568 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.775 -9.304 -5.295 1.00 0.00 H new ATOM 724 N VAL A 49 21.538 -4.224 -6.081 1.00 0.00 N ATOM 725 CA VAL A 49 21.371 -2.987 -6.837 1.00 0.00 C ATOM 726 C VAL A 49 21.237 -3.268 -8.330 1.00 0.00 C ATOM 727 O VAL A 49 21.393 -2.369 -9.158 1.00 0.00 O ATOM 728 CB VAL A 49 22.549 -2.020 -6.610 1.00 0.00 C ATOM 729 CG1 VAL A 49 22.202 -0.632 -7.124 1.00 0.00 C ATOM 730 CG2 VAL A 49 22.925 -1.971 -5.137 1.00 0.00 C ATOM 0 H VAL A 49 22.508 -4.487 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 49 20.456 -2.519 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 49 23.410 -2.387 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 49 23.044 0.039 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 49 21.985 -0.683 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.327 -0.256 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.759 -1.283 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 49 22.070 -1.628 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.216 -2.967 -4.803 1.00 0.00 H new ATOM 740 N GLN A 50 20.942 -4.519 -8.667 1.00 0.00 N ATOM 741 CA GLN A 50 20.781 -4.920 -10.060 1.00 0.00 C ATOM 742 C GLN A 50 19.304 -5.021 -10.426 1.00 0.00 C ATOM 743 O GLN A 50 18.459 -4.363 -9.819 1.00 0.00 O ATOM 744 CB GLN A 50 21.476 -6.260 -10.309 1.00 0.00 C ATOM 745 CG GLN A 50 22.224 -6.322 -11.630 1.00 0.00 C ATOM 746 CD GLN A 50 22.967 -7.630 -11.815 1.00 0.00 C ATOM 747 OE1 GLN A 50 23.486 -8.202 -10.857 1.00 0.00 O ATOM 748 NE2 GLN A 50 23.021 -8.111 -13.051 1.00 0.00 N ATOM 0 H GLN A 50 20.809 -5.274 -7.994 1.00 0.00 H new ATOM 0 HA GLN A 50 21.242 -4.159 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.175 -6.453 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.731 -7.056 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.518 -6.190 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.932 -5.495 -11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.576 -7.603 -13.816 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.507 -8.988 -13.236 1.00 0.00 H new ATOM 757 N LYS A 51 18.996 -5.850 -11.418 1.00 0.00 N ATOM 758 CA LYS A 51 17.617 -6.033 -11.857 1.00 0.00 C ATOM 759 C LYS A 51 17.012 -4.710 -12.315 1.00 0.00 C ATOM 760 O LYS A 51 17.149 -3.688 -11.643 1.00 0.00 O ATOM 761 CB LYS A 51 16.777 -6.624 -10.723 1.00 0.00 C ATOM 762 CG LYS A 51 17.070 -8.089 -10.452 1.00 0.00 C ATOM 763 CD LYS A 51 16.344 -8.583 -9.211 1.00 0.00 C ATOM 764 CE LYS A 51 17.203 -8.432 -7.966 1.00 0.00 C ATOM 765 NZ LYS A 51 16.774 -9.354 -6.879 1.00 0.00 N ATOM 0 H LYS A 51 19.681 -6.405 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 51 17.617 -6.723 -12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.956 -6.052 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.721 -6.512 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.769 -8.686 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.144 -8.229 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.417 -8.025 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.070 -9.630 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.245 -8.628 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.150 -7.403 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.014 -8.938 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.746 -9.502 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.262 -10.266 -6.985 1.00 0.00 H new ATOM 779 N ASN A 52 16.339 -4.736 -13.463 1.00 0.00 N ATOM 780 CA ASN A 52 15.712 -3.536 -14.006 1.00 0.00 C ATOM 781 C ASN A 52 15.170 -2.658 -12.882 1.00 0.00 C ATOM 782 O ASN A 52 14.890 -3.143 -11.786 1.00 0.00 O ATOM 783 CB ASN A 52 14.580 -3.915 -14.964 1.00 0.00 C ATOM 784 CG ASN A 52 15.083 -4.271 -16.350 1.00 0.00 C ATOM 785 OD1 ASN A 52 15.308 -5.442 -16.656 1.00 0.00 O ATOM 786 ND2 ASN A 52 15.264 -3.258 -17.193 1.00 0.00 N ATOM 0 H ASN A 52 16.215 -5.573 -14.033 1.00 0.00 H new ATOM 0 HA ASN A 52 16.468 -2.974 -14.555 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.029 -4.761 -14.553 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.879 -3.084 -15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.064 -2.304 -16.894 1.00 0.00 H new ATOM 791 N VAL A 53 15.027 -1.365 -13.160 1.00 0.00 N ATOM 792 CA VAL A 53 14.519 -0.419 -12.171 1.00 0.00 C ATOM 793 C VAL A 53 13.570 -1.103 -11.191 1.00 0.00 C ATOM 794 O VAL A 53 12.535 -1.641 -11.585 1.00 0.00 O ATOM 795 CB VAL A 53 13.795 0.764 -12.846 1.00 0.00 C ATOM 796 CG1 VAL A 53 13.179 0.330 -14.167 1.00 0.00 C ATOM 797 CG2 VAL A 53 12.737 1.354 -11.922 1.00 0.00 C ATOM 0 H VAL A 53 15.256 -0.948 -14.062 1.00 0.00 H new ATOM 0 HA VAL A 53 15.380 -0.037 -11.623 1.00 0.00 H new ATOM 0 HB VAL A 53 14.531 1.541 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.673 1.178 -14.628 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.963 -0.031 -14.833 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.459 -0.469 -13.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.241 2.186 -12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.001 0.588 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.211 1.710 -11.007 1.00 0.00 H new ATOM 807 N THR A 54 13.935 -1.079 -9.914 1.00 0.00 N ATOM 808 CA THR A 54 13.122 -1.696 -8.871 1.00 0.00 C ATOM 809 C THR A 54 12.745 -0.679 -7.798 1.00 0.00 C ATOM 810 O THR A 54 13.486 0.270 -7.540 1.00 0.00 O ATOM 811 CB THR A 54 13.875 -2.868 -8.236 1.00 0.00 C ATOM 812 OG1 THR A 54 13.952 -3.961 -9.135 1.00 0.00 O ATOM 813 CG2 THR A 54 13.236 -3.368 -6.958 1.00 0.00 C ATOM 0 H THR A 54 14.790 -0.638 -9.575 1.00 0.00 H new ATOM 0 HA THR A 54 12.206 -2.066 -9.332 1.00 0.00 H new ATOM 0 HB THR A 54 14.866 -2.481 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.267 -3.645 -10.008 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.819 -4.198 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.207 -2.561 -6.226 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.221 -3.705 -7.167 1.00 0.00 H new ATOM 821 N SER A 55 11.588 -0.883 -7.175 1.00 0.00 N ATOM 822 CA SER A 55 11.110 0.017 -6.129 1.00 0.00 C ATOM 823 C SER A 55 9.765 -0.454 -5.582 1.00 0.00 C ATOM 824 O SER A 55 8.802 -0.612 -6.333 1.00 0.00 O ATOM 825 CB SER A 55 10.981 1.444 -6.670 1.00 0.00 C ATOM 826 OG SER A 55 11.556 1.558 -7.960 1.00 0.00 O ATOM 0 H SER A 55 10.963 -1.664 -7.376 1.00 0.00 H new ATOM 0 HA SER A 55 11.838 0.009 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.929 1.726 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.470 2.140 -5.988 1.00 0.00 H new ATOM 0 HG SER A 55 12.533 1.581 -7.882 1.00 0.00 H new ATOM 832 N GLU A 56 9.704 -0.676 -4.273 1.00 0.00 N ATOM 833 CA GLU A 56 8.472 -1.130 -3.638 1.00 0.00 C ATOM 834 C GLU A 56 8.714 -1.532 -2.185 1.00 0.00 C ATOM 835 O GLU A 56 8.334 -2.624 -1.763 1.00 0.00 O ATOM 836 CB GLU A 56 7.885 -2.309 -4.415 1.00 0.00 C ATOM 837 CG GLU A 56 8.915 -3.362 -4.784 1.00 0.00 C ATOM 838 CD GLU A 56 8.835 -4.593 -3.903 1.00 0.00 C ATOM 839 OE1 GLU A 56 7.776 -4.804 -3.274 1.00 0.00 O ATOM 840 OE2 GLU A 56 9.830 -5.344 -3.840 1.00 0.00 O ATOM 0 H GLU A 56 10.489 -0.550 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 56 7.763 -0.302 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.100 -2.773 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.415 -1.937 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.772 -3.655 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.913 -2.930 -4.708 1.00 0.00 H new ATOM 847 N SER A 57 9.343 -0.642 -1.423 1.00 0.00 N ATOM 848 CA SER A 57 9.626 -0.908 -0.016 1.00 0.00 C ATOM 849 C SER A 57 8.338 -1.230 0.739 1.00 0.00 C ATOM 850 O SER A 57 7.912 -2.384 0.791 1.00 0.00 O ATOM 851 CB SER A 57 10.326 0.293 0.623 1.00 0.00 C ATOM 852 OG SER A 57 11.713 0.048 0.784 1.00 0.00 O ATOM 0 H SER A 57 9.666 0.267 -1.755 1.00 0.00 H new ATOM 0 HA SER A 57 10.288 -1.772 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.179 1.177 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.876 0.507 1.593 1.00 0.00 H new ATOM 0 HG SER A 57 12.138 0.831 1.193 1.00 0.00 H new ATOM 858 N THR A 58 7.716 -0.204 1.312 1.00 0.00 N ATOM 859 CA THR A 58 6.469 -0.381 2.052 1.00 0.00 C ATOM 860 C THR A 58 5.352 -0.822 1.110 1.00 0.00 C ATOM 861 O THR A 58 5.381 -0.510 -0.081 1.00 0.00 O ATOM 862 CB THR A 58 6.080 0.923 2.752 1.00 0.00 C ATOM 863 OG1 THR A 58 6.712 2.031 2.136 1.00 0.00 O ATOM 864 CG2 THR A 58 6.446 0.946 4.220 1.00 0.00 C ATOM 0 H THR A 58 8.054 0.758 1.279 1.00 0.00 H new ATOM 0 HA THR A 58 6.619 -1.155 2.805 1.00 0.00 H new ATOM 0 HB THR A 58 4.996 0.986 2.662 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.449 2.855 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.143 1.898 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.936 0.132 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.524 0.824 4.328 1.00 0.00 H new ATOM 872 N CYS A 59 4.369 -1.553 1.635 1.00 0.00 N ATOM 873 CA CYS A 59 3.264 -2.025 0.805 1.00 0.00 C ATOM 874 C CYS A 59 2.008 -2.320 1.622 1.00 0.00 C ATOM 875 O CYS A 59 1.907 -3.359 2.274 1.00 0.00 O ATOM 876 CB CYS A 59 3.678 -3.278 0.031 1.00 0.00 C ATOM 877 SG CYS A 59 5.480 -3.530 -0.082 1.00 0.00 S ATOM 0 H CYS A 59 4.315 -1.827 2.616 1.00 0.00 H new ATOM 0 HA CYS A 59 3.025 -1.221 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.230 -4.150 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.267 -3.220 -0.977 1.00 0.00 H new ATOM 882 N CYS A 60 1.042 -1.406 1.556 1.00 0.00 N ATOM 883 CA CYS A 60 -0.228 -1.570 2.263 1.00 0.00 C ATOM 884 C CYS A 60 -1.226 -2.262 1.359 1.00 0.00 C ATOM 885 O CYS A 60 -2.401 -1.898 1.307 1.00 0.00 O ATOM 886 CB CYS A 60 -0.785 -0.216 2.702 1.00 0.00 C ATOM 887 SG CYS A 60 -0.697 0.090 4.496 1.00 0.00 S ATOM 0 H CYS A 60 1.114 -0.542 1.019 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.054 -2.176 3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.239 0.573 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.825 -0.145 2.384 1.00 0.00 H new ATOM 892 N VAL A 61 -0.743 -3.272 0.658 1.00 0.00 N ATOM 893 CA VAL A 61 -1.580 -4.045 -0.245 1.00 0.00 C ATOM 894 C VAL A 61 -2.610 -4.814 0.559 1.00 0.00 C ATOM 895 O VAL A 61 -2.630 -6.044 0.555 1.00 0.00 O ATOM 896 CB VAL A 61 -0.748 -5.029 -1.088 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.163 -4.275 -2.042 1.00 0.00 C ATOM 898 CG2 VAL A 61 0.061 -5.953 -0.190 1.00 0.00 C ATOM 0 H VAL A 61 0.229 -3.578 0.696 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.073 -3.352 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.432 -5.640 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.743 -4.986 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.439 -3.659 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.839 -3.638 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.642 -6.641 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.735 -5.361 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.614 -6.521 0.450 1.00 0.00 H new ATOM 908 N ALA A 62 -3.451 -4.072 1.268 1.00 0.00 N ATOM 909 CA ALA A 62 -4.472 -4.669 2.107 1.00 0.00 C ATOM 910 C ALA A 62 -3.945 -5.926 2.779 1.00 0.00 C ATOM 911 O ALA A 62 -3.891 -6.999 2.179 1.00 0.00 O ATOM 912 CB ALA A 62 -5.715 -4.971 1.302 1.00 0.00 C ATOM 0 H ALA A 62 -3.443 -3.052 1.276 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.738 -3.953 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.469 -5.418 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.106 -4.047 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.469 -5.666 0.499 1.00 0.00 H new ATOM 918 N LYS A 63 -3.578 -5.777 4.040 1.00 0.00 N ATOM 919 CA LYS A 63 -3.071 -6.877 4.836 1.00 0.00 C ATOM 920 C LYS A 63 -4.023 -8.051 4.741 1.00 0.00 C ATOM 921 O LYS A 63 -3.622 -9.214 4.792 1.00 0.00 O ATOM 922 CB LYS A 63 -2.938 -6.414 6.279 1.00 0.00 C ATOM 923 CG LYS A 63 -2.452 -7.483 7.234 1.00 0.00 C ATOM 924 CD LYS A 63 -1.289 -8.267 6.653 1.00 0.00 C ATOM 925 CE LYS A 63 -0.327 -8.717 7.740 1.00 0.00 C ATOM 926 NZ LYS A 63 0.884 -9.368 7.171 1.00 0.00 N ATOM 0 H LYS A 63 -3.624 -4.889 4.539 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.095 -7.193 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.249 -5.570 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.906 -6.050 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.147 -7.021 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.271 -8.164 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.667 -9.137 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.758 -7.650 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.029 -7.857 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.834 -9.413 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.516 -9.661 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.602 -10.203 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.382 -8.696 6.553 1.00 0.00 H new ATOM 940 N SER A 64 -5.293 -7.719 4.582 1.00 0.00 N ATOM 941 CA SER A 64 -6.340 -8.714 4.452 1.00 0.00 C ATOM 942 C SER A 64 -7.436 -8.179 3.546 1.00 0.00 C ATOM 943 O SER A 64 -8.078 -7.183 3.864 1.00 0.00 O ATOM 944 CB SER A 64 -6.909 -9.082 5.824 1.00 0.00 C ATOM 945 OG SER A 64 -5.946 -9.763 6.609 1.00 0.00 O ATOM 0 H SER A 64 -5.625 -6.755 4.540 1.00 0.00 H new ATOM 0 HA SER A 64 -5.920 -9.617 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.232 -8.179 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.791 -9.710 5.699 1.00 0.00 H new ATOM 0 HG SER A 64 -6.333 -9.986 7.481 1.00 0.00 H new ATOM 951 N TYR A 65 -7.624 -8.820 2.400 1.00 0.00 N ATOM 952 CA TYR A 65 -8.622 -8.363 1.441 1.00 0.00 C ATOM 953 C TYR A 65 -9.884 -9.199 1.456 1.00 0.00 C ATOM 954 O TYR A 65 -9.860 -10.397 1.736 1.00 0.00 O ATOM 955 CB TYR A 65 -8.059 -8.397 0.018 1.00 0.00 C ATOM 956 CG TYR A 65 -7.285 -9.654 -0.303 1.00 0.00 C ATOM 957 CD1 TYR A 65 -7.910 -10.894 -0.305 1.00 0.00 C ATOM 958 CD2 TYR A 65 -5.932 -9.599 -0.609 1.00 0.00 C ATOM 959 CE1 TYR A 65 -7.207 -12.047 -0.601 1.00 0.00 C ATOM 960 CE2 TYR A 65 -5.221 -10.746 -0.907 1.00 0.00 C ATOM 961 CZ TYR A 65 -5.863 -11.968 -0.902 1.00 0.00 C ATOM 962 OH TYR A 65 -5.159 -13.114 -1.197 1.00 0.00 O ATOM 0 H TYR A 65 -7.105 -9.650 2.113 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.873 -7.346 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.881 -8.297 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.408 -7.534 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.962 -10.959 -0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.427 -8.644 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.707 -13.004 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.169 -10.687 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.225 -12.885 -1.387 1.00 0.00 H new ATOM 972 N ASN A 66 -10.976 -8.557 1.070 1.00 0.00 N ATOM 973 CA ASN A 66 -12.259 -9.245 0.949 1.00 0.00 C ATOM 974 C ASN A 66 -12.759 -9.021 -0.465 1.00 0.00 C ATOM 975 O ASN A 66 -13.953 -9.025 -0.759 1.00 0.00 O ATOM 976 CB ASN A 66 -13.269 -8.750 1.982 1.00 0.00 C ATOM 977 CG ASN A 66 -13.771 -9.862 2.882 1.00 0.00 C ATOM 978 OD1 ASN A 66 -13.108 -10.248 3.844 1.00 0.00 O ATOM 979 ND2 ASN A 66 -14.952 -10.384 2.571 1.00 0.00 N ATOM 0 H ASN A 66 -11.003 -7.565 0.835 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.132 -10.310 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.809 -7.973 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -14.115 -8.293 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.343 -11.136 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.468 -10.033 1.764 1.00 0.00 H new ATOM 986 N ARG A 67 -11.768 -8.817 -1.304 1.00 0.00 N ATOM 987 CA ARG A 67 -11.909 -8.558 -2.732 1.00 0.00 C ATOM 988 C ARG A 67 -13.350 -8.432 -3.210 1.00 0.00 C ATOM 989 O ARG A 67 -14.215 -9.257 -2.915 1.00 0.00 O ATOM 990 CB ARG A 67 -11.159 -9.630 -3.514 1.00 0.00 C ATOM 991 CG ARG A 67 -10.333 -9.077 -4.663 1.00 0.00 C ATOM 992 CD ARG A 67 -10.118 -10.120 -5.748 1.00 0.00 C ATOM 993 NE ARG A 67 -11.355 -10.437 -6.457 1.00 0.00 N ATOM 994 CZ ARG A 67 -11.558 -11.577 -7.110 1.00 0.00 C ATOM 995 NH1 ARG A 67 -10.609 -12.503 -7.141 1.00 0.00 N ATOM 996 NH2 ARG A 67 -12.711 -11.792 -7.730 1.00 0.00 N ATOM 0 H ARG A 67 -10.794 -8.826 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.470 -7.578 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.503 -10.172 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.876 -10.351 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.835 -8.207 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.368 -8.737 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.376 -9.756 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.713 -11.028 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.105 -9.745 -6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.722 -12.341 -6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.766 -13.377 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.443 -11.082 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.865 -12.667 -8.231 1.00 0.00 H new ATOM 1010 N VAL A 68 -13.566 -7.363 -3.971 1.00 0.00 N ATOM 1011 CA VAL A 68 -14.861 -7.030 -4.549 1.00 0.00 C ATOM 1012 C VAL A 68 -14.665 -6.499 -5.958 1.00 0.00 C ATOM 1013 O VAL A 68 -14.630 -5.286 -6.163 1.00 0.00 O ATOM 1014 CB VAL A 68 -15.565 -5.931 -3.735 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -17.044 -6.232 -3.562 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -14.878 -5.738 -2.395 1.00 0.00 C ATOM 0 H VAL A 68 -12.833 -6.694 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.468 -7.935 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.490 -4.996 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.512 -5.436 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.519 -6.296 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.163 -7.180 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.390 -4.957 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.910 -6.671 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.840 -5.448 -2.557 1.00 0.00 H new ATOM 1026 N THR A 69 -14.509 -7.386 -6.927 1.00 0.00 N ATOM 1027 CA THR A 69 -14.290 -6.943 -8.288 1.00 0.00 C ATOM 1028 C THR A 69 -15.448 -6.113 -8.804 1.00 0.00 C ATOM 1029 O THR A 69 -16.550 -6.615 -9.026 1.00 0.00 O ATOM 1030 CB THR A 69 -14.054 -8.098 -9.242 1.00 0.00 C ATOM 1031 OG1 THR A 69 -12.889 -8.824 -8.888 1.00 0.00 O ATOM 1032 CG2 THR A 69 -13.893 -7.605 -10.659 1.00 0.00 C ATOM 0 H THR A 69 -14.530 -8.398 -6.798 1.00 0.00 H new ATOM 0 HA THR A 69 -13.391 -6.328 -8.253 1.00 0.00 H new ATOM 0 HB THR A 69 -14.926 -8.748 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.761 -9.564 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.725 -8.453 -11.322 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.796 -7.078 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.041 -6.927 -10.714 1.00 0.00 H new ATOM 1040 N VAL A 70 -15.173 -4.842 -9.006 1.00 0.00 N ATOM 1041 CA VAL A 70 -16.166 -3.913 -9.516 1.00 0.00 C ATOM 1042 C VAL A 70 -15.805 -3.424 -10.912 1.00 0.00 C ATOM 1043 O VAL A 70 -14.861 -3.908 -11.537 1.00 0.00 O ATOM 1044 CB VAL A 70 -16.334 -2.687 -8.598 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -17.730 -2.651 -7.998 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -15.273 -2.681 -7.508 1.00 0.00 C ATOM 0 H VAL A 70 -14.261 -4.423 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.105 -4.465 -9.551 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.203 -1.789 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -17.827 -1.777 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.468 -2.595 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.898 -3.555 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.410 -1.807 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.364 -3.586 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.283 -2.646 -7.964 1.00 0.00 H new ATOM 1056 N MET A 71 -16.575 -2.456 -11.385 1.00 0.00 N ATOM 1057 CA MET A 71 -16.373 -1.869 -12.705 1.00 0.00 C ATOM 1058 C MET A 71 -15.880 -2.912 -13.698 1.00 0.00 C ATOM 1059 O MET A 71 -16.333 -4.057 -13.690 1.00 0.00 O ATOM 1060 CB MET A 71 -15.374 -0.711 -12.639 1.00 0.00 C ATOM 1061 CG MET A 71 -15.292 -0.048 -11.280 1.00 0.00 C ATOM 1062 SD MET A 71 -16.007 1.609 -11.271 1.00 0.00 S ATOM 1063 CE MET A 71 -17.283 1.435 -12.516 1.00 0.00 C ATOM 0 H MET A 71 -17.357 -2.054 -10.867 1.00 0.00 H new ATOM 0 HA MET A 71 -17.336 -1.488 -13.045 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.386 -1.081 -12.912 1.00 0.00 H new ATOM 0 HB3 MET A 71 -15.651 0.038 -13.381 1.00 0.00 H new ATOM 0 HG2 MET A 71 -15.809 -0.667 -10.546 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.249 0.009 -10.970 1.00 0.00 H new ATOM 0 HE1 MET A 71 -17.999 2.252 -12.420 1.00 0.00 H new ATOM 0 HE2 MET A 71 -16.830 1.464 -13.507 1.00 0.00 H new ATOM 0 HE3 MET A 71 -17.797 0.484 -12.379 1.00 0.00 H new ATOM 1073 N GLY A 72 -14.948 -2.507 -14.555 1.00 0.00 N ATOM 1074 CA GLY A 72 -14.406 -3.410 -15.544 1.00 0.00 C ATOM 1075 C GLY A 72 -13.581 -4.526 -14.932 1.00 0.00 C ATOM 1076 O GLY A 72 -12.965 -5.316 -15.647 1.00 0.00 O ATOM 0 H GLY A 72 -14.559 -1.564 -14.579 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.223 -3.843 -16.121 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.786 -2.847 -16.242 1.00 0.00 H new ATOM 1080 N GLY A 73 -13.567 -4.591 -13.605 1.00 0.00 N ATOM 1081 CA GLY A 73 -12.810 -5.618 -12.919 1.00 0.00 C ATOM 1082 C GLY A 73 -11.961 -5.052 -11.799 1.00 0.00 C ATOM 1083 O GLY A 73 -10.890 -5.579 -11.496 1.00 0.00 O ATOM 0 H GLY A 73 -14.068 -3.948 -12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.495 -6.362 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.168 -6.133 -13.634 1.00 0.00 H new ATOM 1087 N PHE A 74 -12.437 -3.973 -11.185 1.00 0.00 N ATOM 1088 CA PHE A 74 -11.709 -3.333 -10.096 1.00 0.00 C ATOM 1089 C PHE A 74 -11.725 -4.200 -8.847 1.00 0.00 C ATOM 1090 O PHE A 74 -12.779 -4.453 -8.266 1.00 0.00 O ATOM 1091 CB PHE A 74 -12.305 -1.962 -9.782 1.00 0.00 C ATOM 1092 CG PHE A 74 -11.819 -0.873 -10.698 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -11.266 -1.183 -11.930 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -11.914 0.459 -10.326 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -10.816 -0.186 -12.774 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -11.465 1.461 -11.166 1.00 0.00 C ATOM 1097 CZ PHE A 74 -10.916 1.138 -12.392 1.00 0.00 C ATOM 0 H PHE A 74 -13.322 -3.525 -11.423 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.675 -3.205 -10.418 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.391 -2.023 -9.848 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.062 -1.696 -8.753 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.186 -2.216 -12.234 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.344 0.717 -9.369 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.386 -0.441 -13.731 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.543 2.495 -10.864 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.566 1.919 -13.051 1.00 0.00 H new ATOM 1107 N LYS A 75 -10.547 -4.651 -8.442 1.00 0.00 N ATOM 1108 CA LYS A 75 -10.417 -5.494 -7.262 1.00 0.00 C ATOM 1109 C LYS A 75 -9.981 -4.678 -6.048 1.00 0.00 C ATOM 1110 O LYS A 75 -8.811 -4.323 -5.907 1.00 0.00 O ATOM 1111 CB LYS A 75 -9.420 -6.623 -7.530 1.00 0.00 C ATOM 1112 CG LYS A 75 -9.480 -7.156 -8.953 1.00 0.00 C ATOM 1113 CD LYS A 75 -8.989 -8.592 -9.033 1.00 0.00 C ATOM 1114 CE LYS A 75 -7.476 -8.655 -9.160 1.00 0.00 C ATOM 1115 NZ LYS A 75 -6.805 -8.608 -7.832 1.00 0.00 N ATOM 0 H LYS A 75 -9.666 -4.447 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.393 -5.926 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.411 -6.263 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.613 -7.440 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.505 -7.100 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.873 -6.526 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.304 -9.136 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.448 -9.088 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.193 -9.572 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.128 -7.823 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.851 -9.016 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.734 -7.620 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.360 -9.155 -7.143 1.00 0.00 H new ATOM 1129 N VAL A 76 -10.940 -4.395 -5.175 1.00 0.00 N ATOM 1130 CA VAL A 76 -10.691 -3.629 -3.954 1.00 0.00 C ATOM 1131 C VAL A 76 -10.191 -4.524 -2.872 1.00 0.00 C ATOM 1132 O VAL A 76 -10.141 -4.139 -1.704 1.00 0.00 O ATOM 1133 CB VAL A 76 -11.996 -2.991 -3.452 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -12.521 -2.009 -4.485 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -12.973 -4.123 -3.235 1.00 0.00 C ATOM 0 H VAL A 76 -11.910 -4.688 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.952 -2.863 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.843 -2.436 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.446 -1.560 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.780 -1.227 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.714 -2.534 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.921 -3.722 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.134 -4.650 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.569 -4.815 -2.496 1.00 0.00 H new ATOM 1145 N GLU A 77 -9.852 -5.726 -3.266 1.00 0.00 N ATOM 1146 CA GLU A 77 -9.392 -6.715 -2.308 1.00 0.00 C ATOM 1147 C GLU A 77 -10.018 -6.338 -0.984 1.00 0.00 C ATOM 1148 O GLU A 77 -9.349 -6.280 0.044 1.00 0.00 O ATOM 1149 CB GLU A 77 -7.864 -6.698 -2.212 1.00 0.00 C ATOM 1150 CG GLU A 77 -7.202 -5.747 -3.195 1.00 0.00 C ATOM 1151 CD GLU A 77 -6.911 -6.395 -4.534 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -7.860 -6.574 -5.326 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -5.733 -6.721 -4.793 1.00 0.00 O ATOM 0 H GLU A 77 -9.883 -6.047 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.678 -7.724 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.575 -6.418 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.486 -7.706 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.848 -4.882 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.271 -5.378 -2.765 1.00 0.00 H new ATOM 1160 N ASN A 78 -11.312 -5.982 -1.062 1.00 0.00 N ATOM 1161 CA ASN A 78 -12.040 -5.481 0.094 1.00 0.00 C ATOM 1162 C ASN A 78 -11.074 -5.379 1.229 1.00 0.00 C ATOM 1163 O ASN A 78 -11.045 -6.231 2.115 1.00 0.00 O ATOM 1164 CB ASN A 78 -13.191 -6.354 0.538 1.00 0.00 C ATOM 1165 CG ASN A 78 -13.719 -5.855 1.870 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -12.988 -5.780 2.855 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -14.982 -5.509 1.897 1.00 0.00 N ATOM 0 H ASN A 78 -11.866 -6.036 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.472 -4.523 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.984 -6.337 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.862 -7.389 0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.551 -5.588 1.054 1.00 0.00 H new ATOM 1172 N HIS A 79 -10.231 -4.389 1.169 1.00 0.00 N ATOM 1173 CA HIS A 79 -9.227 -4.268 2.176 1.00 0.00 C ATOM 1174 C HIS A 79 -9.823 -4.333 3.552 1.00 0.00 C ATOM 1175 O HIS A 79 -10.427 -3.393 4.049 1.00 0.00 O ATOM 1176 CB HIS A 79 -8.397 -3.014 1.985 1.00 0.00 C ATOM 1177 CG HIS A 79 -7.733 -3.025 0.666 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -6.908 -2.040 0.192 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -7.813 -3.957 -0.300 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -6.520 -2.396 -1.038 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -7.042 -3.558 -1.386 1.00 0.00 N ATOM 0 H HIS A 79 -10.220 -3.669 0.447 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.554 -5.119 2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.034 -2.134 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.649 -2.943 2.774 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.638 -1.190 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.386 -4.871 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.865 -1.809 -1.665 1.00 0.00 H new ATOM 1189 N THR A 80 -9.631 -5.470 4.153 1.00 0.00 N ATOM 1190 CA THR A 80 -10.116 -5.717 5.491 1.00 0.00 C ATOM 1191 C THR A 80 -9.004 -5.400 6.475 1.00 0.00 C ATOM 1192 O THR A 80 -9.231 -5.216 7.671 1.00 0.00 O ATOM 1193 CB THR A 80 -10.586 -7.158 5.595 1.00 0.00 C ATOM 1194 OG1 THR A 80 -9.512 -8.021 5.914 1.00 0.00 O ATOM 1195 CG2 THR A 80 -11.199 -7.629 4.298 1.00 0.00 C ATOM 0 H THR A 80 -9.134 -6.257 3.735 1.00 0.00 H new ATOM 0 HA THR A 80 -10.968 -5.079 5.726 1.00 0.00 H new ATOM 0 HB THR A 80 -11.334 -7.188 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.840 -8.942 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.525 -8.664 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.056 -7.002 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.459 -7.562 3.500 1.00 0.00 H new ATOM 1203 N ALA A 81 -7.797 -5.306 5.927 1.00 0.00 N ATOM 1204 CA ALA A 81 -6.610 -4.974 6.693 1.00 0.00 C ATOM 1205 C ALA A 81 -5.567 -4.359 5.766 1.00 0.00 C ATOM 1206 O ALA A 81 -5.114 -5.011 4.837 1.00 0.00 O ATOM 1207 CB ALA A 81 -6.055 -6.214 7.379 1.00 0.00 C ATOM 0 H ALA A 81 -7.618 -5.459 4.935 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.870 -4.251 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.165 -5.947 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.807 -6.625 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.794 -6.960 6.628 1.00 0.00 H new ATOM 1213 N CYS A 82 -5.199 -3.103 6.008 1.00 0.00 N ATOM 1214 CA CYS A 82 -4.208 -2.425 5.170 1.00 0.00 C ATOM 1215 C CYS A 82 -2.951 -2.119 5.979 1.00 0.00 C ATOM 1216 O CYS A 82 -2.990 -1.341 6.932 1.00 0.00 O ATOM 1217 CB CYS A 82 -4.768 -1.125 4.605 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.326 -1.234 2.874 1.00 0.00 S ATOM 0 H CYS A 82 -5.568 -2.536 6.771 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.959 -3.091 4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.606 -0.805 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.003 -0.352 4.679 1.00 0.00 H new ATOM 1223 N HIS A 83 -1.845 -2.744 5.604 1.00 0.00 N ATOM 1224 CA HIS A 83 -0.579 -2.548 6.309 1.00 0.00 C ATOM 1225 C HIS A 83 0.600 -2.511 5.344 1.00 0.00 C ATOM 1226 O HIS A 83 0.770 -3.411 4.522 1.00 0.00 O ATOM 1227 CB HIS A 83 -0.370 -3.651 7.346 1.00 0.00 C ATOM 1228 CG HIS A 83 -1.595 -3.925 8.153 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -2.872 -4.097 7.761 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -1.595 -4.033 9.528 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -3.622 -4.305 8.892 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -2.827 -4.263 9.946 1.00 0.00 N flip ATOM 0 H HIS A 83 -1.794 -3.391 4.817 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.631 -1.584 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.062 -4.566 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.443 -3.367 8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.726 -3.944 10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.688 -4.475 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.115 -4.387 10.917 1.00 0.00 H new ATOM 1241 N CYS A 84 1.414 -1.465 5.453 1.00 0.00 N ATOM 1242 CA CYS A 84 2.577 -1.310 4.591 1.00 0.00 C ATOM 1243 C CYS A 84 3.777 -2.065 5.150 1.00 0.00 C ATOM 1244 O CYS A 84 4.261 -1.759 6.240 1.00 0.00 O ATOM 1245 CB CYS A 84 2.920 0.170 4.415 1.00 0.00 C ATOM 1246 SG CYS A 84 3.184 1.070 5.978 1.00 0.00 S ATOM 0 H CYS A 84 1.288 -0.713 6.131 1.00 0.00 H new ATOM 0 HA CYS A 84 2.331 -1.732 3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.820 0.252 3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.115 0.654 3.862 1.00 0.00 H new ATOM 1251 N SER A 85 4.250 -3.053 4.392 1.00 0.00 N ATOM 1252 CA SER A 85 5.397 -3.862 4.804 1.00 0.00 C ATOM 1253 C SER A 85 5.290 -5.279 4.248 1.00 0.00 C ATOM 1254 O SER A 85 4.415 -5.571 3.433 1.00 0.00 O ATOM 1255 CB SER A 85 5.500 -3.910 6.331 1.00 0.00 C ATOM 1256 OG SER A 85 4.216 -3.978 6.928 1.00 0.00 O ATOM 0 H SER A 85 3.856 -3.313 3.488 1.00 0.00 H new ATOM 0 HA SER A 85 6.297 -3.397 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.090 -4.776 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.025 -3.025 6.691 1.00 0.00 H new ATOM 0 HG SER A 85 3.946 -3.084 7.225 1.00 0.00 H new ATOM 1262 N THR A 86 6.185 -6.156 4.694 1.00 0.00 N ATOM 1263 CA THR A 86 6.187 -7.541 4.237 1.00 0.00 C ATOM 1264 C THR A 86 6.105 -7.606 2.715 1.00 0.00 C ATOM 1265 O THR A 86 5.031 -7.819 2.152 1.00 0.00 O ATOM 1266 CB THR A 86 5.013 -8.303 4.855 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.121 -8.330 6.268 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.908 -9.736 4.376 1.00 0.00 C ATOM 0 H THR A 86 6.916 -5.932 5.369 1.00 0.00 H new ATOM 0 HA THR A 86 7.120 -8.005 4.555 1.00 0.00 H new ATOM 0 HB THR A 86 4.121 -7.765 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.361 -8.820 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.055 -10.218 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.774 -9.749 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.820 -10.274 4.635 1.00 0.00 H new ATOM 1276 N CYS A 87 7.244 -7.417 2.054 1.00 0.00 N ATOM 1277 CA CYS A 87 7.294 -7.451 0.596 1.00 0.00 C ATOM 1278 C CYS A 87 8.695 -7.122 0.087 1.00 0.00 C ATOM 1279 O CYS A 87 8.950 -6.012 -0.378 1.00 0.00 O ATOM 1280 CB CYS A 87 6.282 -6.460 0.012 1.00 0.00 C ATOM 1281 SG CYS A 87 5.827 -5.108 1.147 1.00 0.00 S ATOM 0 H CYS A 87 8.142 -7.239 2.504 1.00 0.00 H new ATOM 0 HA CYS A 87 7.040 -8.460 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.695 -6.031 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.380 -7.002 -0.271 1.00 0.00 H new ATOM 1286 N TYR A 88 9.600 -8.095 0.173 1.00 0.00 N ATOM 1287 CA TYR A 88 10.974 -7.901 -0.286 1.00 0.00 C ATOM 1288 C TYR A 88 11.875 -9.056 0.144 1.00 0.00 C ATOM 1289 O TYR A 88 13.066 -8.865 0.391 1.00 0.00 O ATOM 1290 CB TYR A 88 11.531 -6.583 0.255 1.00 0.00 C ATOM 1291 CG TYR A 88 12.180 -5.718 -0.802 1.00 0.00 C ATOM 1292 CD1 TYR A 88 13.362 -6.109 -1.418 1.00 0.00 C ATOM 1293 CD2 TYR A 88 11.610 -4.509 -1.183 1.00 0.00 C ATOM 1294 CE1 TYR A 88 13.959 -5.321 -2.383 1.00 0.00 C ATOM 1295 CE2 TYR A 88 12.200 -3.716 -2.149 1.00 0.00 C ATOM 1296 CZ TYR A 88 13.374 -4.126 -2.746 1.00 0.00 C ATOM 1297 OH TYR A 88 13.964 -3.339 -3.708 1.00 0.00 O ATOM 0 H TYR A 88 9.408 -9.021 0.554 1.00 0.00 H new ATOM 0 HA TYR A 88 10.958 -7.869 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.723 -6.023 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.262 -6.800 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 88 13.822 -7.045 -1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.692 -4.184 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.879 -5.639 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.744 -2.780 -2.435 1.00 0.00 H new ATOM 0 HH TYR A 88 13.425 -2.533 -3.847 1.00 0.00 H new ATOM 1307 N TYR A 89 11.304 -10.254 0.228 1.00 0.00 N ATOM 1308 CA TYR A 89 12.060 -11.436 0.626 1.00 0.00 C ATOM 1309 C TYR A 89 11.144 -12.649 0.751 1.00 0.00 C ATOM 1310 O TYR A 89 10.482 -12.833 1.772 1.00 0.00 O ATOM 1311 CB TYR A 89 12.777 -11.187 1.955 1.00 0.00 C ATOM 1312 CG TYR A 89 13.938 -12.123 2.202 1.00 0.00 C ATOM 1313 CD1 TYR A 89 15.049 -12.118 1.369 1.00 0.00 C ATOM 1314 CD2 TYR A 89 13.921 -13.011 3.270 1.00 0.00 C ATOM 1315 CE1 TYR A 89 16.112 -12.972 1.593 1.00 0.00 C ATOM 1316 CE2 TYR A 89 14.980 -13.868 3.501 1.00 0.00 C ATOM 1317 CZ TYR A 89 16.073 -13.845 2.660 1.00 0.00 C ATOM 1318 OH TYR A 89 17.129 -14.697 2.888 1.00 0.00 O ATOM 0 H TYR A 89 10.320 -10.431 0.026 1.00 0.00 H new ATOM 0 HA TYR A 89 12.802 -11.639 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.139 -10.159 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.060 -11.289 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.083 -11.436 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.067 -13.032 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.969 -12.956 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 89 14.952 -14.552 4.336 1.00 0.00 H new ATOM 0 HH TYR A 89 16.943 -15.244 3.679 1.00 0.00 H new ATOM 1328 N HIS A 90 11.109 -13.470 -0.296 1.00 0.00 N ATOM 1329 CA HIS A 90 10.271 -14.668 -0.308 1.00 0.00 C ATOM 1330 C HIS A 90 10.071 -15.210 1.104 1.00 0.00 C ATOM 1331 O HIS A 90 10.995 -15.754 1.708 1.00 0.00 O ATOM 1332 CB HIS A 90 10.888 -15.753 -1.197 1.00 0.00 C ATOM 1333 CG HIS A 90 12.191 -15.357 -1.822 1.00 0.00 C ATOM 1334 ND1 HIS A 90 13.338 -14.898 -1.267 1.00 0.00 N flip ATOM 1335 CD2 HIS A 90 12.421 -15.410 -3.181 1.00 0.00 C flip ATOM 1336 CE1 HIS A 90 14.229 -14.686 -2.290 1.00 0.00 C flip ATOM 1337 NE2 HIS A 90 13.651 -15.003 -3.434 1.00 0.00 N flip ATOM 0 H HIS A 90 11.651 -13.328 -1.148 1.00 0.00 H new ATOM 0 HA HIS A 90 9.299 -14.387 -0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 90 11.040 -16.653 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.181 -16.008 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.706 -15.734 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 90 15.239 -14.319 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 90 14.082 -14.944 -4.357 1.00 0.00 H new ATOM 1346 N LYS A 91 8.859 -15.056 1.625 1.00 0.00 N ATOM 1347 CA LYS A 91 8.538 -15.529 2.966 1.00 0.00 C ATOM 1348 C LYS A 91 7.475 -16.621 2.918 1.00 0.00 C ATOM 1349 O LYS A 91 7.172 -17.251 3.930 1.00 0.00 O ATOM 1350 CB LYS A 91 8.055 -14.365 3.834 1.00 0.00 C ATOM 1351 CG LYS A 91 8.904 -14.134 5.074 1.00 0.00 C ATOM 1352 CD LYS A 91 9.951 -13.057 4.839 1.00 0.00 C ATOM 1353 CE LYS A 91 9.861 -11.955 5.883 1.00 0.00 C ATOM 1354 NZ LYS A 91 10.934 -12.076 6.908 1.00 0.00 N ATOM 0 H LYS A 91 8.083 -14.607 1.139 1.00 0.00 H new ATOM 0 HA LYS A 91 9.443 -15.950 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.048 -13.455 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.026 -14.554 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.263 -13.844 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.395 -15.065 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.945 -13.503 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.818 -12.630 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.934 -10.984 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.887 -11.994 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.839 -11.307 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.849 -12.992 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.864 -12.013 6.446 1.00 0.00 H new ATOM 1368 N SER A 92 6.912 -16.838 1.733 1.00 0.00 N ATOM 1369 CA SER A 92 5.882 -17.853 1.549 1.00 0.00 C ATOM 1370 C SER A 92 6.134 -19.055 2.452 1.00 0.00 C ATOM 1371 O SER A 92 7.259 -19.599 2.414 1.00 0.00 O ATOM 1372 CB SER A 92 5.836 -18.300 0.087 1.00 0.00 C ATOM 1373 OG SER A 92 6.024 -17.203 -0.789 1.00 0.00 O ATOM 1374 OXT SER A 92 5.205 -19.445 3.190 1.00 0.00 O ATOM 0 H SER A 92 7.153 -16.324 0.886 1.00 0.00 H new ATOM 0 HA SER A 92 4.922 -17.414 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.608 -19.048 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.877 -18.775 -0.121 1.00 0.00 H new ATOM 0 HG SER A 92 5.992 -17.516 -1.717 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 15.738 -3.506 -18.541 1.00 0.00 C HETATM 1382 C2 NAG A1052 15.858 -2.180 -19.282 1.00 0.00 C HETATM 1383 C3 NAG A1052 16.395 -2.409 -20.686 1.00 0.00 C HETATM 1384 C4 NAG A1052 17.682 -3.208 -20.634 1.00 0.00 C HETATM 1385 C5 NAG A1052 17.495 -4.481 -19.821 1.00 0.00 C HETATM 1386 C6 NAG A1052 18.794 -5.238 -19.634 1.00 0.00 C HETATM 1387 C7 NAG A1052 14.409 -0.336 -19.870 1.00 0.00 C HETATM 1388 C8 NAG A1052 13.008 0.254 -19.897 1.00 0.00 C HETATM 1389 N2 NAG A1052 14.549 -1.555 -19.355 1.00 0.00 N HETATM 1390 O3 NAG A1052 16.655 -1.157 -21.302 1.00 0.00 O HETATM 1391 O4 NAG A1052 18.066 -3.553 -21.957 1.00 0.00 O HETATM 1392 O5 NAG A1052 16.997 -4.186 -18.504 1.00 0.00 O HETATM 1393 O6 NAG A1052 18.592 -6.440 -18.906 1.00 0.00 O HETATM 1394 O7 NAG A1052 15.355 0.318 -20.307 1.00 0.00 O HETATM 0 HO6 NAG A1052 17.794 -6.352 -18.344 1.00 0.00 H new HETATM 0 HO4 NAG A1052 19.020 -3.775 -21.973 1.00 0.00 H new HETATM 0 HO3 NAG A1052 16.541 -0.439 -20.645 1.00 0.00 H new HETATM 0 HN2 NAG A1052 13.730 -2.055 -19.009 1.00 0.00 H new HETATM 0 H83 NAG A1052 12.355 -0.387 -20.489 1.00 0.00 H new HETATM 0 H82 NAG A1052 12.623 0.324 -18.880 1.00 0.00 H new HETATM 0 H81 NAG A1052 13.041 1.249 -20.342 1.00 0.00 H new HETATM 0 H62 NAG A1052 19.226 -5.469 -20.608 1.00 0.00 H new HETATM 0 H61 NAG A1052 19.512 -4.608 -19.108 1.00 0.00 H new HETATM 0 H5 NAG A1052 16.786 -5.087 -20.385 1.00 0.00 H new HETATM 0 H4 NAG A1052 18.453 -2.601 -20.159 1.00 0.00 H new HETATM 0 H3 NAG A1052 15.651 -2.963 -21.259 1.00 0.00 H new HETATM 0 H2 NAG A1052 16.549 -1.530 -18.745 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -15.568 -4.932 3.078 1.00 0.00 C HETATM 1405 C2 NAG A1078 -16.922 -5.580 3.290 1.00 0.00 C HETATM 1406 C3 NAG A1078 -17.566 -5.078 4.572 1.00 0.00 C HETATM 1407 C4 NAG A1078 -16.607 -5.226 5.736 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.276 -4.567 5.418 1.00 0.00 C HETATM 1409 C6 NAG A1078 -14.252 -4.773 6.515 1.00 0.00 C HETATM 1410 C7 NAG A1078 -18.242 -6.245 1.392 1.00 0.00 C HETATM 1411 C8 NAG A1078 -19.130 -5.850 0.225 1.00 0.00 C HETATM 1412 N2 NAG A1078 -17.783 -5.269 2.167 1.00 0.00 N HETATM 1413 O3 NAG A1078 -18.739 -5.834 4.834 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.170 -4.611 6.887 1.00 0.00 O HETATM 1415 O5 NAG A1078 -14.711 -5.114 4.213 1.00 0.00 O HETATM 1416 O6 NAG A1078 -14.692 -4.211 7.744 1.00 0.00 O HETATM 1417 O7 NAG A1078 -17.978 -7.432 1.587 1.00 0.00 O HETATM 0 HO6 NAG A1078 -14.012 -4.360 8.434 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -16.452 -4.328 7.491 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.156 -5.514 5.661 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -18.037 -4.301 1.972 1.00 0.00 H new HETATM 0 H83 NAG A1078 -20.016 -5.337 0.599 1.00 0.00 H new HETATM 0 H82 NAG A1078 -18.580 -5.185 -0.442 1.00 0.00 H new HETATM 0 H81 NAG A1078 -19.432 -6.744 -0.321 1.00 0.00 H new HETATM 0 H62 NAG A1078 -14.066 -5.839 6.646 1.00 0.00 H new HETATM 0 H61 NAG A1078 -13.306 -4.318 6.222 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.491 -3.504 5.310 1.00 0.00 H new HETATM 0 H4 NAG A1078 -16.439 -6.287 5.920 1.00 0.00 H new HETATM 0 H3 NAG A1078 -17.819 -4.024 4.452 1.00 0.00 H new HETATM 0 H2 NAG A1078 -16.784 -6.658 3.369 1.00 0.00 H new