USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl 174:sc= -0.639 (180deg=-0.837) USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -1.46 F(o=-6.9!,f=-2.1) USER MOD Set 2.1: A 12 MET CE :methyl 166:sc= -1.66 (180deg=-2.63!) USER MOD Set 2.2: A 17 MET CE :methyl -107:sc= -1.79 (180deg=-3.6!) USER MOD Set 2.3: A 68 MET CE :methyl -153:sc= -0.895 (180deg=-3.1!) USER MOD Set 3.1: A 28 GLN :FLIP amide:sc= -7.29! C(o=-16!,f=-15!) USER MOD Set 3.2: A 29 MET CE :methyl -134:sc= -1.61 (180deg=-3.09!) USER MOD Set 3.3: A 78 GLN : amide:sc= -6.17! C(o=-15!,f=-15!) USER MOD Set 4.1: A 25 MET CE :methyl -166:sc= -2.15 (180deg=-2.67) USER MOD Set 4.2: A 73 GLN :FLIP amide:sc= -0.386 F(o=-15,f=-11) USER MOD Set 4.3: A 84 MET CE :methyl -113:sc= -1.09 (180deg=-1.45) USER MOD Set 4.4: A 87 MET CE :methyl 158:sc= -7.76! (180deg=-8.22!) USER MOD Set 5.1: A 23 MET CE :methyl -163:sc= -2.2! (180deg=-0.343) USER MOD Set 5.2: A 27 GLN :FLIP amide:sc= -5.6! C(o=-11!,f=-7.8!) USER MOD Set 6.1: A 20 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Set 6.2: A 52 GLN : amide:sc= -0.0233 K(o=-1.4,f=-2.4) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.544 K(o=-0.54,f=-1.9) USER MOD Single : A 11 GLN : amide:sc= -3.16! C(o=-3.2!,f=-3.9!) USER MOD Single : A 13 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4!) USER MOD Single : A 15 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.7!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 148:sc= -2.21! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 34 TYR OH : rot 145:sc= 0.948 USER MOD Single : A 35 GLN :FLIP amide:sc= -4.33! C(o=-13!,f=-4.3!) USER MOD Single : A 36 THR OG1 : rot 37:sc= 0.37 USER MOD Single : A 37 MET CE :methyl 163:sc= -0.19 (180deg=-0.685) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.996 K(o=-1,f=-2.5) USER MOD Single : A 46 MET CE :methyl 146:sc= -0.866 (180deg=-3.33!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -113:sc= -1.46 (180deg=-6.23!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -161:sc= -0.47 (180deg=-1.35!) USER MOD Single : A 69 MET CE :methyl 126:sc= -0.104 (180deg=-0.793) USER MOD Single : A 72 MET CE :methyl -163:sc= -3.29 (180deg=-3.85!) USER MOD Single : A 75 LYS NZ :NH3+ 133:sc= -0.0391 (180deg=-0.429) USER MOD Single : A 77 MET CE :methyl -136:sc= -0.266 (180deg=-0.904) USER MOD Single : A 83 GLN : amide:sc= -2.62 K(o=-2.6,f=-4.3) USER MOD Single : A 88 MET CE :methyl -148:sc= -0.146 (180deg=-1.57!) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.183 F(o=-1.9!,f=-0.18) USER MOD Single : A 96 SER OG : rot 62:sc= 0.568 USER MOD Single : A 99 ASN :FLIP amide:sc= -2.64! C(o=-4.7!,f=-2.6!) USER MOD Single : A 101 SER OG : rot 49:sc= 0.354 USER MOD Single : A 103 MET CE :methyl -157:sc= -0.157 (180deg=-1.04) USER MOD Single : A 107 MET CE :methyl 150:sc= -1.51 (180deg=-1.79) USER MOD Single : A 110 SER OG : rot -125:sc= 0.791 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.106 45.390 -7.000 1.00 0.00 N ATOM 2 CA GLU A 1 0.934 44.510 -7.268 1.00 0.00 C ATOM 3 C GLU A 1 0.099 45.107 -8.396 1.00 0.00 C ATOM 4 O GLU A 1 -0.212 46.298 -8.387 1.00 0.00 O ATOM 5 CB GLU A 1 0.087 44.390 -5.997 1.00 0.00 C ATOM 6 CG GLU A 1 -1.097 43.448 -6.251 1.00 0.00 C ATOM 7 CD GLU A 1 -0.608 42.016 -6.473 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.405 41.655 -5.896 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.261 41.297 -7.213 1.00 0.00 O ATOM 0 H1 GLU A 1 2.676 44.984 -6.231 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.687 45.466 -7.859 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.774 46.336 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 1 1.278 43.519 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.696 44.011 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.276 45.373 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.780 43.477 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.657 43.786 -7.123 1.00 0.00 H new ATOM 18 N ALA A 2 -0.264 44.268 -9.363 1.00 0.00 N ATOM 19 CA ALA A 2 -1.068 44.719 -10.494 1.00 0.00 C ATOM 20 C ALA A 2 -2.490 45.041 -10.043 1.00 0.00 C ATOM 21 O ALA A 2 -3.079 44.309 -9.245 1.00 0.00 O ATOM 22 CB ALA A 2 -1.107 43.636 -11.574 1.00 0.00 C ATOM 0 H ALA A 2 -0.016 43.279 -9.386 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.613 45.621 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.709 43.982 -12.414 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.093 43.427 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.546 42.727 -11.162 1.00 0.00 H new ATOM 28 N GLU A 3 -3.033 46.139 -10.560 1.00 0.00 N ATOM 29 CA GLU A 3 -4.388 46.556 -10.210 1.00 0.00 C ATOM 30 C GLU A 3 -5.411 45.512 -10.658 1.00 0.00 C ATOM 31 O GLU A 3 -6.526 45.461 -10.137 1.00 0.00 O ATOM 32 CB GLU A 3 -4.709 47.909 -10.860 1.00 0.00 C ATOM 33 CG GLU A 3 -4.902 47.744 -12.374 1.00 0.00 C ATOM 34 CD GLU A 3 -3.630 47.200 -13.022 1.00 0.00 C ATOM 35 OE1 GLU A 3 -2.596 47.833 -12.876 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.707 46.158 -13.651 1.00 0.00 O ATOM 0 H GLU A 3 -2.558 46.754 -11.220 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.444 46.655 -9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.612 48.328 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.901 48.614 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.734 47.067 -12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.162 48.704 -12.820 1.00 0.00 H new ATOM 43 N ALA A 4 -5.023 44.689 -11.629 1.00 0.00 N ATOM 44 CA ALA A 4 -5.913 43.654 -12.149 1.00 0.00 C ATOM 45 C ALA A 4 -6.198 42.598 -11.094 1.00 0.00 C ATOM 46 O ALA A 4 -7.072 41.747 -11.273 1.00 0.00 O ATOM 47 CB ALA A 4 -5.297 43.001 -13.388 1.00 0.00 C ATOM 0 H ALA A 4 -4.104 44.718 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.856 44.127 -12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.970 42.231 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.141 43.757 -14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.341 42.549 -13.124 1.00 0.00 H new ATOM 53 N GLN A 5 -5.469 42.668 -9.991 1.00 0.00 N ATOM 54 CA GLN A 5 -5.654 41.730 -8.896 1.00 0.00 C ATOM 55 C GLN A 5 -7.128 41.662 -8.498 1.00 0.00 C ATOM 56 O GLN A 5 -7.648 40.591 -8.183 1.00 0.00 O ATOM 57 CB GLN A 5 -4.828 42.201 -7.704 1.00 0.00 C ATOM 58 CG GLN A 5 -5.043 41.258 -6.515 1.00 0.00 C ATOM 59 CD GLN A 5 -4.263 41.754 -5.301 1.00 0.00 C ATOM 60 OE1 GLN A 5 -3.098 41.405 -5.125 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.843 42.554 -4.448 1.00 0.00 N ATOM 0 H GLN A 5 -4.743 43.366 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.332 40.738 -9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.772 42.229 -7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.115 43.216 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.105 41.200 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.720 40.251 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.810 42.843 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.329 42.891 -3.634 1.00 0.00 H new ATOM 70 N GLU A 6 -7.787 42.818 -8.512 1.00 0.00 N ATOM 71 CA GLU A 6 -9.199 42.898 -8.151 1.00 0.00 C ATOM 72 C GLU A 6 -10.037 41.929 -8.985 1.00 0.00 C ATOM 73 O GLU A 6 -10.983 41.325 -8.479 1.00 0.00 O ATOM 74 CB GLU A 6 -9.704 44.332 -8.352 1.00 0.00 C ATOM 75 CG GLU A 6 -9.748 44.665 -9.847 1.00 0.00 C ATOM 76 CD GLU A 6 -10.032 46.151 -10.043 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.171 46.548 -9.855 1.00 0.00 O ATOM 78 OE2 GLU A 6 -9.106 46.873 -10.378 1.00 0.00 O ATOM 0 H GLU A 6 -7.366 43.711 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.301 42.618 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.697 44.441 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.050 45.033 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.799 44.403 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.519 44.071 -10.338 1.00 0.00 H new ATOM 85 N GLU A 7 -9.676 41.776 -10.260 1.00 0.00 N ATOM 86 CA GLU A 7 -10.393 40.868 -11.145 1.00 0.00 C ATOM 87 C GLU A 7 -10.418 39.483 -10.529 1.00 0.00 C ATOM 88 O GLU A 7 -11.446 38.806 -10.526 1.00 0.00 O ATOM 89 CB GLU A 7 -9.700 40.811 -12.514 1.00 0.00 C ATOM 90 CG GLU A 7 -10.667 40.276 -13.582 1.00 0.00 C ATOM 91 CD GLU A 7 -11.135 38.865 -13.232 1.00 0.00 C ATOM 92 OE1 GLU A 7 -10.286 38.010 -13.033 1.00 0.00 O ATOM 93 OE2 GLU A 7 -12.336 38.659 -13.171 1.00 0.00 O ATOM 0 H GLU A 7 -8.896 42.267 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.413 41.228 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.352 41.805 -12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.820 40.170 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.528 40.939 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.175 40.270 -14.554 1.00 0.00 H new ATOM 100 N CYS A 8 -9.268 39.072 -10.010 1.00 0.00 N ATOM 101 CA CYS A 8 -9.147 37.763 -9.399 1.00 0.00 C ATOM 102 C CYS A 8 -10.025 37.666 -8.157 1.00 0.00 C ATOM 103 O CYS A 8 -10.785 36.710 -8.001 1.00 0.00 O ATOM 104 CB CYS A 8 -7.688 37.491 -9.032 1.00 0.00 C ATOM 105 SG CYS A 8 -6.651 37.729 -10.496 1.00 0.00 S ATOM 0 H CYS A 8 -8.412 39.626 -10.002 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.481 37.014 -10.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.370 38.162 -8.234 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.579 36.474 -8.656 1.00 0.00 H new ATOM 110 N ARG A 9 -9.923 38.665 -7.281 1.00 0.00 N ATOM 111 CA ARG A 9 -10.728 38.678 -6.065 1.00 0.00 C ATOM 112 C ARG A 9 -12.209 38.601 -6.422 1.00 0.00 C ATOM 113 O ARG A 9 -12.957 37.808 -5.850 1.00 0.00 O ATOM 114 CB ARG A 9 -10.450 39.954 -5.263 1.00 0.00 C ATOM 115 CG ARG A 9 -11.190 39.892 -3.924 1.00 0.00 C ATOM 116 CD ARG A 9 -10.935 41.180 -3.137 1.00 0.00 C ATOM 117 NE ARG A 9 -11.534 41.088 -1.807 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.954 40.391 -0.831 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.826 39.770 -1.046 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.516 40.329 0.345 1.00 0.00 N ATOM 0 H ARG A 9 -9.299 39.465 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.462 37.814 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.379 40.062 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.773 40.828 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.259 39.763 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.852 39.030 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.863 41.354 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.354 42.031 -3.674 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.415 41.568 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.385 39.817 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.386 39.238 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.397 40.813 0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.074 39.796 1.094 1.00 0.00 H new ATOM 134 N GLU A 10 -12.617 39.424 -7.386 1.00 0.00 N ATOM 135 CA GLU A 10 -14.003 39.439 -7.839 1.00 0.00 C ATOM 136 C GLU A 10 -14.379 38.082 -8.427 1.00 0.00 C ATOM 137 O GLU A 10 -15.429 37.521 -8.113 1.00 0.00 O ATOM 138 CB GLU A 10 -14.186 40.533 -8.897 1.00 0.00 C ATOM 139 CG GLU A 10 -15.570 40.408 -9.547 1.00 0.00 C ATOM 140 CD GLU A 10 -15.498 39.492 -10.770 1.00 0.00 C ATOM 141 OE1 GLU A 10 -14.671 39.745 -11.632 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.269 38.547 -10.823 1.00 0.00 O ATOM 0 H GLU A 10 -12.008 40.087 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.653 39.646 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.078 41.516 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.409 40.449 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.284 40.009 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.932 41.393 -9.842 1.00 0.00 H new ATOM 149 N GLN A 11 -13.503 37.569 -9.286 1.00 0.00 N ATOM 150 CA GLN A 11 -13.722 36.282 -9.934 1.00 0.00 C ATOM 151 C GLN A 11 -13.869 35.168 -8.900 1.00 0.00 C ATOM 152 O GLN A 11 -14.613 34.212 -9.112 1.00 0.00 O ATOM 153 CB GLN A 11 -12.549 35.969 -10.871 1.00 0.00 C ATOM 154 CG GLN A 11 -12.916 34.803 -11.795 1.00 0.00 C ATOM 155 CD GLN A 11 -11.783 34.538 -12.786 1.00 0.00 C ATOM 156 OE1 GLN A 11 -10.769 35.237 -12.777 1.00 0.00 O ATOM 157 NE2 GLN A 11 -11.900 33.567 -13.648 1.00 0.00 N ATOM 0 H GLN A 11 -12.631 38.028 -9.550 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.646 36.339 -10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.301 36.850 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.663 35.717 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.109 33.908 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.835 35.032 -12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.740 32.989 -13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.151 33.385 -14.316 1.00 0.00 H new ATOM 166 N MET A 12 -13.141 35.292 -7.790 1.00 0.00 N ATOM 167 CA MET A 12 -13.181 34.278 -6.737 1.00 0.00 C ATOM 168 C MET A 12 -14.617 33.896 -6.383 1.00 0.00 C ATOM 169 O MET A 12 -14.920 32.715 -6.212 1.00 0.00 O ATOM 170 CB MET A 12 -12.460 34.788 -5.486 1.00 0.00 C ATOM 171 CG MET A 12 -12.349 33.656 -4.460 1.00 0.00 C ATOM 172 SD MET A 12 -11.331 32.323 -5.141 1.00 0.00 S ATOM 173 CE MET A 12 -10.048 32.328 -3.866 1.00 0.00 C ATOM 0 H MET A 12 -12.521 36.079 -7.598 1.00 0.00 H new ATOM 0 HA MET A 12 -12.675 33.389 -7.113 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.467 35.152 -5.749 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.005 35.629 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.907 34.030 -3.536 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.341 33.279 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.448 31.422 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.408 33.200 -3.997 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.514 32.365 -2.881 1.00 0.00 H new ATOM 183 N GLN A 13 -15.503 34.888 -6.284 1.00 0.00 N ATOM 184 CA GLN A 13 -16.899 34.604 -5.959 1.00 0.00 C ATOM 185 C GLN A 13 -17.490 33.662 -6.999 1.00 0.00 C ATOM 186 O GLN A 13 -18.158 32.689 -6.658 1.00 0.00 O ATOM 187 CB GLN A 13 -17.719 35.898 -5.913 1.00 0.00 C ATOM 188 CG GLN A 13 -17.368 36.694 -4.652 1.00 0.00 C ATOM 189 CD GLN A 13 -15.930 37.196 -4.720 1.00 0.00 C ATOM 190 OE1 GLN A 13 -15.031 36.593 -4.133 1.00 0.00 O ATOM 191 NE2 GLN A 13 -15.657 38.272 -5.403 1.00 0.00 N ATOM 0 H GLN A 13 -15.285 35.875 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.935 34.133 -4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.517 36.498 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.784 35.664 -5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.049 37.538 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.499 36.066 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.403 38.771 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.698 38.615 -5.452 1.00 0.00 H new ATOM 200 N ARG A 14 -17.203 33.944 -8.268 1.00 0.00 N ATOM 201 CA ARG A 14 -17.666 33.106 -9.357 1.00 0.00 C ATOM 202 C ARG A 14 -17.124 31.713 -9.141 1.00 0.00 C ATOM 203 O ARG A 14 -17.837 30.719 -9.289 1.00 0.00 O ATOM 204 CB ARG A 14 -17.176 33.661 -10.699 1.00 0.00 C ATOM 205 CG ARG A 14 -17.778 32.846 -11.848 1.00 0.00 C ATOM 206 CD ARG A 14 -17.216 33.350 -13.180 1.00 0.00 C ATOM 207 NE ARG A 14 -17.852 32.653 -14.294 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.031 33.043 -14.778 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.653 34.064 -14.252 1.00 0.00 N ATOM 210 NH2 ARG A 14 -19.567 32.400 -15.778 1.00 0.00 N ATOM 0 H ARG A 14 -16.650 34.750 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.756 33.087 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.461 34.709 -10.796 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.088 33.621 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.545 31.789 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.864 32.936 -11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.383 34.423 -13.270 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.138 33.192 -13.211 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.383 31.849 -14.712 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.237 34.566 -13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -20.555 34.359 -14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.084 31.601 -16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.469 32.697 -16.150 1.00 0.00 H new ATOM 224 N GLN A 15 -15.847 31.660 -8.764 1.00 0.00 N ATOM 225 CA GLN A 15 -15.207 30.396 -8.499 1.00 0.00 C ATOM 226 C GLN A 15 -15.668 29.887 -7.143 1.00 0.00 C ATOM 227 O GLN A 15 -14.947 29.967 -6.147 1.00 0.00 O ATOM 228 CB GLN A 15 -13.680 30.554 -8.519 1.00 0.00 C ATOM 229 CG GLN A 15 -13.245 31.317 -9.778 1.00 0.00 C ATOM 230 CD GLN A 15 -13.835 30.674 -11.031 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.507 29.535 -11.362 1.00 0.00 O ATOM 232 NE2 GLN A 15 -14.692 31.343 -11.754 1.00 0.00 N ATOM 0 H GLN A 15 -15.249 32.477 -8.639 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.482 29.679 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.350 31.089 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.205 29.573 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.569 32.356 -9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.157 31.326 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.964 32.287 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.090 30.922 -12.593 1.00 0.00 H new ATOM 241 N GLN A 16 -16.886 29.373 -7.123 1.00 0.00 N ATOM 242 CA GLN A 16 -17.481 28.850 -5.898 1.00 0.00 C ATOM 243 C GLN A 16 -16.958 27.449 -5.594 1.00 0.00 C ATOM 244 O GLN A 16 -17.699 26.580 -5.128 1.00 0.00 O ATOM 245 CB GLN A 16 -19.005 28.839 -6.038 1.00 0.00 C ATOM 246 CG GLN A 16 -19.486 30.275 -6.256 1.00 0.00 C ATOM 247 CD GLN A 16 -21.004 30.330 -6.387 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.666 29.295 -6.479 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.596 31.494 -6.404 1.00 0.00 N ATOM 0 H GLN A 16 -17.487 29.305 -7.944 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.202 29.495 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.303 28.209 -6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.464 28.418 -5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.167 30.900 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.025 30.684 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.044 32.348 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.611 31.549 -6.494 1.00 0.00 H new ATOM 258 N MET A 17 -15.672 27.243 -5.861 1.00 0.00 N ATOM 259 CA MET A 17 -15.035 25.950 -5.615 1.00 0.00 C ATOM 260 C MET A 17 -14.992 25.632 -4.122 1.00 0.00 C ATOM 261 O MET A 17 -14.939 24.468 -3.730 1.00 0.00 O ATOM 262 CB MET A 17 -13.613 25.949 -6.195 1.00 0.00 C ATOM 263 CG MET A 17 -12.566 25.895 -5.077 1.00 0.00 C ATOM 264 SD MET A 17 -10.995 26.524 -5.708 1.00 0.00 S ATOM 265 CE MET A 17 -11.569 28.202 -6.074 1.00 0.00 C ATOM 0 H MET A 17 -15.050 27.953 -6.247 1.00 0.00 H new ATOM 0 HA MET A 17 -15.627 25.179 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.487 25.093 -6.858 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.461 26.844 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.895 26.490 -4.225 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.446 24.871 -4.723 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.661 28.328 -7.153 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.540 28.365 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.852 28.925 -5.684 1.00 0.00 H new ATOM 275 N LEU A 18 -14.994 26.678 -3.299 1.00 0.00 N ATOM 276 CA LEU A 18 -14.926 26.504 -1.851 1.00 0.00 C ATOM 277 C LEU A 18 -16.083 25.641 -1.338 1.00 0.00 C ATOM 278 O LEU A 18 -15.966 25.010 -0.291 1.00 0.00 O ATOM 279 CB LEU A 18 -14.932 27.865 -1.137 1.00 0.00 C ATOM 280 CG LEU A 18 -15.707 28.903 -1.958 1.00 0.00 C ATOM 281 CD1 LEU A 18 -17.071 28.334 -2.347 1.00 0.00 C ATOM 282 CD2 LEU A 18 -15.905 30.171 -1.124 1.00 0.00 C ATOM 0 H LEU A 18 -15.042 27.649 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.990 25.991 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.385 27.762 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.908 28.206 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.143 29.144 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.621 29.073 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.932 27.432 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.634 28.091 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.456 30.908 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.467 29.929 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.933 30.580 -0.847 1.00 0.00 H new ATOM 294 N SER A 19 -17.195 25.610 -2.078 1.00 0.00 N ATOM 295 CA SER A 19 -18.346 24.804 -1.674 1.00 0.00 C ATOM 296 C SER A 19 -18.009 23.321 -1.793 1.00 0.00 C ATOM 297 O SER A 19 -18.108 22.563 -0.823 1.00 0.00 O ATOM 298 CB SER A 19 -19.551 25.135 -2.556 1.00 0.00 C ATOM 299 OG SER A 19 -20.693 24.439 -2.073 1.00 0.00 O ATOM 0 H SER A 19 -17.321 26.127 -2.948 1.00 0.00 H new ATOM 0 HA SER A 19 -18.591 25.032 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.736 26.209 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.349 24.852 -3.589 1.00 0.00 H new ATOM 0 HG SER A 19 -21.467 24.651 -2.635 1.00 0.00 H new ATOM 305 N HIS A 20 -17.580 22.926 -2.990 1.00 0.00 N ATOM 306 CA HIS A 20 -17.195 21.543 -3.239 1.00 0.00 C ATOM 307 C HIS A 20 -15.997 21.228 -2.369 1.00 0.00 C ATOM 308 O HIS A 20 -15.859 20.130 -1.830 1.00 0.00 O ATOM 309 CB HIS A 20 -16.824 21.349 -4.715 1.00 0.00 C ATOM 310 CG HIS A 20 -17.620 22.300 -5.569 1.00 0.00 C ATOM 311 ND1 HIS A 20 -17.067 22.951 -6.660 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.917 22.741 -5.487 1.00 0.00 C ATOM 313 CE1 HIS A 20 -18.019 23.743 -7.185 1.00 0.00 C ATOM 314 NE2 HIS A 20 -19.165 23.655 -6.507 1.00 0.00 N ATOM 0 H HIS A 20 -17.491 23.543 -3.798 1.00 0.00 H new ATOM 0 HA HIS A 20 -18.027 20.878 -3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.757 21.523 -4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.022 20.321 -5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.636 22.427 -4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.874 24.373 -8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -20.036 24.151 -6.696 1.00 0.00 H new ATOM 322 N CYS A 21 -15.142 22.231 -2.238 1.00 0.00 N ATOM 323 CA CYS A 21 -13.947 22.122 -1.431 1.00 0.00 C ATOM 324 C CYS A 21 -14.322 21.858 0.026 1.00 0.00 C ATOM 325 O CYS A 21 -13.740 20.991 0.677 1.00 0.00 O ATOM 326 CB CYS A 21 -13.148 23.417 -1.564 1.00 0.00 C ATOM 327 SG CYS A 21 -12.094 23.307 -3.036 1.00 0.00 S ATOM 0 H CYS A 21 -15.261 23.138 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.336 21.287 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.822 24.269 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.538 23.577 -0.675 1.00 0.00 H new ATOM 332 N ARG A 22 -15.319 22.589 0.527 1.00 0.00 N ATOM 333 CA ARG A 22 -15.775 22.386 1.898 1.00 0.00 C ATOM 334 C ARG A 22 -16.211 20.936 2.060 1.00 0.00 C ATOM 335 O ARG A 22 -15.846 20.255 3.028 1.00 0.00 O ATOM 336 CB ARG A 22 -16.945 23.326 2.215 1.00 0.00 C ATOM 337 CG ARG A 22 -17.286 23.242 3.708 1.00 0.00 C ATOM 338 CD ARG A 22 -16.162 23.881 4.531 1.00 0.00 C ATOM 339 NE ARG A 22 -15.473 22.862 5.319 1.00 0.00 N ATOM 340 CZ ARG A 22 -14.415 23.165 6.069 1.00 0.00 C ATOM 341 NH1 ARG A 22 -13.969 24.392 6.112 1.00 0.00 N ATOM 342 NH2 ARG A 22 -13.821 22.234 6.762 1.00 0.00 N ATOM 0 H ARG A 22 -15.818 23.315 0.012 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.962 22.607 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.684 24.350 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.815 23.054 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.229 23.752 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.419 22.201 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.454 24.379 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.573 24.645 5.191 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.809 21.899 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.431 25.122 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.158 24.620 6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.167 21.275 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.011 22.465 7.337 1.00 0.00 H new ATOM 356 N MET A 23 -16.971 20.453 1.077 1.00 0.00 N ATOM 357 CA MET A 23 -17.415 19.071 1.102 1.00 0.00 C ATOM 358 C MET A 23 -16.189 18.174 1.207 1.00 0.00 C ATOM 359 O MET A 23 -16.143 17.256 2.022 1.00 0.00 O ATOM 360 CB MET A 23 -18.205 18.743 -0.169 1.00 0.00 C ATOM 361 CG MET A 23 -18.909 17.393 -0.007 1.00 0.00 C ATOM 362 SD MET A 23 -20.348 17.588 1.075 1.00 0.00 S ATOM 363 CE MET A 23 -20.500 15.854 1.572 1.00 0.00 C ATOM 0 H MET A 23 -17.284 20.992 0.270 1.00 0.00 H new ATOM 0 HA MET A 23 -18.070 18.907 1.958 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.939 19.525 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.534 18.713 -1.028 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.221 17.015 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.221 16.660 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.489 15.682 1.996 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.362 15.213 0.702 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.740 15.622 2.318 1.00 0.00 H new ATOM 373 N TYR A 24 -15.175 18.484 0.397 1.00 0.00 N ATOM 374 CA TYR A 24 -13.932 17.727 0.423 1.00 0.00 C ATOM 375 C TYR A 24 -13.379 17.681 1.843 1.00 0.00 C ATOM 376 O TYR A 24 -12.884 16.651 2.282 1.00 0.00 O ATOM 377 CB TYR A 24 -12.903 18.356 -0.530 1.00 0.00 C ATOM 378 CG TYR A 24 -11.502 18.126 -0.005 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.949 16.840 -0.025 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.761 19.198 0.510 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.658 16.625 0.468 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.469 18.982 1.004 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.918 17.695 0.982 1.00 0.00 C ATOM 384 OH TYR A 24 -7.644 17.482 1.467 1.00 0.00 O ATOM 0 H TYR A 24 -15.194 19.248 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.134 16.709 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.003 17.922 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.092 19.425 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.520 16.013 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.186 20.191 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.232 15.633 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.898 19.808 1.402 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.096 18.279 1.309 1.00 0.00 H new ATOM 394 N MET A 25 -13.467 18.806 2.555 1.00 0.00 N ATOM 395 CA MET A 25 -12.973 18.870 3.929 1.00 0.00 C ATOM 396 C MET A 25 -13.664 17.815 4.790 1.00 0.00 C ATOM 397 O MET A 25 -13.021 17.100 5.561 1.00 0.00 O ATOM 398 CB MET A 25 -13.252 20.250 4.519 1.00 0.00 C ATOM 399 CG MET A 25 -12.532 21.324 3.699 1.00 0.00 C ATOM 400 SD MET A 25 -10.762 21.295 4.075 1.00 0.00 S ATOM 401 CE MET A 25 -10.868 22.015 5.734 1.00 0.00 C ATOM 0 H MET A 25 -13.871 19.675 2.207 1.00 0.00 H new ATOM 0 HA MET A 25 -11.899 18.683 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 25 -14.325 20.443 4.524 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.917 20.286 5.556 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.690 21.150 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.946 22.307 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.874 22.320 6.062 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.526 22.884 5.712 1.00 0.00 H new ATOM 0 HE3 MET A 25 -11.267 21.275 6.427 1.00 0.00 H new ATOM 411 N ARG A 26 -14.984 17.715 4.655 1.00 0.00 N ATOM 412 CA ARG A 26 -15.727 16.726 5.432 1.00 0.00 C ATOM 413 C ARG A 26 -15.223 15.319 5.102 1.00 0.00 C ATOM 414 O ARG A 26 -14.858 14.534 5.992 1.00 0.00 O ATOM 415 CB ARG A 26 -17.223 16.829 5.114 1.00 0.00 C ATOM 416 CG ARG A 26 -18.017 15.921 6.058 1.00 0.00 C ATOM 417 CD ARG A 26 -19.490 15.913 5.645 1.00 0.00 C ATOM 418 NE ARG A 26 -20.040 17.265 5.702 1.00 0.00 N ATOM 419 CZ ARG A 26 -21.217 17.558 5.154 1.00 0.00 C ATOM 420 NH1 ARG A 26 -21.910 16.630 4.549 1.00 0.00 N ATOM 421 NH2 ARG A 26 -21.681 18.775 5.221 1.00 0.00 N ATOM 0 H ARG A 26 -15.550 18.291 4.031 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.574 16.921 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.557 17.861 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.405 16.541 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.615 14.908 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.919 16.273 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.589 15.515 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -20.056 15.255 6.304 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.511 18.000 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -21.549 15.677 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.812 16.858 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.142 19.501 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -22.583 19.001 4.801 1.00 0.00 H new ATOM 435 N GLN A 27 -15.171 15.025 3.807 1.00 0.00 N ATOM 436 CA GLN A 27 -14.684 13.737 3.342 1.00 0.00 C ATOM 437 C GLN A 27 -13.252 13.558 3.777 1.00 0.00 C ATOM 438 O GLN A 27 -12.809 12.450 4.032 1.00 0.00 O ATOM 439 CB GLN A 27 -14.765 13.635 1.814 1.00 0.00 C ATOM 440 CG GLN A 27 -16.059 12.922 1.411 1.00 0.00 C ATOM 441 CD GLN A 27 -17.248 13.859 1.582 1.00 0.00 C ATOM 442 OE1 GLN A 27 -17.047 15.082 1.984 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -18.389 13.467 1.341 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.460 15.662 3.064 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.310 12.956 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.734 14.631 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.903 13.089 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.993 12.591 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.198 12.030 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.543 12.509 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.181 14.100 1.456 1.00 0.00 H new ATOM 452 N GLN A 28 -12.539 14.673 3.854 1.00 0.00 N ATOM 453 CA GLN A 28 -11.155 14.655 4.247 1.00 0.00 C ATOM 454 C GLN A 28 -11.030 14.112 5.662 1.00 0.00 C ATOM 455 O GLN A 28 -10.127 13.326 5.954 1.00 0.00 O ATOM 456 CB GLN A 28 -10.596 16.071 4.124 1.00 0.00 C ATOM 457 CG GLN A 28 -9.328 16.228 4.972 1.00 0.00 C ATOM 458 CD GLN A 28 -9.689 16.495 6.432 1.00 0.00 C ATOM 459 OE1 GLN A 28 -8.941 15.999 7.376 1.00 0.00 O flip ATOM 460 NE2 GLN A 28 -10.674 17.176 6.721 1.00 0.00 N flip ATOM 0 H GLN A 28 -12.907 15.601 3.646 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.576 13.999 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.371 16.289 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.347 16.793 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.722 15.325 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.724 17.049 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.260 17.565 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.904 17.351 7.699 1.00 0.00 H new ATOM 469 N MET A 29 -11.961 14.504 6.532 1.00 0.00 N ATOM 470 CA MET A 29 -11.943 14.000 7.898 1.00 0.00 C ATOM 471 C MET A 29 -12.151 12.491 7.871 1.00 0.00 C ATOM 472 O MET A 29 -11.353 11.734 8.424 1.00 0.00 O ATOM 473 CB MET A 29 -13.046 14.654 8.734 1.00 0.00 C ATOM 474 CG MET A 29 -12.754 16.145 8.908 1.00 0.00 C ATOM 475 SD MET A 29 -13.875 16.842 10.149 1.00 0.00 S ATOM 476 CE MET A 29 -15.434 16.453 9.314 1.00 0.00 C ATOM 0 H MET A 29 -12.718 15.153 6.320 1.00 0.00 H new ATOM 0 HA MET A 29 -10.981 14.240 8.351 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.012 14.518 8.247 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.110 14.171 9.709 1.00 0.00 H new ATOM 0 HG2 MET A 29 -11.719 16.290 9.216 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.879 16.664 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 29 -16.087 17.325 9.338 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.233 16.178 8.278 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.921 15.621 9.822 1.00 0.00 H new ATOM 486 N GLU A 30 -13.218 12.059 7.195 1.00 0.00 N ATOM 487 CA GLU A 30 -13.502 10.624 7.076 1.00 0.00 C ATOM 488 C GLU A 30 -12.410 9.925 6.262 1.00 0.00 C ATOM 489 O GLU A 30 -12.099 8.754 6.484 1.00 0.00 O ATOM 490 CB GLU A 30 -14.861 10.398 6.405 1.00 0.00 C ATOM 491 CG GLU A 30 -15.986 10.851 7.343 1.00 0.00 C ATOM 492 CD GLU A 30 -16.329 12.316 7.088 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.755 12.621 5.986 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.161 13.112 7.998 1.00 0.00 O ATOM 0 H GLU A 30 -13.890 12.668 6.729 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.525 10.202 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.911 10.953 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.984 9.344 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.869 10.231 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.680 10.717 8.381 1.00 0.00 H new ATOM 501 N GLU A 31 -11.855 10.664 5.306 1.00 0.00 N ATOM 502 CA GLU A 31 -10.812 10.156 4.413 1.00 0.00 C ATOM 503 C GLU A 31 -9.538 9.777 5.172 1.00 0.00 C ATOM 504 O GLU A 31 -8.599 9.242 4.585 1.00 0.00 O ATOM 505 CB GLU A 31 -10.511 11.218 3.348 1.00 0.00 C ATOM 506 CG GLU A 31 -9.453 10.714 2.370 1.00 0.00 C ATOM 507 CD GLU A 31 -9.211 11.746 1.264 1.00 0.00 C ATOM 508 OE1 GLU A 31 -9.665 12.872 1.407 1.00 0.00 O ATOM 509 OE2 GLU A 31 -8.570 11.395 0.286 1.00 0.00 O ATOM 0 H GLU A 31 -12.114 11.634 5.126 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.176 9.244 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.424 11.468 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.164 12.133 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.522 10.517 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.775 9.770 1.931 1.00 0.00 H new ATOM 516 N SER A 32 -9.509 10.045 6.474 1.00 0.00 N ATOM 517 CA SER A 32 -8.342 9.720 7.289 1.00 0.00 C ATOM 518 C SER A 32 -7.877 8.290 7.022 1.00 0.00 C ATOM 519 O SER A 32 -6.717 7.952 7.258 1.00 0.00 O ATOM 520 CB SER A 32 -8.681 9.882 8.772 1.00 0.00 C ATOM 521 OG SER A 32 -9.710 8.964 9.122 1.00 0.00 O ATOM 0 H SER A 32 -10.275 10.484 6.985 1.00 0.00 H new ATOM 0 HA SER A 32 -7.536 10.404 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.795 9.703 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.005 10.903 8.973 1.00 0.00 H new ATOM 0 HG SER A 32 -9.929 9.064 10.072 1.00 0.00 H new ATOM 527 N THR A 33 -8.794 7.458 6.539 1.00 0.00 N ATOM 528 CA THR A 33 -8.481 6.068 6.229 1.00 0.00 C ATOM 529 C THR A 33 -7.730 5.915 4.892 1.00 0.00 C ATOM 530 O THR A 33 -6.627 5.370 4.846 1.00 0.00 O ATOM 531 CB THR A 33 -9.776 5.249 6.183 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.646 5.790 5.198 1.00 0.00 O ATOM 533 CG2 THR A 33 -10.462 5.292 7.550 1.00 0.00 C ATOM 0 H THR A 33 -9.761 7.723 6.354 1.00 0.00 H new ATOM 0 HA THR A 33 -7.823 5.700 7.017 1.00 0.00 H new ATOM 0 HB THR A 33 -9.540 4.215 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.473 5.265 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.382 4.709 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.796 4.873 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.697 6.325 7.807 1.00 0.00 H new ATOM 541 N TYR A 34 -8.379 6.347 3.801 1.00 0.00 N ATOM 542 CA TYR A 34 -7.829 6.206 2.440 1.00 0.00 C ATOM 543 C TYR A 34 -7.136 7.464 1.888 1.00 0.00 C ATOM 544 O TYR A 34 -6.806 7.495 0.702 1.00 0.00 O ATOM 545 CB TYR A 34 -8.939 5.758 1.478 1.00 0.00 C ATOM 546 CG TYR A 34 -9.894 6.898 1.191 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.969 7.147 2.052 1.00 0.00 C ATOM 548 CD2 TYR A 34 -9.712 7.696 0.052 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.859 8.192 1.779 1.00 0.00 C ATOM 550 CE2 TYR A 34 -10.603 8.741 -0.221 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.677 8.989 0.642 1.00 0.00 C ATOM 552 OH TYR A 34 -12.556 10.019 0.373 1.00 0.00 O ATOM 0 H TYR A 34 -9.292 6.800 3.833 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.046 5.452 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.498 5.404 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.485 4.920 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.112 6.532 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.884 7.504 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.687 8.384 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.462 9.356 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.070 10.767 -0.033 1.00 0.00 H new ATOM 562 N GLN A 35 -6.961 8.501 2.708 1.00 0.00 N ATOM 563 CA GLN A 35 -6.344 9.762 2.242 1.00 0.00 C ATOM 564 C GLN A 35 -5.295 9.554 1.158 1.00 0.00 C ATOM 565 O GLN A 35 -5.112 10.431 0.314 1.00 0.00 O ATOM 566 CB GLN A 35 -5.694 10.529 3.397 1.00 0.00 C ATOM 567 CG GLN A 35 -4.441 9.792 3.892 1.00 0.00 C ATOM 568 CD GLN A 35 -4.829 8.492 4.583 1.00 0.00 C ATOM 569 OE1 GLN A 35 -6.029 8.363 5.065 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.019 7.571 4.679 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.232 8.502 3.691 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.167 10.339 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.427 11.534 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.406 10.639 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.779 9.581 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.887 10.427 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.078 7.677 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.288 6.701 5.139 1.00 0.00 H new ATOM 579 N THR A 36 -4.614 8.412 1.156 1.00 0.00 N ATOM 580 CA THR A 36 -3.615 8.183 0.124 1.00 0.00 C ATOM 581 C THR A 36 -4.300 8.294 -1.233 1.00 0.00 C ATOM 582 O THR A 36 -5.081 7.426 -1.623 1.00 0.00 O ATOM 583 CB THR A 36 -2.992 6.792 0.287 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.022 5.829 0.458 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.072 6.781 1.510 1.00 0.00 C ATOM 0 H THR A 36 -4.730 7.657 1.832 1.00 0.00 H new ATOM 0 HA THR A 36 -2.818 8.922 0.205 1.00 0.00 H new ATOM 0 HB THR A 36 -2.411 6.549 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.789 6.067 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.630 5.791 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.281 7.518 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.649 7.026 2.402 1.00 0.00 H new ATOM 593 N MET A 37 -4.023 9.395 -1.927 1.00 0.00 N ATOM 594 CA MET A 37 -4.638 9.654 -3.226 1.00 0.00 C ATOM 595 C MET A 37 -4.338 8.537 -4.224 1.00 0.00 C ATOM 596 O MET A 37 -3.191 8.353 -4.636 1.00 0.00 O ATOM 597 CB MET A 37 -4.124 10.986 -3.784 1.00 0.00 C ATOM 598 CG MET A 37 -4.607 12.139 -2.897 1.00 0.00 C ATOM 599 SD MET A 37 -5.939 13.031 -3.742 1.00 0.00 S ATOM 600 CE MET A 37 -5.108 14.636 -3.858 1.00 0.00 C ATOM 0 H MET A 37 -3.378 10.120 -1.613 1.00 0.00 H new ATOM 0 HA MET A 37 -5.717 9.699 -3.081 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.035 10.978 -3.825 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.481 11.126 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.962 11.753 -1.941 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.781 12.816 -2.680 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.612 15.254 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.141 15.134 -2.889 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.070 14.488 -4.154 1.00 0.00 H new ATOM 610 N PRO A 38 -5.348 7.805 -4.633 1.00 0.00 N ATOM 611 CA PRO A 38 -5.212 6.703 -5.617 1.00 0.00 C ATOM 612 C PRO A 38 -5.456 7.189 -7.043 1.00 0.00 C ATOM 613 O PRO A 38 -6.344 8.010 -7.282 1.00 0.00 O ATOM 614 CB PRO A 38 -6.309 5.742 -5.178 1.00 0.00 C ATOM 615 CG PRO A 38 -7.405 6.623 -4.663 1.00 0.00 C ATOM 616 CD PRO A 38 -6.750 7.935 -4.197 1.00 0.00 C ATOM 0 HA PRO A 38 -4.215 6.262 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.653 5.128 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.953 5.061 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.142 6.816 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.931 6.141 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.230 8.803 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.823 8.056 -3.116 1.00 0.00 H new ATOM 624 N ARG A 39 -4.678 6.674 -7.987 1.00 0.00 N ATOM 625 CA ARG A 39 -4.836 7.064 -9.385 1.00 0.00 C ATOM 626 C ARG A 39 -6.207 6.644 -9.883 1.00 0.00 C ATOM 627 O ARG A 39 -6.840 7.348 -10.671 1.00 0.00 O ATOM 628 CB ARG A 39 -3.797 6.370 -10.256 1.00 0.00 C ATOM 629 CG ARG A 39 -2.394 6.609 -9.690 1.00 0.00 C ATOM 630 CD ARG A 39 -1.352 5.999 -10.631 1.00 0.00 C ATOM 631 NE ARG A 39 -0.033 6.014 -10.003 1.00 0.00 N ATOM 632 CZ ARG A 39 0.312 5.111 -9.087 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.536 4.185 -8.725 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.499 5.152 -8.548 1.00 0.00 N ATOM 0 H ARG A 39 -3.939 5.993 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.714 8.145 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.003 5.301 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.855 6.748 -11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.214 7.678 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.310 6.163 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.632 4.976 -10.881 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.324 6.559 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 39 0.639 6.733 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.465 4.152 -9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.269 3.495 -8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.162 5.875 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.765 4.461 -7.846 1.00 0.00 H new ATOM 648 N ARG A 40 -6.642 5.470 -9.432 1.00 0.00 N ATOM 649 CA ARG A 40 -7.924 4.935 -9.852 1.00 0.00 C ATOM 650 C ARG A 40 -9.062 5.797 -9.344 1.00 0.00 C ATOM 651 O ARG A 40 -9.473 5.707 -8.185 1.00 0.00 O ATOM 652 CB ARG A 40 -8.089 3.502 -9.345 1.00 0.00 C ATOM 653 CG ARG A 40 -7.043 2.608 -10.011 1.00 0.00 C ATOM 654 CD ARG A 40 -7.386 2.417 -11.493 1.00 0.00 C ATOM 655 NE ARG A 40 -6.446 1.487 -12.113 1.00 0.00 N ATOM 656 CZ ARG A 40 -5.211 1.865 -12.442 1.00 0.00 C ATOM 657 NH1 ARG A 40 -4.813 3.087 -12.211 1.00 0.00 N ATOM 658 NH2 ARG A 40 -4.398 1.011 -12.999 1.00 0.00 N ATOM 0 H ARG A 40 -6.126 4.878 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.952 4.935 -10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.974 3.472 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.092 3.138 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.054 3.055 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.007 1.641 -9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.403 2.038 -11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.352 3.377 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.741 0.528 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.448 3.757 -11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.867 3.372 -12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.708 0.057 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.452 1.297 -13.252 1.00 0.00 H new ATOM 672 N GLY A 41 -9.565 6.617 -10.247 1.00 0.00 N ATOM 673 CA GLY A 41 -10.681 7.512 -9.946 1.00 0.00 C ATOM 674 C GLY A 41 -10.437 8.314 -8.669 1.00 0.00 C ATOM 675 O GLY A 41 -10.870 7.916 -7.586 1.00 0.00 O ATOM 0 H GLY A 41 -9.219 6.686 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.834 8.196 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.596 6.929 -9.840 1.00 0.00 H new ATOM 679 N MET A 42 -9.745 9.445 -8.805 1.00 0.00 N ATOM 680 CA MET A 42 -9.453 10.305 -7.658 1.00 0.00 C ATOM 681 C MET A 42 -10.745 10.729 -6.956 1.00 0.00 C ATOM 682 O MET A 42 -11.843 10.363 -7.379 1.00 0.00 O ATOM 683 CB MET A 42 -8.686 11.547 -8.122 1.00 0.00 C ATOM 684 CG MET A 42 -7.321 11.129 -8.676 1.00 0.00 C ATOM 685 SD MET A 42 -6.367 12.605 -9.108 1.00 0.00 S ATOM 686 CE MET A 42 -4.951 11.754 -9.845 1.00 0.00 C ATOM 0 H MET A 42 -9.378 9.786 -9.693 1.00 0.00 H new ATOM 0 HA MET A 42 -8.842 9.743 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.255 12.073 -8.888 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.556 12.239 -7.290 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.782 10.538 -7.936 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.451 10.497 -9.555 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.223 12.489 -10.187 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.489 11.105 -9.101 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.287 11.155 -10.691 1.00 0.00 H new ATOM 696 N GLU A 43 -10.607 11.502 -5.878 1.00 0.00 N ATOM 697 CA GLU A 43 -11.772 11.960 -5.125 1.00 0.00 C ATOM 698 C GLU A 43 -12.581 12.967 -5.946 1.00 0.00 C ATOM 699 O GLU A 43 -12.054 13.996 -6.372 1.00 0.00 O ATOM 700 CB GLU A 43 -11.320 12.612 -3.814 1.00 0.00 C ATOM 701 CG GLU A 43 -12.498 12.668 -2.834 1.00 0.00 C ATOM 702 CD GLU A 43 -11.989 12.857 -1.406 1.00 0.00 C ATOM 703 OE1 GLU A 43 -11.170 12.060 -0.977 1.00 0.00 O ATOM 704 OE2 GLU A 43 -12.431 13.793 -0.759 1.00 0.00 O ATOM 0 H GLU A 43 -9.710 11.820 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.403 11.099 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.498 12.044 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.946 13.618 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.164 13.488 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.080 11.749 -2.901 1.00 0.00 H new ATOM 711 N PRO A 44 -13.845 12.689 -6.175 1.00 0.00 N ATOM 712 CA PRO A 44 -14.740 13.589 -6.965 1.00 0.00 C ATOM 713 C PRO A 44 -14.826 14.993 -6.371 1.00 0.00 C ATOM 714 O PRO A 44 -14.873 15.980 -7.104 1.00 0.00 O ATOM 715 CB PRO A 44 -16.110 12.899 -6.916 1.00 0.00 C ATOM 716 CG PRO A 44 -15.841 11.482 -6.531 1.00 0.00 C ATOM 717 CD PRO A 44 -14.556 11.486 -5.710 1.00 0.00 C ATOM 0 HA PRO A 44 -14.366 13.730 -7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.765 13.383 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.609 12.953 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.669 11.075 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.733 10.855 -7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.764 11.533 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.969 10.583 -5.881 1.00 0.00 H new ATOM 725 N HIS A 45 -14.842 15.075 -5.042 1.00 0.00 N ATOM 726 CA HIS A 45 -14.920 16.368 -4.368 1.00 0.00 C ATOM 727 C HIS A 45 -13.814 17.289 -4.871 1.00 0.00 C ATOM 728 O HIS A 45 -14.052 18.462 -5.166 1.00 0.00 O ATOM 729 CB HIS A 45 -14.787 16.183 -2.854 1.00 0.00 C ATOM 730 CG HIS A 45 -15.899 15.303 -2.354 1.00 0.00 C ATOM 731 ND1 HIS A 45 -17.209 15.749 -2.259 1.00 0.00 N ATOM 732 CD2 HIS A 45 -15.914 14.002 -1.918 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.950 14.732 -1.784 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.211 13.643 -1.560 1.00 0.00 N ATOM 0 H HIS A 45 -14.802 14.270 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.888 16.818 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.821 15.737 -2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.823 17.151 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.051 13.355 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -19.014 14.789 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.528 12.742 -1.203 1.00 0.00 H new ATOM 742 N MET A 46 -12.607 16.740 -4.973 1.00 0.00 N ATOM 743 CA MET A 46 -11.460 17.505 -5.451 1.00 0.00 C ATOM 744 C MET A 46 -11.663 17.905 -6.910 1.00 0.00 C ATOM 745 O MET A 46 -11.337 19.022 -7.313 1.00 0.00 O ATOM 746 CB MET A 46 -10.191 16.655 -5.337 1.00 0.00 C ATOM 747 CG MET A 46 -9.928 16.300 -3.872 1.00 0.00 C ATOM 748 SD MET A 46 -8.428 15.293 -3.762 1.00 0.00 S ATOM 749 CE MET A 46 -8.561 14.859 -2.011 1.00 0.00 C ATOM 0 H MET A 46 -12.398 15.771 -4.732 1.00 0.00 H new ATOM 0 HA MET A 46 -11.360 18.404 -4.842 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.299 15.745 -5.926 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.340 17.200 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.814 17.208 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.777 15.755 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.171 13.853 -1.855 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.985 15.568 -1.416 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.607 14.894 -1.706 1.00 0.00 H new ATOM 759 N SER A 47 -12.198 16.969 -7.695 1.00 0.00 N ATOM 760 CA SER A 47 -12.440 17.203 -9.116 1.00 0.00 C ATOM 761 C SER A 47 -13.357 18.404 -9.337 1.00 0.00 C ATOM 762 O SER A 47 -13.157 19.181 -10.272 1.00 0.00 O ATOM 763 CB SER A 47 -13.071 15.960 -9.745 1.00 0.00 C ATOM 764 OG SER A 47 -12.281 14.821 -9.425 1.00 0.00 O ATOM 0 H SER A 47 -12.471 16.042 -7.369 1.00 0.00 H new ATOM 0 HA SER A 47 -11.481 17.414 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.088 15.827 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.138 16.079 -10.826 1.00 0.00 H new ATOM 0 HG SER A 47 -12.683 14.021 -9.825 1.00 0.00 H new ATOM 770 N GLU A 48 -14.367 18.548 -8.481 1.00 0.00 N ATOM 771 CA GLU A 48 -15.305 19.658 -8.611 1.00 0.00 C ATOM 772 C GLU A 48 -14.595 20.993 -8.404 1.00 0.00 C ATOM 773 O GLU A 48 -14.848 21.957 -9.130 1.00 0.00 O ATOM 774 CB GLU A 48 -16.442 19.505 -7.597 1.00 0.00 C ATOM 775 CG GLU A 48 -17.266 18.257 -7.939 1.00 0.00 C ATOM 776 CD GLU A 48 -18.462 18.114 -6.994 1.00 0.00 C ATOM 777 OE1 GLU A 48 -18.537 18.859 -6.030 1.00 0.00 O ATOM 778 OE2 GLU A 48 -19.289 17.255 -7.251 1.00 0.00 O ATOM 0 H GLU A 48 -14.554 17.919 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.720 19.642 -9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.036 19.421 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.079 20.390 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.617 18.320 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.636 17.370 -7.870 1.00 0.00 H new ATOM 785 N CYS A 49 -13.696 21.040 -7.424 1.00 0.00 N ATOM 786 CA CYS A 49 -12.945 22.263 -7.150 1.00 0.00 C ATOM 787 C CYS A 49 -11.978 22.562 -8.298 1.00 0.00 C ATOM 788 O CYS A 49 -11.745 23.720 -8.636 1.00 0.00 O ATOM 789 CB CYS A 49 -12.164 22.122 -5.835 1.00 0.00 C ATOM 790 SG CYS A 49 -13.267 22.421 -4.429 1.00 0.00 S ATOM 0 H CYS A 49 -13.471 20.255 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.650 23.089 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.732 21.124 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.336 22.830 -5.816 1.00 0.00 H new ATOM 795 N CYS A 50 -11.418 21.499 -8.882 1.00 0.00 N ATOM 796 CA CYS A 50 -10.461 21.627 -9.988 1.00 0.00 C ATOM 797 C CYS A 50 -10.995 22.499 -11.121 1.00 0.00 C ATOM 798 O CYS A 50 -10.268 23.331 -11.666 1.00 0.00 O ATOM 799 CB CYS A 50 -10.137 20.242 -10.549 1.00 0.00 C ATOM 800 SG CYS A 50 -8.867 20.384 -11.831 1.00 0.00 S ATOM 0 H CYS A 50 -11.611 20.536 -8.607 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.567 22.104 -9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.789 19.588 -9.750 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.037 19.788 -10.964 1.00 0.00 H new ATOM 805 N GLU A 51 -12.253 22.286 -11.490 1.00 0.00 N ATOM 806 CA GLU A 51 -12.859 23.041 -12.582 1.00 0.00 C ATOM 807 C GLU A 51 -12.775 24.545 -12.334 1.00 0.00 C ATOM 808 O GLU A 51 -12.594 25.323 -13.271 1.00 0.00 O ATOM 809 CB GLU A 51 -14.325 22.626 -12.743 1.00 0.00 C ATOM 810 CG GLU A 51 -14.930 23.314 -13.976 1.00 0.00 C ATOM 811 CD GLU A 51 -14.273 22.801 -15.259 1.00 0.00 C ATOM 812 OE1 GLU A 51 -13.839 21.659 -15.272 1.00 0.00 O ATOM 813 OE2 GLU A 51 -14.222 23.557 -16.215 1.00 0.00 O ATOM 0 H GLU A 51 -12.870 21.602 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.307 22.818 -13.495 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.396 21.543 -12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.889 22.897 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.003 23.128 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.796 24.393 -13.899 1.00 0.00 H new ATOM 820 N GLN A 52 -12.923 24.947 -11.077 1.00 0.00 N ATOM 821 CA GLN A 52 -12.877 26.363 -10.728 1.00 0.00 C ATOM 822 C GLN A 52 -11.544 27.003 -11.125 1.00 0.00 C ATOM 823 O GLN A 52 -11.514 27.913 -11.953 1.00 0.00 O ATOM 824 CB GLN A 52 -13.114 26.534 -9.228 1.00 0.00 C ATOM 825 CG GLN A 52 -14.323 27.446 -9.017 1.00 0.00 C ATOM 826 CD GLN A 52 -15.617 26.667 -9.231 1.00 0.00 C ATOM 827 OE1 GLN A 52 -15.782 25.573 -8.689 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.551 27.167 -9.992 1.00 0.00 N ATOM 0 H GLN A 52 -13.075 24.319 -10.288 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.665 26.870 -11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.287 25.564 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.231 26.963 -8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.303 27.861 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.278 28.287 -9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.413 28.073 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.419 26.652 -10.139 1.00 0.00 H new ATOM 837 N LEU A 53 -10.447 26.526 -10.535 1.00 0.00 N ATOM 838 CA LEU A 53 -9.119 27.070 -10.848 1.00 0.00 C ATOM 839 C LEU A 53 -8.888 26.982 -12.337 1.00 0.00 C ATOM 840 O LEU A 53 -8.537 27.956 -13.004 1.00 0.00 O ATOM 841 CB LEU A 53 -8.015 26.247 -10.173 1.00 0.00 C ATOM 842 CG LEU A 53 -8.406 25.836 -8.748 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.355 26.864 -8.115 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.083 24.463 -8.812 1.00 0.00 C ATOM 0 H LEU A 53 -10.447 25.774 -9.846 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.086 28.100 -10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.811 25.355 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.093 26.828 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.511 25.790 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.615 26.546 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.863 27.836 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.261 26.941 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.369 24.151 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.972 24.524 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.390 23.735 -9.234 1.00 0.00 H new ATOM 856 N GLU A 54 -9.096 25.779 -12.829 1.00 0.00 N ATOM 857 CA GLU A 54 -8.937 25.468 -14.226 1.00 0.00 C ATOM 858 C GLU A 54 -9.759 26.421 -15.094 1.00 0.00 C ATOM 859 O GLU A 54 -9.386 26.717 -16.230 1.00 0.00 O ATOM 860 CB GLU A 54 -9.351 24.011 -14.417 1.00 0.00 C ATOM 861 CG GLU A 54 -9.290 23.627 -15.900 1.00 0.00 C ATOM 862 CD GLU A 54 -7.842 23.640 -16.399 1.00 0.00 C ATOM 863 OE1 GLU A 54 -6.949 23.400 -15.600 1.00 0.00 O ATOM 864 OE2 GLU A 54 -7.648 23.895 -17.576 1.00 0.00 O ATOM 0 H GLU A 54 -9.384 24.983 -12.260 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.901 25.598 -14.539 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.694 23.361 -13.839 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.362 23.861 -14.037 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.721 22.636 -16.043 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.889 24.323 -16.487 1.00 0.00 H new ATOM 871 N GLY A 55 -10.870 26.911 -14.542 1.00 0.00 N ATOM 872 CA GLY A 55 -11.733 27.847 -15.261 1.00 0.00 C ATOM 873 C GLY A 55 -11.410 29.295 -14.887 1.00 0.00 C ATOM 874 O GLY A 55 -11.891 30.232 -15.525 1.00 0.00 O ATOM 0 H GLY A 55 -11.192 26.676 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.608 27.709 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.777 27.633 -15.031 1.00 0.00 H new ATOM 878 N MET A 56 -10.591 29.467 -13.847 1.00 0.00 N ATOM 879 CA MET A 56 -10.204 30.802 -13.386 1.00 0.00 C ATOM 880 C MET A 56 -8.996 31.316 -14.166 1.00 0.00 C ATOM 881 O MET A 56 -8.161 30.532 -14.621 1.00 0.00 O ATOM 882 CB MET A 56 -9.874 30.760 -11.886 1.00 0.00 C ATOM 883 CG MET A 56 -9.199 32.070 -11.460 1.00 0.00 C ATOM 884 SD MET A 56 -8.869 32.035 -9.678 1.00 0.00 S ATOM 885 CE MET A 56 -10.355 32.920 -9.139 1.00 0.00 C ATOM 0 H MET A 56 -10.184 28.701 -13.310 1.00 0.00 H new ATOM 0 HA MET A 56 -11.040 31.481 -13.556 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.786 30.607 -11.309 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.217 29.917 -11.673 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.268 32.206 -12.010 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.840 32.917 -11.704 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.071 33.885 -8.718 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.015 33.076 -9.992 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.874 32.332 -8.382 1.00 0.00 H new ATOM 895 N ASP A 57 -8.910 32.642 -14.313 1.00 0.00 N ATOM 896 CA ASP A 57 -7.797 33.255 -15.034 1.00 0.00 C ATOM 897 C ASP A 57 -6.466 32.736 -14.497 1.00 0.00 C ATOM 898 O ASP A 57 -6.332 32.457 -13.304 1.00 0.00 O ATOM 899 CB ASP A 57 -7.855 34.780 -14.888 1.00 0.00 C ATOM 900 CG ASP A 57 -9.125 35.337 -15.538 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.740 34.626 -16.317 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.463 36.471 -15.243 1.00 0.00 O ATOM 0 H ASP A 57 -9.593 33.304 -13.945 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.878 32.991 -16.089 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.832 35.051 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.976 35.229 -15.351 1.00 0.00 H new ATOM 907 N GLU A 58 -5.492 32.590 -15.389 1.00 0.00 N ATOM 908 CA GLU A 58 -4.179 32.081 -15.002 1.00 0.00 C ATOM 909 C GLU A 58 -3.562 32.885 -13.859 1.00 0.00 C ATOM 910 O GLU A 58 -3.247 32.334 -12.804 1.00 0.00 O ATOM 911 CB GLU A 58 -3.239 32.147 -16.202 1.00 0.00 C ATOM 912 CG GLU A 58 -1.834 31.735 -15.759 1.00 0.00 C ATOM 913 CD GLU A 58 -1.739 30.216 -15.610 1.00 0.00 C ATOM 914 OE1 GLU A 58 -2.426 29.518 -16.341 1.00 0.00 O ATOM 915 OE2 GLU A 58 -0.984 29.772 -14.762 1.00 0.00 O ATOM 0 H GLU A 58 -5.585 32.815 -16.380 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.314 31.054 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.593 31.487 -16.994 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.223 33.157 -16.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.101 32.081 -16.488 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.591 32.215 -14.811 1.00 0.00 H new ATOM 922 N SER A 59 -3.379 34.182 -14.084 1.00 0.00 N ATOM 923 CA SER A 59 -2.784 35.049 -13.071 1.00 0.00 C ATOM 924 C SER A 59 -3.582 34.983 -11.779 1.00 0.00 C ATOM 925 O SER A 59 -3.035 35.112 -10.684 1.00 0.00 O ATOM 926 CB SER A 59 -2.744 36.492 -13.577 1.00 0.00 C ATOM 927 OG SER A 59 -2.042 36.537 -14.812 1.00 0.00 O ATOM 0 H SER A 59 -3.632 34.654 -14.952 1.00 0.00 H new ATOM 0 HA SER A 59 -1.768 34.706 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.757 36.872 -13.707 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.255 37.133 -12.844 1.00 0.00 H new ATOM 0 HG SER A 59 -2.016 37.460 -15.140 1.00 0.00 H new ATOM 933 N CYS A 60 -4.882 34.781 -11.927 1.00 0.00 N ATOM 934 CA CYS A 60 -5.781 34.696 -10.779 1.00 0.00 C ATOM 935 C CYS A 60 -5.606 33.377 -10.040 1.00 0.00 C ATOM 936 O CYS A 60 -5.920 33.275 -8.853 1.00 0.00 O ATOM 937 CB CYS A 60 -7.234 34.853 -11.231 1.00 0.00 C ATOM 938 SG CYS A 60 -7.473 36.521 -11.893 1.00 0.00 S ATOM 0 H CYS A 60 -5.342 34.672 -12.831 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.529 35.506 -10.095 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.474 34.109 -11.991 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.909 34.681 -10.393 1.00 0.00 H new ATOM 943 N ARG A 61 -5.121 32.365 -10.752 1.00 0.00 N ATOM 944 CA ARG A 61 -4.928 31.048 -10.161 1.00 0.00 C ATOM 945 C ARG A 61 -3.940 31.113 -8.998 1.00 0.00 C ATOM 946 O ARG A 61 -4.141 30.462 -7.971 1.00 0.00 O ATOM 947 CB ARG A 61 -4.402 30.081 -11.226 1.00 0.00 C ATOM 948 CG ARG A 61 -4.432 28.646 -10.692 1.00 0.00 C ATOM 949 CD ARG A 61 -3.769 27.715 -11.710 1.00 0.00 C ATOM 950 NE ARG A 61 -4.391 27.876 -13.022 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.473 27.185 -13.373 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.999 26.318 -12.549 1.00 0.00 N ATOM 953 NH2 ARG A 61 -6.008 27.376 -14.547 1.00 0.00 N ATOM 0 H ARG A 61 -4.856 32.432 -11.735 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.887 30.695 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.010 30.155 -12.128 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.384 30.353 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.910 28.590 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.461 28.334 -10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.704 27.936 -11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.861 26.680 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.985 28.535 -13.686 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.580 26.168 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.828 25.791 -12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.597 28.052 -15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.837 26.849 -14.821 1.00 0.00 H new ATOM 967 N CYS A 62 -2.876 31.901 -9.159 1.00 0.00 N ATOM 968 CA CYS A 62 -1.876 32.033 -8.102 1.00 0.00 C ATOM 969 C CYS A 62 -2.533 32.528 -6.811 1.00 0.00 C ATOM 970 O CYS A 62 -2.492 31.856 -5.781 1.00 0.00 O ATOM 971 CB CYS A 62 -0.789 33.030 -8.529 1.00 0.00 C ATOM 972 SG CYS A 62 -0.144 32.586 -10.162 1.00 0.00 S ATOM 0 H CYS A 62 -2.687 32.449 -9.998 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.427 31.056 -7.927 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.200 34.039 -8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.020 33.033 -7.798 1.00 0.00 H new ATOM 977 N GLU A 63 -3.142 33.710 -6.892 1.00 0.00 N ATOM 978 CA GLU A 63 -3.823 34.312 -5.747 1.00 0.00 C ATOM 979 C GLU A 63 -4.965 33.432 -5.242 1.00 0.00 C ATOM 980 O GLU A 63 -5.218 33.357 -4.039 1.00 0.00 O ATOM 981 CB GLU A 63 -4.380 35.682 -6.145 1.00 0.00 C ATOM 982 CG GLU A 63 -4.976 36.384 -4.918 1.00 0.00 C ATOM 983 CD GLU A 63 -5.617 37.716 -5.315 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.629 38.027 -6.497 1.00 0.00 O ATOM 985 OE2 GLU A 63 -6.089 38.408 -4.428 1.00 0.00 O ATOM 0 H GLU A 63 -3.178 34.272 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.095 34.417 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.588 36.295 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.144 35.564 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.722 35.741 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.196 36.557 -4.177 1.00 0.00 H new ATOM 992 N GLY A 64 -5.669 32.801 -6.177 1.00 0.00 N ATOM 993 CA GLY A 64 -6.813 31.959 -5.839 1.00 0.00 C ATOM 994 C GLY A 64 -6.488 30.940 -4.751 1.00 0.00 C ATOM 995 O GLY A 64 -7.099 30.951 -3.683 1.00 0.00 O ATOM 0 H GLY A 64 -5.468 32.857 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.638 32.589 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.151 31.435 -6.733 1.00 0.00 H new ATOM 999 N LEU A 65 -5.543 30.051 -5.032 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.173 29.018 -4.068 1.00 0.00 C ATOM 1001 C LEU A 65 -4.748 29.616 -2.731 1.00 0.00 C ATOM 1002 O LEU A 65 -5.203 29.170 -1.678 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.045 28.153 -4.636 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.534 27.449 -5.906 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.430 26.533 -6.441 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.782 26.616 -5.583 1.00 0.00 C ATOM 0 H LEU A 65 -5.023 30.022 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.054 28.401 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.176 28.771 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.729 27.416 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.783 28.195 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.778 26.032 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.546 27.126 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.179 25.787 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.129 26.116 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.536 25.870 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.568 27.270 -5.205 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.880 30.624 -2.769 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.421 31.257 -1.534 1.00 0.00 C ATOM 1020 C ARG A 66 -4.607 31.798 -0.740 1.00 0.00 C ATOM 1021 O ARG A 66 -4.749 31.522 0.452 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.457 32.402 -1.855 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.202 31.848 -2.535 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.169 32.965 -2.689 1.00 0.00 C ATOM 1025 NE ARG A 66 0.887 32.557 -3.613 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.861 32.907 -4.897 1.00 0.00 C ATOM 1027 NH1 ARG A 66 -0.128 33.618 -5.366 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.825 32.532 -5.694 1.00 0.00 N ATOM 0 H ARG A 66 -3.486 31.015 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.904 30.507 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.944 33.128 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.184 32.927 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.786 31.032 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.456 31.437 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.654 33.869 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.262 33.207 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 66 1.662 31.991 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.886 33.908 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.143 33.884 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.597 31.972 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.806 32.800 -6.678 1.00 0.00 H new ATOM 1042 N MET A 67 -5.457 32.563 -1.420 1.00 0.00 N ATOM 1043 CA MET A 67 -6.640 33.142 -0.792 1.00 0.00 C ATOM 1044 C MET A 67 -7.579 32.057 -0.269 1.00 0.00 C ATOM 1045 O MET A 67 -8.008 32.093 0.885 1.00 0.00 O ATOM 1046 CB MET A 67 -7.381 34.014 -1.813 1.00 0.00 C ATOM 1047 CG MET A 67 -8.788 34.336 -1.303 1.00 0.00 C ATOM 1048 SD MET A 67 -9.626 35.431 -2.480 1.00 0.00 S ATOM 1049 CE MET A 67 -8.586 36.892 -2.229 1.00 0.00 C ATOM 0 H MET A 67 -5.348 32.796 -2.407 1.00 0.00 H new ATOM 0 HA MET A 67 -6.317 33.747 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.827 34.937 -1.985 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.442 33.496 -2.770 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.359 33.416 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.731 34.813 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.109 37.777 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.369 37.006 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.653 36.773 -2.779 1.00 0.00 H new ATOM 1059 N MET A 68 -7.904 31.112 -1.141 1.00 0.00 N ATOM 1060 CA MET A 68 -8.811 30.027 -0.796 1.00 0.00 C ATOM 1061 C MET A 68 -8.270 29.170 0.347 1.00 0.00 C ATOM 1062 O MET A 68 -9.031 28.741 1.211 1.00 0.00 O ATOM 1063 CB MET A 68 -9.047 29.163 -2.035 1.00 0.00 C ATOM 1064 CG MET A 68 -9.859 27.920 -1.668 1.00 0.00 C ATOM 1065 SD MET A 68 -10.993 27.526 -3.019 1.00 0.00 S ATOM 1066 CE MET A 68 -11.994 29.031 -2.922 1.00 0.00 C ATOM 0 H MET A 68 -7.551 31.076 -2.097 1.00 0.00 H new ATOM 0 HA MET A 68 -9.750 30.462 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.575 29.740 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.091 28.867 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.192 27.078 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.418 28.095 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.997 28.826 -3.296 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.054 29.362 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.534 29.813 -3.526 1.00 0.00 H new ATOM 1076 N MET A 69 -6.963 28.918 0.348 1.00 0.00 N ATOM 1077 CA MET A 69 -6.363 28.099 1.398 1.00 0.00 C ATOM 1078 C MET A 69 -6.828 28.564 2.777 1.00 0.00 C ATOM 1079 O MET A 69 -7.483 27.817 3.505 1.00 0.00 O ATOM 1080 CB MET A 69 -4.835 28.181 1.314 1.00 0.00 C ATOM 1081 CG MET A 69 -4.209 27.217 2.326 1.00 0.00 C ATOM 1082 SD MET A 69 -2.409 27.417 2.319 1.00 0.00 S ATOM 1083 CE MET A 69 -2.348 29.007 3.184 1.00 0.00 C ATOM 0 H MET A 69 -6.308 29.263 -0.354 1.00 0.00 H new ATOM 0 HA MET A 69 -6.680 27.066 1.253 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.503 27.931 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.504 29.200 1.515 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.603 27.413 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.472 26.189 2.076 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.686 28.927 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.972 29.775 2.508 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.349 29.278 3.519 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.495 29.804 3.120 1.00 0.00 N ATOM 1094 CA ARG A 70 -6.891 30.371 4.405 1.00 0.00 C ATOM 1095 C ARG A 70 -8.413 30.408 4.544 1.00 0.00 C ATOM 1096 O ARG A 70 -8.956 30.169 5.623 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.328 31.790 4.542 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.607 32.323 5.952 1.00 0.00 C ATOM 1099 CD ARG A 70 -5.985 33.714 6.107 1.00 0.00 C ATOM 1100 NE ARG A 70 -6.707 34.684 5.289 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.325 35.958 5.227 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.287 36.367 5.906 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -6.989 36.801 4.486 1.00 0.00 N ATOM 0 H ARG A 70 -5.954 30.434 2.528 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.488 29.737 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.255 31.786 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.782 32.445 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.682 32.372 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.194 31.643 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.013 34.018 7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.936 33.686 5.811 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.520 34.380 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.766 35.710 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.997 37.344 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.800 36.484 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.697 37.777 4.438 1.00 0.00 H new ATOM 1117 N MET A 71 -9.092 30.725 3.441 1.00 0.00 N ATOM 1118 CA MET A 71 -10.546 30.814 3.432 1.00 0.00 C ATOM 1119 C MET A 71 -11.181 29.476 3.782 1.00 0.00 C ATOM 1120 O MET A 71 -12.198 29.427 4.475 1.00 0.00 O ATOM 1121 CB MET A 71 -11.030 31.266 2.051 1.00 0.00 C ATOM 1122 CG MET A 71 -12.503 31.678 2.126 1.00 0.00 C ATOM 1123 SD MET A 71 -13.532 30.380 1.397 1.00 0.00 S ATOM 1124 CE MET A 71 -15.069 30.802 2.251 1.00 0.00 C ATOM 0 H MET A 71 -8.654 30.924 2.542 1.00 0.00 H new ATOM 0 HA MET A 71 -10.845 31.543 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.426 32.103 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.905 30.458 1.330 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.792 31.846 3.163 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.656 32.618 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.880 30.184 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.952 30.623 3.320 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.302 31.853 2.082 1.00 0.00 H new ATOM 1134 N MET A 72 -10.589 28.394 3.286 1.00 0.00 N ATOM 1135 CA MET A 72 -11.128 27.069 3.548 1.00 0.00 C ATOM 1136 C MET A 72 -11.208 26.794 5.045 1.00 0.00 C ATOM 1137 O MET A 72 -12.255 26.400 5.557 1.00 0.00 O ATOM 1138 CB MET A 72 -10.258 25.998 2.881 1.00 0.00 C ATOM 1139 CG MET A 72 -10.527 25.974 1.374 1.00 0.00 C ATOM 1140 SD MET A 72 -12.282 25.643 1.077 1.00 0.00 S ATOM 1141 CE MET A 72 -12.357 24.039 1.912 1.00 0.00 C ATOM 0 H MET A 72 -9.748 28.409 2.709 1.00 0.00 H new ATOM 0 HA MET A 72 -12.135 27.033 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.204 26.204 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.473 25.021 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.246 26.928 0.929 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.916 25.208 0.897 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.257 23.509 1.602 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.479 23.449 1.647 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.379 24.191 2.991 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.096 27.007 5.738 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.048 26.783 7.177 1.00 0.00 C ATOM 1153 C GLN A 73 -11.058 27.678 7.889 1.00 0.00 C ATOM 1154 O GLN A 73 -11.752 27.246 8.808 1.00 0.00 O ATOM 1155 CB GLN A 73 -8.638 27.074 7.704 1.00 0.00 C ATOM 1156 CG GLN A 73 -7.612 26.249 6.921 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.084 24.807 6.792 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.391 24.341 5.614 1.00 0.00 O flip ATOM 1159 NE2 GLN A 73 -8.188 24.092 7.789 1.00 0.00 N flip ATOM 0 H GLN A 73 -9.220 27.333 5.329 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.300 25.741 7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.415 28.136 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.579 26.832 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.466 26.681 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.647 26.280 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.947 24.461 8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.516 23.131 7.695 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.120 28.931 7.453 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.031 29.907 8.040 1.00 0.00 C ATOM 1170 C GLN A 74 -13.497 29.512 7.855 1.00 0.00 C ATOM 1171 O GLN A 74 -14.320 29.731 8.746 1.00 0.00 O ATOM 1172 CB GLN A 74 -11.777 31.282 7.417 1.00 0.00 C ATOM 1173 CG GLN A 74 -12.985 32.189 7.671 1.00 0.00 C ATOM 1174 CD GLN A 74 -13.826 32.295 6.406 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -13.750 31.352 5.509 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -14.574 33.257 6.231 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.548 29.296 6.692 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.838 29.941 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.879 31.727 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.603 31.181 6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.587 31.788 8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.649 33.179 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.631 33.993 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.137 33.318 5.382 1.00 0.00 H new ATOM 1185 N LYS A 75 -13.828 28.957 6.695 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.209 28.576 6.412 1.00 0.00 C ATOM 1187 C LYS A 75 -15.754 27.652 7.496 1.00 0.00 C ATOM 1188 O LYS A 75 -16.875 27.834 7.973 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.281 27.874 5.053 1.00 0.00 C ATOM 1190 CG LYS A 75 -16.738 27.541 4.707 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.482 28.818 4.306 1.00 0.00 C ATOM 1192 CE LYS A 75 -18.912 28.469 3.885 1.00 0.00 C ATOM 1193 NZ LYS A 75 -19.640 27.870 5.039 1.00 0.00 N ATOM 0 H LYS A 75 -13.168 28.762 5.942 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.818 29.480 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.853 28.514 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.687 26.961 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.772 26.819 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.228 27.078 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.499 29.518 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.961 29.312 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.429 29.364 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.895 27.769 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.575 28.317 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.758 26.849 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.096 28.026 5.911 1.00 0.00 H new ATOM 1207 N GLU A 76 -14.952 26.671 7.884 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.360 25.727 8.920 1.00 0.00 C ATOM 1209 C GLU A 76 -14.167 24.898 9.385 1.00 0.00 C ATOM 1210 O GLU A 76 -14.069 23.712 9.068 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.464 24.803 8.389 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.071 23.998 9.546 1.00 0.00 C ATOM 1213 CD GLU A 76 -17.854 24.915 10.488 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.347 25.934 10.030 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -17.948 24.583 11.659 1.00 0.00 O ATOM 0 H GLU A 76 -14.021 26.507 7.502 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.747 26.291 9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.239 25.392 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.055 24.126 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.730 23.225 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.280 23.491 10.098 1.00 0.00 H new ATOM 1222 N MET A 77 -13.253 25.523 10.122 1.00 0.00 N ATOM 1223 CA MET A 77 -12.069 24.818 10.604 1.00 0.00 C ATOM 1224 C MET A 77 -12.452 23.554 11.368 1.00 0.00 C ATOM 1225 O MET A 77 -12.696 23.588 12.575 1.00 0.00 O ATOM 1226 CB MET A 77 -11.225 25.729 11.495 1.00 0.00 C ATOM 1227 CG MET A 77 -9.744 25.453 11.228 1.00 0.00 C ATOM 1228 SD MET A 77 -9.364 23.723 11.601 1.00 0.00 S ATOM 1229 CE MET A 77 -9.503 23.834 13.403 1.00 0.00 C ATOM 0 H MET A 77 -13.307 26.504 10.396 1.00 0.00 H new ATOM 0 HA MET A 77 -11.480 24.529 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.456 26.774 11.291 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.458 25.550 12.545 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.506 25.670 10.187 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.126 26.110 11.840 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.673 23.300 13.866 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.475 24.881 13.706 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.445 23.389 13.723 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.486 22.439 10.648 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.818 21.149 11.248 1.00 0.00 C ATOM 1241 C GLN A 78 -11.842 20.834 12.378 1.00 0.00 C ATOM 1242 O GLN A 78 -10.706 21.307 12.365 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.763 20.050 10.183 1.00 0.00 C ATOM 1244 CG GLN A 78 -14.106 19.990 9.446 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.923 19.411 8.045 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.816 19.031 7.662 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.956 19.322 7.251 1.00 0.00 N ATOM 0 H GLN A 78 -12.288 22.400 9.648 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.827 21.195 11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.957 20.251 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.547 19.088 10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.810 19.377 10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.536 20.990 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.872 19.637 7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.846 18.937 6.313 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.243 20.050 13.350 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.366 19.689 14.483 1.00 0.00 C ATOM 1258 C PRO A 79 -10.628 18.385 14.220 1.00 0.00 C ATOM 1259 O PRO A 79 -11.221 17.308 14.234 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.366 19.530 15.618 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.585 18.967 14.962 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.557 19.417 13.491 1.00 0.00 C ATOM 0 HA PRO A 79 -10.584 20.422 14.681 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.987 18.862 16.391 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.578 20.486 16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.592 17.879 15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.488 19.324 15.457 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.670 18.573 12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.364 20.115 13.270 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.331 18.514 14.015 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.444 17.381 13.762 1.00 0.00 C ATOM 1272 C ARG A 80 -7.005 17.883 13.754 1.00 0.00 C ATOM 1273 O ARG A 80 -6.700 18.875 13.090 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.731 16.717 12.403 1.00 0.00 C ATOM 1275 CG ARG A 80 -10.008 15.873 12.465 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.002 14.851 11.326 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.261 14.110 11.312 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.293 12.789 11.123 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -10.188 12.120 10.925 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -12.437 12.162 11.131 1.00 0.00 N ATOM 0 H ARG A 80 -8.853 19.415 14.018 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.609 16.642 14.546 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.834 17.483 11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.888 16.088 12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.072 15.362 13.426 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.885 16.515 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.859 15.358 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.166 14.162 11.449 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.137 14.614 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.292 12.607 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.222 11.111 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.302 12.681 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.466 11.153 10.987 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.125 17.220 14.495 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.734 17.656 14.547 1.00 0.00 C ATOM 1296 C GLY A 81 -3.882 16.993 13.467 1.00 0.00 C ATOM 1297 O GLY A 81 -3.489 17.636 12.495 1.00 0.00 O ATOM 0 H GLY A 81 -6.342 16.397 15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.690 18.739 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.319 17.425 15.528 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.583 15.712 13.658 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.752 14.965 12.714 1.00 0.00 C ATOM 1303 C GLU A 82 -3.385 14.841 11.326 1.00 0.00 C ATOM 1304 O GLU A 82 -2.708 15.027 10.314 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.476 13.563 13.265 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.612 13.662 14.532 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.461 14.062 15.742 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.651 13.791 15.732 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.903 14.635 16.663 1.00 0.00 O ATOM 0 H GLU A 82 -3.903 15.167 14.458 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.825 15.527 12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.416 13.061 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.967 12.960 12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.128 12.704 14.723 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.820 14.395 14.380 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.666 14.481 11.281 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.350 14.282 10.003 1.00 0.00 C ATOM 1318 C GLN A 83 -5.379 15.544 9.140 1.00 0.00 C ATOM 1319 O GLN A 83 -4.810 15.563 8.049 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.779 13.794 10.248 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.463 13.516 8.906 1.00 0.00 C ATOM 1322 CD GLN A 83 -6.701 12.442 8.138 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -6.216 11.477 8.730 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -6.561 12.554 6.844 1.00 0.00 N ATOM 0 H GLN A 83 -5.247 14.322 12.104 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.782 13.531 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.766 12.889 10.856 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.340 14.544 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.491 13.193 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.508 14.432 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.963 13.354 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.050 11.842 6.323 1.00 0.00 H new ATOM 1333 N MET A 84 -6.051 16.587 9.618 1.00 0.00 N ATOM 1334 CA MET A 84 -6.147 17.829 8.854 1.00 0.00 C ATOM 1335 C MET A 84 -4.771 18.416 8.558 1.00 0.00 C ATOM 1336 O MET A 84 -4.586 19.064 7.530 1.00 0.00 O ATOM 1337 CB MET A 84 -7.023 18.847 9.579 1.00 0.00 C ATOM 1338 CG MET A 84 -8.501 18.503 9.340 1.00 0.00 C ATOM 1339 SD MET A 84 -9.548 19.683 10.229 1.00 0.00 S ATOM 1340 CE MET A 84 -9.228 21.125 9.182 1.00 0.00 C ATOM 0 H MET A 84 -6.531 16.600 10.518 1.00 0.00 H new ATOM 0 HA MET A 84 -6.615 17.589 7.899 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.803 18.839 10.647 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.808 19.853 9.217 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.725 18.534 8.274 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.709 17.488 9.680 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.675 21.872 9.751 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.642 20.822 8.315 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.175 21.550 8.849 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.802 18.188 9.440 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.460 18.710 9.197 1.00 0.00 C ATOM 1352 C ARG A 85 -2.007 18.275 7.807 1.00 0.00 C ATOM 1353 O ARG A 85 -1.460 19.068 7.039 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.479 18.185 10.250 1.00 0.00 C ATOM 1355 CG ARG A 85 -0.102 18.821 10.034 1.00 0.00 C ATOM 1356 CD ARG A 85 0.882 18.281 11.073 1.00 0.00 C ATOM 1357 NE ARG A 85 1.169 16.873 10.812 1.00 0.00 N ATOM 1358 CZ ARG A 85 2.002 16.180 11.586 1.00 0.00 C ATOM 1359 NH1 ARG A 85 2.585 16.755 12.603 1.00 0.00 N ATOM 1360 NH2 ARG A 85 2.236 14.923 11.327 1.00 0.00 N ATOM 0 H ARG A 85 -3.914 17.661 10.306 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.480 19.798 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.845 18.417 11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.404 17.100 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.258 18.601 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.174 19.905 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.806 18.859 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.465 18.395 12.074 1.00 0.00 H new ATOM 0 HE ARG A 85 0.722 16.411 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.403 17.738 12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.223 16.221 13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.781 14.473 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.874 14.391 11.919 1.00 0.00 H new ATOM 1374 N ARG A 86 -2.274 17.009 7.488 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.932 16.458 6.182 1.00 0.00 C ATOM 1376 C ARG A 86 -2.662 17.221 5.080 1.00 0.00 C ATOM 1377 O ARG A 86 -2.134 17.406 3.984 1.00 0.00 O ATOM 1378 CB ARG A 86 -2.316 14.976 6.122 1.00 0.00 C ATOM 1379 CG ARG A 86 -1.503 14.191 7.157 1.00 0.00 C ATOM 1380 CD ARG A 86 -1.905 12.715 7.116 1.00 0.00 C ATOM 1381 NE ARG A 86 -1.451 12.099 5.874 1.00 0.00 N ATOM 1382 CZ ARG A 86 -1.629 10.801 5.640 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -2.221 10.048 6.528 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -1.212 10.278 4.519 1.00 0.00 N ATOM 0 H ARG A 86 -2.727 16.347 8.118 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.857 16.558 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.382 14.858 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.129 14.582 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.438 14.294 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.675 14.597 8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.474 12.190 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.988 12.624 7.200 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.988 12.675 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.549 10.454 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.356 9.054 6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.750 10.864 3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.348 9.283 4.339 1.00 0.00 H new ATOM 1398 N MET A 87 -3.889 17.656 5.385 1.00 0.00 N ATOM 1399 CA MET A 87 -4.702 18.394 4.419 1.00 0.00 C ATOM 1400 C MET A 87 -3.914 19.553 3.827 1.00 0.00 C ATOM 1401 O MET A 87 -3.975 19.800 2.628 1.00 0.00 O ATOM 1402 CB MET A 87 -5.961 18.946 5.092 1.00 0.00 C ATOM 1403 CG MET A 87 -6.889 19.552 4.033 1.00 0.00 C ATOM 1404 SD MET A 87 -8.081 20.656 4.833 1.00 0.00 S ATOM 1405 CE MET A 87 -9.040 19.390 5.697 1.00 0.00 C ATOM 0 H MET A 87 -4.337 17.510 6.289 1.00 0.00 H new ATOM 0 HA MET A 87 -4.983 17.703 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.477 18.150 5.629 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.690 19.703 5.828 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.305 20.103 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.413 18.760 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.564 19.842 6.539 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.765 18.951 5.011 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.370 18.612 6.063 1.00 0.00 H new ATOM 1415 N MET A 88 -3.181 20.265 4.675 1.00 0.00 N ATOM 1416 CA MET A 88 -2.393 21.402 4.213 1.00 0.00 C ATOM 1417 C MET A 88 -1.463 20.988 3.074 1.00 0.00 C ATOM 1418 O MET A 88 -1.549 21.516 1.965 1.00 0.00 O ATOM 1419 CB MET A 88 -1.562 21.959 5.373 1.00 0.00 C ATOM 1420 CG MET A 88 -0.895 23.273 4.952 1.00 0.00 C ATOM 1421 SD MET A 88 0.873 23.212 5.348 1.00 0.00 S ATOM 1422 CE MET A 88 0.713 22.764 7.095 1.00 0.00 C ATOM 0 H MET A 88 -3.116 20.078 5.676 1.00 0.00 H new ATOM 0 HA MET A 88 -3.075 22.169 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.199 22.126 6.241 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.803 21.234 5.669 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.033 23.436 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.364 24.112 5.466 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.537 23.201 7.660 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.233 23.142 7.482 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.739 21.679 7.196 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.571 20.043 3.360 1.00 0.00 N ATOM 1433 CA ARG A 89 0.378 19.564 2.359 1.00 0.00 C ATOM 1434 C ARG A 89 -0.336 18.945 1.155 1.00 0.00 C ATOM 1435 O ARG A 89 -0.051 19.293 0.008 1.00 0.00 O ATOM 1436 CB ARG A 89 1.308 18.527 2.993 1.00 0.00 C ATOM 1437 CG ARG A 89 2.150 19.196 4.086 1.00 0.00 C ATOM 1438 CD ARG A 89 3.155 18.190 4.650 1.00 0.00 C ATOM 1439 NE ARG A 89 2.458 17.049 5.241 1.00 0.00 N ATOM 1440 CZ ARG A 89 1.996 17.088 6.489 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.149 18.163 7.216 1.00 0.00 N ATOM 1442 NH2 ARG A 89 1.386 16.048 6.990 1.00 0.00 N ATOM 0 H ARG A 89 -0.486 19.595 4.273 1.00 0.00 H new ATOM 0 HA ARG A 89 0.954 20.418 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.724 17.710 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.958 18.093 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.675 20.059 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.503 19.564 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.820 17.847 3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.779 18.673 5.402 1.00 0.00 H new ATOM 0 HE ARG A 89 2.323 16.205 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.624 18.978 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.793 18.187 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.264 15.207 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.031 16.076 7.946 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.255 18.017 1.426 1.00 0.00 N ATOM 1457 CA LEU A 90 -1.994 17.340 0.361 1.00 0.00 C ATOM 1458 C LEU A 90 -2.882 18.310 -0.419 1.00 0.00 C ATOM 1459 O LEU A 90 -3.127 18.111 -1.609 1.00 0.00 O ATOM 1460 CB LEU A 90 -2.823 16.180 0.944 1.00 0.00 C ATOM 1461 CG LEU A 90 -4.266 16.620 1.240 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.112 16.536 -0.037 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -4.865 15.693 2.304 1.00 0.00 C ATOM 0 H LEU A 90 -1.504 17.719 2.369 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.269 16.933 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.831 15.347 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.355 15.820 1.860 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.262 17.649 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.133 16.849 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.687 17.190 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.118 15.509 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.889 15.999 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.863 14.667 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.270 15.752 3.215 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.374 19.349 0.253 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.245 20.323 -0.400 1.00 0.00 C ATOM 1477 C ALA A 91 -3.585 20.878 -1.656 1.00 0.00 C ATOM 1478 O ALA A 91 -4.235 21.020 -2.685 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.569 21.476 0.554 1.00 0.00 C ATOM 0 H ALA A 91 -3.187 19.537 1.238 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.168 19.814 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.219 22.192 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.074 21.086 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.645 21.971 0.853 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.295 21.187 -1.559 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.548 21.722 -2.696 1.00 0.00 C ATOM 1487 C GLU A 92 -1.571 20.755 -3.881 1.00 0.00 C ATOM 1488 O GLU A 92 -1.492 21.176 -5.035 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.098 21.995 -2.286 1.00 0.00 C ATOM 1490 CG GLU A 92 0.631 22.733 -3.419 1.00 0.00 C ATOM 1491 CD GLU A 92 1.212 21.740 -4.430 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.638 20.673 -4.017 1.00 0.00 O ATOM 1493 OE2 GLU A 92 1.226 22.067 -5.606 1.00 0.00 O ATOM 0 H GLU A 92 -1.745 21.077 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.026 22.652 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.074 22.593 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.410 21.056 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.060 23.409 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.431 23.346 -3.004 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.659 19.461 -3.590 1.00 0.00 N ATOM 1501 CA ASN A 93 -1.667 18.446 -4.642 1.00 0.00 C ATOM 1502 C ASN A 93 -2.958 18.502 -5.458 1.00 0.00 C ATOM 1503 O ASN A 93 -2.949 18.235 -6.659 1.00 0.00 O ATOM 1504 CB ASN A 93 -1.515 17.052 -4.025 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.182 16.937 -3.286 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.638 17.954 -3.261 1.00 0.00 O flip ATOM 1507 ND2 ASN A 93 0.120 15.890 -2.715 1.00 0.00 N flip ATOM 0 H ASN A 93 -1.725 19.090 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.829 18.649 -5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.338 16.861 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.571 16.294 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.520 15.096 -2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.010 15.816 -2.222 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.066 18.841 -4.801 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.357 18.918 -5.485 1.00 0.00 C ATOM 1516 C ILE A 94 -5.281 19.834 -6.716 1.00 0.00 C ATOM 1517 O ILE A 94 -5.587 19.407 -7.826 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.439 19.409 -4.512 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -6.787 18.281 -3.535 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -7.696 19.816 -5.290 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -7.553 18.852 -2.338 1.00 0.00 C ATOM 0 H ILE A 94 -4.097 19.065 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.620 17.919 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.065 20.273 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.390 17.525 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.876 17.788 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.459 20.163 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.449 20.617 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.075 18.957 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.799 18.047 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.935 19.592 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.472 19.324 -2.686 1.00 0.00 H new ATOM 1533 N PRO A 95 -4.881 21.073 -6.545 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.764 22.050 -7.670 1.00 0.00 C ATOM 1535 C PRO A 95 -3.671 21.673 -8.669 1.00 0.00 C ATOM 1536 O PRO A 95 -3.709 22.098 -9.822 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.430 23.378 -6.981 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.857 23.009 -5.658 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.494 21.681 -5.265 1.00 0.00 C ATOM 0 HA PRO A 95 -5.681 22.087 -8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.718 23.957 -7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.322 23.994 -6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.773 22.916 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.071 23.777 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.793 21.049 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.358 21.830 -4.618 1.00 0.00 H new ATOM 1547 N SER A 96 -2.710 20.865 -8.223 1.00 0.00 N ATOM 1548 CA SER A 96 -1.622 20.428 -9.093 1.00 0.00 C ATOM 1549 C SER A 96 -2.225 19.710 -10.271 1.00 0.00 C ATOM 1550 O SER A 96 -1.757 19.799 -11.406 1.00 0.00 O ATOM 1551 CB SER A 96 -0.672 19.493 -8.342 1.00 0.00 C ATOM 1552 OG SER A 96 -0.232 20.129 -7.149 1.00 0.00 O ATOM 0 H SER A 96 -2.663 20.502 -7.271 1.00 0.00 H new ATOM 0 HA SER A 96 -1.047 21.292 -9.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.177 18.557 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.183 19.243 -8.971 1.00 0.00 H new ATOM 0 HG SER A 96 -1.003 20.310 -6.571 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.293 19.009 -9.953 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.046 18.253 -10.917 1.00 0.00 C ATOM 1560 C ARG A 97 -4.515 19.144 -12.065 1.00 0.00 C ATOM 1561 O ARG A 97 -4.563 18.711 -13.218 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.246 17.650 -10.199 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.766 16.656 -9.137 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.963 15.896 -8.556 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.967 16.830 -8.048 1.00 0.00 N ATOM 1566 CZ ARG A 97 -8.088 17.086 -8.722 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.309 16.528 -9.883 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -8.971 17.905 -8.221 1.00 0.00 N ATOM 0 H ARG A 97 -3.663 18.951 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.419 17.471 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.837 18.438 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.895 17.147 -10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.057 15.954 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.240 17.185 -8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.405 15.261 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.629 15.240 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.805 17.297 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.620 15.890 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.170 16.731 -10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.802 18.346 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.830 18.104 -8.733 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.849 20.395 -11.743 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.299 21.344 -12.749 1.00 0.00 C ATOM 1584 C CYS A 98 -4.180 22.290 -13.103 1.00 0.00 C ATOM 1585 O CYS A 98 -4.291 23.055 -14.062 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.472 22.178 -12.235 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.322 21.292 -10.905 1.00 0.00 S ATOM 0 H CYS A 98 -4.815 20.769 -10.795 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.612 20.771 -13.622 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.113 23.141 -11.871 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.167 22.384 -13.049 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.117 22.271 -12.304 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.025 23.180 -12.550 1.00 0.00 C ATOM 1594 C ASN A 99 -1.515 23.050 -13.950 1.00 0.00 C ATOM 1595 O ASN A 99 -1.677 22.031 -14.624 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.885 23.037 -11.569 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.267 23.690 -10.244 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -2.327 24.454 -10.189 1.00 0.00 O flip ATOM 1599 ND2 ASN A 99 -0.584 23.505 -9.236 1.00 0.00 N flip ATOM 0 H ASN A 99 -2.998 21.650 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.441 24.178 -12.407 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.655 21.983 -11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.015 23.504 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.242 22.909 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.845 23.948 -8.355 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.995 24.161 -14.391 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.545 24.310 -15.746 1.00 0.00 C ATOM 1608 C LEU A 100 0.619 25.294 -15.811 1.00 0.00 C ATOM 1609 O LEU A 100 0.602 26.319 -15.131 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.751 24.835 -16.535 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.840 25.313 -15.534 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.550 26.750 -15.102 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.217 25.230 -16.178 1.00 0.00 C ATOM 0 H LEU A 100 -0.871 24.994 -13.816 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.186 23.367 -16.159 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.448 25.657 -17.183 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.150 24.051 -17.179 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.824 24.666 -14.657 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.316 27.081 -14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.573 26.795 -14.621 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.554 27.401 -15.977 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.972 25.567 -15.468 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.243 25.865 -17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.423 24.199 -16.464 1.00 0.00 H new ATOM 1625 N SER A 101 1.627 24.959 -16.616 1.00 0.00 N ATOM 1626 CA SER A 101 2.820 25.795 -16.765 1.00 0.00 C ATOM 1627 C SER A 101 2.476 27.280 -16.647 1.00 0.00 C ATOM 1628 O SER A 101 2.067 27.916 -17.620 1.00 0.00 O ATOM 1629 CB SER A 101 3.470 25.529 -18.125 1.00 0.00 C ATOM 1630 OG SER A 101 2.477 25.591 -19.142 1.00 0.00 O ATOM 0 H SER A 101 1.641 24.109 -17.179 1.00 0.00 H new ATOM 0 HA SER A 101 3.514 25.539 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.251 26.265 -18.318 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.948 24.549 -18.127 1.00 0.00 H new ATOM 0 HG SER A 101 1.942 26.404 -19.028 1.00 0.00 H new ATOM 1636 N PRO A 102 2.641 27.834 -15.472 1.00 0.00 N ATOM 1637 CA PRO A 102 2.358 29.265 -15.188 1.00 0.00 C ATOM 1638 C PRO A 102 3.555 30.144 -15.528 1.00 0.00 C ATOM 1639 O PRO A 102 4.678 29.858 -15.108 1.00 0.00 O ATOM 1640 CB PRO A 102 2.076 29.281 -13.672 1.00 0.00 C ATOM 1641 CG PRO A 102 2.307 27.877 -13.182 1.00 0.00 C ATOM 1642 CD PRO A 102 3.108 27.164 -14.261 1.00 0.00 C ATOM 0 HA PRO A 102 1.531 29.656 -15.781 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.735 29.984 -13.162 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.053 29.599 -13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.849 27.881 -12.237 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.360 27.368 -13.004 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.182 27.281 -14.117 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.904 26.093 -14.281 1.00 0.00 H new ATOM 1650 N MET A 103 3.322 31.210 -16.289 1.00 0.00 N ATOM 1651 CA MET A 103 4.414 32.100 -16.664 1.00 0.00 C ATOM 1652 C MET A 103 4.928 32.845 -15.435 1.00 0.00 C ATOM 1653 O MET A 103 6.096 32.713 -15.070 1.00 0.00 O ATOM 1654 CB MET A 103 3.929 33.104 -17.715 1.00 0.00 C ATOM 1655 CG MET A 103 5.125 33.862 -18.299 1.00 0.00 C ATOM 1656 SD MET A 103 4.535 35.205 -19.362 1.00 0.00 S ATOM 1657 CE MET A 103 3.745 34.178 -20.626 1.00 0.00 C ATOM 0 H MET A 103 2.406 31.474 -16.651 1.00 0.00 H new ATOM 0 HA MET A 103 5.226 31.506 -17.084 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.394 32.583 -18.509 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.227 33.806 -17.264 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.740 34.265 -17.495 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.755 33.181 -18.872 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.675 34.738 -21.558 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.339 33.278 -20.787 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.745 33.898 -20.295 1.00 0.00 H new ATOM 1667 N ARG A 104 4.042 33.608 -14.793 1.00 0.00 N ATOM 1668 CA ARG A 104 4.400 34.360 -13.589 1.00 0.00 C ATOM 1669 C ARG A 104 3.182 34.536 -12.684 1.00 0.00 C ATOM 1670 O ARG A 104 2.042 34.499 -13.151 1.00 0.00 O ATOM 1671 CB ARG A 104 4.953 35.745 -13.958 1.00 0.00 C ATOM 1672 CG ARG A 104 6.257 35.615 -14.757 1.00 0.00 C ATOM 1673 CD ARG A 104 7.351 34.985 -13.888 1.00 0.00 C ATOM 1674 NE ARG A 104 7.645 35.835 -12.739 1.00 0.00 N ATOM 1675 CZ ARG A 104 8.700 35.601 -11.962 1.00 0.00 C ATOM 1676 NH1 ARG A 104 9.501 34.604 -12.227 1.00 0.00 N ATOM 1677 NH2 ARG A 104 8.933 36.367 -10.935 1.00 0.00 N ATOM 0 H ARG A 104 3.072 33.722 -15.086 1.00 0.00 H new ATOM 0 HA ARG A 104 5.167 33.794 -13.060 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.215 36.292 -14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.132 36.323 -13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.089 35.003 -15.643 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.579 36.597 -15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.031 34.001 -13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.254 34.839 -14.480 1.00 0.00 H new ATOM 0 HE ARG A 104 7.032 36.622 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 104 9.319 34.003 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 104 10.309 34.426 -11.630 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.307 37.145 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.741 36.189 -10.339 1.00 0.00 H new ATOM 1691 N CYS A 105 3.433 34.760 -11.395 1.00 0.00 N ATOM 1692 CA CYS A 105 2.355 34.981 -10.432 1.00 0.00 C ATOM 1693 C CYS A 105 2.463 36.400 -9.865 1.00 0.00 C ATOM 1694 O CYS A 105 3.255 36.652 -8.957 1.00 0.00 O ATOM 1695 CB CYS A 105 2.433 33.958 -9.292 1.00 0.00 C ATOM 1696 SG CYS A 105 1.844 32.344 -9.874 1.00 0.00 S ATOM 0 H CYS A 105 4.370 34.793 -10.994 1.00 0.00 H new ATOM 0 HA CYS A 105 1.398 34.860 -10.939 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.460 33.874 -8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.830 34.293 -8.448 1.00 0.00 H new ATOM 1701 N PRO A 106 1.699 37.327 -10.399 1.00 0.00 N ATOM 1702 CA PRO A 106 1.716 38.760 -9.958 1.00 0.00 C ATOM 1703 C PRO A 106 1.381 38.956 -8.492 1.00 0.00 C ATOM 1704 O PRO A 106 1.231 40.088 -8.031 1.00 0.00 O ATOM 1705 CB PRO A 106 0.661 39.444 -10.825 1.00 0.00 C ATOM 1706 CG PRO A 106 0.433 38.530 -11.984 1.00 0.00 C ATOM 1707 CD PRO A 106 0.736 37.116 -11.492 1.00 0.00 C ATOM 0 HA PRO A 106 2.719 39.171 -10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.261 39.604 -10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.005 40.423 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.595 38.604 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.080 38.796 -12.820 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.165 36.612 -11.141 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.158 36.498 -12.284 1.00 0.00 H new ATOM 1715 N MET A 107 1.253 37.867 -7.768 1.00 0.00 N ATOM 1716 CA MET A 107 0.919 37.953 -6.365 1.00 0.00 C ATOM 1717 C MET A 107 2.120 38.391 -5.567 1.00 0.00 C ATOM 1718 O MET A 107 3.035 37.614 -5.287 1.00 0.00 O ATOM 1719 CB MET A 107 0.480 36.602 -5.880 1.00 0.00 C ATOM 1720 CG MET A 107 -0.856 36.234 -6.523 1.00 0.00 C ATOM 1721 SD MET A 107 -1.696 37.729 -7.113 1.00 0.00 S ATOM 1722 CE MET A 107 -2.309 37.054 -8.676 1.00 0.00 C ATOM 0 H MET A 107 1.374 36.919 -8.124 1.00 0.00 H new ATOM 0 HA MET A 107 0.118 38.681 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.233 35.854 -6.128 1.00 0.00 H new ATOM 0 HB3 MET A 107 0.383 36.608 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.692 35.548 -7.354 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.486 35.715 -5.800 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.240 37.552 -8.947 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.569 37.219 -9.459 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.488 35.985 -8.565 1.00 0.00 H new ATOM 1732 N GLY A 108 2.094 39.652 -5.222 1.00 0.00 N ATOM 1733 CA GLY A 108 3.165 40.258 -4.457 1.00 0.00 C ATOM 1734 C GLY A 108 4.377 40.501 -5.344 1.00 0.00 C ATOM 1735 O GLY A 108 5.510 40.550 -4.864 1.00 0.00 O ATOM 0 H GLY A 108 1.335 40.290 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.826 41.201 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.439 39.609 -3.625 1.00 0.00 H new ATOM 1739 N GLY A 109 4.122 40.658 -6.641 1.00 0.00 N ATOM 1740 CA GLY A 109 5.190 40.905 -7.606 1.00 0.00 C ATOM 1741 C GLY A 109 6.343 39.927 -7.412 1.00 0.00 C ATOM 1742 O GLY A 109 7.434 40.318 -6.991 1.00 0.00 O ATOM 0 H GLY A 109 3.187 40.619 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.798 40.813 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.554 41.927 -7.497 1.00 0.00 H new ATOM 1746 N SER A 110 6.096 38.652 -7.713 1.00 0.00 N ATOM 1747 CA SER A 110 7.126 37.628 -7.559 1.00 0.00 C ATOM 1748 C SER A 110 8.423 38.068 -8.236 1.00 0.00 C ATOM 1749 O SER A 110 8.422 38.483 -9.395 1.00 0.00 O ATOM 1750 CB SER A 110 6.647 36.309 -8.169 1.00 0.00 C ATOM 1751 OG SER A 110 7.428 35.244 -7.649 1.00 0.00 O ATOM 0 H SER A 110 5.201 38.307 -8.061 1.00 0.00 H new ATOM 0 HA SER A 110 7.316 37.485 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.594 36.149 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.734 36.344 -9.255 1.00 0.00 H new ATOM 0 HG SER A 110 7.822 34.736 -8.389 1.00 0.00 H new ATOM 1757 N ILE A 111 9.526 37.976 -7.497 1.00 0.00 N ATOM 1758 CA ILE A 111 10.836 38.370 -8.022 1.00 0.00 C ATOM 1759 C ILE A 111 11.392 37.283 -8.936 1.00 0.00 C ATOM 1760 O ILE A 111 12.164 37.558 -9.855 1.00 0.00 O ATOM 1761 CB ILE A 111 11.805 38.622 -6.862 1.00 0.00 C ATOM 1762 CG1 ILE A 111 11.237 39.726 -5.961 1.00 0.00 C ATOM 1763 CG2 ILE A 111 13.167 39.060 -7.413 1.00 0.00 C ATOM 1764 CD1 ILE A 111 12.119 39.889 -4.719 1.00 0.00 C ATOM 0 H ILE A 111 9.542 37.634 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 111 10.721 39.286 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 111 11.930 37.705 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.189 40.667 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 111 10.218 39.477 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 111 13.854 39.238 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 111 13.569 38.276 -8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.048 39.977 -7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 111 11.710 40.674 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 111 12.145 38.950 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.130 40.158 -5.024 1.00 0.00 H new ATOM 1776 N ALA A 112 10.991 36.050 -8.660 1.00 0.00 N ATOM 1777 CA ALA A 112 11.437 34.898 -9.433 1.00 0.00 C ATOM 1778 C ALA A 112 10.351 33.850 -9.438 1.00 0.00 C ATOM 1779 O ALA A 112 9.215 34.133 -9.060 1.00 0.00 O ATOM 1780 CB ALA A 112 12.680 34.290 -8.799 1.00 0.00 C ATOM 0 H ALA A 112 10.352 35.820 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 112 11.662 35.224 -10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.004 33.430 -9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 112 13.477 35.033 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.451 33.970 -7.782 1.00 0.00 H new ATOM 1786 N GLY A 113 10.693 32.631 -9.843 1.00 0.00 N ATOM 1787 CA GLY A 113 9.700 31.581 -9.839 1.00 0.00 C ATOM 1788 C GLY A 113 9.205 31.392 -8.415 1.00 0.00 C ATOM 1789 O GLY A 113 9.824 30.696 -7.610 1.00 0.00 O ATOM 0 H GLY A 113 11.621 32.358 -10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.871 31.841 -10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.128 30.653 -10.218 1.00 0.00 H new ATOM 1793 N PHE A 114 8.091 32.047 -8.125 1.00 0.00 N ATOM 1794 CA PHE A 114 7.474 32.003 -6.799 1.00 0.00 C ATOM 1795 C PHE A 114 7.551 30.600 -6.193 1.00 0.00 C ATOM 1796 O PHE A 114 7.822 30.504 -5.007 1.00 0.00 O ATOM 1797 CB PHE A 114 6.008 32.444 -6.893 1.00 0.00 C ATOM 1798 CG PHE A 114 5.275 31.574 -7.891 1.00 0.00 C ATOM 1799 CD1 PHE A 114 5.346 31.866 -9.260 1.00 0.00 C ATOM 1800 CD2 PHE A 114 4.525 30.477 -7.449 1.00 0.00 C ATOM 1801 CE1 PHE A 114 4.670 31.059 -10.184 1.00 0.00 C ATOM 1802 CE2 PHE A 114 3.849 29.672 -8.373 1.00 0.00 C ATOM 1803 CZ PHE A 114 3.921 29.963 -9.740 1.00 0.00 C ATOM 1804 OXT PHE A 114 7.337 29.644 -6.921 1.00 0.00 O ATOM 0 H PHE A 114 7.587 32.624 -8.798 1.00 0.00 H new ATOM 0 HA PHE A 114 8.024 32.684 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.533 32.371 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.952 33.489 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.922 32.713 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.468 30.252 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 114 4.727 31.282 -11.239 1.00 0.00 H new ATOM 0 HE2 PHE A 114 3.272 28.826 -8.031 1.00 0.00 H new ATOM 0 HZ PHE A 114 3.399 29.342 -10.452 1.00 0.00 H new TER 1814 PHE A 114