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 -175:sc= -0.791 (180deg=-0.996) USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -1.67 F(o=-7.2!,f=-2.5) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -3.32! C(o=-11!,f=-4.8!) USER MOD Set 2.2: A 45 HIS :FLIP no HD1:sc= -1.45 F(o=-6.2,f=-4.8) USER MOD Set 3.1: A 37 MET CE :methyl -124:sc= -0.413 (180deg=-0.0746) USER MOD Set 3.2: A 93 ASN : amide:sc= -0.0685 X(o=-0.48,f=-0.46) USER MOD Set 4.1: A 35 GLN :FLIP amide:sc= -3.9! C(o=-11!,f=-5.7!) USER MOD Set 4.2: A 83 GLN : amide:sc= -1.76 K(o=-5.7,f=-8.2) USER MOD Set 5.1: A 32 SER OG : rot -91:sc= -0.0363 USER MOD Set 5.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 25 MET CE :methyl -150:sc= -0.559 (180deg=-1.69!) USER MOD Set 6.2: A 28 GLN :FLIP amide:sc= -1.83 F(o=-20,f=-17) USER MOD Set 6.3: A 29 MET CE :methyl -135:sc= -1.3 (180deg=-2.4) USER MOD Set 6.4: A 78 GLN : amide:sc= -7.45! C(o=-17!,f=-21!) USER MOD Set 6.5: A 84 MET CE :methyl 135:sc= -0.446 (180deg=-0.792) USER MOD Set 6.6: A 87 MET CE :methyl -105:sc= -5.23! (180deg=-6.82!) USER MOD Set 7.1: A 20 HIS : no HE2:sc= -1.3 K(o=-1.7,f=-3.2) USER MOD Set 7.2: A 52 GLN : amide:sc= -0.356 K(o=-1.7,f=-4.6!) USER MOD Set 8.1: A 15 GLN : amide:sc= -4.79! C(o=-5.8!,f=-8!) USER MOD Set 8.2: A 56 MET CE :methyl -115:sc= -1.05 (180deg=-5.33!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.46) USER MOD Single : A 11 GLN : amide:sc= -0.964 K(o=-0.96,f=-5.1!) USER MOD Single : A 12 MET CE :methyl -145:sc= -0.217 (180deg=-1.75) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 MET CE :methyl -112:sc= -1.81 (180deg=-3.83!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -166:sc= -0.847 USER MOD Single : A 34 TYR OH : rot -117:sc= 0.271 USER MOD Single : A 36 THR OG1 : rot 37:sc= 0.38 USER MOD Single : A 42 MET CE :methyl -161:sc= -0.284 (180deg=-1.46) USER MOD Single : A 46 MET CE :methyl 146:sc= -0.53 (180deg=-6.23!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -133:sc= -0.166 (180deg=-1.56) USER MOD Single : A 68 MET CE :methyl 166:sc= -0.356 (180deg=-0.801) USER MOD Single : A 69 MET CE :methyl 147:sc= -0.114 (180deg=-0.707) USER MOD Single : A 72 MET CE :methyl -121:sc= -6.99! (180deg=-13.3!) USER MOD Single : A 73 GLN :FLIP amide:sc= -4.51! C(o=-6.4!,f=-4.5!) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0266 (180deg=-0.33) USER MOD Single : A 77 MET CE :methyl -172:sc= -0.733 (180deg=-0.892) USER MOD Single : A 88 MET CE :methyl -151:sc= -0.424 (180deg=-2.02!) USER MOD Single : A 96 SER OG : rot 65:sc= 0.506 USER MOD Single : A 99 ASN : amide:sc= -3.16! C(o=-3.2!,f=-5.2!) USER MOD Single : A 101 SER OG : rot 47:sc= 0.375 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 156:sc= -0.176 (180deg=-0.859) USER MOD Single : A 110 SER OG : rot 87:sc= 0.0107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.447 43.754 -6.255 1.00 0.00 N ATOM 2 CA GLU A 1 1.130 43.171 -6.635 1.00 0.00 C ATOM 3 C GLU A 1 0.554 43.947 -7.815 1.00 0.00 C ATOM 4 O GLU A 1 0.479 45.176 -7.785 1.00 0.00 O ATOM 5 CB GLU A 1 0.174 43.253 -5.439 1.00 0.00 C ATOM 6 CG GLU A 1 -1.153 42.567 -5.790 1.00 0.00 C ATOM 7 CD GLU A 1 -0.954 41.057 -5.936 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.112 40.516 -5.239 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.659 40.463 -6.736 1.00 0.00 O ATOM 0 H1 GLU A 1 2.841 43.226 -5.450 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.100 43.693 -7.062 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.321 44.751 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 1 1.258 42.127 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.623 42.774 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.003 44.295 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.890 42.769 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.548 42.979 -6.719 1.00 0.00 H new ATOM 18 N ALA A 2 0.145 43.219 -8.853 1.00 0.00 N ATOM 19 CA ALA A 2 -0.428 43.849 -10.038 1.00 0.00 C ATOM 20 C ALA A 2 -1.785 44.467 -9.712 1.00 0.00 C ATOM 21 O ALA A 2 -2.570 43.898 -8.954 1.00 0.00 O ATOM 22 CB ALA A 2 -0.593 42.814 -11.153 1.00 0.00 C ATOM 0 H ALA A 2 0.199 42.201 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 2 0.249 44.636 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.021 43.293 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.380 42.393 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.256 42.017 -10.815 1.00 0.00 H new ATOM 28 N GLU A 3 -2.051 45.633 -10.293 1.00 0.00 N ATOM 29 CA GLU A 3 -3.316 46.326 -10.064 1.00 0.00 C ATOM 30 C GLU A 3 -4.492 45.493 -10.574 1.00 0.00 C ATOM 31 O GLU A 3 -5.623 45.652 -10.113 1.00 0.00 O ATOM 32 CB GLU A 3 -3.303 47.692 -10.764 1.00 0.00 C ATOM 33 CG GLU A 3 -3.400 47.515 -12.287 1.00 0.00 C ATOM 34 CD GLU A 3 -2.209 46.713 -12.811 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.087 47.138 -12.586 1.00 0.00 O ATOM 36 OE2 GLU A 3 -2.436 45.685 -13.427 1.00 0.00 O ATOM 0 H GLU A 3 -1.411 46.117 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.436 46.473 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.136 48.298 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.388 48.228 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.329 47.005 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.430 48.491 -12.771 1.00 0.00 H new ATOM 43 N ALA A 4 -4.213 44.610 -11.531 1.00 0.00 N ATOM 44 CA ALA A 4 -5.251 43.759 -12.107 1.00 0.00 C ATOM 45 C ALA A 4 -5.687 42.682 -11.124 1.00 0.00 C ATOM 46 O ALA A 4 -6.595 41.901 -11.408 1.00 0.00 O ATOM 47 CB ALA A 4 -4.745 43.111 -13.397 1.00 0.00 C ATOM 0 H ALA A 4 -3.282 44.466 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.114 44.386 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.527 42.479 -13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.481 43.887 -14.115 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.866 42.504 -13.179 1.00 0.00 H new ATOM 53 N GLN A 5 -5.045 42.656 -9.966 1.00 0.00 N ATOM 54 CA GLN A 5 -5.379 41.685 -8.935 1.00 0.00 C ATOM 55 C GLN A 5 -6.882 41.697 -8.660 1.00 0.00 C ATOM 56 O GLN A 5 -7.489 40.652 -8.421 1.00 0.00 O ATOM 57 CB GLN A 5 -4.627 42.044 -7.658 1.00 0.00 C ATOM 58 CG GLN A 5 -4.936 41.018 -6.562 1.00 0.00 C ATOM 59 CD GLN A 5 -4.320 41.458 -5.238 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.516 42.595 -4.807 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.588 40.618 -4.559 1.00 0.00 N ATOM 0 H GLN A 5 -4.290 43.295 -9.717 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.094 40.689 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.555 42.069 -7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.914 43.042 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.015 40.908 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.544 40.042 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.427 39.677 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.177 40.903 -3.670 1.00 0.00 H new ATOM 70 N GLU A 6 -7.471 42.890 -8.695 1.00 0.00 N ATOM 71 CA GLU A 6 -8.901 43.047 -8.448 1.00 0.00 C ATOM 72 C GLU A 6 -9.726 42.147 -9.370 1.00 0.00 C ATOM 73 O GLU A 6 -10.734 41.578 -8.949 1.00 0.00 O ATOM 74 CB GLU A 6 -9.301 44.512 -8.654 1.00 0.00 C ATOM 75 CG GLU A 6 -9.098 44.907 -10.121 1.00 0.00 C ATOM 76 CD GLU A 6 -9.281 46.413 -10.287 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.416 46.859 -10.260 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.282 47.098 -10.439 1.00 0.00 O ATOM 0 H GLU A 6 -6.980 43.762 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.105 42.752 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.343 44.657 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.703 45.156 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.101 44.615 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.810 44.374 -10.751 1.00 0.00 H new ATOM 85 N GLU A 7 -9.287 42.012 -10.621 1.00 0.00 N ATOM 86 CA GLU A 7 -9.986 41.166 -11.580 1.00 0.00 C ATOM 87 C GLU A 7 -10.123 39.761 -11.021 1.00 0.00 C ATOM 88 O GLU A 7 -11.156 39.109 -11.180 1.00 0.00 O ATOM 89 CB GLU A 7 -9.216 41.124 -12.906 1.00 0.00 C ATOM 90 CG GLU A 7 -9.814 40.052 -13.826 1.00 0.00 C ATOM 91 CD GLU A 7 -9.019 38.755 -13.700 1.00 0.00 C ATOM 92 OE1 GLU A 7 -7.869 38.745 -14.109 1.00 0.00 O ATOM 93 OE2 GLU A 7 -9.571 37.791 -13.198 1.00 0.00 O ATOM 0 H GLU A 7 -8.456 42.475 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.978 41.580 -11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.260 42.098 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.164 40.909 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.857 39.876 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.800 40.398 -14.859 1.00 0.00 H new ATOM 100 N CYS A 8 -9.061 39.304 -10.366 1.00 0.00 N ATOM 101 CA CYS A 8 -9.052 37.975 -9.787 1.00 0.00 C ATOM 102 C CYS A 8 -10.077 37.869 -8.665 1.00 0.00 C ATOM 103 O CYS A 8 -10.765 36.856 -8.537 1.00 0.00 O ATOM 104 CB CYS A 8 -7.658 37.649 -9.248 1.00 0.00 C ATOM 105 SG CYS A 8 -6.446 37.836 -10.578 1.00 0.00 S ATOM 0 H CYS A 8 -8.201 39.835 -10.226 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.314 37.259 -10.566 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.411 38.313 -8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.634 36.631 -8.859 1.00 0.00 H new ATOM 110 N ARG A 9 -10.175 38.924 -7.858 1.00 0.00 N ATOM 111 CA ARG A 9 -11.124 38.944 -6.750 1.00 0.00 C ATOM 112 C ARG A 9 -12.541 38.684 -7.256 1.00 0.00 C ATOM 113 O ARG A 9 -13.295 37.922 -6.651 1.00 0.00 O ATOM 114 CB ARG A 9 -11.070 40.299 -6.039 1.00 0.00 C ATOM 115 CG ARG A 9 -11.947 40.260 -4.783 1.00 0.00 C ATOM 116 CD ARG A 9 -11.932 41.631 -4.104 1.00 0.00 C ATOM 117 NE ARG A 9 -12.672 41.581 -2.845 1.00 0.00 N ATOM 118 CZ ARG A 9 -12.132 41.070 -1.740 1.00 0.00 C ATOM 119 NH1 ARG A 9 -10.916 40.594 -1.762 1.00 0.00 N ATOM 120 NH2 ARG A 9 -12.820 41.045 -0.633 1.00 0.00 N ATOM 0 H ARG A 9 -9.613 39.770 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.852 38.157 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.041 40.538 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.414 41.086 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.968 39.986 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.581 39.498 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.904 41.941 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.375 42.377 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.624 41.946 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.377 40.613 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.506 40.203 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.770 41.416 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.408 40.654 0.215 1.00 0.00 H new ATOM 134 N GLU A 10 -12.892 39.320 -8.373 1.00 0.00 N ATOM 135 CA GLU A 10 -14.218 39.146 -8.955 1.00 0.00 C ATOM 136 C GLU A 10 -14.453 37.683 -9.316 1.00 0.00 C ATOM 137 O GLU A 10 -15.430 37.074 -8.878 1.00 0.00 O ATOM 138 CB GLU A 10 -14.352 40.014 -10.211 1.00 0.00 C ATOM 139 CG GLU A 10 -15.714 39.767 -10.872 1.00 0.00 C ATOM 140 CD GLU A 10 -15.604 38.643 -11.903 1.00 0.00 C ATOM 141 OE1 GLU A 10 -14.813 38.782 -12.823 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.310 37.659 -11.757 1.00 0.00 O ATOM 0 H GLU A 10 -12.281 39.955 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.964 39.452 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.251 41.067 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.550 39.782 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.452 39.504 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.063 40.680 -11.354 1.00 0.00 H new ATOM 149 N GLN A 11 -13.543 37.126 -10.113 1.00 0.00 N ATOM 150 CA GLN A 11 -13.650 35.731 -10.526 1.00 0.00 C ATOM 151 C GLN A 11 -13.635 34.806 -9.315 1.00 0.00 C ATOM 152 O GLN A 11 -14.320 33.786 -9.297 1.00 0.00 O ATOM 153 CB GLN A 11 -12.498 35.365 -11.466 1.00 0.00 C ATOM 154 CG GLN A 11 -12.642 36.139 -12.780 1.00 0.00 C ATOM 155 CD GLN A 11 -11.521 35.756 -13.745 1.00 0.00 C ATOM 156 OE1 GLN A 11 -10.537 35.131 -13.345 1.00 0.00 O ATOM 157 NE2 GLN A 11 -11.610 36.097 -15.001 1.00 0.00 N ATOM 0 H GLN A 11 -12.729 37.617 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.597 35.606 -11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.543 35.600 -10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.501 34.293 -11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.610 35.924 -13.232 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.612 37.211 -12.584 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.424 36.614 -15.333 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.865 35.846 -15.652 1.00 0.00 H new ATOM 166 N MET A 12 -12.843 35.168 -8.307 1.00 0.00 N ATOM 167 CA MET A 12 -12.740 34.357 -7.098 1.00 0.00 C ATOM 168 C MET A 12 -14.124 34.053 -6.532 1.00 0.00 C ATOM 169 O MET A 12 -14.427 32.906 -6.202 1.00 0.00 O ATOM 170 CB MET A 12 -11.899 35.089 -6.049 1.00 0.00 C ATOM 171 CG MET A 12 -11.576 34.138 -4.894 1.00 0.00 C ATOM 172 SD MET A 12 -10.725 35.049 -3.583 1.00 0.00 S ATOM 173 CE MET A 12 -9.225 35.456 -4.513 1.00 0.00 C ATOM 0 H MET A 12 -12.268 36.011 -8.304 1.00 0.00 H new ATOM 0 HA MET A 12 -12.256 33.415 -7.355 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.977 35.456 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.440 35.959 -5.677 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.493 33.694 -4.507 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.950 33.319 -5.248 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.366 35.440 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.079 34.724 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.326 36.450 -4.950 1.00 0.00 H new ATOM 183 N GLN A 13 -14.966 35.082 -6.432 1.00 0.00 N ATOM 184 CA GLN A 13 -16.318 34.894 -5.914 1.00 0.00 C ATOM 185 C GLN A 13 -17.077 33.906 -6.790 1.00 0.00 C ATOM 186 O GLN A 13 -17.711 32.978 -6.291 1.00 0.00 O ATOM 187 CB GLN A 13 -17.066 36.229 -5.886 1.00 0.00 C ATOM 188 CG GLN A 13 -16.341 37.207 -4.955 1.00 0.00 C ATOM 189 CD GLN A 13 -17.125 38.513 -4.837 1.00 0.00 C ATOM 190 OE1 GLN A 13 -18.220 38.677 -5.528 1.00 0.00 O flip ATOM 191 NE2 GLN A 13 -16.725 39.410 -4.094 1.00 0.00 N flip ATOM 0 H GLN A 13 -14.739 36.040 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.250 34.502 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.125 36.645 -6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.089 36.076 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.220 36.758 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.341 37.410 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.869 39.281 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.250 40.282 -4.018 1.00 0.00 H new ATOM 200 N ARG A 14 -16.974 34.101 -8.104 1.00 0.00 N ATOM 201 CA ARG A 14 -17.609 33.226 -9.061 1.00 0.00 C ATOM 202 C ARG A 14 -17.087 31.825 -8.848 1.00 0.00 C ATOM 203 O ARG A 14 -17.846 30.855 -8.823 1.00 0.00 O ATOM 204 CB ARG A 14 -17.278 33.704 -10.475 1.00 0.00 C ATOM 205 CG ARG A 14 -18.095 32.920 -11.499 1.00 0.00 C ATOM 206 CD ARG A 14 -17.826 33.495 -12.887 1.00 0.00 C ATOM 207 NE ARG A 14 -16.480 33.142 -13.332 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.214 31.953 -13.870 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.162 31.065 -14.008 1.00 0.00 N ATOM 210 NH2 ARG A 14 -15.000 31.672 -14.258 1.00 0.00 N ATOM 0 H ARG A 14 -16.449 34.868 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.691 33.236 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.491 34.769 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.214 33.574 -10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.825 31.864 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.157 32.984 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.562 33.113 -13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.936 34.579 -12.866 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.727 33.822 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.111 31.281 -13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.953 30.156 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.257 32.362 -14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.794 30.762 -14.670 1.00 0.00 H new ATOM 224 N GLN A 15 -15.771 31.741 -8.674 1.00 0.00 N ATOM 225 CA GLN A 15 -15.134 30.473 -8.438 1.00 0.00 C ATOM 226 C GLN A 15 -15.371 30.062 -6.996 1.00 0.00 C ATOM 227 O GLN A 15 -14.486 30.166 -6.145 1.00 0.00 O ATOM 228 CB GLN A 15 -13.632 30.574 -8.727 1.00 0.00 C ATOM 229 CG GLN A 15 -13.367 30.336 -10.219 1.00 0.00 C ATOM 230 CD GLN A 15 -14.333 31.153 -11.075 1.00 0.00 C ATOM 231 OE1 GLN A 15 -15.468 30.735 -11.305 1.00 0.00 O ATOM 232 NE2 GLN A 15 -13.947 32.298 -11.566 1.00 0.00 N ATOM 0 H GLN A 15 -15.137 32.540 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.558 29.720 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.263 31.557 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.089 29.841 -8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.340 30.609 -10.459 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.477 29.276 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.007 32.644 -11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.586 32.848 -12.141 1.00 0.00 H new ATOM 241 N GLN A 16 -16.579 29.595 -6.742 1.00 0.00 N ATOM 242 CA GLN A 16 -16.966 29.157 -5.409 1.00 0.00 C ATOM 243 C GLN A 16 -16.392 27.772 -5.130 1.00 0.00 C ATOM 244 O GLN A 16 -17.097 26.865 -4.683 1.00 0.00 O ATOM 245 CB GLN A 16 -18.491 29.147 -5.300 1.00 0.00 C ATOM 246 CG GLN A 16 -19.005 30.575 -5.505 1.00 0.00 C ATOM 247 CD GLN A 16 -20.529 30.621 -5.455 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.187 29.585 -5.345 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.130 31.777 -5.539 1.00 0.00 N ATOM 0 H GLN A 16 -17.314 29.508 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.567 29.847 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.919 28.480 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -18.798 28.771 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.593 31.228 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.658 30.956 -6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.581 32.632 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.149 31.825 -5.514 1.00 0.00 H new ATOM 258 N MET A 17 -15.099 27.625 -5.412 1.00 0.00 N ATOM 259 CA MET A 17 -14.407 26.356 -5.209 1.00 0.00 C ATOM 260 C MET A 17 -14.358 25.984 -3.733 1.00 0.00 C ATOM 261 O MET A 17 -14.348 24.807 -3.386 1.00 0.00 O ATOM 262 CB MET A 17 -12.978 26.445 -5.763 1.00 0.00 C ATOM 263 CG MET A 17 -12.008 26.883 -4.659 1.00 0.00 C ATOM 264 SD MET A 17 -10.525 27.591 -5.408 1.00 0.00 S ATOM 265 CE MET A 17 -11.323 29.043 -6.135 1.00 0.00 C ATOM 0 H MET A 17 -14.510 28.371 -5.782 1.00 0.00 H new ATOM 0 HA MET A 17 -14.961 25.582 -5.741 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.674 25.477 -6.161 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.944 27.155 -6.589 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.486 27.616 -4.010 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.742 26.030 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.313 28.958 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.354 29.105 -5.785 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.784 29.942 -5.837 1.00 0.00 H new ATOM 275 N LEU A 18 -14.310 26.995 -2.875 1.00 0.00 N ATOM 276 CA LEU A 18 -14.234 26.765 -1.437 1.00 0.00 C ATOM 277 C LEU A 18 -15.437 25.958 -0.934 1.00 0.00 C ATOM 278 O LEU A 18 -15.336 25.263 0.074 1.00 0.00 O ATOM 279 CB LEU A 18 -14.140 28.098 -0.680 1.00 0.00 C ATOM 280 CG LEU A 18 -14.838 29.219 -1.462 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.232 28.763 -1.892 1.00 0.00 C ATOM 282 CD2 LEU A 18 -14.963 30.459 -0.571 1.00 0.00 C ATOM 0 H LEU A 18 -14.322 27.978 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.332 26.184 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.597 27.996 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.094 28.357 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.249 29.459 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.722 29.563 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.147 27.881 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.823 28.519 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.459 31.256 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.549 30.213 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.970 30.791 -0.268 1.00 0.00 H new ATOM 294 N SER A 19 -16.568 26.044 -1.640 1.00 0.00 N ATOM 295 CA SER A 19 -17.763 25.299 -1.245 1.00 0.00 C ATOM 296 C SER A 19 -17.548 23.807 -1.483 1.00 0.00 C ATOM 297 O SER A 19 -17.639 22.991 -0.558 1.00 0.00 O ATOM 298 CB SER A 19 -18.971 25.782 -2.050 1.00 0.00 C ATOM 299 OG SER A 19 -20.144 25.140 -1.568 1.00 0.00 O ATOM 0 H SER A 19 -16.680 26.615 -2.478 1.00 0.00 H new ATOM 0 HA SER A 19 -17.950 25.469 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.072 26.864 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.830 25.560 -3.108 1.00 0.00 H new ATOM 0 HG SER A 19 -20.920 25.449 -2.081 1.00 0.00 H new ATOM 305 N HIS A 20 -17.227 23.465 -2.728 1.00 0.00 N ATOM 306 CA HIS A 20 -16.963 22.079 -3.085 1.00 0.00 C ATOM 307 C HIS A 20 -15.764 21.620 -2.283 1.00 0.00 C ATOM 308 O HIS A 20 -15.695 20.485 -1.809 1.00 0.00 O ATOM 309 CB HIS A 20 -16.667 21.959 -4.586 1.00 0.00 C ATOM 310 CG HIS A 20 -17.375 23.058 -5.334 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.754 23.791 -6.333 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.641 23.577 -5.221 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.638 24.703 -6.775 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.803 24.617 -6.130 1.00 0.00 N ATOM 0 H HIS A 20 -17.144 24.126 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.833 21.461 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.593 22.021 -4.760 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -16.994 20.987 -4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -15.800 23.662 -6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.396 23.230 -4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.430 25.418 -7.557 1.00 0.00 H new ATOM 322 N CYS A 21 -14.832 22.550 -2.119 1.00 0.00 N ATOM 323 CA CYS A 21 -13.631 22.306 -1.353 1.00 0.00 C ATOM 324 C CYS A 21 -14.001 21.979 0.091 1.00 0.00 C ATOM 325 O CYS A 21 -13.436 21.070 0.694 1.00 0.00 O ATOM 326 CB CYS A 21 -12.749 23.553 -1.408 1.00 0.00 C ATOM 327 SG CYS A 21 -11.750 23.511 -2.922 1.00 0.00 S ATOM 0 H CYS A 21 -14.893 23.488 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.086 21.460 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.367 24.451 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.102 23.594 -0.532 1.00 0.00 H new ATOM 332 N ARG A 22 -14.975 22.714 0.631 1.00 0.00 N ATOM 333 CA ARG A 22 -15.431 22.468 1.994 1.00 0.00 C ATOM 334 C ARG A 22 -15.902 21.024 2.106 1.00 0.00 C ATOM 335 O ARG A 22 -15.534 20.299 3.039 1.00 0.00 O ATOM 336 CB ARG A 22 -16.578 23.420 2.355 1.00 0.00 C ATOM 337 CG ARG A 22 -16.930 23.263 3.838 1.00 0.00 C ATOM 338 CD ARG A 22 -15.816 23.865 4.699 1.00 0.00 C ATOM 339 NE ARG A 22 -15.372 22.899 5.698 1.00 0.00 N ATOM 340 CZ ARG A 22 -14.124 22.903 6.162 1.00 0.00 C ATOM 341 NH1 ARG A 22 -13.264 23.783 5.731 1.00 0.00 N ATOM 342 NH2 ARG A 22 -13.761 22.024 7.051 1.00 0.00 N ATOM 0 H ARG A 22 -15.456 23.474 0.150 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.608 22.644 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.288 24.450 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.451 23.204 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.877 23.759 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.061 22.209 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.977 24.158 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.175 24.769 5.191 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.032 22.205 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.546 24.473 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.309 23.781 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.432 21.335 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.806 22.025 7.408 1.00 0.00 H new ATOM 356 N MET A 23 -16.695 20.596 1.125 1.00 0.00 N ATOM 357 CA MET A 23 -17.173 19.222 1.117 1.00 0.00 C ATOM 358 C MET A 23 -15.967 18.294 1.160 1.00 0.00 C ATOM 359 O MET A 23 -15.927 17.338 1.931 1.00 0.00 O ATOM 360 CB MET A 23 -17.998 18.948 -0.144 1.00 0.00 C ATOM 361 CG MET A 23 -19.266 19.804 -0.126 1.00 0.00 C ATOM 362 SD MET A 23 -20.288 19.398 -1.564 1.00 0.00 S ATOM 363 CE MET A 23 -21.554 20.666 -1.310 1.00 0.00 C ATOM 0 H MET A 23 -17.012 21.169 0.343 1.00 0.00 H new ATOM 0 HA MET A 23 -17.812 19.051 1.983 1.00 0.00 H new ATOM 0 HB2 MET A 23 -17.408 19.173 -1.032 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.261 17.892 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.825 19.626 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.004 20.862 -0.140 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.302 20.597 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.033 20.513 -0.343 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.091 21.652 -1.334 1.00 0.00 H new ATOM 373 N TYR A 24 -14.963 18.621 0.348 1.00 0.00 N ATOM 374 CA TYR A 24 -13.735 17.841 0.315 1.00 0.00 C ATOM 375 C TYR A 24 -13.142 17.748 1.719 1.00 0.00 C ATOM 376 O TYR A 24 -12.677 16.688 2.128 1.00 0.00 O ATOM 377 CB TYR A 24 -12.732 18.480 -0.658 1.00 0.00 C ATOM 378 CG TYR A 24 -11.317 18.249 -0.177 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.756 16.968 -0.239 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.569 19.318 0.333 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.448 16.757 0.209 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.261 19.106 0.779 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.700 17.826 0.717 1.00 0.00 C ATOM 384 OH TYR A 24 -7.410 17.618 1.155 1.00 0.00 O ATOM 0 H TYR A 24 -14.978 19.416 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.958 16.833 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.859 18.055 -1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.926 19.549 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.332 16.144 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.003 20.306 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.015 15.769 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.684 19.930 1.171 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.112 18.394 1.675 1.00 0.00 H new ATOM 394 N MET A 25 -13.175 18.860 2.455 1.00 0.00 N ATOM 395 CA MET A 25 -12.651 18.875 3.819 1.00 0.00 C ATOM 396 C MET A 25 -13.362 17.813 4.653 1.00 0.00 C ATOM 397 O MET A 25 -12.739 17.098 5.441 1.00 0.00 O ATOM 398 CB MET A 25 -12.857 20.251 4.451 1.00 0.00 C ATOM 399 CG MET A 25 -12.058 21.299 3.670 1.00 0.00 C ATOM 400 SD MET A 25 -10.285 21.007 3.894 1.00 0.00 S ATOM 401 CE MET A 25 -10.202 21.432 5.652 1.00 0.00 C ATOM 0 H MET A 25 -13.554 19.751 2.134 1.00 0.00 H new ATOM 0 HA MET A 25 -11.583 18.659 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.916 20.509 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.536 20.236 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.313 21.250 2.611 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.318 22.300 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.216 21.836 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.962 22.178 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.377 20.538 6.251 1.00 0.00 H new ATOM 411 N ARG A 26 -14.673 17.696 4.463 1.00 0.00 N ATOM 412 CA ARG A 26 -15.428 16.685 5.195 1.00 0.00 C ATOM 413 C ARG A 26 -14.877 15.302 4.847 1.00 0.00 C ATOM 414 O ARG A 26 -14.604 14.476 5.728 1.00 0.00 O ATOM 415 CB ARG A 26 -16.913 16.763 4.829 1.00 0.00 C ATOM 416 CG ARG A 26 -17.713 15.794 5.707 1.00 0.00 C ATOM 417 CD ARG A 26 -19.181 15.801 5.273 1.00 0.00 C ATOM 418 NE ARG A 26 -19.752 17.134 5.442 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.955 17.439 4.959 1.00 0.00 C ATOM 420 NH1 ARG A 26 -21.651 16.541 4.314 1.00 0.00 N ATOM 421 NH2 ARG A 26 -21.439 18.638 5.129 1.00 0.00 N ATOM 0 H ARG A 26 -15.223 18.272 3.826 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.327 16.863 6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.279 17.781 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.052 16.515 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.303 14.788 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.631 16.084 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.261 15.493 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.745 15.079 5.863 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.219 17.846 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -21.273 15.603 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.572 16.778 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -20.896 19.341 5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -22.360 18.873 4.760 1.00 0.00 H new ATOM 435 N GLN A 27 -14.681 15.078 3.548 1.00 0.00 N ATOM 436 CA GLN A 27 -14.126 13.819 3.070 1.00 0.00 C ATOM 437 C GLN A 27 -12.722 13.656 3.599 1.00 0.00 C ATOM 438 O GLN A 27 -12.257 12.545 3.823 1.00 0.00 O ATOM 439 CB GLN A 27 -14.102 13.775 1.538 1.00 0.00 C ATOM 440 CG GLN A 27 -15.325 13.006 1.031 1.00 0.00 C ATOM 441 CD GLN A 27 -16.584 13.839 1.232 1.00 0.00 C ATOM 442 OE1 GLN A 27 -16.482 15.054 1.694 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -17.690 13.371 0.963 1.00 0.00 N flip ATOM 0 H GLN A 27 -14.898 15.751 2.813 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.757 13.006 3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.103 14.787 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.187 13.294 1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.202 12.767 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.416 12.059 1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.767 12.420 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.529 13.934 1.101 1.00 0.00 H new ATOM 452 N GLN A 28 -12.053 14.786 3.788 1.00 0.00 N ATOM 453 CA GLN A 28 -10.700 14.789 4.283 1.00 0.00 C ATOM 454 C GLN A 28 -10.665 14.199 5.688 1.00 0.00 C ATOM 455 O GLN A 28 -9.786 13.399 6.010 1.00 0.00 O ATOM 456 CB GLN A 28 -10.177 16.221 4.247 1.00 0.00 C ATOM 457 CG GLN A 28 -9.067 16.420 5.284 1.00 0.00 C ATOM 458 CD GLN A 28 -9.655 16.927 6.598 1.00 0.00 C ATOM 459 OE1 GLN A 28 -9.443 16.259 7.698 1.00 0.00 O flip ATOM 460 NE2 GLN A 28 -10.324 17.960 6.623 1.00 0.00 N flip ATOM 0 H GLN A 28 -12.436 15.713 3.602 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.055 14.170 3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.796 16.449 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.993 16.916 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.543 15.479 5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.332 17.132 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.489 18.482 5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.713 18.294 7.505 1.00 0.00 H new ATOM 469 N MET A 29 -11.647 14.558 6.513 1.00 0.00 N ATOM 470 CA MET A 29 -11.712 13.995 7.855 1.00 0.00 C ATOM 471 C MET A 29 -11.936 12.494 7.727 1.00 0.00 C ATOM 472 O MET A 29 -11.246 11.688 8.351 1.00 0.00 O ATOM 473 CB MET A 29 -12.858 14.621 8.654 1.00 0.00 C ATOM 474 CG MET A 29 -12.567 16.102 8.904 1.00 0.00 C ATOM 475 SD MET A 29 -13.751 16.760 10.106 1.00 0.00 S ATOM 476 CE MET A 29 -15.263 16.411 9.173 1.00 0.00 C ATOM 0 H MET A 29 -12.389 15.219 6.282 1.00 0.00 H new ATOM 0 HA MET A 29 -10.782 14.203 8.383 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.796 14.512 8.109 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.979 14.099 9.603 1.00 0.00 H new ATOM 0 HG2 MET A 29 -11.550 16.225 9.276 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.635 16.659 7.970 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.921 17.280 9.208 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.008 16.190 8.136 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.772 15.553 9.612 1.00 0.00 H new ATOM 486 N GLU A 30 -12.894 12.137 6.871 1.00 0.00 N ATOM 487 CA GLU A 30 -13.205 10.734 6.605 1.00 0.00 C ATOM 488 C GLU A 30 -12.018 10.050 5.923 1.00 0.00 C ATOM 489 O GLU A 30 -11.820 8.841 6.047 1.00 0.00 O ATOM 490 CB GLU A 30 -14.436 10.645 5.699 1.00 0.00 C ATOM 491 CG GLU A 30 -15.646 11.254 6.413 1.00 0.00 C ATOM 492 CD GLU A 30 -16.871 11.199 5.504 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.963 12.031 4.615 1.00 0.00 O ATOM 494 OE2 GLU A 30 -17.699 10.327 5.710 1.00 0.00 O ATOM 0 H GLU A 30 -13.467 12.801 6.350 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.409 10.231 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.250 11.172 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.638 9.605 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.844 10.711 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.434 12.287 6.689 1.00 0.00 H new ATOM 501 N GLU A 31 -11.255 10.849 5.181 1.00 0.00 N ATOM 502 CA GLU A 31 -10.095 10.366 4.435 1.00 0.00 C ATOM 503 C GLU A 31 -9.034 9.764 5.351 1.00 0.00 C ATOM 504 O GLU A 31 -8.088 9.142 4.878 1.00 0.00 O ATOM 505 CB GLU A 31 -9.507 11.521 3.609 1.00 0.00 C ATOM 506 CG GLU A 31 -8.341 11.022 2.752 1.00 0.00 C ATOM 507 CD GLU A 31 -7.803 12.144 1.860 1.00 0.00 C ATOM 508 OE1 GLU A 31 -8.347 13.237 1.906 1.00 0.00 O ATOM 509 OE2 GLU A 31 -6.855 11.889 1.137 1.00 0.00 O ATOM 0 H GLU A 31 -11.423 11.850 5.080 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.425 9.568 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.279 11.950 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.165 12.315 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.544 10.649 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.669 10.186 2.134 1.00 0.00 H new ATOM 516 N SER A 32 -9.186 9.942 6.656 1.00 0.00 N ATOM 517 CA SER A 32 -8.212 9.396 7.595 1.00 0.00 C ATOM 518 C SER A 32 -8.018 7.892 7.366 1.00 0.00 C ATOM 519 O SER A 32 -6.903 7.378 7.445 1.00 0.00 O ATOM 520 CB SER A 32 -8.685 9.639 9.029 1.00 0.00 C ATOM 521 OG SER A 32 -9.885 8.911 9.260 1.00 0.00 O ATOM 0 H SER A 32 -9.959 10.451 7.085 1.00 0.00 H new ATOM 0 HA SER A 32 -7.258 9.898 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.916 9.327 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.855 10.703 9.192 1.00 0.00 H new ATOM 0 HG SER A 32 -10.657 9.474 9.041 1.00 0.00 H new ATOM 527 N THR A 33 -9.113 7.197 7.095 1.00 0.00 N ATOM 528 CA THR A 33 -9.069 5.752 6.862 1.00 0.00 C ATOM 529 C THR A 33 -8.399 5.383 5.528 1.00 0.00 C ATOM 530 O THR A 33 -7.504 4.538 5.486 1.00 0.00 O ATOM 531 CB THR A 33 -10.494 5.189 6.885 1.00 0.00 C ATOM 532 OG1 THR A 33 -11.133 5.577 8.094 1.00 0.00 O ATOM 533 CG2 THR A 33 -10.449 3.661 6.799 1.00 0.00 C ATOM 0 H THR A 33 -10.045 7.606 7.030 1.00 0.00 H new ATOM 0 HA THR A 33 -8.466 5.316 7.659 1.00 0.00 H new ATOM 0 HB THR A 33 -11.051 5.580 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.045 5.220 8.111 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.465 3.266 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.959 3.363 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.891 3.265 7.648 1.00 0.00 H new ATOM 541 N TYR A 34 -8.881 5.987 4.440 1.00 0.00 N ATOM 542 CA TYR A 34 -8.381 5.691 3.090 1.00 0.00 C ATOM 543 C TYR A 34 -7.332 6.688 2.586 1.00 0.00 C ATOM 544 O TYR A 34 -6.995 6.670 1.401 1.00 0.00 O ATOM 545 CB TYR A 34 -9.549 5.590 2.095 1.00 0.00 C ATOM 546 CG TYR A 34 -10.254 6.921 1.940 1.00 0.00 C ATOM 547 CD1 TYR A 34 -9.825 7.837 0.972 1.00 0.00 C ATOM 548 CD2 TYR A 34 -11.357 7.225 2.750 1.00 0.00 C ATOM 549 CE1 TYR A 34 -10.495 9.056 0.815 1.00 0.00 C ATOM 550 CE2 TYR A 34 -12.025 8.445 2.595 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.594 9.361 1.626 1.00 0.00 C ATOM 552 OH TYR A 34 -12.253 10.564 1.472 1.00 0.00 O ATOM 0 H TYR A 34 -9.621 6.688 4.465 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.873 4.729 3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.177 5.258 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.259 4.838 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.977 7.603 0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.691 6.517 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.164 9.762 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.872 8.680 3.222 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.172 11.089 2.295 1.00 0.00 H new ATOM 562 N GLN A 35 -6.855 7.576 3.460 1.00 0.00 N ATOM 563 CA GLN A 35 -5.876 8.605 3.063 1.00 0.00 C ATOM 564 C GLN A 35 -4.936 8.139 1.958 1.00 0.00 C ATOM 565 O GLN A 35 -4.526 8.948 1.124 1.00 0.00 O ATOM 566 CB GLN A 35 -5.032 9.054 4.250 1.00 0.00 C ATOM 567 CG GLN A 35 -4.606 7.851 5.097 1.00 0.00 C ATOM 568 CD GLN A 35 -4.498 8.276 6.552 1.00 0.00 C ATOM 569 OE1 GLN A 35 -5.283 9.219 6.992 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -3.685 7.739 7.305 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.125 7.609 4.443 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.470 9.437 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.149 9.586 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.600 9.754 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.332 7.044 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.649 7.465 4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.074 7.002 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.623 8.031 8.280 1.00 0.00 H new ATOM 579 N THR A 36 -4.597 6.853 1.930 1.00 0.00 N ATOM 580 CA THR A 36 -3.711 6.363 0.883 1.00 0.00 C ATOM 581 C THR A 36 -4.356 6.641 -0.470 1.00 0.00 C ATOM 582 O THR A 36 -5.346 6.010 -0.840 1.00 0.00 O ATOM 583 CB THR A 36 -3.473 4.858 1.050 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.719 4.201 1.238 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.575 4.610 2.265 1.00 0.00 C ATOM 0 H THR A 36 -4.912 6.151 2.599 1.00 0.00 H new ATOM 0 HA THR A 36 -2.749 6.871 0.949 1.00 0.00 H new ATOM 0 HB THR A 36 -2.986 4.467 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.403 4.631 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.408 3.539 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.619 5.113 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.058 5.001 3.160 1.00 0.00 H new ATOM 593 N MET A 37 -3.799 7.614 -1.186 1.00 0.00 N ATOM 594 CA MET A 37 -4.333 8.009 -2.486 1.00 0.00 C ATOM 595 C MET A 37 -4.261 6.865 -3.494 1.00 0.00 C ATOM 596 O MET A 37 -3.172 6.451 -3.896 1.00 0.00 O ATOM 597 CB MET A 37 -3.551 9.213 -3.020 1.00 0.00 C ATOM 598 CG MET A 37 -3.677 10.386 -2.041 1.00 0.00 C ATOM 599 SD MET A 37 -4.680 11.695 -2.791 1.00 0.00 S ATOM 600 CE MET A 37 -3.337 12.562 -3.641 1.00 0.00 C ATOM 0 H MET A 37 -2.979 8.143 -0.888 1.00 0.00 H new ATOM 0 HA MET A 37 -5.382 8.275 -2.351 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.502 8.948 -3.152 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.933 9.501 -3.999 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.136 10.050 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.689 10.770 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.322 13.606 -3.328 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.385 12.094 -3.389 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.494 12.508 -4.718 1.00 0.00 H new ATOM 610 N PRO A 38 -5.395 6.365 -3.926 1.00 0.00 N ATOM 611 CA PRO A 38 -5.471 5.271 -4.923 1.00 0.00 C ATOM 612 C PRO A 38 -5.570 5.817 -6.344 1.00 0.00 C ATOM 613 O PRO A 38 -6.324 6.756 -6.604 1.00 0.00 O ATOM 614 CB PRO A 38 -6.757 4.559 -4.526 1.00 0.00 C ATOM 615 CG PRO A 38 -7.653 5.650 -4.030 1.00 0.00 C ATOM 616 CD PRO A 38 -6.746 6.777 -3.508 1.00 0.00 C ATOM 0 HA PRO A 38 -4.592 4.627 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.200 4.037 -5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.575 3.813 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.297 6.013 -4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.306 5.283 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.020 7.741 -3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.816 6.877 -2.425 1.00 0.00 H new ATOM 624 N ARG A 39 -4.816 5.223 -7.259 1.00 0.00 N ATOM 625 CA ARG A 39 -4.843 5.662 -8.651 1.00 0.00 C ATOM 626 C ARG A 39 -6.225 5.436 -9.234 1.00 0.00 C ATOM 627 O ARG A 39 -6.706 6.221 -10.053 1.00 0.00 O ATOM 628 CB ARG A 39 -3.845 4.866 -9.488 1.00 0.00 C ATOM 629 CG ARG A 39 -2.479 4.826 -8.790 1.00 0.00 C ATOM 630 CD ARG A 39 -1.884 6.237 -8.737 1.00 0.00 C ATOM 631 NE ARG A 39 -0.533 6.196 -8.183 1.00 0.00 N ATOM 632 CZ ARG A 39 0.512 5.827 -8.923 1.00 0.00 C ATOM 633 NH1 ARG A 39 0.345 5.485 -10.172 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.706 5.807 -8.397 1.00 0.00 N ATOM 0 H ARG A 39 -4.185 4.445 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.583 6.720 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.214 3.852 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.744 5.319 -10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.587 4.428 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.806 4.157 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.861 6.667 -9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.515 6.883 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.386 6.456 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.588 5.500 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.147 5.203 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.838 6.073 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.507 5.525 -8.962 1.00 0.00 H new ATOM 648 N ARG A 40 -6.849 4.337 -8.817 1.00 0.00 N ATOM 649 CA ARG A 40 -8.167 3.989 -9.315 1.00 0.00 C ATOM 650 C ARG A 40 -9.198 5.007 -8.872 1.00 0.00 C ATOM 651 O ARG A 40 -9.683 4.984 -7.740 1.00 0.00 O ATOM 652 CB ARG A 40 -8.566 2.598 -8.823 1.00 0.00 C ATOM 653 CG ARG A 40 -7.613 1.560 -9.416 1.00 0.00 C ATOM 654 CD ARG A 40 -7.881 1.402 -10.917 1.00 0.00 C ATOM 655 NE ARG A 40 -7.051 0.333 -11.468 1.00 0.00 N ATOM 656 CZ ARG A 40 -5.752 0.513 -11.702 1.00 0.00 C ATOM 657 NH1 ARG A 40 -5.189 1.662 -11.440 1.00 0.00 N ATOM 658 NH2 ARG A 40 -5.040 -0.463 -12.195 1.00 0.00 N ATOM 0 H ARG A 40 -6.462 3.679 -8.140 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.129 3.987 -10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.531 2.561 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.592 2.376 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.580 1.867 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.745 0.603 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.934 1.177 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.669 2.339 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.475 -0.570 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.744 2.426 -11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.194 1.795 -11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.478 -1.361 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.045 -0.328 -12.375 1.00 0.00 H new ATOM 672 N GLY A 41 -9.529 5.886 -9.800 1.00 0.00 N ATOM 673 CA GLY A 41 -10.522 6.930 -9.557 1.00 0.00 C ATOM 674 C GLY A 41 -10.216 7.728 -8.290 1.00 0.00 C ATOM 675 O GLY A 41 -10.736 7.422 -7.216 1.00 0.00 O ATOM 0 H GLY A 41 -9.125 5.902 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.554 7.605 -10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.510 6.478 -9.471 1.00 0.00 H new ATOM 679 N MET A 42 -9.378 8.756 -8.427 1.00 0.00 N ATOM 680 CA MET A 42 -9.016 9.605 -7.290 1.00 0.00 C ATOM 681 C MET A 42 -10.269 10.207 -6.649 1.00 0.00 C ATOM 682 O MET A 42 -11.387 9.956 -7.101 1.00 0.00 O ATOM 683 CB MET A 42 -8.084 10.730 -7.753 1.00 0.00 C ATOM 684 CG MET A 42 -6.764 10.133 -8.250 1.00 0.00 C ATOM 685 SD MET A 42 -5.590 11.465 -8.609 1.00 0.00 S ATOM 686 CE MET A 42 -6.545 12.277 -9.916 1.00 0.00 C ATOM 0 H MET A 42 -8.939 9.021 -9.309 1.00 0.00 H new ATOM 0 HA MET A 42 -8.503 8.991 -6.550 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.558 11.304 -8.550 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.896 11.421 -6.931 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.350 9.463 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.938 9.537 -9.146 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.885 12.910 -10.509 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.998 11.522 -10.559 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.328 12.889 -9.468 1.00 0.00 H new ATOM 696 N GLU A 43 -10.078 11.001 -5.595 1.00 0.00 N ATOM 697 CA GLU A 43 -11.207 11.622 -4.902 1.00 0.00 C ATOM 698 C GLU A 43 -11.875 12.668 -5.798 1.00 0.00 C ATOM 699 O GLU A 43 -11.273 13.692 -6.123 1.00 0.00 O ATOM 700 CB GLU A 43 -10.722 12.293 -3.611 1.00 0.00 C ATOM 701 CG GLU A 43 -10.401 11.223 -2.563 1.00 0.00 C ATOM 702 CD GLU A 43 -9.740 11.864 -1.343 1.00 0.00 C ATOM 703 OE1 GLU A 43 -10.452 12.454 -0.547 1.00 0.00 O ATOM 704 OE2 GLU A 43 -8.530 11.754 -1.223 1.00 0.00 O ATOM 0 H GLU A 43 -9.163 11.228 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.933 10.846 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.836 12.895 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.488 12.970 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.315 10.710 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.739 10.470 -2.991 1.00 0.00 H new ATOM 711 N PRO A 44 -13.102 12.424 -6.203 1.00 0.00 N ATOM 712 CA PRO A 44 -13.866 13.360 -7.085 1.00 0.00 C ATOM 713 C PRO A 44 -14.105 14.716 -6.426 1.00 0.00 C ATOM 714 O PRO A 44 -14.179 15.739 -7.106 1.00 0.00 O ATOM 715 CB PRO A 44 -15.198 12.642 -7.344 1.00 0.00 C ATOM 716 CG PRO A 44 -14.992 11.223 -6.926 1.00 0.00 C ATOM 717 CD PRO A 44 -13.895 11.233 -5.867 1.00 0.00 C ATOM 0 HA PRO A 44 -13.315 13.580 -8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.006 13.102 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.475 12.702 -8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.913 10.800 -6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.703 10.607 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.309 11.298 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.292 10.326 -5.906 1.00 0.00 H new ATOM 725 N HIS A 45 -14.227 14.717 -5.100 1.00 0.00 N ATOM 726 CA HIS A 45 -14.459 15.957 -4.364 1.00 0.00 C ATOM 727 C HIS A 45 -13.414 17.000 -4.741 1.00 0.00 C ATOM 728 O HIS A 45 -13.732 18.177 -4.911 1.00 0.00 O ATOM 729 CB HIS A 45 -14.410 15.690 -2.858 1.00 0.00 C ATOM 730 CG HIS A 45 -15.545 14.778 -2.481 1.00 0.00 C ATOM 731 ND1 HIS A 45 -15.629 13.412 -2.377 1.00 0.00 N flip ATOM 732 CD2 HIS A 45 -16.806 15.260 -2.166 1.00 0.00 C flip ATOM 733 CE1 HIS A 45 -16.920 13.050 -2.005 1.00 0.00 C flip ATOM 734 NE2 HIS A 45 -17.588 14.201 -1.892 1.00 0.00 N flip ATOM 0 H HIS A 45 -14.170 13.881 -4.518 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.446 16.339 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.457 15.235 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.483 16.628 -2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.106 16.297 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.300 12.052 -1.842 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.571 14.268 -1.630 1.00 0.00 H new ATOM 742 N MET A 46 -12.169 16.554 -4.887 1.00 0.00 N ATOM 743 CA MET A 46 -11.085 17.453 -5.264 1.00 0.00 C ATOM 744 C MET A 46 -11.333 18.001 -6.667 1.00 0.00 C ATOM 745 O MET A 46 -11.100 19.179 -6.940 1.00 0.00 O ATOM 746 CB MET A 46 -9.754 16.695 -5.244 1.00 0.00 C ATOM 747 CG MET A 46 -9.458 16.202 -3.825 1.00 0.00 C ATOM 748 SD MET A 46 -7.834 15.403 -3.796 1.00 0.00 S ATOM 749 CE MET A 46 -7.885 14.837 -2.078 1.00 0.00 C ATOM 0 H MET A 46 -11.888 15.583 -4.751 1.00 0.00 H new ATOM 0 HA MET A 46 -11.044 18.279 -4.554 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.796 15.850 -5.931 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.950 17.345 -5.588 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.477 17.038 -3.126 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.227 15.500 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.361 13.885 -1.993 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.402 15.575 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.922 14.710 -1.767 1.00 0.00 H new ATOM 759 N SER A 47 -11.812 17.123 -7.548 1.00 0.00 N ATOM 760 CA SER A 47 -12.103 17.494 -8.930 1.00 0.00 C ATOM 761 C SER A 47 -13.139 18.614 -9.002 1.00 0.00 C ATOM 762 O SER A 47 -13.112 19.430 -9.921 1.00 0.00 O ATOM 763 CB SER A 47 -12.617 16.276 -9.699 1.00 0.00 C ATOM 764 OG SER A 47 -12.690 16.591 -11.084 1.00 0.00 O ATOM 0 H SER A 47 -12.007 16.147 -7.327 1.00 0.00 H new ATOM 0 HA SER A 47 -11.178 17.854 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.953 15.426 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.600 15.986 -9.328 1.00 0.00 H new ATOM 0 HG SER A 47 -13.018 15.812 -11.580 1.00 0.00 H new ATOM 770 N GLU A 48 -14.063 18.636 -8.042 1.00 0.00 N ATOM 771 CA GLU A 48 -15.115 19.652 -8.029 1.00 0.00 C ATOM 772 C GLU A 48 -14.514 21.056 -8.005 1.00 0.00 C ATOM 773 O GLU A 48 -14.946 21.939 -8.747 1.00 0.00 O ATOM 774 CB GLU A 48 -16.003 19.458 -6.798 1.00 0.00 C ATOM 775 CG GLU A 48 -16.676 18.082 -6.859 1.00 0.00 C ATOM 776 CD GLU A 48 -17.570 17.862 -5.636 1.00 0.00 C ATOM 777 OE1 GLU A 48 -17.428 18.597 -4.671 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.379 16.950 -5.679 1.00 0.00 O ATOM 0 H GLU A 48 -14.105 17.970 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.710 19.543 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.406 19.542 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.759 20.242 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.270 18.002 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.916 17.302 -6.905 1.00 0.00 H new ATOM 785 N CYS A 49 -13.511 21.253 -7.158 1.00 0.00 N ATOM 786 CA CYS A 49 -12.848 22.549 -7.060 1.00 0.00 C ATOM 787 C CYS A 49 -11.997 22.819 -8.306 1.00 0.00 C ATOM 788 O CYS A 49 -11.734 23.968 -8.647 1.00 0.00 O ATOM 789 CB CYS A 49 -11.961 22.592 -5.808 1.00 0.00 C ATOM 790 SG CYS A 49 -12.994 22.757 -4.330 1.00 0.00 S ATOM 0 H CYS A 49 -13.140 20.538 -6.533 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.614 23.321 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.362 21.684 -5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.266 23.429 -5.872 1.00 0.00 H new ATOM 795 N CYS A 50 -11.551 21.741 -8.955 1.00 0.00 N ATOM 796 CA CYS A 50 -10.692 21.837 -10.143 1.00 0.00 C ATOM 797 C CYS A 50 -11.242 22.773 -11.221 1.00 0.00 C ATOM 798 O CYS A 50 -10.492 23.562 -11.796 1.00 0.00 O ATOM 799 CB CYS A 50 -10.496 20.449 -10.754 1.00 0.00 C ATOM 800 SG CYS A 50 -9.167 20.514 -11.980 1.00 0.00 S ATOM 0 H CYS A 50 -11.771 20.785 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.746 22.256 -9.800 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -10.251 19.728 -9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.421 20.112 -11.222 1.00 0.00 H new ATOM 805 N GLU A 51 -12.533 22.666 -11.521 1.00 0.00 N ATOM 806 CA GLU A 51 -13.130 23.498 -12.567 1.00 0.00 C ATOM 807 C GLU A 51 -12.953 24.989 -12.282 1.00 0.00 C ATOM 808 O GLU A 51 -12.787 25.784 -13.207 1.00 0.00 O ATOM 809 CB GLU A 51 -14.621 23.177 -12.714 1.00 0.00 C ATOM 810 CG GLU A 51 -14.790 21.785 -13.341 1.00 0.00 C ATOM 811 CD GLU A 51 -14.597 20.690 -12.292 1.00 0.00 C ATOM 812 OE1 GLU A 51 -14.998 20.898 -11.160 1.00 0.00 O ATOM 813 OE2 GLU A 51 -14.065 19.650 -12.643 1.00 0.00 O ATOM 0 H GLU A 51 -13.179 22.023 -11.064 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.611 23.269 -13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.108 23.209 -11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.105 23.929 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.782 21.699 -13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.068 21.654 -14.147 1.00 0.00 H new ATOM 820 N GLN A 52 -12.999 25.365 -11.009 1.00 0.00 N ATOM 821 CA GLN A 52 -12.851 26.770 -10.631 1.00 0.00 C ATOM 822 C GLN A 52 -11.523 27.351 -11.111 1.00 0.00 C ATOM 823 O GLN A 52 -11.496 28.290 -11.907 1.00 0.00 O ATOM 824 CB GLN A 52 -12.945 26.910 -9.111 1.00 0.00 C ATOM 825 CG GLN A 52 -14.401 27.133 -8.718 1.00 0.00 C ATOM 826 CD GLN A 52 -15.211 25.865 -8.964 1.00 0.00 C ATOM 827 OE1 GLN A 52 -14.968 24.839 -8.329 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.165 25.873 -9.855 1.00 0.00 N ATOM 0 H GLN A 52 -13.136 24.726 -10.226 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.656 27.327 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.558 26.014 -8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.332 27.745 -8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.463 27.415 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.819 27.958 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.365 26.724 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.710 25.028 -10.026 1.00 0.00 H new ATOM 837 N LEU A 53 -10.429 26.792 -10.608 1.00 0.00 N ATOM 838 CA LEU A 53 -9.090 27.257 -10.969 1.00 0.00 C ATOM 839 C LEU A 53 -8.897 27.155 -12.464 1.00 0.00 C ATOM 840 O LEU A 53 -8.511 28.109 -13.140 1.00 0.00 O ATOM 841 CB LEU A 53 -8.026 26.377 -10.304 1.00 0.00 C ATOM 842 CG LEU A 53 -8.463 25.903 -8.907 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.469 26.875 -8.260 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.096 24.517 -9.051 1.00 0.00 C ATOM 0 H LEU A 53 -10.440 26.015 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.989 28.290 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.826 25.511 -10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.093 26.935 -10.223 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.589 25.866 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.752 26.503 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.011 27.859 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.357 26.951 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.414 24.159 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.959 24.578 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.366 23.825 -9.470 1.00 0.00 H new ATOM 856 N GLU A 54 -9.173 25.962 -12.949 1.00 0.00 N ATOM 857 CA GLU A 54 -9.053 25.637 -14.350 1.00 0.00 C ATOM 858 C GLU A 54 -9.816 26.638 -15.219 1.00 0.00 C ATOM 859 O GLU A 54 -9.416 26.919 -16.350 1.00 0.00 O ATOM 860 CB GLU A 54 -9.574 24.216 -14.526 1.00 0.00 C ATOM 861 CG GLU A 54 -9.474 23.784 -15.994 1.00 0.00 C ATOM 862 CD GLU A 54 -10.077 22.389 -16.187 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.583 21.835 -15.222 1.00 0.00 O ATOM 864 OE2 GLU A 54 -10.023 21.896 -17.301 1.00 0.00 O ATOM 0 H GLU A 54 -9.491 25.183 -12.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.014 25.697 -14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.001 23.532 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.611 24.159 -14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.995 24.502 -16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.430 23.782 -16.308 1.00 0.00 H new ATOM 871 N GLY A 55 -10.903 27.182 -14.678 1.00 0.00 N ATOM 872 CA GLY A 55 -11.704 28.163 -15.407 1.00 0.00 C ATOM 873 C GLY A 55 -11.265 29.590 -15.072 1.00 0.00 C ATOM 874 O GLY A 55 -11.625 30.539 -15.770 1.00 0.00 O ATOM 0 H GLY A 55 -11.248 26.963 -13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.607 27.992 -16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.757 28.035 -15.157 1.00 0.00 H new ATOM 878 N MET A 56 -10.490 29.730 -13.997 1.00 0.00 N ATOM 879 CA MET A 56 -10.005 31.042 -13.563 1.00 0.00 C ATOM 880 C MET A 56 -8.710 31.422 -14.279 1.00 0.00 C ATOM 881 O MET A 56 -7.918 30.557 -14.654 1.00 0.00 O ATOM 882 CB MET A 56 -9.775 31.034 -12.049 1.00 0.00 C ATOM 883 CG MET A 56 -9.101 32.341 -11.621 1.00 0.00 C ATOM 884 SD MET A 56 -8.982 32.400 -9.817 1.00 0.00 S ATOM 885 CE MET A 56 -10.715 32.810 -9.495 1.00 0.00 C ATOM 0 H MET A 56 -10.184 28.953 -13.411 1.00 0.00 H new ATOM 0 HA MET A 56 -10.763 31.783 -13.817 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.725 30.916 -11.528 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.152 30.184 -11.771 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.107 32.411 -12.064 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.674 33.194 -11.986 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.777 33.802 -9.047 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.271 32.800 -10.432 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.142 32.076 -8.812 1.00 0.00 H new ATOM 895 N ASP A 57 -8.505 32.730 -14.455 1.00 0.00 N ATOM 896 CA ASP A 57 -7.302 33.236 -15.117 1.00 0.00 C ATOM 897 C ASP A 57 -6.044 32.695 -14.438 1.00 0.00 C ATOM 898 O ASP A 57 -6.038 32.444 -13.233 1.00 0.00 O ATOM 899 CB ASP A 57 -7.291 34.769 -15.078 1.00 0.00 C ATOM 900 CG ASP A 57 -8.469 35.337 -15.874 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.052 34.601 -16.655 1.00 0.00 O ATOM 902 OD2 ASP A 57 -8.770 36.503 -15.689 1.00 0.00 O ATOM 0 H ASP A 57 -9.154 33.455 -14.149 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.311 32.899 -16.154 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.344 35.112 -14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.353 35.142 -15.490 1.00 0.00 H new ATOM 907 N GLU A 58 -4.985 32.509 -15.224 1.00 0.00 N ATOM 908 CA GLU A 58 -3.726 31.986 -14.694 1.00 0.00 C ATOM 909 C GLU A 58 -3.211 32.811 -13.516 1.00 0.00 C ATOM 910 O GLU A 58 -3.007 32.283 -12.423 1.00 0.00 O ATOM 911 CB GLU A 58 -2.667 31.984 -15.796 1.00 0.00 C ATOM 912 CG GLU A 58 -1.309 31.641 -15.183 1.00 0.00 C ATOM 913 CD GLU A 58 -0.215 31.720 -16.244 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.248 30.919 -17.164 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.641 32.582 -16.121 1.00 0.00 O ATOM 0 H GLU A 58 -4.972 32.711 -16.224 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.917 30.973 -14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.927 31.257 -16.566 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.626 32.960 -16.280 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.086 32.330 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.338 30.639 -14.755 1.00 0.00 H new ATOM 922 N SER A 59 -2.991 34.101 -13.749 1.00 0.00 N ATOM 923 CA SER A 59 -2.489 34.982 -12.699 1.00 0.00 C ATOM 924 C SER A 59 -3.405 34.936 -11.485 1.00 0.00 C ATOM 925 O SER A 59 -2.956 35.029 -10.343 1.00 0.00 O ATOM 926 CB SER A 59 -2.401 36.416 -13.222 1.00 0.00 C ATOM 927 OG SER A 59 -1.507 36.460 -14.326 1.00 0.00 O ATOM 0 H SER A 59 -3.151 34.557 -14.647 1.00 0.00 H new ATOM 0 HA SER A 59 -1.496 34.642 -12.404 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.388 36.766 -13.525 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.055 37.083 -12.432 1.00 0.00 H new ATOM 0 HG SER A 59 -1.450 37.378 -14.664 1.00 0.00 H new ATOM 933 N CYS A 60 -4.692 34.790 -11.757 1.00 0.00 N ATOM 934 CA CYS A 60 -5.698 34.728 -10.703 1.00 0.00 C ATOM 935 C CYS A 60 -5.663 33.382 -9.990 1.00 0.00 C ATOM 936 O CYS A 60 -6.083 33.267 -8.838 1.00 0.00 O ATOM 937 CB CYS A 60 -7.086 34.972 -11.294 1.00 0.00 C ATOM 938 SG CYS A 60 -7.128 36.619 -12.039 1.00 0.00 S ATOM 0 H CYS A 60 -5.068 34.712 -12.702 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.475 35.505 -9.972 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.315 34.214 -12.043 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.846 34.891 -10.517 1.00 0.00 H new ATOM 943 N ARG A 61 -5.176 32.362 -10.691 1.00 0.00 N ATOM 944 CA ARG A 61 -5.109 31.020 -10.128 1.00 0.00 C ATOM 945 C ARG A 61 -4.206 30.991 -8.898 1.00 0.00 C ATOM 946 O ARG A 61 -4.550 30.381 -7.886 1.00 0.00 O ATOM 947 CB ARG A 61 -4.563 30.050 -11.181 1.00 0.00 C ATOM 948 CG ARG A 61 -4.688 28.608 -10.681 1.00 0.00 C ATOM 949 CD ARG A 61 -3.985 27.665 -11.661 1.00 0.00 C ATOM 950 NE ARG A 61 -4.517 27.849 -13.009 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.537 27.124 -13.464 1.00 0.00 C ATOM 952 NH1 ARG A 61 -6.086 26.209 -12.710 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.990 27.330 -14.670 1.00 0.00 N ATOM 0 H ARG A 61 -4.824 32.440 -11.645 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.114 30.720 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.112 30.168 -12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.519 30.281 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.244 28.516 -9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.739 28.334 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.912 27.858 -11.656 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.124 26.631 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.096 28.551 -13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.734 26.047 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.867 25.657 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.563 28.044 -15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.771 26.777 -15.023 1.00 0.00 H new ATOM 967 N CYS A 62 -3.056 31.655 -8.985 1.00 0.00 N ATOM 968 CA CYS A 62 -2.124 31.691 -7.861 1.00 0.00 C ATOM 969 C CYS A 62 -2.807 32.270 -6.621 1.00 0.00 C ATOM 970 O CYS A 62 -2.873 31.624 -5.574 1.00 0.00 O ATOM 971 CB CYS A 62 -0.895 32.541 -8.214 1.00 0.00 C ATOM 972 SG CYS A 62 -0.614 32.518 -10.004 1.00 0.00 S ATOM 0 H CYS A 62 -2.750 32.169 -9.811 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.804 30.671 -7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.043 33.566 -7.875 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.017 32.157 -7.695 1.00 0.00 H new ATOM 977 N GLU A 63 -3.305 33.497 -6.756 1.00 0.00 N ATOM 978 CA GLU A 63 -3.981 34.188 -5.658 1.00 0.00 C ATOM 979 C GLU A 63 -5.171 33.390 -5.126 1.00 0.00 C ATOM 980 O GLU A 63 -5.410 33.345 -3.918 1.00 0.00 O ATOM 981 CB GLU A 63 -4.473 35.553 -6.148 1.00 0.00 C ATOM 982 CG GLU A 63 -5.024 36.366 -4.969 1.00 0.00 C ATOM 983 CD GLU A 63 -5.609 37.694 -5.457 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.658 37.900 -6.661 1.00 0.00 O ATOM 985 OE2 GLU A 63 -6.006 38.485 -4.618 1.00 0.00 O ATOM 0 H GLU A 63 -3.253 34.037 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.264 34.304 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.655 36.095 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.248 35.420 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.793 35.792 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.229 36.556 -4.248 1.00 0.00 H new ATOM 992 N GLY A 64 -5.930 32.789 -6.038 1.00 0.00 N ATOM 993 CA GLY A 64 -7.117 32.027 -5.660 1.00 0.00 C ATOM 994 C GLY A 64 -6.796 30.881 -4.705 1.00 0.00 C ATOM 995 O GLY A 64 -7.414 30.759 -3.648 1.00 0.00 O ATOM 0 H GLY A 64 -5.745 32.814 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.839 32.695 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.589 31.627 -6.557 1.00 0.00 H new ATOM 999 N LEU A 65 -5.845 30.036 -5.088 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.474 28.889 -4.260 1.00 0.00 C ATOM 1001 C LEU A 65 -5.069 29.313 -2.850 1.00 0.00 C ATOM 1002 O LEU A 65 -5.553 28.752 -1.866 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.320 28.126 -4.917 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.757 27.617 -6.294 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.616 26.820 -6.931 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.988 26.716 -6.143 1.00 0.00 C ATOM 0 H LEU A 65 -5.320 30.120 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.349 28.244 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.451 28.777 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.020 27.289 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.006 28.466 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.928 26.458 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.742 27.462 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.365 25.972 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.297 26.355 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.742 25.867 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.802 27.284 -5.692 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.174 30.293 -2.756 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.710 30.764 -1.454 1.00 0.00 C ATOM 1020 C ARG A 66 -4.874 31.252 -0.594 1.00 0.00 C ATOM 1021 O ARG A 66 -5.046 30.810 0.544 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.706 31.905 -1.642 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.461 31.386 -2.368 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.405 32.492 -2.426 1.00 0.00 C ATOM 1025 NE ARG A 66 0.685 32.105 -3.319 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.668 32.416 -4.614 1.00 0.00 C ATOM 1027 NH1 ARG A 66 -0.339 33.074 -5.121 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.662 32.059 -5.381 1.00 0.00 N ATOM 0 H ARG A 66 -3.760 30.772 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.232 29.927 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.162 32.712 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.427 32.320 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.062 30.514 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.722 31.065 -3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.859 33.420 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.015 32.685 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 66 1.477 31.585 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.118 33.353 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.347 33.309 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.449 31.543 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.651 32.296 -6.373 1.00 0.00 H new ATOM 1042 N MET A 67 -5.663 32.170 -1.145 1.00 0.00 N ATOM 1043 CA MET A 67 -6.806 32.728 -0.426 1.00 0.00 C ATOM 1044 C MET A 67 -7.833 31.657 -0.062 1.00 0.00 C ATOM 1045 O MET A 67 -8.313 31.608 1.071 1.00 0.00 O ATOM 1046 CB MET A 67 -7.474 33.812 -1.282 1.00 0.00 C ATOM 1047 CG MET A 67 -8.961 33.922 -0.922 1.00 0.00 C ATOM 1048 SD MET A 67 -9.508 35.638 -1.116 1.00 0.00 S ATOM 1049 CE MET A 67 -8.664 36.318 0.334 1.00 0.00 C ATOM 0 H MET A 67 -5.533 32.543 -2.085 1.00 0.00 H new ATOM 0 HA MET A 67 -6.434 33.159 0.503 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.980 34.770 -1.120 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.364 33.571 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.550 33.267 -1.564 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.122 33.592 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.356 36.944 0.897 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.315 35.503 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.812 36.917 0.012 1.00 0.00 H new ATOM 1059 N MET A 68 -8.186 30.824 -1.035 1.00 0.00 N ATOM 1060 CA MET A 68 -9.187 29.785 -0.814 1.00 0.00 C ATOM 1061 C MET A 68 -8.813 28.871 0.348 1.00 0.00 C ATOM 1062 O MET A 68 -9.678 28.472 1.123 1.00 0.00 O ATOM 1063 CB MET A 68 -9.356 28.945 -2.079 1.00 0.00 C ATOM 1064 CG MET A 68 -10.171 29.703 -3.134 1.00 0.00 C ATOM 1065 SD MET A 68 -10.352 31.443 -2.666 1.00 0.00 S ATOM 1066 CE MET A 68 -12.132 31.412 -2.343 1.00 0.00 C ATOM 0 H MET A 68 -7.798 30.847 -1.978 1.00 0.00 H new ATOM 0 HA MET A 68 -10.124 30.284 -0.566 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.377 28.690 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.854 28.007 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.679 29.630 -4.104 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.154 29.245 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.420 32.315 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.673 31.366 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.378 30.537 -1.742 1.00 0.00 H new ATOM 1076 N MET A 69 -7.533 28.538 0.469 1.00 0.00 N ATOM 1077 CA MET A 69 -7.094 27.663 1.553 1.00 0.00 C ATOM 1078 C MET A 69 -7.601 28.186 2.897 1.00 0.00 C ATOM 1079 O MET A 69 -8.186 27.443 3.683 1.00 0.00 O ATOM 1080 CB MET A 69 -5.564 27.585 1.573 1.00 0.00 C ATOM 1081 CG MET A 69 -5.112 26.532 2.590 1.00 0.00 C ATOM 1082 SD MET A 69 -3.304 26.533 2.700 1.00 0.00 S ATOM 1083 CE MET A 69 -3.128 28.071 3.639 1.00 0.00 C ATOM 0 H MET A 69 -6.792 28.853 -0.157 1.00 0.00 H new ATOM 0 HA MET A 69 -7.504 26.667 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.191 27.330 0.581 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.144 28.557 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.546 26.745 3.567 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.468 25.546 2.291 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.265 27.997 4.301 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.986 28.904 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.027 28.240 4.232 1.00 0.00 H new ATOM 1093 N ARG A 70 -7.370 29.473 3.139 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.795 30.125 4.378 1.00 0.00 C ATOM 1095 C ARG A 70 -9.313 30.047 4.578 1.00 0.00 C ATOM 1096 O ARG A 70 -9.794 29.984 5.710 1.00 0.00 O ATOM 1097 CB ARG A 70 -7.361 31.594 4.352 1.00 0.00 C ATOM 1098 CG ARG A 70 -7.674 32.255 5.699 1.00 0.00 C ATOM 1099 CD ARG A 70 -7.218 33.715 5.670 1.00 0.00 C ATOM 1100 NE ARG A 70 -8.052 34.486 4.751 1.00 0.00 N ATOM 1101 CZ ARG A 70 -7.712 35.715 4.370 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -6.613 36.261 4.815 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -8.480 36.377 3.548 1.00 0.00 N ATOM 0 H ARG A 70 -6.886 30.092 2.488 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.323 29.601 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.294 31.663 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.878 32.121 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.743 32.201 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.169 31.721 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.277 34.142 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.174 33.772 5.360 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.914 34.073 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.011 35.745 5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.356 37.203 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.339 35.952 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.221 37.319 3.255 1.00 0.00 H new ATOM 1117 N MET A 71 -10.058 30.086 3.476 1.00 0.00 N ATOM 1118 CA MET A 71 -11.516 30.056 3.535 1.00 0.00 C ATOM 1119 C MET A 71 -12.028 28.803 4.233 1.00 0.00 C ATOM 1120 O MET A 71 -13.090 28.829 4.856 1.00 0.00 O ATOM 1121 CB MET A 71 -12.102 30.131 2.120 1.00 0.00 C ATOM 1122 CG MET A 71 -11.701 31.457 1.465 1.00 0.00 C ATOM 1123 SD MET A 71 -12.269 32.844 2.483 1.00 0.00 S ATOM 1124 CE MET A 71 -14.048 32.600 2.252 1.00 0.00 C ATOM 0 H MET A 71 -9.676 30.138 2.532 1.00 0.00 H new ATOM 0 HA MET A 71 -11.838 30.921 4.115 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.741 29.295 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.188 30.048 2.161 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.618 31.501 1.346 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.134 31.525 0.467 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.592 33.414 2.732 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.278 32.588 1.187 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.346 31.651 2.699 1.00 0.00 H new ATOM 1134 N MET A 72 -11.288 27.703 4.116 1.00 0.00 N ATOM 1135 CA MET A 72 -11.719 26.457 4.737 1.00 0.00 C ATOM 1136 C MET A 72 -11.954 26.657 6.230 1.00 0.00 C ATOM 1137 O MET A 72 -12.960 26.211 6.783 1.00 0.00 O ATOM 1138 CB MET A 72 -10.660 25.360 4.545 1.00 0.00 C ATOM 1139 CG MET A 72 -10.497 25.018 3.061 1.00 0.00 C ATOM 1140 SD MET A 72 -12.122 24.941 2.268 1.00 0.00 S ATOM 1141 CE MET A 72 -12.169 26.662 1.718 1.00 0.00 C ATOM 0 H MET A 72 -10.405 27.649 3.608 1.00 0.00 H new ATOM 0 HA MET A 72 -12.649 26.152 4.257 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.706 25.693 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.949 24.467 5.099 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.878 25.770 2.571 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.984 24.063 2.953 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.037 27.159 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.261 27.172 2.039 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.238 26.695 0.631 1.00 0.00 H new ATOM 1151 N GLN A 73 -11.009 27.333 6.866 1.00 0.00 N ATOM 1152 CA GLN A 73 -11.086 27.606 8.295 1.00 0.00 C ATOM 1153 C GLN A 73 -12.309 28.456 8.623 1.00 0.00 C ATOM 1154 O GLN A 73 -13.046 28.170 9.567 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.812 28.333 8.749 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.595 27.397 8.642 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.552 26.724 7.270 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.429 27.458 6.195 1.00 0.00 O flip ATOM 1159 NE2 GLN A 73 -8.634 25.500 7.176 1.00 0.00 N flip ATOM 0 H GLN A 73 -10.175 27.705 6.412 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.177 26.657 8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.653 29.219 8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.927 28.675 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.678 27.964 8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.643 26.639 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.730 24.929 8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.606 25.056 6.258 1.00 0.00 H new ATOM 1168 N GLN A 74 -12.508 29.510 7.837 1.00 0.00 N ATOM 1169 CA GLN A 74 -13.631 30.415 8.045 1.00 0.00 C ATOM 1170 C GLN A 74 -14.974 29.721 7.835 1.00 0.00 C ATOM 1171 O GLN A 74 -15.880 29.844 8.661 1.00 0.00 O ATOM 1172 CB GLN A 74 -13.509 31.614 7.100 1.00 0.00 C ATOM 1173 CG GLN A 74 -14.882 32.268 6.921 1.00 0.00 C ATOM 1174 CD GLN A 74 -15.412 31.974 5.525 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -15.022 30.892 4.915 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -16.200 32.746 4.980 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.906 29.757 7.051 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.597 30.753 9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.800 32.337 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.120 31.291 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.576 31.890 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.805 33.345 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.502 33.592 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.552 32.540 4.045 1.00 0.00 H new ATOM 1185 N LYS A 75 -15.106 29.018 6.719 1.00 0.00 N ATOM 1186 CA LYS A 75 -16.357 28.343 6.401 1.00 0.00 C ATOM 1187 C LYS A 75 -16.733 27.355 7.497 1.00 0.00 C ATOM 1188 O LYS A 75 -17.863 27.356 7.988 1.00 0.00 O ATOM 1189 CB LYS A 75 -16.208 27.605 5.066 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.561 27.032 4.627 1.00 0.00 C ATOM 1191 CD LYS A 75 -18.451 28.158 4.091 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.747 27.565 3.530 1.00 0.00 C ATOM 1193 NZ LYS A 75 -20.509 26.906 4.628 1.00 0.00 N ATOM 0 H LYS A 75 -14.369 28.900 6.024 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.149 29.088 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.829 28.287 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.479 26.801 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.413 26.275 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.048 26.540 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.678 28.866 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.926 28.711 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.351 28.350 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.519 26.842 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.490 26.746 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.065 25.995 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.504 27.517 5.469 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.777 26.520 7.875 1.00 0.00 N ATOM 1208 CA GLU A 76 -16.008 25.525 8.921 1.00 0.00 C ATOM 1209 C GLU A 76 -14.692 24.888 9.363 1.00 0.00 C ATOM 1210 O GLU A 76 -14.392 23.759 8.976 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.966 24.441 8.409 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.386 23.528 9.569 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.265 24.289 10.564 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.939 25.220 10.149 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.249 23.930 11.730 1.00 0.00 O ATOM 0 H GLU A 76 -14.838 26.508 7.478 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.455 26.026 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.846 24.903 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.482 23.854 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.929 22.666 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.500 23.146 10.077 1.00 0.00 H new ATOM 1222 N MET A 77 -13.905 25.607 10.161 1.00 0.00 N ATOM 1223 CA MET A 77 -12.626 25.070 10.625 1.00 0.00 C ATOM 1224 C MET A 77 -12.820 23.705 11.288 1.00 0.00 C ATOM 1225 O MET A 77 -13.052 23.617 12.495 1.00 0.00 O ATOM 1226 CB MET A 77 -11.980 26.038 11.624 1.00 0.00 C ATOM 1227 CG MET A 77 -10.581 25.538 11.999 1.00 0.00 C ATOM 1228 SD MET A 77 -9.932 26.521 13.376 1.00 0.00 S ATOM 1229 CE MET A 77 -9.720 28.078 12.479 1.00 0.00 C ATOM 0 H MET A 77 -14.124 26.546 10.495 1.00 0.00 H new ATOM 0 HA MET A 77 -11.973 24.951 9.761 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.915 27.035 11.189 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.599 26.120 12.518 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.623 24.485 12.279 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.915 25.613 11.140 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.192 28.793 13.111 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.142 27.900 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.697 28.481 12.213 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.708 22.643 10.491 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.853 21.284 11.008 1.00 0.00 C ATOM 1241 C GLN A 78 -11.823 21.027 12.105 1.00 0.00 C ATOM 1242 O GLN A 78 -10.698 21.523 12.026 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.671 20.269 9.876 1.00 0.00 C ATOM 1244 CG GLN A 78 -14.040 19.897 9.300 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.882 19.298 7.905 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.781 18.911 7.513 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.924 19.202 7.126 1.00 0.00 N ATOM 0 H GLN A 78 -12.518 22.697 9.490 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.853 21.173 11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.038 20.689 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.167 19.378 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.536 19.182 9.956 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.675 20.781 9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.836 19.523 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.827 18.806 6.191 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.167 20.265 13.114 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.240 19.950 14.220 1.00 0.00 C ATOM 1258 C PRO A 79 -10.505 18.640 13.971 1.00 0.00 C ATOM 1259 O PRO A 79 -11.096 17.564 14.026 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.189 19.822 15.401 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.426 19.218 14.816 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.464 19.616 13.331 1.00 0.00 C ATOM 0 HA PRO A 79 -10.456 20.695 14.358 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.769 19.189 16.183 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.395 20.792 15.853 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.413 18.133 14.924 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.314 19.580 15.335 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.590 18.746 12.686 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.291 20.293 13.118 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.213 18.761 13.728 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.342 17.613 13.482 1.00 0.00 C ATOM 1272 C ARG A 80 -6.897 18.090 13.422 1.00 0.00 C ATOM 1273 O ARG A 80 -6.579 19.022 12.681 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.676 16.916 12.151 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.906 16.014 12.302 1.00 0.00 C ATOM 1276 CD ARG A 80 -9.894 14.949 11.204 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.123 14.161 11.254 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.116 12.842 11.064 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -9.998 12.214 10.812 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -12.235 12.173 11.124 1.00 0.00 N ATOM 0 H ARG A 80 -8.731 19.659 13.694 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.492 16.901 14.294 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.861 17.664 11.380 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.823 16.323 11.822 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.905 15.540 13.284 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.817 16.609 12.237 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.797 15.424 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.030 14.297 11.329 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.009 14.632 11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.122 12.734 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.002 11.204 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.111 12.660 11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.234 11.163 10.979 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.024 17.465 14.205 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.623 17.866 14.218 1.00 0.00 C ATOM 1296 C GLY A 81 -3.796 17.096 13.192 1.00 0.00 C ATOM 1297 O GLY A 81 -3.382 17.651 12.176 1.00 0.00 O ATOM 0 H GLY A 81 -6.256 16.692 14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.550 18.934 14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.209 17.703 15.213 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.542 15.822 13.480 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.736 14.979 12.597 1.00 0.00 C ATOM 1303 C GLU A 82 -3.331 14.841 11.194 1.00 0.00 C ATOM 1304 O GLU A 82 -2.610 14.943 10.201 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.578 13.588 13.220 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.641 12.733 12.355 1.00 0.00 C ATOM 1307 CD GLU A 82 -0.223 13.307 12.366 1.00 0.00 C ATOM 1308 OE1 GLU A 82 0.151 13.912 13.360 1.00 0.00 O ATOM 1309 OE2 GLU A 82 0.469 13.135 11.376 1.00 0.00 O ATOM 0 H GLU A 82 -3.882 15.350 14.318 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.767 15.467 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.177 13.675 14.230 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.551 13.105 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.627 11.709 12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.016 12.695 11.332 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.632 14.575 11.113 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.280 14.385 9.815 1.00 0.00 C ATOM 1318 C GLN A 83 -5.113 15.604 8.911 1.00 0.00 C ATOM 1319 O GLN A 83 -4.491 15.517 7.852 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.770 14.094 10.015 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.414 13.733 8.671 1.00 0.00 C ATOM 1322 CD GLN A 83 -6.829 12.427 8.140 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -6.460 11.547 8.918 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -6.723 12.248 6.851 1.00 0.00 N ATOM 0 H GLN A 83 -5.253 14.487 11.918 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.797 13.538 9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.898 13.274 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.266 14.965 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.493 13.634 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.245 14.534 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.029 12.978 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.334 11.378 6.487 1.00 0.00 H new ATOM 1333 N MET A 84 -5.676 16.733 9.328 1.00 0.00 N ATOM 1334 CA MET A 84 -5.584 17.955 8.537 1.00 0.00 C ATOM 1335 C MET A 84 -4.133 18.385 8.334 1.00 0.00 C ATOM 1336 O MET A 84 -3.780 18.885 7.265 1.00 0.00 O ATOM 1337 CB MET A 84 -6.384 19.074 9.199 1.00 0.00 C ATOM 1338 CG MET A 84 -7.885 18.803 9.017 1.00 0.00 C ATOM 1339 SD MET A 84 -8.840 20.129 9.799 1.00 0.00 S ATOM 1340 CE MET A 84 -8.472 21.429 8.595 1.00 0.00 C ATOM 0 H MET A 84 -6.196 16.828 10.200 1.00 0.00 H new ATOM 0 HA MET A 84 -6.007 17.749 7.554 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.140 19.133 10.260 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.120 20.035 8.758 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.128 18.743 7.956 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.148 17.842 9.459 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.388 21.965 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.749 22.125 9.020 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.057 20.982 7.692 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.290 18.190 9.351 1.00 0.00 N ATOM 1351 CA ARG A 85 -1.885 18.570 9.224 1.00 0.00 C ATOM 1352 C ARG A 85 -1.291 17.905 7.990 1.00 0.00 C ATOM 1353 O ARG A 85 -0.698 18.568 7.138 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.097 18.146 10.469 1.00 0.00 C ATOM 1355 CG ARG A 85 0.348 18.643 10.357 1.00 0.00 C ATOM 1356 CD ARG A 85 1.138 18.216 11.596 1.00 0.00 C ATOM 1357 NE ARG A 85 1.397 16.779 11.561 1.00 0.00 N ATOM 1358 CZ ARG A 85 2.352 16.228 12.307 1.00 0.00 C ATOM 1359 NH1 ARG A 85 3.070 16.969 13.108 1.00 0.00 N ATOM 1360 NH2 ARG A 85 2.570 14.944 12.241 1.00 0.00 N ATOM 0 H ARG A 85 -3.548 17.782 10.249 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.821 19.654 9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.565 18.555 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.112 17.061 10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.814 18.237 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.363 19.729 10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.081 18.761 11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.580 18.470 12.497 1.00 0.00 H new ATOM 0 HE ARG A 85 0.834 16.185 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.900 17.973 13.163 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.801 16.543 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.009 14.363 11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.302 14.521 12.812 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.489 16.593 7.887 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.005 15.844 6.735 1.00 0.00 C ATOM 1376 C ARG A 86 -1.666 16.372 5.467 1.00 0.00 C ATOM 1377 O ARG A 86 -1.031 16.485 4.418 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.326 14.356 6.902 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.506 13.777 8.059 1.00 0.00 C ATOM 1380 CD ARG A 86 -0.883 12.308 8.273 1.00 0.00 C ATOM 1381 NE ARG A 86 -0.492 11.507 7.114 1.00 0.00 N ATOM 1382 CZ ARG A 86 -1.375 11.147 6.180 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -2.626 11.515 6.273 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -0.987 10.425 5.165 1.00 0.00 N ATOM 0 H ARG A 86 -1.978 16.031 8.584 1.00 0.00 H new ATOM 0 HA ARG A 86 0.075 15.967 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.390 14.223 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.101 13.820 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.559 13.861 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.691 14.347 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.392 11.927 9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.957 12.222 8.437 1.00 0.00 H new ATOM 0 HE ARG A 86 0.481 11.216 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.934 12.081 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.294 11.236 5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.012 10.137 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.659 10.148 4.449 1.00 0.00 H new ATOM 1398 N MET A 87 -2.957 16.691 5.585 1.00 0.00 N ATOM 1399 CA MET A 87 -3.725 17.208 4.458 1.00 0.00 C ATOM 1400 C MET A 87 -3.076 18.457 3.871 1.00 0.00 C ATOM 1401 O MET A 87 -3.260 18.757 2.695 1.00 0.00 O ATOM 1402 CB MET A 87 -5.156 17.537 4.881 1.00 0.00 C ATOM 1403 CG MET A 87 -6.018 17.753 3.628 1.00 0.00 C ATOM 1404 SD MET A 87 -6.731 19.421 3.646 1.00 0.00 S ATOM 1405 CE MET A 87 -7.467 19.376 5.301 1.00 0.00 C ATOM 0 H MET A 87 -3.489 16.599 6.450 1.00 0.00 H new ATOM 0 HA MET A 87 -3.743 16.429 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.565 16.726 5.483 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.167 18.432 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.412 17.617 2.732 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.814 17.009 3.591 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.547 19.259 5.216 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.054 18.536 5.860 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.243 20.306 5.824 1.00 0.00 H new ATOM 1415 N MET A 88 -2.331 19.197 4.691 1.00 0.00 N ATOM 1416 CA MET A 88 -1.686 20.413 4.204 1.00 0.00 C ATOM 1417 C MET A 88 -1.043 20.143 2.846 1.00 0.00 C ATOM 1418 O MET A 88 -1.361 20.802 1.855 1.00 0.00 O ATOM 1419 CB MET A 88 -0.614 20.868 5.199 1.00 0.00 C ATOM 1420 CG MET A 88 -0.044 22.224 4.771 1.00 0.00 C ATOM 1421 SD MET A 88 1.765 22.138 4.728 1.00 0.00 S ATOM 1422 CE MET A 88 2.013 21.463 6.390 1.00 0.00 C ATOM 0 H MET A 88 -2.162 18.982 5.674 1.00 0.00 H new ATOM 0 HA MET A 88 -2.435 21.198 4.101 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.042 20.943 6.198 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.185 20.128 5.249 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.428 22.497 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.365 23.000 5.466 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.978 21.791 6.776 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.220 21.817 7.048 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.991 20.374 6.347 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.164 19.145 2.805 1.00 0.00 N ATOM 1433 CA ARG A 89 0.491 18.761 1.559 1.00 0.00 C ATOM 1434 C ARG A 89 -0.559 18.323 0.538 1.00 0.00 C ATOM 1435 O ARG A 89 -0.474 18.649 -0.647 1.00 0.00 O ATOM 1436 CB ARG A 89 1.463 17.609 1.825 1.00 0.00 C ATOM 1437 CG ARG A 89 2.541 18.067 2.813 1.00 0.00 C ATOM 1438 CD ARG A 89 3.551 16.936 3.032 1.00 0.00 C ATOM 1439 NE ARG A 89 2.868 15.730 3.497 1.00 0.00 N ATOM 1440 CZ ARG A 89 2.350 15.652 4.723 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.457 16.657 5.549 1.00 0.00 N ATOM 1442 NH2 ARG A 89 1.734 14.564 5.099 1.00 0.00 N ATOM 0 H ARG A 89 0.110 18.590 3.616 1.00 0.00 H new ATOM 0 HA ARG A 89 1.042 19.614 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.925 16.751 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.924 17.285 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.048 18.952 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.083 18.348 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.081 16.727 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.299 17.243 3.763 1.00 0.00 H new ATOM 0 HE ARG A 89 2.786 14.930 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.939 17.508 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.059 16.592 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.650 13.777 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.337 14.501 6.036 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.550 17.580 1.030 1.00 0.00 N ATOM 1457 CA LEU A 90 -2.641 17.076 0.201 1.00 0.00 C ATOM 1458 C LEU A 90 -3.402 18.215 -0.472 1.00 0.00 C ATOM 1459 O LEU A 90 -3.771 18.119 -1.643 1.00 0.00 O ATOM 1460 CB LEU A 90 -3.590 16.268 1.091 1.00 0.00 C ATOM 1461 CG LEU A 90 -4.836 15.842 0.316 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -4.447 14.856 -0.774 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -5.816 15.168 1.278 1.00 0.00 C ATOM 0 H LEU A 90 -1.618 17.312 2.012 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.228 16.448 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.075 15.386 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.881 16.865 1.955 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.301 16.717 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.337 14.553 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.740 15.328 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.984 13.978 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.708 14.861 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.344 14.292 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.095 15.870 2.064 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.641 19.287 0.277 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.367 20.433 -0.255 1.00 0.00 C ATOM 1477 C ALA A 91 -3.686 20.961 -1.511 1.00 0.00 C ATOM 1478 O ALA A 91 -4.339 21.192 -2.524 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.440 21.537 0.800 1.00 0.00 C ATOM 0 H ALA A 91 -3.344 19.385 1.248 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.377 20.115 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.984 22.391 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.957 21.162 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.431 21.846 1.074 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.369 21.139 -1.433 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.590 21.630 -2.570 1.00 0.00 C ATOM 1487 C GLU A 92 -1.723 20.694 -3.771 1.00 0.00 C ATOM 1488 O GLU A 92 -1.610 21.124 -4.918 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.115 21.754 -2.175 1.00 0.00 C ATOM 1490 CG GLU A 92 0.656 22.497 -3.274 1.00 0.00 C ATOM 1491 CD GLU A 92 1.350 21.502 -4.204 1.00 0.00 C ATOM 1492 OE1 GLU A 92 2.110 20.685 -3.709 1.00 0.00 O ATOM 1493 OE2 GLU A 92 1.114 21.576 -5.399 1.00 0.00 O ATOM 0 H GLU A 92 -1.818 20.951 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.978 22.609 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.026 22.289 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.315 20.764 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.028 23.124 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.395 23.160 -2.824 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.946 19.411 -3.499 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.076 18.422 -4.565 1.00 0.00 C ATOM 1502 C ASN A 93 -3.364 18.628 -5.362 1.00 0.00 C ATOM 1503 O ASN A 93 -3.393 18.396 -6.570 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.067 17.010 -3.973 1.00 0.00 C ATOM 1505 CG ASN A 93 -1.884 15.980 -5.084 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -0.809 15.890 -5.678 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -2.877 15.196 -5.405 1.00 0.00 N ATOM 0 H ASN A 93 -2.040 19.034 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.229 18.547 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.262 16.918 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.001 16.823 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.763 14.507 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.767 15.272 -4.912 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.428 19.050 -4.681 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.715 19.267 -5.344 1.00 0.00 C ATOM 1516 C ILE A 94 -5.569 20.183 -6.567 1.00 0.00 C ATOM 1517 O ILE A 94 -5.956 19.805 -7.669 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.728 19.856 -4.353 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.037 18.814 -3.270 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.020 20.224 -5.091 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -7.817 19.469 -2.126 1.00 0.00 C ATOM 0 H ILE A 94 -4.427 19.247 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.080 18.301 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.310 20.752 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.617 17.995 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.110 18.384 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.737 20.642 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.800 20.961 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.443 19.331 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.034 18.724 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.221 20.272 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.752 19.877 -2.510 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.025 21.366 -6.403 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.835 22.328 -7.532 1.00 0.00 C ATOM 1535 C PRO A 95 -3.822 21.831 -8.564 1.00 0.00 C ATOM 1536 O PRO A 95 -3.856 22.245 -9.721 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.330 23.604 -6.850 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.746 23.160 -5.556 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.531 21.922 -5.135 1.00 0.00 C ATOM 0 HA PRO A 95 -5.758 22.473 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.584 24.108 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.143 24.312 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.686 22.930 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.825 23.945 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.898 21.209 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.352 22.178 -4.465 1.00 0.00 H new ATOM 1547 N SER A 96 -2.936 20.930 -8.137 1.00 0.00 N ATOM 1548 CA SER A 96 -1.928 20.367 -9.032 1.00 0.00 C ATOM 1549 C SER A 96 -2.636 19.666 -10.162 1.00 0.00 C ATOM 1550 O SER A 96 -2.179 19.633 -11.306 1.00 0.00 O ATOM 1551 CB SER A 96 -1.036 19.375 -8.283 1.00 0.00 C ATOM 1552 OG SER A 96 -0.521 19.998 -7.114 1.00 0.00 O ATOM 0 H SER A 96 -2.897 20.577 -7.181 1.00 0.00 H new ATOM 0 HA SER A 96 -1.295 21.166 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.607 18.486 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.218 19.047 -8.925 1.00 0.00 H new ATOM 0 HG SER A 96 -1.257 20.197 -6.498 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.769 19.109 -9.791 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.621 18.382 -10.697 1.00 0.00 C ATOM 1560 C ARG A 97 -4.974 19.223 -11.922 1.00 0.00 C ATOM 1561 O ARG A 97 -4.991 18.718 -13.045 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.893 18.021 -9.939 1.00 0.00 C ATOM 1563 CG ARG A 97 -5.555 17.154 -8.719 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.139 15.752 -9.171 1.00 0.00 C ATOM 1565 NE ARG A 97 -4.913 14.894 -8.010 1.00 0.00 N ATOM 1566 CZ ARG A 97 -5.925 14.435 -7.275 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -7.157 14.742 -7.585 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -5.686 13.675 -6.242 1.00 0.00 N ATOM 0 H ARG A 97 -4.126 19.151 -8.836 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.104 17.490 -11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.404 18.929 -9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.577 17.485 -10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.749 17.615 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.419 17.090 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.914 15.322 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.231 15.810 -9.772 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.958 14.641 -7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.347 15.335 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.929 14.388 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.726 13.433 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.460 13.323 -5.678 1.00 0.00 H new ATOM 1582 N CYS A 98 -5.249 20.508 -11.698 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.592 21.410 -12.786 1.00 0.00 C ATOM 1584 C CYS A 98 -4.419 22.294 -13.125 1.00 0.00 C ATOM 1585 O CYS A 98 -4.451 23.010 -14.126 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.766 22.306 -12.402 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.700 21.544 -11.053 1.00 0.00 S ATOM 0 H CYS A 98 -5.240 20.942 -10.775 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.863 20.796 -13.645 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.402 23.287 -12.096 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.415 22.461 -13.264 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.402 22.287 -12.268 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.272 23.152 -12.506 1.00 0.00 C ATOM 1594 C ASN A 99 -1.694 22.932 -13.869 1.00 0.00 C ATOM 1595 O ASN A 99 -1.843 21.879 -14.491 1.00 0.00 O ATOM 1596 CB ASN A 99 -1.180 23.032 -11.471 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.561 23.841 -10.237 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -1.321 23.416 -9.107 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -2.144 24.999 -10.396 1.00 0.00 N ATOM 0 H ASN A 99 -3.344 21.708 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.672 24.163 -12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.032 21.986 -11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.236 23.393 -11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.403 25.556 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.341 25.346 -11.335 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.123 24.004 -14.344 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.593 24.063 -15.678 1.00 0.00 C ATOM 1608 C LEU A 100 0.566 25.052 -15.737 1.00 0.00 C ATOM 1609 O LEU A 100 0.488 26.129 -15.150 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.747 24.531 -16.571 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.870 25.118 -15.672 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.546 26.569 -15.320 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.209 25.039 -16.388 1.00 0.00 C ATOM 0 H LEU A 100 -1.012 24.867 -13.813 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.210 23.096 -16.003 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.396 25.284 -17.277 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.131 23.697 -17.159 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.931 24.535 -14.753 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.337 26.976 -14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.597 26.610 -14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.472 27.158 -16.235 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.989 25.453 -15.749 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.160 25.609 -17.316 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.440 23.998 -16.614 1.00 0.00 H new ATOM 1625 N SER A 101 1.635 24.673 -16.440 1.00 0.00 N ATOM 1626 CA SER A 101 2.820 25.524 -16.570 1.00 0.00 C ATOM 1627 C SER A 101 2.424 26.997 -16.652 1.00 0.00 C ATOM 1628 O SER A 101 2.080 27.501 -17.722 1.00 0.00 O ATOM 1629 CB SER A 101 3.602 25.132 -17.826 1.00 0.00 C ATOM 1630 OG SER A 101 2.710 25.050 -18.930 1.00 0.00 O ATOM 0 H SER A 101 1.705 23.781 -16.929 1.00 0.00 H new ATOM 0 HA SER A 101 3.445 25.381 -15.689 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.381 25.867 -18.027 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.100 24.174 -17.674 1.00 0.00 H new ATOM 0 HG SER A 101 2.133 25.842 -18.944 1.00 0.00 H new ATOM 1636 N PRO A 102 2.459 27.687 -15.539 1.00 0.00 N ATOM 1637 CA PRO A 102 2.094 29.124 -15.453 1.00 0.00 C ATOM 1638 C PRO A 102 3.269 30.031 -15.807 1.00 0.00 C ATOM 1639 O PRO A 102 4.415 29.731 -15.472 1.00 0.00 O ATOM 1640 CB PRO A 102 1.676 29.301 -13.980 1.00 0.00 C ATOM 1641 CG PRO A 102 1.920 27.977 -13.306 1.00 0.00 C ATOM 1642 CD PRO A 102 2.842 27.185 -14.222 1.00 0.00 C ATOM 0 HA PRO A 102 1.307 29.397 -16.156 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.256 30.092 -13.504 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.627 29.587 -13.906 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.376 28.119 -12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.982 27.445 -13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.894 27.371 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.683 26.110 -14.132 1.00 0.00 H new ATOM 1650 N MET A 103 2.980 31.135 -16.488 1.00 0.00 N ATOM 1651 CA MET A 103 4.029 32.069 -16.879 1.00 0.00 C ATOM 1652 C MET A 103 4.498 32.894 -15.682 1.00 0.00 C ATOM 1653 O MET A 103 5.678 32.873 -15.332 1.00 0.00 O ATOM 1654 CB MET A 103 3.510 33.003 -17.978 1.00 0.00 C ATOM 1655 CG MET A 103 4.656 33.877 -18.497 1.00 0.00 C ATOM 1656 SD MET A 103 4.013 35.058 -19.709 1.00 0.00 S ATOM 1657 CE MET A 103 5.591 35.837 -20.129 1.00 0.00 C ATOM 0 H MET A 103 2.039 31.403 -16.778 1.00 0.00 H new ATOM 0 HA MET A 103 4.876 31.495 -17.256 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.087 32.419 -18.795 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.709 33.631 -17.587 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.126 34.408 -17.669 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.425 33.254 -18.953 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.426 36.613 -20.877 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.027 36.282 -19.234 1.00 0.00 H new ATOM 0 HE3 MET A 103 6.272 35.086 -20.530 1.00 0.00 H new ATOM 1667 N ARG A 104 3.566 33.619 -15.060 1.00 0.00 N ATOM 1668 CA ARG A 104 3.898 34.454 -13.904 1.00 0.00 C ATOM 1669 C ARG A 104 2.719 34.580 -12.942 1.00 0.00 C ATOM 1670 O ARG A 104 1.560 34.597 -13.360 1.00 0.00 O ATOM 1671 CB ARG A 104 4.305 35.858 -14.371 1.00 0.00 C ATOM 1672 CG ARG A 104 5.751 35.858 -14.884 1.00 0.00 C ATOM 1673 CD ARG A 104 6.712 35.614 -13.717 1.00 0.00 C ATOM 1674 NE ARG A 104 6.424 36.546 -12.628 1.00 0.00 N ATOM 1675 CZ ARG A 104 6.542 36.187 -11.351 1.00 0.00 C ATOM 1676 NH1 ARG A 104 6.964 34.991 -11.036 1.00 0.00 N ATOM 1677 NH2 ARG A 104 6.242 37.037 -10.408 1.00 0.00 N ATOM 0 H ARG A 104 2.584 33.645 -15.334 1.00 0.00 H new ATOM 0 HA ARG A 104 4.725 33.973 -13.381 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.633 36.193 -15.161 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.206 36.564 -13.547 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.879 35.084 -15.641 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.978 36.811 -15.361 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.614 34.588 -13.363 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.742 35.739 -14.051 1.00 0.00 H new ATOM 0 HE ARG A 104 6.125 37.495 -12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.205 34.326 -11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.052 34.723 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.918 37.974 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.331 36.765 -9.429 1.00 0.00 H new ATOM 1691 N CYS A 105 3.036 34.704 -11.652 1.00 0.00 N ATOM 1692 CA CYS A 105 2.016 34.875 -10.619 1.00 0.00 C ATOM 1693 C CYS A 105 2.200 36.242 -9.951 1.00 0.00 C ATOM 1694 O CYS A 105 3.042 36.398 -9.065 1.00 0.00 O ATOM 1695 CB CYS A 105 2.126 33.764 -9.567 1.00 0.00 C ATOM 1696 SG CYS A 105 1.380 32.240 -10.205 1.00 0.00 S ATOM 0 H CYS A 105 3.993 34.689 -11.299 1.00 0.00 H new ATOM 0 HA CYS A 105 1.030 34.819 -11.079 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.172 33.590 -9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.624 34.069 -8.649 1.00 0.00 H new ATOM 1701 N PRO A 106 1.445 37.230 -10.373 1.00 0.00 N ATOM 1702 CA PRO A 106 1.530 38.623 -9.824 1.00 0.00 C ATOM 1703 C PRO A 106 1.233 38.709 -8.334 1.00 0.00 C ATOM 1704 O PRO A 106 1.145 39.801 -7.773 1.00 0.00 O ATOM 1705 CB PRO A 106 0.495 39.418 -10.625 1.00 0.00 C ATOM 1706 CG PRO A 106 0.179 38.587 -11.824 1.00 0.00 C ATOM 1707 CD PRO A 106 0.426 37.133 -11.427 1.00 0.00 C ATOM 0 HA PRO A 106 2.545 39.009 -9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.400 39.603 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.891 40.391 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.856 38.733 -12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.808 38.870 -12.668 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.484 36.657 -11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.778 36.541 -12.272 1.00 0.00 H new ATOM 1715 N MET A 107 1.078 37.561 -7.704 1.00 0.00 N ATOM 1716 CA MET A 107 0.787 37.515 -6.285 1.00 0.00 C ATOM 1717 C MET A 107 2.042 37.799 -5.480 1.00 0.00 C ATOM 1718 O MET A 107 2.769 36.884 -5.088 1.00 0.00 O ATOM 1719 CB MET A 107 0.293 36.131 -5.940 1.00 0.00 C ATOM 1720 CG MET A 107 -1.098 35.912 -6.541 1.00 0.00 C ATOM 1721 SD MET A 107 -0.992 35.921 -8.349 1.00 0.00 S ATOM 1722 CE MET A 107 -2.059 37.354 -8.639 1.00 0.00 C ATOM 0 H MET A 107 1.149 36.648 -8.153 1.00 0.00 H new ATOM 0 HA MET A 107 0.033 38.266 -6.048 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.986 35.382 -6.322 1.00 0.00 H new ATOM 0 HB3 MET A 107 0.255 36.008 -4.858 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.508 34.963 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.778 36.694 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 107 -1.813 37.802 -9.602 1.00 0.00 H new ATOM 0 HE2 MET A 107 -3.102 37.037 -8.642 1.00 0.00 H new ATOM 0 HE3 MET A 107 -1.906 38.088 -7.848 1.00 0.00 H new ATOM 1732 N GLY A 108 2.283 39.072 -5.238 1.00 0.00 N ATOM 1733 CA GLY A 108 3.445 39.488 -4.477 1.00 0.00 C ATOM 1734 C GLY A 108 4.716 39.391 -5.313 1.00 0.00 C ATOM 1735 O GLY A 108 5.808 39.206 -4.773 1.00 0.00 O ATOM 0 H GLY A 108 1.689 39.837 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.310 40.514 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.543 38.865 -3.588 1.00 0.00 H new ATOM 1739 N GLY A 109 4.566 39.521 -6.631 1.00 0.00 N ATOM 1740 CA GLY A 109 5.709 39.450 -7.538 1.00 0.00 C ATOM 1741 C GLY A 109 6.610 38.269 -7.189 1.00 0.00 C ATOM 1742 O GLY A 109 7.747 38.453 -6.752 1.00 0.00 O ATOM 0 H GLY A 109 3.669 39.675 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.357 39.353 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.280 40.377 -7.483 1.00 0.00 H new ATOM 1746 N SER A 110 6.088 37.059 -7.378 1.00 0.00 N ATOM 1747 CA SER A 110 6.847 35.849 -7.073 1.00 0.00 C ATOM 1748 C SER A 110 8.198 35.858 -7.784 1.00 0.00 C ATOM 1749 O SER A 110 8.337 36.421 -8.870 1.00 0.00 O ATOM 1750 CB SER A 110 6.051 34.617 -7.506 1.00 0.00 C ATOM 1751 OG SER A 110 4.777 34.635 -6.876 1.00 0.00 O ATOM 0 H SER A 110 5.149 36.891 -7.739 1.00 0.00 H new ATOM 0 HA SER A 110 7.021 35.817 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.933 34.608 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.590 33.709 -7.237 1.00 0.00 H new ATOM 0 HG SER A 110 4.149 35.153 -7.422 1.00 0.00 H new ATOM 1757 N ILE A 111 9.190 35.227 -7.160 1.00 0.00 N ATOM 1758 CA ILE A 111 10.532 35.158 -7.736 1.00 0.00 C ATOM 1759 C ILE A 111 10.926 33.704 -7.965 1.00 0.00 C ATOM 1760 O ILE A 111 11.367 33.333 -9.053 1.00 0.00 O ATOM 1761 CB ILE A 111 11.541 35.830 -6.798 1.00 0.00 C ATOM 1762 CG1 ILE A 111 11.141 37.296 -6.584 1.00 0.00 C ATOM 1763 CG2 ILE A 111 12.941 35.768 -7.420 1.00 0.00 C ATOM 1764 CD1 ILE A 111 12.047 37.931 -5.526 1.00 0.00 C ATOM 0 H ILE A 111 9.092 34.758 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 111 10.533 35.682 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 111 11.547 35.310 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.221 37.845 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 111 10.100 37.356 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 111 13.657 36.246 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 111 13.226 34.727 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.937 36.287 -8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 111 11.759 38.972 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 111 11.944 37.389 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.084 37.885 -5.860 1.00 0.00 H new ATOM 1776 N ALA A 112 10.724 32.881 -6.939 1.00 0.00 N ATOM 1777 CA ALA A 112 11.012 31.463 -7.029 1.00 0.00 C ATOM 1778 C ALA A 112 10.017 30.843 -7.968 1.00 0.00 C ATOM 1779 O ALA A 112 9.284 31.559 -8.655 1.00 0.00 O ATOM 1780 CB ALA A 112 10.882 30.809 -5.656 1.00 0.00 C ATOM 0 H ALA A 112 10.360 33.179 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 112 12.030 31.316 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.101 29.744 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 112 11.586 31.272 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.866 30.943 -5.284 1.00 0.00 H new ATOM 1786 N GLY A 113 9.931 29.527 -7.978 1.00 0.00 N ATOM 1787 CA GLY A 113 8.943 28.928 -8.827 1.00 0.00 C ATOM 1788 C GLY A 113 7.594 29.102 -8.156 1.00 0.00 C ATOM 1789 O GLY A 113 7.205 28.320 -7.288 1.00 0.00 O ATOM 0 H GLY A 113 10.507 28.885 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.946 29.400 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.161 27.871 -8.981 1.00 0.00 H new ATOM 1793 N PHE A 114 6.905 30.161 -8.562 1.00 0.00 N ATOM 1794 CA PHE A 114 5.598 30.500 -8.004 1.00 0.00 C ATOM 1795 C PHE A 114 4.741 29.250 -7.799 1.00 0.00 C ATOM 1796 O PHE A 114 4.176 29.114 -6.726 1.00 0.00 O ATOM 1797 CB PHE A 114 4.865 31.485 -8.926 1.00 0.00 C ATOM 1798 CG PHE A 114 5.251 31.231 -10.366 1.00 0.00 C ATOM 1799 CD1 PHE A 114 6.355 31.892 -10.920 1.00 0.00 C ATOM 1800 CD2 PHE A 114 4.508 30.338 -11.147 1.00 0.00 C ATOM 1801 CE1 PHE A 114 6.716 31.659 -12.252 1.00 0.00 C ATOM 1802 CE2 PHE A 114 4.869 30.105 -12.479 1.00 0.00 C ATOM 1803 CZ PHE A 114 5.973 30.766 -13.031 1.00 0.00 C ATOM 1804 OXT PHE A 114 4.661 28.450 -8.717 1.00 0.00 O ATOM 0 H PHE A 114 7.231 30.806 -9.282 1.00 0.00 H new ATOM 0 HA PHE A 114 5.762 30.967 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 114 3.787 31.376 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.115 32.509 -8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.928 32.582 -10.319 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.656 29.829 -10.722 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.568 32.168 -12.678 1.00 0.00 H new ATOM 0 HE2 PHE A 114 4.296 29.415 -13.081 1.00 0.00 H new ATOM 0 HZ PHE A 114 6.251 30.586 -14.059 1.00 0.00 H new TER 1814 PHE A 114