USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 746 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 19 ASN :FLIP amide:sc= -0.917 F(o=-4.3!,f=-1.2) USER MOD Set 1.2: A 37 GLN : amide:sc= -0.313 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 GLN : amide:sc= -0.304 X(o=-0.78,f=-0.78) USER MOD Set 2.3: A 36 LYS NZ :NH3+ -111:sc= -0.26 (180deg=0) USER MOD Set 2.4: A 49 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= 0.176 (180deg=0.105) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.79! C(o=-3.1!,f=-1.8!) USER MOD Single : A 25 MET CE :methyl -134:sc= -6.1! (180deg=-12.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.046 X(o=-0.046,f=0.0044) USER MOD Single : A 30 ASN : amide:sc= -0.838 X(o=-0.84,f=-0.52) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0712 (180deg=-0.799) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -43:sc= 1.12 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0254) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.49 K(o=-2.5,f=-5.2!) USER MOD Single : A 72 ASN : amide:sc= 0.0415 K(o=0.041,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot -135:sc= -1.49 USER MOD Single : A 82 THR OG1 : rot -160:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0784) USER MOD Single : A 84 GLN : amide:sc= -0.0889 K(o=-0.089,f=-3!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.109 F(o=-1.3,f=-0.11) USER MOD Single : A 88 THR OG1 : rot 43:sc= 1.22 USER MOD Single : A 91 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.873 -0.365 -0.504 1.00 1.51 N ATOM 2 CA MET A 1 1.961 -0.316 -1.474 1.00 11.21 C ATOM 3 C MET A 1 2.668 -1.664 -1.566 1.00 22.13 C ATOM 4 O MET A 1 3.001 -2.273 -0.549 1.00 31.03 O ATOM 5 CB MET A 1 2.964 0.775 -1.093 1.00 21.42 C ATOM 6 CG MET A 1 3.743 1.324 -2.277 1.00 1.33 C ATOM 7 SD MET A 1 5.302 0.459 -2.544 1.00 44.20 S ATOM 8 CE MET A 1 6.341 1.802 -3.117 1.00 34.35 C ATOM 0 H1 MET A 1 0.406 0.563 -0.458 1.00 1.51 H new ATOM 0 H2 MET A 1 0.182 -1.086 -0.794 1.00 1.51 H new ATOM 0 H3 MET A 1 1.254 -0.607 0.433 1.00 1.51 H new ATOM 0 HA MET A 1 1.535 -0.082 -2.450 1.00 11.21 H new ATOM 0 HB2 MET A 1 2.432 1.593 -0.608 1.00 21.42 H new ATOM 0 HB3 MET A 1 3.665 0.373 -0.362 1.00 21.42 H new ATOM 0 HG2 MET A 1 3.131 1.248 -3.176 1.00 1.33 H new ATOM 0 HG3 MET A 1 3.943 2.383 -2.116 1.00 1.33 H new ATOM 0 HE1 MET A 1 7.342 1.424 -3.325 1.00 34.35 H new ATOM 0 HE2 MET A 1 5.917 2.227 -4.027 1.00 34.35 H new ATOM 0 HE3 MET A 1 6.397 2.573 -2.348 1.00 34.35 H new ATOM 18 N LYS A 2 2.895 -2.126 -2.791 1.00 2.12 N ATOM 19 CA LYS A 2 3.564 -3.402 -3.016 1.00 51.23 C ATOM 20 C LYS A 2 4.634 -3.272 -4.095 1.00 42.14 C ATOM 21 O LYS A 2 4.392 -3.579 -5.262 1.00 74.21 O ATOM 22 CB LYS A 2 2.545 -4.471 -3.419 1.00 44.54 C ATOM 23 CG LYS A 2 1.529 -4.782 -2.335 1.00 13.34 C ATOM 24 CD LYS A 2 2.197 -5.326 -1.084 1.00 22.55 C ATOM 25 CE LYS A 2 2.939 -6.624 -1.368 1.00 13.33 C ATOM 26 NZ LYS A 2 2.780 -7.607 -0.261 1.00 30.22 N ATOM 0 H LYS A 2 2.625 -1.635 -3.644 1.00 2.12 H new ATOM 0 HA LYS A 2 4.046 -3.701 -2.085 1.00 51.23 H new ATOM 0 HB2 LYS A 2 2.019 -4.140 -4.314 1.00 44.54 H new ATOM 0 HB3 LYS A 2 3.076 -5.386 -3.681 1.00 44.54 H new ATOM 0 HG2 LYS A 2 0.972 -3.878 -2.087 1.00 13.34 H new ATOM 0 HG3 LYS A 2 0.808 -5.509 -2.709 1.00 13.34 H new ATOM 0 HD2 LYS A 2 2.894 -4.586 -0.691 1.00 22.55 H new ATOM 0 HD3 LYS A 2 1.445 -5.496 -0.313 1.00 22.55 H new ATOM 0 HE2 LYS A 2 2.568 -7.059 -2.296 1.00 13.33 H new ATOM 0 HE3 LYS A 2 3.998 -6.412 -1.516 1.00 13.33 H new ATOM 0 HZ1 LYS A 2 3.530 -8.325 -0.324 1.00 30.22 H new ATOM 0 HZ2 LYS A 2 2.847 -7.115 0.653 1.00 30.22 H new ATOM 0 HZ3 LYS A 2 1.851 -8.069 -0.338 1.00 30.22 H new ATOM 40 N GLN A 3 5.817 -2.816 -3.697 1.00 25.41 N ATOM 41 CA GLN A 3 6.924 -2.647 -4.631 1.00 23.30 C ATOM 42 C GLN A 3 7.446 -3.999 -5.107 1.00 4.12 C ATOM 43 O GLN A 3 8.225 -4.654 -4.414 1.00 62.11 O ATOM 44 CB GLN A 3 8.055 -1.852 -3.976 1.00 22.30 C ATOM 45 CG GLN A 3 9.166 -1.468 -4.940 1.00 1.22 C ATOM 46 CD GLN A 3 10.160 -0.500 -4.329 1.00 12.33 C ATOM 47 OE1 GLN A 3 9.777 0.473 -3.678 1.00 34.22 O ATOM 48 NE2 GLN A 3 11.445 -0.761 -4.535 1.00 62.14 N ATOM 0 H GLN A 3 6.034 -2.557 -2.735 1.00 25.41 H new ATOM 0 HA GLN A 3 6.555 -2.095 -5.496 1.00 23.30 H new ATOM 0 HB2 GLN A 3 7.642 -0.947 -3.532 1.00 22.30 H new ATOM 0 HB3 GLN A 3 8.478 -2.441 -3.163 1.00 22.30 H new ATOM 0 HG2 GLN A 3 9.691 -2.368 -5.260 1.00 1.22 H new ATOM 0 HG3 GLN A 3 8.729 -1.019 -5.832 1.00 1.22 H new ATOM 0 HE21 GLN A 3 11.718 -1.578 -5.081 1.00 62.14 H new ATOM 0 HE22 GLN A 3 12.159 -0.144 -4.148 1.00 62.14 H new ATOM 57 N VAL A 4 7.012 -4.411 -6.294 1.00 21.24 N ATOM 58 CA VAL A 4 7.436 -5.685 -6.863 1.00 2.23 C ATOM 59 C VAL A 4 8.386 -5.473 -8.037 1.00 33.25 C ATOM 60 O VAL A 4 8.002 -4.920 -9.068 1.00 0.52 O ATOM 61 CB VAL A 4 6.230 -6.517 -7.336 1.00 30.50 C ATOM 62 CG1 VAL A 4 6.684 -7.882 -7.831 1.00 22.35 C ATOM 63 CG2 VAL A 4 5.209 -6.659 -6.217 1.00 61.31 C ATOM 0 H VAL A 4 6.367 -3.881 -6.880 1.00 21.24 H new ATOM 0 HA VAL A 4 7.955 -6.228 -6.073 1.00 2.23 H new ATOM 0 HB VAL A 4 5.754 -5.996 -8.167 1.00 30.50 H new ATOM 0 HG11 VAL A 4 5.818 -8.456 -8.161 1.00 22.35 H new ATOM 0 HG12 VAL A 4 7.375 -7.755 -8.665 1.00 22.35 H new ATOM 0 HG13 VAL A 4 7.185 -8.414 -7.022 1.00 22.35 H new ATOM 0 HG21 VAL A 4 4.363 -7.250 -6.569 1.00 61.31 H new ATOM 0 HG22 VAL A 4 5.670 -7.158 -5.365 1.00 61.31 H new ATOM 0 HG23 VAL A 4 4.861 -5.671 -5.915 1.00 61.31 H new ATOM 73 N LEU A 5 9.627 -5.918 -7.874 1.00 11.34 N ATOM 74 CA LEU A 5 10.633 -5.778 -8.921 1.00 2.04 C ATOM 75 C LEU A 5 10.402 -6.791 -10.037 1.00 30.42 C ATOM 76 O LEU A 5 9.537 -7.661 -9.931 1.00 51.10 O ATOM 77 CB LEU A 5 12.035 -5.958 -8.335 1.00 50.22 C ATOM 78 CG LEU A 5 12.662 -4.715 -7.702 1.00 23.51 C ATOM 79 CD1 LEU A 5 11.779 -4.182 -6.585 1.00 11.21 C ATOM 80 CD2 LEU A 5 14.056 -5.030 -7.178 1.00 10.10 C ATOM 0 H LEU A 5 9.961 -6.379 -7.027 1.00 11.34 H new ATOM 0 HA LEU A 5 10.547 -4.776 -9.342 1.00 2.04 H new ATOM 0 HB2 LEU A 5 11.994 -6.744 -7.581 1.00 50.22 H new ATOM 0 HB3 LEU A 5 12.696 -6.311 -9.127 1.00 50.22 H new ATOM 0 HG LEU A 5 12.748 -3.944 -8.468 1.00 23.51 H new ATOM 0 HD11 LEU A 5 12.241 -3.298 -6.146 1.00 11.21 H new ATOM 0 HD12 LEU A 5 10.801 -3.918 -6.988 1.00 11.21 H new ATOM 0 HD13 LEU A 5 11.660 -4.948 -5.818 1.00 11.21 H new ATOM 0 HD21 LEU A 5 14.488 -4.135 -6.731 1.00 10.10 H new ATOM 0 HD22 LEU A 5 13.993 -5.817 -6.426 1.00 10.10 H new ATOM 0 HD23 LEU A 5 14.687 -5.365 -8.001 1.00 10.10 H new ATOM 92 N VAL A 6 11.183 -6.675 -11.106 1.00 51.33 N ATOM 93 CA VAL A 6 11.066 -7.583 -12.241 1.00 52.51 C ATOM 94 C VAL A 6 12.406 -7.757 -12.946 1.00 43.52 C ATOM 95 O VAL A 6 12.810 -6.916 -13.750 1.00 22.54 O ATOM 96 CB VAL A 6 10.025 -7.078 -13.258 1.00 71.32 C ATOM 97 CG1 VAL A 6 9.946 -8.018 -14.452 1.00 14.22 C ATOM 98 CG2 VAL A 6 8.663 -6.928 -12.596 1.00 45.34 C ATOM 0 H VAL A 6 11.904 -5.961 -11.210 1.00 51.33 H new ATOM 0 HA VAL A 6 10.740 -8.545 -11.845 1.00 52.51 H new ATOM 0 HB VAL A 6 10.339 -6.098 -13.617 1.00 71.32 H new ATOM 0 HG11 VAL A 6 9.206 -7.645 -15.160 1.00 14.22 H new ATOM 0 HG12 VAL A 6 10.920 -8.070 -14.939 1.00 14.22 H new ATOM 0 HG13 VAL A 6 9.656 -9.013 -14.113 1.00 14.22 H new ATOM 0 HG21 VAL A 6 7.940 -6.570 -13.329 1.00 45.34 H new ATOM 0 HG22 VAL A 6 8.339 -7.894 -12.208 1.00 45.34 H new ATOM 0 HG23 VAL A 6 8.733 -6.212 -11.777 1.00 45.34 H new ATOM 108 N ALA A 7 13.092 -8.853 -12.640 1.00 74.31 N ATOM 109 CA ALA A 7 14.386 -9.139 -13.246 1.00 71.44 C ATOM 110 C ALA A 7 14.256 -10.182 -14.352 1.00 11.41 C ATOM 111 O ALA A 7 13.311 -10.972 -14.365 1.00 43.21 O ATOM 112 CB ALA A 7 15.372 -9.610 -12.188 1.00 21.23 C ATOM 0 H ALA A 7 12.773 -9.558 -11.975 1.00 74.31 H new ATOM 0 HA ALA A 7 14.761 -8.218 -13.693 1.00 71.44 H new ATOM 0 HB1 ALA A 7 16.334 -9.820 -12.655 1.00 21.23 H new ATOM 0 HB2 ALA A 7 15.496 -8.832 -11.435 1.00 21.23 H new ATOM 0 HB3 ALA A 7 14.993 -10.516 -11.715 1.00 21.23 H new ATOM 118 N CYS A 8 15.209 -10.177 -15.277 1.00 72.43 N ATOM 119 CA CYS A 8 15.200 -11.122 -16.389 1.00 33.25 C ATOM 120 C CYS A 8 16.558 -11.800 -16.537 1.00 33.43 C ATOM 121 O CYS A 8 17.537 -11.395 -15.912 1.00 60.01 O ATOM 122 CB CYS A 8 14.828 -10.408 -17.689 1.00 71.50 C ATOM 123 SG CYS A 8 15.941 -9.054 -18.132 1.00 32.01 S ATOM 0 H CYS A 8 15.997 -9.530 -15.280 1.00 72.43 H new ATOM 0 HA CYS A 8 14.453 -11.887 -16.177 1.00 33.25 H new ATOM 0 HB2 CYS A 8 14.818 -11.136 -18.500 1.00 71.50 H new ATOM 0 HB3 CYS A 8 13.815 -10.016 -17.599 1.00 71.50 H new ATOM 0 HG CYS A 8 15.545 -8.514 -19.247 1.00 32.01 H new ATOM 129 N GLY A 9 16.608 -12.837 -17.368 1.00 23.45 N ATOM 130 CA GLY A 9 17.850 -13.557 -17.581 1.00 44.23 C ATOM 131 C GLY A 9 17.627 -14.942 -18.154 1.00 72.31 C ATOM 132 O GLY A 9 18.101 -15.934 -17.601 1.00 12.14 O ATOM 0 H GLY A 9 15.811 -13.191 -17.897 1.00 23.45 H new ATOM 0 HA2 GLY A 9 18.486 -12.986 -18.257 1.00 44.23 H new ATOM 0 HA3 GLY A 9 18.385 -13.641 -16.635 1.00 44.23 H new ATOM 136 N ALA A 10 16.901 -15.011 -19.265 1.00 61.44 N ATOM 137 CA ALA A 10 16.616 -16.286 -19.913 1.00 51.54 C ATOM 138 C ALA A 10 17.257 -16.355 -21.295 1.00 45.50 C ATOM 139 O ALA A 10 17.950 -17.318 -21.621 1.00 54.24 O ATOM 140 CB ALA A 10 15.113 -16.501 -20.016 1.00 2.22 C ATOM 0 H ALA A 10 16.500 -14.200 -19.735 1.00 61.44 H new ATOM 0 HA ALA A 10 17.045 -17.080 -19.302 1.00 51.54 H new ATOM 0 HB1 ALA A 10 14.915 -17.456 -20.502 1.00 2.22 H new ATOM 0 HB2 ALA A 10 14.677 -16.504 -19.017 1.00 2.22 H new ATOM 0 HB3 ALA A 10 14.670 -15.697 -20.603 1.00 2.22 H new ATOM 146 N GLY A 11 17.022 -15.326 -22.104 1.00 51.11 N ATOM 147 CA GLY A 11 17.584 -15.291 -23.442 1.00 15.53 C ATOM 148 C GLY A 11 16.994 -14.180 -24.289 1.00 21.22 C ATOM 149 O GLY A 11 17.034 -13.011 -23.906 1.00 3.42 O ATOM 0 H GLY A 11 16.453 -14.516 -21.857 1.00 51.11 H new ATOM 0 HA2 GLY A 11 18.664 -15.159 -23.376 1.00 15.53 H new ATOM 0 HA3 GLY A 11 17.409 -16.249 -23.932 1.00 15.53 H new ATOM 153 N ILE A 12 16.447 -14.546 -25.443 1.00 42.32 N ATOM 154 CA ILE A 12 15.848 -13.571 -26.346 1.00 71.25 C ATOM 155 C ILE A 12 14.499 -13.091 -25.821 1.00 23.10 C ATOM 156 O ILE A 12 13.465 -13.703 -26.086 1.00 21.24 O ATOM 157 CB ILE A 12 15.658 -14.155 -27.759 1.00 35.33 C ATOM 158 CG1 ILE A 12 16.985 -14.696 -28.294 1.00 41.31 C ATOM 159 CG2 ILE A 12 15.092 -13.099 -28.697 1.00 24.31 C ATOM 160 CD1 ILE A 12 16.856 -15.408 -29.623 1.00 0.55 C ATOM 0 H ILE A 12 16.406 -15.510 -25.775 1.00 42.32 H new ATOM 0 HA ILE A 12 16.535 -12.727 -26.400 1.00 71.25 H new ATOM 0 HB ILE A 12 14.948 -14.980 -27.703 1.00 35.33 H new ATOM 0 HG12 ILE A 12 17.688 -13.870 -28.400 1.00 41.31 H new ATOM 0 HG13 ILE A 12 17.409 -15.384 -27.562 1.00 41.31 H new ATOM 0 HG21 ILE A 12 14.963 -13.527 -29.691 1.00 24.31 H new ATOM 0 HG22 ILE A 12 14.127 -12.758 -28.321 1.00 24.31 H new ATOM 0 HG23 ILE A 12 15.779 -12.255 -28.751 1.00 24.31 H new ATOM 0 HD11 ILE A 12 17.836 -15.765 -29.941 1.00 0.55 H new ATOM 0 HD12 ILE A 12 16.178 -16.255 -29.518 1.00 0.55 H new ATOM 0 HD13 ILE A 12 16.461 -14.718 -30.369 1.00 0.55 H new ATOM 172 N ALA A 13 14.518 -11.990 -25.076 1.00 64.53 N ATOM 173 CA ALA A 13 13.297 -11.425 -24.517 1.00 32.52 C ATOM 174 C ALA A 13 13.579 -10.111 -23.797 1.00 63.12 C ATOM 175 O ALA A 13 14.729 -9.683 -23.692 1.00 42.32 O ATOM 176 CB ALA A 13 12.642 -12.419 -23.568 1.00 42.32 C ATOM 0 H ALA A 13 15.366 -11.472 -24.846 1.00 64.53 H new ATOM 0 HA ALA A 13 12.612 -11.218 -25.339 1.00 32.52 H new ATOM 0 HB1 ALA A 13 11.731 -11.984 -23.158 1.00 42.32 H new ATOM 0 HB2 ALA A 13 12.396 -13.332 -24.110 1.00 42.32 H new ATOM 0 HB3 ALA A 13 13.330 -12.654 -22.756 1.00 42.32 H new ATOM 182 N THR A 14 12.523 -9.473 -23.303 1.00 32.33 N ATOM 183 CA THR A 14 12.657 -8.207 -22.595 1.00 0.44 C ATOM 184 C THR A 14 11.812 -8.194 -21.326 1.00 1.31 C ATOM 185 O THR A 14 10.922 -9.026 -21.153 1.00 71.10 O ATOM 186 CB THR A 14 12.245 -7.019 -23.485 1.00 35.03 C ATOM 187 OG1 THR A 14 12.536 -7.310 -24.856 1.00 70.20 O ATOM 188 CG2 THR A 14 12.971 -5.750 -23.065 1.00 20.12 C ATOM 0 H THR A 14 11.565 -9.813 -23.381 1.00 32.33 H new ATOM 0 HA THR A 14 13.709 -8.104 -22.329 1.00 0.44 H new ATOM 0 HB THR A 14 11.173 -6.860 -23.367 1.00 35.03 H new ATOM 0 HG1 THR A 14 12.270 -6.551 -25.415 1.00 70.20 H new ATOM 0 HG21 THR A 14 12.664 -4.925 -23.708 1.00 20.12 H new ATOM 0 HG22 THR A 14 12.723 -5.515 -22.030 1.00 20.12 H new ATOM 0 HG23 THR A 14 14.047 -5.899 -23.156 1.00 20.12 H new ATOM 196 N SER A 15 12.096 -7.243 -20.441 1.00 21.41 N ATOM 197 CA SER A 15 11.364 -7.124 -19.186 1.00 34.33 C ATOM 198 C SER A 15 10.232 -6.109 -19.311 1.00 50.24 C ATOM 199 O SER A 15 10.086 -5.216 -18.475 1.00 62.25 O ATOM 200 CB SER A 15 12.310 -6.713 -18.056 1.00 34.43 C ATOM 201 OG SER A 15 13.227 -5.726 -18.492 1.00 41.45 O ATOM 0 H SER A 15 12.828 -6.544 -20.570 1.00 21.41 H new ATOM 0 HA SER A 15 10.932 -8.097 -18.953 1.00 34.33 H new ATOM 0 HB2 SER A 15 11.732 -6.330 -17.215 1.00 34.43 H new ATOM 0 HB3 SER A 15 12.854 -7.587 -17.698 1.00 34.43 H new ATOM 0 HG SER A 15 13.819 -5.479 -17.751 1.00 41.45 H new ATOM 207 N THR A 16 9.431 -6.251 -20.363 1.00 65.23 N ATOM 208 CA THR A 16 8.313 -5.347 -20.601 1.00 24.11 C ATOM 209 C THR A 16 6.989 -6.101 -20.609 1.00 74.31 C ATOM 210 O THR A 16 5.994 -5.636 -20.052 1.00 24.12 O ATOM 211 CB THR A 16 8.472 -4.596 -21.937 1.00 30.45 C ATOM 212 OG1 THR A 16 9.857 -4.343 -22.195 1.00 25.23 O ATOM 213 CG2 THR A 16 7.707 -3.282 -21.913 1.00 12.24 C ATOM 0 H THR A 16 9.536 -6.984 -21.064 1.00 65.23 H new ATOM 0 HA THR A 16 8.311 -4.624 -19.785 1.00 24.11 H new ATOM 0 HB THR A 16 8.064 -5.221 -22.731 1.00 30.45 H new ATOM 0 HG1 THR A 16 9.949 -3.867 -23.047 1.00 25.23 H new ATOM 0 HG21 THR A 16 7.834 -2.770 -22.867 1.00 12.24 H new ATOM 0 HG22 THR A 16 6.648 -3.480 -21.746 1.00 12.24 H new ATOM 0 HG23 THR A 16 8.090 -2.653 -21.109 1.00 12.24 H new ATOM 221 N VAL A 17 6.982 -7.269 -21.244 1.00 74.12 N ATOM 222 CA VAL A 17 5.779 -8.089 -21.323 1.00 73.12 C ATOM 223 C VAL A 17 5.219 -8.379 -19.935 1.00 52.40 C ATOM 224 O VAL A 17 4.007 -8.341 -19.722 1.00 52.32 O ATOM 225 CB VAL A 17 6.055 -9.423 -22.042 1.00 21.23 C ATOM 226 CG1 VAL A 17 4.806 -10.292 -22.054 1.00 44.33 C ATOM 227 CG2 VAL A 17 6.554 -9.172 -23.457 1.00 24.34 C ATOM 0 H VAL A 17 7.796 -7.668 -21.711 1.00 74.12 H new ATOM 0 HA VAL A 17 5.046 -7.521 -21.896 1.00 73.12 H new ATOM 0 HB VAL A 17 6.834 -9.956 -21.496 1.00 21.23 H new ATOM 0 HG11 VAL A 17 5.020 -11.230 -22.566 1.00 44.33 H new ATOM 0 HG12 VAL A 17 4.498 -10.500 -21.029 1.00 44.33 H new ATOM 0 HG13 VAL A 17 4.004 -9.769 -22.575 1.00 44.33 H new ATOM 0 HG21 VAL A 17 6.744 -10.125 -23.950 1.00 24.34 H new ATOM 0 HG22 VAL A 17 5.800 -8.618 -24.016 1.00 24.34 H new ATOM 0 HG23 VAL A 17 7.476 -8.592 -23.420 1.00 24.34 H new ATOM 237 N VAL A 18 6.110 -8.668 -18.992 1.00 11.31 N ATOM 238 CA VAL A 18 5.705 -8.962 -17.622 1.00 64.35 C ATOM 239 C VAL A 18 4.948 -7.790 -17.009 1.00 2.01 C ATOM 240 O VAL A 18 3.786 -7.920 -16.626 1.00 64.53 O ATOM 241 CB VAL A 18 6.921 -9.294 -16.737 1.00 43.21 C ATOM 242 CG1 VAL A 18 6.469 -9.793 -15.373 1.00 52.23 C ATOM 243 CG2 VAL A 18 7.813 -10.319 -17.420 1.00 64.31 C ATOM 0 H VAL A 18 7.117 -8.705 -19.151 1.00 11.31 H new ATOM 0 HA VAL A 18 5.048 -9.831 -17.665 1.00 64.35 H new ATOM 0 HB VAL A 18 7.501 -8.383 -16.590 1.00 43.21 H new ATOM 0 HG11 VAL A 18 7.342 -10.022 -14.762 1.00 52.23 H new ATOM 0 HG12 VAL A 18 5.875 -9.022 -14.882 1.00 52.23 H new ATOM 0 HG13 VAL A 18 5.866 -10.692 -15.496 1.00 52.23 H new ATOM 0 HG21 VAL A 18 8.667 -10.542 -16.780 1.00 64.31 H new ATOM 0 HG22 VAL A 18 7.246 -11.233 -17.599 1.00 64.31 H new ATOM 0 HG23 VAL A 18 8.166 -9.918 -18.370 1.00 64.31 H new ATOM 253 N ASN A 19 5.615 -6.644 -16.919 1.00 3.13 N ATOM 254 CA ASN A 19 5.005 -5.447 -16.351 1.00 61.02 C ATOM 255 C ASN A 19 3.748 -5.058 -17.124 1.00 24.51 C ATOM 256 O ASN A 19 2.682 -4.871 -16.540 1.00 72.03 O ATOM 257 CB ASN A 19 6.003 -4.287 -16.361 1.00 53.03 C ATOM 258 CG ASN A 19 5.317 -2.935 -16.370 1.00 13.44 C ATOM 259 OD1 ASN A 19 4.380 -2.741 -15.449 1.00 71.33 O flip ATOM 260 ND2 ASN A 19 5.626 -2.074 -17.194 1.00 13.13 N flip ATOM 0 H ASN A 19 6.578 -6.519 -17.232 1.00 3.13 H new ATOM 0 HA ASN A 19 4.723 -5.666 -15.321 1.00 61.02 H new ATOM 0 HB2 ASN A 19 6.648 -4.358 -15.485 1.00 53.03 H new ATOM 0 HB3 ASN A 19 6.645 -4.371 -17.238 1.00 53.03 H new ATOM 0 HD21 ASN A 19 6.352 -2.266 -17.884 1.00 13.13 H new ATOM 0 HD22 ASN A 19 5.156 -1.169 -17.186 1.00 13.13 H new ATOM 267 N ASN A 20 3.883 -4.940 -18.441 1.00 20.01 N ATOM 268 CA ASN A 20 2.758 -4.574 -19.294 1.00 45.13 C ATOM 269 C ASN A 20 1.557 -5.476 -19.028 1.00 62.00 C ATOM 270 O ASN A 20 0.410 -5.065 -19.199 1.00 32.35 O ATOM 271 CB ASN A 20 3.160 -4.662 -20.768 1.00 71.01 C ATOM 272 CG ASN A 20 3.809 -3.386 -21.268 1.00 12.31 C ATOM 273 OD1 ASN A 20 4.914 -2.999 -20.641 1.00 24.41 O flip ATOM 274 ND2 ASN A 20 3.322 -2.755 -22.207 1.00 34.03 N flip ATOM 0 H ASN A 20 4.759 -5.092 -18.940 1.00 20.01 H new ATOM 0 HA ASN A 20 2.476 -3.547 -19.061 1.00 45.13 H new ATOM 0 HB2 ASN A 20 3.850 -5.495 -20.904 1.00 71.01 H new ATOM 0 HB3 ASN A 20 2.277 -4.877 -21.370 1.00 71.01 H new ATOM 0 HD21 ASN A 20 2.471 -3.090 -22.660 1.00 34.03 H new ATOM 0 HD22 ASN A 20 3.769 -1.898 -22.532 1.00 34.03 H new ATOM 281 N ALA A 21 1.830 -6.707 -18.608 1.00 62.15 N ATOM 282 CA ALA A 21 0.773 -7.667 -18.316 1.00 14.41 C ATOM 283 C ALA A 21 0.253 -7.494 -16.893 1.00 24.35 C ATOM 284 O ALA A 21 -0.926 -7.210 -16.682 1.00 50.34 O ATOM 285 CB ALA A 21 1.275 -9.087 -18.528 1.00 40.13 C ATOM 0 H ALA A 21 2.775 -7.063 -18.462 1.00 62.15 H new ATOM 0 HA ALA A 21 -0.053 -7.480 -19.002 1.00 14.41 H new ATOM 0 HB1 ALA A 21 0.475 -9.793 -18.306 1.00 40.13 H new ATOM 0 HB2 ALA A 21 1.591 -9.210 -19.564 1.00 40.13 H new ATOM 0 HB3 ALA A 21 2.120 -9.277 -17.866 1.00 40.13 H new ATOM 291 N ILE A 22 1.141 -7.669 -15.919 1.00 34.20 N ATOM 292 CA ILE A 22 0.771 -7.532 -14.516 1.00 31.43 C ATOM 293 C ILE A 22 0.059 -6.208 -14.261 1.00 71.23 C ATOM 294 O ILE A 22 -0.831 -6.124 -13.415 1.00 43.44 O ATOM 295 CB ILE A 22 2.004 -7.624 -13.597 1.00 73.22 C ATOM 296 CG1 ILE A 22 2.694 -8.979 -13.767 1.00 73.32 C ATOM 297 CG2 ILE A 22 1.601 -7.407 -12.146 1.00 74.33 C ATOM 298 CD1 ILE A 22 1.787 -10.158 -13.491 1.00 12.01 C ATOM 0 H ILE A 22 2.121 -7.906 -16.076 1.00 34.20 H new ATOM 0 HA ILE A 22 0.094 -8.355 -14.287 1.00 31.43 H new ATOM 0 HB ILE A 22 2.708 -6.841 -13.879 1.00 73.22 H new ATOM 0 HG12 ILE A 22 3.078 -9.057 -14.784 1.00 73.32 H new ATOM 0 HG13 ILE A 22 3.553 -9.027 -13.097 1.00 73.32 H new ATOM 0 HG21 ILE A 22 2.483 -7.475 -11.509 1.00 74.33 H new ATOM 0 HG22 ILE A 22 1.150 -6.421 -12.037 1.00 74.33 H new ATOM 0 HG23 ILE A 22 0.881 -8.170 -11.851 1.00 74.33 H new ATOM 0 HD11 ILE A 22 2.343 -11.085 -13.631 1.00 12.01 H new ATOM 0 HD12 ILE A 22 1.423 -10.105 -12.465 1.00 12.01 H new ATOM 0 HD13 ILE A 22 0.941 -10.135 -14.178 1.00 12.01 H new ATOM 310 N GLU A 23 0.456 -5.177 -15.001 1.00 21.32 N ATOM 311 CA GLU A 23 -0.146 -3.857 -14.855 1.00 45.03 C ATOM 312 C GLU A 23 -1.539 -3.823 -15.476 1.00 40.45 C ATOM 313 O GLU A 23 -2.423 -3.110 -15.002 1.00 71.22 O ATOM 314 CB GLU A 23 0.741 -2.793 -15.506 1.00 63.53 C ATOM 315 CG GLU A 23 0.627 -2.749 -17.021 1.00 35.03 C ATOM 316 CD GLU A 23 1.523 -1.696 -17.643 1.00 52.00 C ATOM 317 OE1 GLU A 23 0.986 -0.735 -18.233 1.00 43.21 O ATOM 318 OE2 GLU A 23 2.760 -1.833 -17.540 1.00 54.25 O ATOM 0 H GLU A 23 1.191 -5.230 -15.706 1.00 21.32 H new ATOM 0 HA GLU A 23 -0.237 -3.643 -13.790 1.00 45.03 H new ATOM 0 HB2 GLU A 23 0.478 -1.816 -15.102 1.00 63.53 H new ATOM 0 HB3 GLU A 23 1.779 -2.981 -15.234 1.00 63.53 H new ATOM 0 HG2 GLU A 23 0.884 -3.726 -17.429 1.00 35.03 H new ATOM 0 HG3 GLU A 23 -0.408 -2.550 -17.298 1.00 35.03 H new ATOM 325 N GLU A 24 -1.726 -4.597 -16.541 1.00 25.34 N ATOM 326 CA GLU A 24 -3.011 -4.654 -17.227 1.00 65.24 C ATOM 327 C GLU A 24 -4.065 -5.326 -16.353 1.00 55.00 C ATOM 328 O GLU A 24 -5.250 -5.000 -16.430 1.00 4.22 O ATOM 329 CB GLU A 24 -2.873 -5.409 -18.551 1.00 74.22 C ATOM 330 CG GLU A 24 -3.399 -6.834 -18.497 1.00 11.24 C ATOM 331 CD GLU A 24 -3.020 -7.643 -19.722 1.00 2.12 C ATOM 332 OE1 GLU A 24 -3.118 -7.103 -20.843 1.00 64.25 O ATOM 333 OE2 GLU A 24 -2.625 -8.816 -19.558 1.00 22.40 O ATOM 0 H GLU A 24 -1.004 -5.193 -16.947 1.00 25.34 H new ATOM 0 HA GLU A 24 -3.331 -3.632 -17.431 1.00 65.24 H new ATOM 0 HB2 GLU A 24 -3.407 -4.863 -19.328 1.00 74.22 H new ATOM 0 HB3 GLU A 24 -1.822 -5.429 -18.840 1.00 74.22 H new ATOM 0 HG2 GLU A 24 -3.010 -7.327 -17.606 1.00 11.24 H new ATOM 0 HG3 GLU A 24 -4.485 -6.813 -18.402 1.00 11.24 H new ATOM 340 N MET A 25 -3.626 -6.266 -15.523 1.00 31.22 N ATOM 341 CA MET A 25 -4.532 -6.984 -14.633 1.00 40.24 C ATOM 342 C MET A 25 -4.617 -6.296 -13.274 1.00 72.43 C ATOM 343 O MET A 25 -5.695 -6.184 -12.692 1.00 13.12 O ATOM 344 CB MET A 25 -4.068 -8.431 -14.458 1.00 34.12 C ATOM 345 CG MET A 25 -2.683 -8.555 -13.844 1.00 71.35 C ATOM 346 SD MET A 25 -1.987 -10.208 -14.031 1.00 23.02 S ATOM 347 CE MET A 25 -1.354 -10.122 -15.704 1.00 61.12 C ATOM 0 H MET A 25 -2.649 -6.549 -15.448 1.00 31.22 H new ATOM 0 HA MET A 25 -5.524 -6.981 -15.084 1.00 40.24 H new ATOM 0 HB2 MET A 25 -4.784 -8.960 -13.829 1.00 34.12 H new ATOM 0 HB3 MET A 25 -4.071 -8.925 -15.430 1.00 34.12 H new ATOM 0 HG2 MET A 25 -2.017 -7.829 -14.310 1.00 71.35 H new ATOM 0 HG3 MET A 25 -2.736 -8.305 -12.784 1.00 71.35 H new ATOM 0 HE1 MET A 25 -1.642 -11.021 -16.249 1.00 61.12 H new ATOM 0 HE2 MET A 25 -1.767 -9.246 -16.205 1.00 61.12 H new ATOM 0 HE3 MET A 25 -0.267 -10.046 -15.678 1.00 61.12 H new ATOM 357 N ALA A 26 -3.474 -5.839 -12.775 1.00 3.21 N ATOM 358 CA ALA A 26 -3.420 -5.161 -11.485 1.00 72.34 C ATOM 359 C ALA A 26 -4.412 -4.004 -11.432 1.00 21.13 C ATOM 360 O ALA A 26 -5.098 -3.806 -10.428 1.00 64.24 O ATOM 361 CB ALA A 26 -2.009 -4.663 -11.209 1.00 74.02 C ATOM 0 H ALA A 26 -2.572 -5.926 -13.244 1.00 3.21 H new ATOM 0 HA ALA A 26 -3.697 -5.879 -10.713 1.00 72.34 H new ATOM 0 HB1 ALA A 26 -1.984 -4.159 -10.243 1.00 74.02 H new ATOM 0 HB2 ALA A 26 -1.321 -5.508 -11.196 1.00 74.02 H new ATOM 0 HB3 ALA A 26 -1.710 -3.964 -11.991 1.00 74.02 H new ATOM 367 N LYS A 27 -4.483 -3.241 -12.517 1.00 70.22 N ATOM 368 CA LYS A 27 -5.391 -2.103 -12.595 1.00 33.21 C ATOM 369 C LYS A 27 -6.836 -2.544 -12.380 1.00 24.03 C ATOM 370 O LYS A 27 -7.615 -1.850 -11.727 1.00 44.05 O ATOM 371 CB LYS A 27 -5.256 -1.408 -13.952 1.00 22.04 C ATOM 372 CG LYS A 27 -4.066 -0.468 -14.037 1.00 52.40 C ATOM 373 CD LYS A 27 -4.068 0.317 -15.338 1.00 61.03 C ATOM 374 CE LYS A 27 -4.851 1.614 -15.206 1.00 5.41 C ATOM 375 NZ LYS A 27 -4.885 2.375 -16.486 1.00 21.50 N ATOM 0 H LYS A 27 -3.922 -3.390 -13.356 1.00 70.22 H new ATOM 0 HA LYS A 27 -5.122 -1.401 -11.806 1.00 33.21 H new ATOM 0 HB2 LYS A 27 -5.167 -2.165 -14.731 1.00 22.04 H new ATOM 0 HB3 LYS A 27 -6.168 -0.846 -14.156 1.00 22.04 H new ATOM 0 HG2 LYS A 27 -4.086 0.223 -13.194 1.00 52.40 H new ATOM 0 HG3 LYS A 27 -3.142 -1.041 -13.958 1.00 52.40 H new ATOM 0 HD2 LYS A 27 -3.042 0.539 -15.632 1.00 61.03 H new ATOM 0 HD3 LYS A 27 -4.502 -0.292 -16.131 1.00 61.03 H new ATOM 0 HE2 LYS A 27 -5.870 1.392 -14.888 1.00 5.41 H new ATOM 0 HE3 LYS A 27 -4.402 2.232 -14.428 1.00 5.41 H new ATOM 0 HZ1 LYS A 27 -5.428 3.252 -16.354 1.00 21.50 H new ATOM 0 HZ2 LYS A 27 -3.914 2.609 -16.777 1.00 21.50 H new ATOM 0 HZ3 LYS A 27 -5.337 1.796 -17.222 1.00 21.50 H new ATOM 389 N GLU A 28 -7.185 -3.702 -12.931 1.00 65.22 N ATOM 390 CA GLU A 28 -8.536 -4.235 -12.798 1.00 5.40 C ATOM 391 C GLU A 28 -8.811 -4.665 -11.360 1.00 54.31 C ATOM 392 O GLU A 28 -9.926 -4.515 -10.858 1.00 72.25 O ATOM 393 CB GLU A 28 -8.736 -5.420 -13.744 1.00 61.40 C ATOM 394 CG GLU A 28 -10.188 -5.842 -13.893 1.00 11.31 C ATOM 395 CD GLU A 28 -11.069 -4.724 -14.415 1.00 53.51 C ATOM 396 OE1 GLU A 28 -10.719 -4.128 -15.455 1.00 72.02 O ATOM 397 OE2 GLU A 28 -12.110 -4.445 -13.783 1.00 3.51 O ATOM 0 H GLU A 28 -6.551 -4.289 -13.474 1.00 65.22 H new ATOM 0 HA GLU A 28 -9.239 -3.445 -13.064 1.00 5.40 H new ATOM 0 HB2 GLU A 28 -8.339 -5.161 -14.726 1.00 61.40 H new ATOM 0 HB3 GLU A 28 -8.156 -6.267 -13.379 1.00 61.40 H new ATOM 0 HG2 GLU A 28 -10.247 -6.693 -14.571 1.00 11.31 H new ATOM 0 HG3 GLU A 28 -10.566 -6.177 -12.927 1.00 11.31 H new ATOM 404 N HIS A 29 -7.788 -5.200 -10.702 1.00 72.41 N ATOM 405 CA HIS A 29 -7.919 -5.653 -9.322 1.00 15.23 C ATOM 406 C HIS A 29 -7.999 -4.466 -8.366 1.00 52.13 C ATOM 407 O HIS A 29 -8.573 -4.567 -7.283 1.00 0.32 O ATOM 408 CB HIS A 29 -6.741 -6.549 -8.942 1.00 64.53 C ATOM 409 CG HIS A 29 -6.787 -7.903 -9.582 1.00 14.11 C ATOM 410 ND1 HIS A 29 -7.643 -8.902 -9.167 1.00 64.05 N ATOM 411 CD2 HIS A 29 -6.079 -8.420 -10.613 1.00 52.32 C ATOM 412 CE1 HIS A 29 -7.457 -9.975 -9.915 1.00 32.40 C ATOM 413 NE2 HIS A 29 -6.514 -9.709 -10.800 1.00 51.34 N ATOM 0 H HIS A 29 -6.859 -5.331 -11.102 1.00 72.41 H new ATOM 0 HA HIS A 29 -8.842 -6.226 -9.241 1.00 15.23 H new ATOM 0 HB2 HIS A 29 -5.812 -6.054 -9.225 1.00 64.53 H new ATOM 0 HB3 HIS A 29 -6.721 -6.669 -7.859 1.00 64.53 H new ATOM 0 HD2 HIS A 29 -5.314 -7.913 -11.183 1.00 52.32 H new ATOM 0 HE1 HIS A 29 -7.987 -10.911 -9.819 1.00 32.40 H new ATOM 0 HE2 HIS A 29 -6.165 -10.356 -11.508 1.00 51.34 H new ATOM 421 N ASN A 30 -7.419 -3.343 -8.776 1.00 41.40 N ATOM 422 CA ASN A 30 -7.423 -2.137 -7.956 1.00 13.23 C ATOM 423 C ASN A 30 -6.602 -2.340 -6.686 1.00 14.23 C ATOM 424 O ASN A 30 -7.019 -1.946 -5.596 1.00 31.21 O ATOM 425 CB ASN A 30 -8.858 -1.747 -7.592 1.00 64.24 C ATOM 426 CG ASN A 30 -9.838 -2.041 -8.712 1.00 24.02 C ATOM 427 OD1 ASN A 30 -10.776 -2.819 -8.542 1.00 33.13 O ATOM 428 ND2 ASN A 30 -9.623 -1.418 -9.865 1.00 22.03 N ATOM 0 H ASN A 30 -6.940 -3.243 -9.671 1.00 41.40 H new ATOM 0 HA ASN A 30 -6.971 -1.332 -8.535 1.00 13.23 H new ATOM 0 HB2 ASN A 30 -9.162 -2.287 -6.695 1.00 64.24 H new ATOM 0 HB3 ASN A 30 -8.893 -0.684 -7.351 1.00 64.24 H new ATOM 0 HD21 ASN A 30 -10.249 -1.576 -10.655 1.00 22.03 H new ATOM 0 HD22 ASN A 30 -8.832 -0.781 -9.961 1.00 22.03 H new ATOM 435 N ILE A 31 -5.435 -2.956 -6.835 1.00 4.31 N ATOM 436 CA ILE A 31 -4.555 -3.209 -5.701 1.00 21.23 C ATOM 437 C ILE A 31 -3.353 -2.271 -5.717 1.00 64.32 C ATOM 438 O ILE A 31 -2.911 -1.829 -6.778 1.00 5.34 O ATOM 439 CB ILE A 31 -4.055 -4.666 -5.690 1.00 52.13 C ATOM 440 CG1 ILE A 31 -5.230 -5.632 -5.858 1.00 63.14 C ATOM 441 CG2 ILE A 31 -3.302 -4.958 -4.401 1.00 71.42 C ATOM 442 CD1 ILE A 31 -4.806 -7.074 -6.031 1.00 51.12 C ATOM 0 H ILE A 31 -5.077 -3.289 -7.730 1.00 4.31 H new ATOM 0 HA ILE A 31 -5.142 -3.028 -4.800 1.00 21.23 H new ATOM 0 HB ILE A 31 -3.371 -4.806 -6.527 1.00 52.13 H new ATOM 0 HG12 ILE A 31 -5.881 -5.555 -4.987 1.00 63.14 H new ATOM 0 HG13 ILE A 31 -5.819 -5.328 -6.724 1.00 63.14 H new ATOM 0 HG21 ILE A 31 -2.955 -5.991 -4.408 1.00 71.42 H new ATOM 0 HG22 ILE A 31 -2.446 -4.288 -4.320 1.00 71.42 H new ATOM 0 HG23 ILE A 31 -3.965 -4.804 -3.550 1.00 71.42 H new ATOM 0 HD11 ILE A 31 -5.690 -7.702 -6.144 1.00 51.12 H new ATOM 0 HD12 ILE A 31 -4.180 -7.165 -6.918 1.00 51.12 H new ATOM 0 HD13 ILE A 31 -4.243 -7.395 -5.155 1.00 51.12 H new ATOM 454 N LYS A 32 -2.826 -1.973 -4.534 1.00 43.14 N ATOM 455 CA LYS A 32 -1.672 -1.090 -4.411 1.00 61.10 C ATOM 456 C LYS A 32 -0.396 -1.796 -4.859 1.00 72.13 C ATOM 457 O LYS A 32 0.440 -2.170 -4.037 1.00 3.40 O ATOM 458 CB LYS A 32 -1.522 -0.612 -2.965 1.00 23.31 C ATOM 459 CG LYS A 32 -2.466 0.519 -2.597 1.00 32.21 C ATOM 460 CD LYS A 32 -3.807 -0.009 -2.116 1.00 14.14 C ATOM 461 CE LYS A 32 -3.806 -0.246 -0.613 1.00 54.31 C ATOM 462 NZ LYS A 32 -3.374 -1.629 -0.270 1.00 0.21 N ATOM 0 H LYS A 32 -3.180 -2.330 -3.647 1.00 43.14 H new ATOM 0 HA LYS A 32 -1.835 -0.228 -5.058 1.00 61.10 H new ATOM 0 HB2 LYS A 32 -1.697 -1.453 -2.293 1.00 23.31 H new ATOM 0 HB3 LYS A 32 -0.495 -0.284 -2.804 1.00 23.31 H new ATOM 0 HG2 LYS A 32 -2.014 1.132 -1.817 1.00 32.21 H new ATOM 0 HG3 LYS A 32 -2.617 1.164 -3.462 1.00 32.21 H new ATOM 0 HD2 LYS A 32 -4.592 0.702 -2.373 1.00 14.14 H new ATOM 0 HD3 LYS A 32 -4.039 -0.941 -2.632 1.00 14.14 H new ATOM 0 HE2 LYS A 32 -3.141 0.472 -0.133 1.00 54.31 H new ATOM 0 HE3 LYS A 32 -4.806 -0.069 -0.217 1.00 54.31 H new ATOM 0 HZ1 LYS A 32 -3.770 -1.897 0.654 1.00 0.21 H new ATOM 0 HZ2 LYS A 32 -3.714 -2.290 -0.998 1.00 0.21 H new ATOM 0 HZ3 LYS A 32 -2.336 -1.667 -0.226 1.00 0.21 H new ATOM 476 N VAL A 33 -0.253 -1.975 -6.169 1.00 1.23 N ATOM 477 CA VAL A 33 0.922 -2.634 -6.726 1.00 42.54 C ATOM 478 C VAL A 33 1.828 -1.633 -7.437 1.00 34.55 C ATOM 479 O VAL A 33 1.373 -0.857 -8.276 1.00 42.55 O ATOM 480 CB VAL A 33 0.526 -3.744 -7.717 1.00 72.22 C ATOM 481 CG1 VAL A 33 1.747 -4.549 -8.134 1.00 22.22 C ATOM 482 CG2 VAL A 33 -0.536 -4.647 -7.108 1.00 22.34 C ATOM 0 H VAL A 33 -0.936 -1.673 -6.864 1.00 1.23 H new ATOM 0 HA VAL A 33 1.462 -3.079 -5.890 1.00 42.54 H new ATOM 0 HB VAL A 33 0.107 -3.278 -8.609 1.00 72.22 H new ATOM 0 HG11 VAL A 33 1.447 -5.329 -8.834 1.00 22.22 H new ATOM 0 HG12 VAL A 33 2.471 -3.890 -8.613 1.00 22.22 H new ATOM 0 HG13 VAL A 33 2.199 -5.006 -7.254 1.00 22.22 H new ATOM 0 HG21 VAL A 33 -0.804 -5.426 -7.822 1.00 22.34 H new ATOM 0 HG22 VAL A 33 -0.146 -5.106 -6.200 1.00 22.34 H new ATOM 0 HG23 VAL A 33 -1.420 -4.057 -6.866 1.00 22.34 H new ATOM 492 N ASP A 34 3.111 -1.659 -7.094 1.00 51.11 N ATOM 493 CA ASP A 34 4.082 -0.755 -7.700 1.00 70.30 C ATOM 494 C ASP A 34 5.114 -1.532 -8.511 1.00 44.13 C ATOM 495 O ASP A 34 6.238 -1.751 -8.057 1.00 51.43 O ATOM 496 CB ASP A 34 4.781 0.074 -6.622 1.00 22.24 C ATOM 497 CG ASP A 34 3.887 1.160 -6.056 1.00 64.11 C ATOM 498 OD1 ASP A 34 4.255 2.349 -6.167 1.00 34.40 O ATOM 499 OD2 ASP A 34 2.820 0.821 -5.503 1.00 42.43 O ATOM 0 H ASP A 34 3.503 -2.296 -6.400 1.00 51.11 H new ATOM 0 HA ASP A 34 3.547 -0.084 -8.373 1.00 70.30 H new ATOM 0 HB2 ASP A 34 5.105 -0.583 -5.815 1.00 22.24 H new ATOM 0 HB3 ASP A 34 5.678 0.528 -7.042 1.00 22.24 H new ATOM 504 N ILE A 35 4.725 -1.947 -9.712 1.00 44.32 N ATOM 505 CA ILE A 35 5.617 -2.699 -10.586 1.00 3.20 C ATOM 506 C ILE A 35 6.917 -1.939 -10.830 1.00 72.32 C ATOM 507 O ILE A 35 6.905 -0.745 -11.129 1.00 15.24 O ATOM 508 CB ILE A 35 4.952 -3.004 -11.941 1.00 20.50 C ATOM 509 CG1 ILE A 35 3.662 -3.801 -11.732 1.00 65.25 C ATOM 510 CG2 ILE A 35 5.912 -3.766 -12.842 1.00 70.43 C ATOM 511 CD1 ILE A 35 2.505 -3.309 -12.573 1.00 65.05 C ATOM 0 H ILE A 35 3.798 -1.775 -10.102 1.00 44.32 H new ATOM 0 HA ILE A 35 5.838 -3.638 -10.079 1.00 3.20 H new ATOM 0 HB ILE A 35 4.700 -2.061 -12.427 1.00 20.50 H new ATOM 0 HG12 ILE A 35 3.850 -4.849 -11.965 1.00 65.25 H new ATOM 0 HG13 ILE A 35 3.382 -3.754 -10.680 1.00 65.25 H new ATOM 0 HG21 ILE A 35 5.428 -3.974 -13.796 1.00 70.43 H new ATOM 0 HG22 ILE A 35 6.806 -3.165 -13.012 1.00 70.43 H new ATOM 0 HG23 ILE A 35 6.192 -4.705 -12.364 1.00 70.43 H new ATOM 0 HD11 ILE A 35 1.625 -3.920 -12.373 1.00 65.05 H new ATOM 0 HD12 ILE A 35 2.290 -2.270 -12.324 1.00 65.05 H new ATOM 0 HD13 ILE A 35 2.766 -3.382 -13.629 1.00 65.05 H new ATOM 523 N LYS A 36 8.038 -2.641 -10.703 1.00 42.44 N ATOM 524 CA LYS A 36 9.348 -2.035 -10.913 1.00 51.11 C ATOM 525 C LYS A 36 10.246 -2.952 -11.737 1.00 21.44 C ATOM 526 O LYS A 36 10.154 -4.176 -11.639 1.00 3.33 O ATOM 527 CB LYS A 36 10.011 -1.726 -9.569 1.00 22.51 C ATOM 528 CG LYS A 36 10.593 -0.326 -9.485 1.00 64.20 C ATOM 529 CD LYS A 36 10.389 0.281 -8.107 1.00 41.12 C ATOM 530 CE LYS A 36 11.673 0.897 -7.574 1.00 4.14 C ATOM 531 NZ LYS A 36 11.441 1.662 -6.317 1.00 24.30 N ATOM 0 H LYS A 36 8.066 -3.630 -10.456 1.00 42.44 H new ATOM 0 HA LYS A 36 9.207 -1.105 -11.463 1.00 51.11 H new ATOM 0 HB2 LYS A 36 9.277 -1.853 -8.774 1.00 22.51 H new ATOM 0 HB3 LYS A 36 10.804 -2.452 -9.390 1.00 22.51 H new ATOM 0 HG2 LYS A 36 11.658 -0.359 -9.715 1.00 64.20 H new ATOM 0 HG3 LYS A 36 10.124 0.309 -10.236 1.00 64.20 H new ATOM 0 HD2 LYS A 36 9.611 1.043 -8.155 1.00 41.12 H new ATOM 0 HD3 LYS A 36 10.039 -0.488 -7.418 1.00 41.12 H new ATOM 0 HE2 LYS A 36 12.404 0.110 -7.390 1.00 4.14 H new ATOM 0 HE3 LYS A 36 12.099 1.558 -8.328 1.00 4.14 H new ATOM 0 HZ1 LYS A 36 11.569 2.678 -6.500 1.00 24.30 H new ATOM 0 HZ2 LYS A 36 10.472 1.490 -5.980 1.00 24.30 H new ATOM 0 HZ3 LYS A 36 12.120 1.353 -5.592 1.00 24.30 H new ATOM 545 N GLN A 37 11.114 -2.353 -12.546 1.00 32.14 N ATOM 546 CA GLN A 37 12.029 -3.118 -13.385 1.00 13.22 C ATOM 547 C GLN A 37 13.477 -2.734 -13.102 1.00 2.55 C ATOM 548 O GLN A 37 13.827 -1.553 -13.101 1.00 3.04 O ATOM 549 CB GLN A 37 11.708 -2.891 -14.863 1.00 63.23 C ATOM 550 CG GLN A 37 10.236 -3.066 -15.200 1.00 44.15 C ATOM 551 CD GLN A 37 9.902 -2.612 -16.608 1.00 23.41 C ATOM 552 OE1 GLN A 37 10.790 -2.433 -17.442 1.00 22.10 O ATOM 553 NE2 GLN A 37 8.616 -2.424 -16.880 1.00 22.40 N ATOM 0 H GLN A 37 11.203 -1.341 -12.638 1.00 32.14 H new ATOM 0 HA GLN A 37 11.901 -4.175 -13.150 1.00 13.22 H new ATOM 0 HB2 GLN A 37 12.019 -1.885 -15.143 1.00 63.23 H new ATOM 0 HB3 GLN A 37 12.295 -3.585 -15.464 1.00 63.23 H new ATOM 0 HG2 GLN A 37 9.963 -4.115 -15.086 1.00 44.15 H new ATOM 0 HG3 GLN A 37 9.634 -2.501 -14.488 1.00 44.15 H new ATOM 0 HE21 GLN A 37 7.913 -2.584 -16.158 1.00 22.40 H new ATOM 0 HE22 GLN A 37 8.331 -2.119 -17.811 1.00 22.40 H new ATOM 562 N ILE A 38 14.314 -3.737 -12.861 1.00 62.23 N ATOM 563 CA ILE A 38 15.725 -3.504 -12.577 1.00 53.44 C ATOM 564 C ILE A 38 16.595 -4.607 -13.169 1.00 74.34 C ATOM 565 O ILE A 38 16.088 -5.597 -13.698 1.00 14.10 O ATOM 566 CB ILE A 38 15.987 -3.416 -11.062 1.00 50.24 C ATOM 567 CG1 ILE A 38 15.993 -4.814 -10.442 1.00 33.33 C ATOM 568 CG2 ILE A 38 14.940 -2.538 -10.394 1.00 12.24 C ATOM 569 CD1 ILE A 38 14.688 -5.560 -10.620 1.00 5.43 C ATOM 0 H ILE A 38 14.040 -4.719 -12.857 1.00 62.23 H new ATOM 0 HA ILE A 38 15.987 -2.552 -13.039 1.00 53.44 H new ATOM 0 HB ILE A 38 16.966 -2.965 -10.903 1.00 50.24 H new ATOM 0 HG12 ILE A 38 16.799 -5.397 -10.888 1.00 33.33 H new ATOM 0 HG13 ILE A 38 16.212 -4.730 -9.377 1.00 33.33 H new ATOM 0 HG21 ILE A 38 15.138 -2.485 -9.324 1.00 12.24 H new ATOM 0 HG22 ILE A 38 14.980 -1.536 -10.820 1.00 12.24 H new ATOM 0 HG23 ILE A 38 13.950 -2.963 -10.559 1.00 12.24 H new ATOM 0 HD11 ILE A 38 14.765 -6.543 -10.156 1.00 5.43 H new ATOM 0 HD12 ILE A 38 13.881 -4.999 -10.150 1.00 5.43 H new ATOM 0 HD13 ILE A 38 14.477 -5.676 -11.683 1.00 5.43 H new ATOM 581 N LYS A 39 17.908 -4.432 -13.076 1.00 3.31 N ATOM 582 CA LYS A 39 18.851 -5.413 -13.599 1.00 21.31 C ATOM 583 C LYS A 39 19.053 -6.556 -12.608 1.00 54.34 C ATOM 584 O LYS A 39 18.751 -6.421 -11.422 1.00 74.32 O ATOM 585 CB LYS A 39 20.194 -4.748 -13.906 1.00 44.41 C ATOM 586 CG LYS A 39 20.397 -4.437 -15.379 1.00 54.11 C ATOM 587 CD LYS A 39 21.871 -4.394 -15.743 1.00 3.14 C ATOM 588 CE LYS A 39 22.097 -3.695 -17.075 1.00 32.04 C ATOM 589 NZ LYS A 39 23.487 -3.175 -17.200 1.00 14.03 N ATOM 0 H LYS A 39 18.344 -3.618 -12.642 1.00 3.31 H new ATOM 0 HA LYS A 39 18.436 -5.822 -14.520 1.00 21.31 H new ATOM 0 HB2 LYS A 39 20.271 -3.823 -13.334 1.00 44.41 H new ATOM 0 HB3 LYS A 39 20.999 -5.400 -13.567 1.00 44.41 H new ATOM 0 HG2 LYS A 39 19.894 -5.192 -15.984 1.00 54.11 H new ATOM 0 HG3 LYS A 39 19.935 -3.479 -15.616 1.00 54.11 H new ATOM 0 HD2 LYS A 39 22.425 -3.876 -14.960 1.00 3.14 H new ATOM 0 HD3 LYS A 39 22.264 -5.409 -15.793 1.00 3.14 H new ATOM 0 HE2 LYS A 39 21.895 -4.391 -17.889 1.00 32.04 H new ATOM 0 HE3 LYS A 39 21.391 -2.871 -17.177 1.00 32.04 H new ATOM 0 HZ1 LYS A 39 23.601 -2.706 -18.121 1.00 14.03 H new ATOM 0 HZ2 LYS A 39 23.672 -2.492 -16.438 1.00 14.03 H new ATOM 0 HZ3 LYS A 39 24.161 -3.964 -17.128 1.00 14.03 H new ATOM 603 N ILE A 40 19.565 -7.677 -13.102 1.00 64.54 N ATOM 604 CA ILE A 40 19.809 -8.841 -12.260 1.00 24.45 C ATOM 605 C ILE A 40 20.668 -8.476 -11.053 1.00 71.33 C ATOM 606 O ILE A 40 20.459 -8.984 -9.951 1.00 15.10 O ATOM 607 CB ILE A 40 20.502 -9.970 -13.045 1.00 73.54 C ATOM 608 CG1 ILE A 40 20.714 -11.191 -12.147 1.00 51.22 C ATOM 609 CG2 ILE A 40 21.828 -9.486 -13.612 1.00 10.44 C ATOM 610 CD1 ILE A 40 19.424 -11.830 -11.682 1.00 24.12 C ATOM 0 H ILE A 40 19.819 -7.804 -14.082 1.00 64.54 H new ATOM 0 HA ILE A 40 18.835 -9.192 -11.919 1.00 24.45 H new ATOM 0 HB ILE A 40 19.859 -10.261 -13.876 1.00 73.54 H new ATOM 0 HG12 ILE A 40 21.303 -11.932 -12.688 1.00 51.22 H new ATOM 0 HG13 ILE A 40 21.298 -10.894 -11.276 1.00 51.22 H new ATOM 0 HG21 ILE A 40 22.305 -10.296 -14.164 1.00 10.44 H new ATOM 0 HG22 ILE A 40 21.652 -8.645 -14.282 1.00 10.44 H new ATOM 0 HG23 ILE A 40 22.479 -9.170 -12.797 1.00 10.44 H new ATOM 0 HD11 ILE A 40 19.650 -12.689 -11.050 1.00 24.12 H new ATOM 0 HD12 ILE A 40 18.843 -11.104 -11.113 1.00 24.12 H new ATOM 0 HD13 ILE A 40 18.848 -12.158 -12.547 1.00 24.12 H new ATOM 622 N THR A 41 21.636 -7.590 -11.269 1.00 34.42 N ATOM 623 CA THR A 41 22.526 -7.156 -10.200 1.00 30.01 C ATOM 624 C THR A 41 22.041 -5.853 -9.576 1.00 0.50 C ATOM 625 O THR A 41 22.839 -5.056 -9.084 1.00 12.53 O ATOM 626 CB THR A 41 23.966 -6.962 -10.712 1.00 72.30 C ATOM 627 OG1 THR A 41 24.825 -6.588 -9.629 1.00 73.12 O ATOM 628 CG2 THR A 41 24.015 -5.897 -11.797 1.00 25.11 C ATOM 0 H THR A 41 21.823 -7.159 -12.175 1.00 34.42 H new ATOM 0 HA THR A 41 22.519 -7.942 -9.445 1.00 30.01 H new ATOM 0 HB THR A 41 24.308 -7.906 -11.136 1.00 72.30 H new ATOM 0 HG1 THR A 41 24.375 -5.920 -9.071 1.00 73.12 H new ATOM 0 HG21 THR A 41 25.042 -5.777 -12.143 1.00 25.11 H new ATOM 0 HG22 THR A 41 23.383 -6.199 -12.632 1.00 25.11 H new ATOM 0 HG23 THR A 41 23.655 -4.950 -11.394 1.00 25.11 H new ATOM 636 N GLU A 42 20.728 -5.643 -9.600 1.00 5.32 N ATOM 637 CA GLU A 42 20.138 -4.434 -9.036 1.00 24.43 C ATOM 638 C GLU A 42 19.163 -4.778 -7.913 1.00 61.05 C ATOM 639 O GLU A 42 18.883 -3.952 -7.044 1.00 62.24 O ATOM 640 CB GLU A 42 19.419 -3.635 -10.124 1.00 62.24 C ATOM 641 CG GLU A 42 19.151 -2.190 -9.741 1.00 54.42 C ATOM 642 CD GLU A 42 20.416 -1.356 -9.688 1.00 11.52 C ATOM 643 OE1 GLU A 42 21.406 -1.738 -10.346 1.00 21.12 O ATOM 644 OE2 GLU A 42 20.416 -0.321 -8.988 1.00 62.23 O ATOM 0 H GLU A 42 20.054 -6.293 -10.003 1.00 5.32 H new ATOM 0 HA GLU A 42 20.943 -3.826 -8.622 1.00 24.43 H new ATOM 0 HB2 GLU A 42 20.018 -3.656 -11.034 1.00 62.24 H new ATOM 0 HB3 GLU A 42 18.472 -4.122 -10.355 1.00 62.24 H new ATOM 0 HG2 GLU A 42 18.460 -1.750 -10.460 1.00 54.42 H new ATOM 0 HG3 GLU A 42 18.660 -2.161 -8.768 1.00 54.42 H new ATOM 651 N VAL A 43 18.648 -6.003 -7.940 1.00 30.25 N ATOM 652 CA VAL A 43 17.704 -6.457 -6.925 1.00 64.51 C ATOM 653 C VAL A 43 18.384 -6.603 -5.568 1.00 60.13 C ATOM 654 O VAL A 43 17.732 -6.549 -4.527 1.00 32.05 O ATOM 655 CB VAL A 43 17.067 -7.804 -7.315 1.00 33.32 C ATOM 656 CG1 VAL A 43 18.142 -8.849 -7.575 1.00 55.30 C ATOM 657 CG2 VAL A 43 16.108 -8.273 -6.231 1.00 12.23 C ATOM 0 H VAL A 43 18.868 -6.698 -8.653 1.00 30.25 H new ATOM 0 HA VAL A 43 16.923 -5.700 -6.857 1.00 64.51 H new ATOM 0 HB VAL A 43 16.500 -7.664 -8.235 1.00 33.32 H new ATOM 0 HG11 VAL A 43 17.672 -9.794 -7.849 1.00 55.30 H new ATOM 0 HG12 VAL A 43 18.786 -8.514 -8.388 1.00 55.30 H new ATOM 0 HG13 VAL A 43 18.739 -8.989 -6.674 1.00 55.30 H new ATOM 0 HG21 VAL A 43 15.667 -9.226 -6.523 1.00 12.23 H new ATOM 0 HG22 VAL A 43 16.651 -8.396 -5.294 1.00 12.23 H new ATOM 0 HG23 VAL A 43 15.319 -7.533 -6.099 1.00 12.23 H new ATOM 667 N GLY A 44 19.701 -6.788 -5.589 1.00 13.14 N ATOM 668 CA GLY A 44 20.448 -6.938 -4.354 1.00 32.14 C ATOM 669 C GLY A 44 20.068 -5.900 -3.316 1.00 72.32 C ATOM 670 O GLY A 44 19.494 -6.215 -2.273 1.00 64.11 O ATOM 0 H GLY A 44 20.263 -6.837 -6.439 1.00 13.14 H new ATOM 0 HA2 GLY A 44 20.275 -7.934 -3.947 1.00 32.14 H new ATOM 0 HA3 GLY A 44 21.514 -6.861 -4.566 1.00 32.14 H new ATOM 674 N PRO A 45 20.392 -4.630 -3.598 1.00 53.43 N ATOM 675 CA PRO A 45 20.091 -3.516 -2.693 1.00 61.42 C ATOM 676 C PRO A 45 18.597 -3.221 -2.614 1.00 42.10 C ATOM 677 O PRO A 45 18.125 -2.615 -1.652 1.00 34.00 O ATOM 678 CB PRO A 45 20.837 -2.337 -3.322 1.00 11.30 C ATOM 679 CG PRO A 45 20.947 -2.685 -4.766 1.00 42.33 C ATOM 680 CD PRO A 45 21.076 -4.182 -4.823 1.00 0.21 C ATOM 0 HA PRO A 45 20.392 -3.730 -1.668 1.00 61.42 H new ATOM 0 HB2 PRO A 45 20.293 -1.403 -3.180 1.00 11.30 H new ATOM 0 HB3 PRO A 45 21.820 -2.205 -2.871 1.00 11.30 H new ATOM 0 HG2 PRO A 45 20.069 -2.348 -5.317 1.00 42.33 H new ATOM 0 HG3 PRO A 45 21.812 -2.201 -5.219 1.00 42.33 H new ATOM 0 HD2 PRO A 45 20.607 -4.592 -5.718 1.00 0.21 H new ATOM 0 HD3 PRO A 45 22.120 -4.495 -4.838 1.00 0.21 H new ATOM 688 N TYR A 46 17.859 -3.653 -3.630 1.00 51.44 N ATOM 689 CA TYR A 46 16.418 -3.432 -3.676 1.00 63.43 C ATOM 690 C TYR A 46 15.667 -4.612 -3.066 1.00 2.32 C ATOM 691 O TYR A 46 14.605 -5.002 -3.550 1.00 23.13 O ATOM 692 CB TYR A 46 15.960 -3.214 -5.119 1.00 45.43 C ATOM 693 CG TYR A 46 16.325 -1.854 -5.671 1.00 0.33 C ATOM 694 CD1 TYR A 46 16.093 -0.699 -4.934 1.00 1.23 C ATOM 695 CD2 TYR A 46 16.900 -1.724 -6.929 1.00 3.54 C ATOM 696 CE1 TYR A 46 16.424 0.546 -5.433 1.00 71.15 C ATOM 697 CE2 TYR A 46 17.236 -0.483 -7.436 1.00 34.13 C ATOM 698 CZ TYR A 46 16.995 0.649 -6.685 1.00 23.54 C ATOM 699 OH TYR A 46 17.327 1.886 -7.187 1.00 15.11 O ATOM 0 H TYR A 46 18.234 -4.158 -4.433 1.00 51.44 H new ATOM 0 HA TYR A 46 16.194 -2.540 -3.092 1.00 63.43 H new ATOM 0 HB2 TYR A 46 16.401 -3.984 -5.752 1.00 45.43 H new ATOM 0 HB3 TYR A 46 14.879 -3.340 -5.171 1.00 45.43 H new ATOM 0 HD1 TYR A 46 15.646 -0.776 -3.954 1.00 1.23 H new ATOM 0 HD2 TYR A 46 17.088 -2.608 -7.521 1.00 3.54 H new ATOM 0 HE1 TYR A 46 16.237 1.433 -4.847 1.00 71.15 H new ATOM 0 HE2 TYR A 46 17.685 -0.400 -8.415 1.00 34.13 H new ATOM 0 HH TYR A 46 17.720 1.782 -8.079 1.00 15.11 H new ATOM 709 N GLU A 47 16.227 -5.174 -1.999 1.00 45.43 N ATOM 710 CA GLU A 47 15.611 -6.308 -1.322 1.00 61.51 C ATOM 711 C GLU A 47 14.850 -5.853 -0.080 1.00 64.30 C ATOM 712 O GLU A 47 13.797 -6.398 0.250 1.00 20.22 O ATOM 713 CB GLU A 47 16.674 -7.338 -0.934 1.00 4.13 C ATOM 714 CG GLU A 47 16.960 -8.358 -2.023 1.00 21.44 C ATOM 715 CD GLU A 47 18.409 -8.805 -2.038 1.00 1.00 C ATOM 716 OE1 GLU A 47 18.818 -9.456 -3.022 1.00 42.34 O ATOM 717 OE2 GLU A 47 19.134 -8.504 -1.066 1.00 75.54 O ATOM 0 H GLU A 47 17.106 -4.862 -1.586 1.00 45.43 H new ATOM 0 HA GLU A 47 14.904 -6.769 -2.011 1.00 61.51 H new ATOM 0 HB2 GLU A 47 17.598 -6.817 -0.684 1.00 4.13 H new ATOM 0 HB3 GLU A 47 16.350 -7.861 -0.034 1.00 4.13 H new ATOM 0 HG2 GLU A 47 16.317 -9.227 -1.880 1.00 21.44 H new ATOM 0 HG3 GLU A 47 16.706 -7.930 -2.993 1.00 21.44 H new ATOM 724 N ASP A 48 15.392 -4.852 0.604 1.00 3.21 N ATOM 725 CA ASP A 48 14.766 -4.322 1.810 1.00 74.13 C ATOM 726 C ASP A 48 13.510 -3.527 1.465 1.00 32.50 C ATOM 727 O ASP A 48 12.403 -3.890 1.864 1.00 34.41 O ATOM 728 CB ASP A 48 15.750 -3.437 2.575 1.00 2.23 C ATOM 729 CG ASP A 48 16.879 -4.233 3.201 1.00 53.32 C ATOM 730 OD1 ASP A 48 17.719 -4.765 2.446 1.00 63.13 O ATOM 731 OD2 ASP A 48 16.922 -4.323 4.445 1.00 11.44 O ATOM 0 H ASP A 48 16.264 -4.391 0.344 1.00 3.21 H new ATOM 0 HA ASP A 48 14.481 -5.164 2.441 1.00 74.13 H new ATOM 0 HB2 ASP A 48 16.167 -2.692 1.897 1.00 2.23 H new ATOM 0 HB3 ASP A 48 15.216 -2.895 3.355 1.00 2.23 H new ATOM 736 N THR A 49 13.689 -2.440 0.722 1.00 41.13 N ATOM 737 CA THR A 49 12.572 -1.592 0.325 1.00 33.42 C ATOM 738 C THR A 49 11.507 -2.396 -0.413 1.00 11.14 C ATOM 739 O THR A 49 10.327 -2.344 -0.068 1.00 53.51 O ATOM 740 CB THR A 49 13.038 -0.432 -0.574 1.00 61.23 C ATOM 741 OG1 THR A 49 13.601 -0.947 -1.786 1.00 22.42 O ATOM 742 CG2 THR A 49 14.067 0.429 0.143 1.00 32.21 C ATOM 0 H THR A 49 14.598 -2.126 0.383 1.00 41.13 H new ATOM 0 HA THR A 49 12.145 -1.183 1.241 1.00 33.42 H new ATOM 0 HB THR A 49 12.172 0.186 -0.810 1.00 61.23 H new ATOM 0 HG1 THR A 49 13.893 -0.203 -2.353 1.00 22.42 H new ATOM 0 HG21 THR A 49 14.381 1.242 -0.512 1.00 32.21 H new ATOM 0 HG22 THR A 49 13.626 0.843 1.050 1.00 32.21 H new ATOM 0 HG23 THR A 49 14.932 -0.180 0.406 1.00 32.21 H new ATOM 750 N ALA A 50 11.932 -3.140 -1.429 1.00 12.42 N ATOM 751 CA ALA A 50 11.014 -3.957 -2.213 1.00 44.44 C ATOM 752 C ALA A 50 10.390 -5.055 -1.359 1.00 55.44 C ATOM 753 O ALA A 50 11.053 -5.643 -0.505 1.00 72.14 O ATOM 754 CB ALA A 50 11.737 -4.561 -3.408 1.00 75.34 C ATOM 0 H ALA A 50 12.906 -3.194 -1.728 1.00 12.42 H new ATOM 0 HA ALA A 50 10.211 -3.314 -2.574 1.00 44.44 H new ATOM 0 HB1 ALA A 50 11.041 -5.169 -3.985 1.00 75.34 H new ATOM 0 HB2 ALA A 50 12.130 -3.762 -4.037 1.00 75.34 H new ATOM 0 HB3 ALA A 50 12.559 -5.185 -3.058 1.00 75.34 H new ATOM 760 N ASP A 51 9.110 -5.325 -1.595 1.00 4.20 N ATOM 761 CA ASP A 51 8.396 -6.353 -0.847 1.00 51.12 C ATOM 762 C ASP A 51 8.519 -7.709 -1.534 1.00 60.24 C ATOM 763 O ASP A 51 9.033 -8.667 -0.955 1.00 4.44 O ATOM 764 CB ASP A 51 6.921 -5.974 -0.699 1.00 64.14 C ATOM 765 CG ASP A 51 6.727 -4.707 0.110 1.00 45.23 C ATOM 766 OD1 ASP A 51 6.423 -3.658 -0.495 1.00 50.14 O ATOM 767 OD2 ASP A 51 6.881 -4.764 1.348 1.00 41.40 O ATOM 0 H ASP A 51 8.547 -4.846 -2.298 1.00 4.20 H new ATOM 0 HA ASP A 51 8.846 -6.426 0.143 1.00 51.12 H new ATOM 0 HB2 ASP A 51 6.482 -5.841 -1.688 1.00 64.14 H new ATOM 0 HB3 ASP A 51 6.385 -6.793 -0.220 1.00 64.14 H new ATOM 772 N LEU A 52 8.043 -7.785 -2.772 1.00 42.34 N ATOM 773 CA LEU A 52 8.099 -9.025 -3.539 1.00 52.52 C ATOM 774 C LEU A 52 9.130 -8.926 -4.659 1.00 73.32 C ATOM 775 O LEU A 52 9.627 -7.842 -4.967 1.00 15.11 O ATOM 776 CB LEU A 52 6.723 -9.348 -4.124 1.00 52.20 C ATOM 777 CG LEU A 52 5.974 -10.512 -3.474 1.00 51.22 C ATOM 778 CD1 LEU A 52 4.643 -10.747 -4.172 1.00 43.51 C ATOM 779 CD2 LEU A 52 6.823 -11.774 -3.502 1.00 70.32 C ATOM 0 H LEU A 52 7.614 -7.003 -3.266 1.00 42.34 H new ATOM 0 HA LEU A 52 8.398 -9.828 -2.865 1.00 52.52 H new ATOM 0 HB2 LEU A 52 6.101 -8.456 -4.051 1.00 52.20 H new ATOM 0 HB3 LEU A 52 6.844 -9.567 -5.185 1.00 52.20 H new ATOM 0 HG LEU A 52 5.775 -10.255 -2.434 1.00 51.22 H new ATOM 0 HD11 LEU A 52 4.124 -11.579 -3.696 1.00 43.51 H new ATOM 0 HD12 LEU A 52 4.031 -9.848 -4.100 1.00 43.51 H new ATOM 0 HD13 LEU A 52 4.819 -10.982 -5.222 1.00 43.51 H new ATOM 0 HD21 LEU A 52 6.274 -12.592 -3.035 1.00 70.32 H new ATOM 0 HD22 LEU A 52 7.054 -12.034 -4.535 1.00 70.32 H new ATOM 0 HD23 LEU A 52 7.750 -11.601 -2.956 1.00 70.32 H new ATOM 791 N LEU A 53 9.445 -10.064 -5.267 1.00 24.51 N ATOM 792 CA LEU A 53 10.416 -10.107 -6.355 1.00 72.14 C ATOM 793 C LEU A 53 10.078 -11.219 -7.343 1.00 72.21 C ATOM 794 O LEU A 53 9.726 -12.330 -6.947 1.00 34.24 O ATOM 795 CB LEU A 53 11.826 -10.314 -5.800 1.00 10.11 C ATOM 796 CG LEU A 53 12.900 -10.696 -6.819 1.00 75.54 C ATOM 797 CD1 LEU A 53 13.078 -9.590 -7.848 1.00 34.24 C ATOM 798 CD2 LEU A 53 14.218 -10.994 -6.120 1.00 34.03 C ATOM 0 H LEU A 53 9.042 -10.969 -5.025 1.00 24.51 H new ATOM 0 HA LEU A 53 10.376 -9.153 -6.882 1.00 72.14 H new ATOM 0 HB2 LEU A 53 12.137 -9.396 -5.302 1.00 10.11 H new ATOM 0 HB3 LEU A 53 11.784 -11.092 -5.038 1.00 10.11 H new ATOM 0 HG LEU A 53 12.576 -11.598 -7.338 1.00 75.54 H new ATOM 0 HD11 LEU A 53 13.846 -9.880 -8.565 1.00 34.24 H new ATOM 0 HD12 LEU A 53 12.136 -9.426 -8.372 1.00 34.24 H new ATOM 0 HD13 LEU A 53 13.379 -8.671 -7.346 1.00 34.24 H new ATOM 0 HD21 LEU A 53 14.970 -11.264 -6.861 1.00 34.03 H new ATOM 0 HD22 LEU A 53 14.548 -10.110 -5.573 1.00 34.03 H new ATOM 0 HD23 LEU A 53 14.082 -11.821 -5.424 1.00 34.03 H new ATOM 810 N VAL A 54 10.189 -10.913 -8.632 1.00 23.22 N ATOM 811 CA VAL A 54 9.899 -11.888 -9.677 1.00 12.51 C ATOM 812 C VAL A 54 10.959 -11.851 -10.772 1.00 55.13 C ATOM 813 O VAL A 54 11.072 -10.872 -11.510 1.00 54.44 O ATOM 814 CB VAL A 54 8.516 -11.639 -10.307 1.00 53.13 C ATOM 815 CG1 VAL A 54 8.165 -12.753 -11.282 1.00 33.04 C ATOM 816 CG2 VAL A 54 7.453 -11.511 -9.226 1.00 42.42 C ATOM 0 H VAL A 54 10.478 -9.998 -8.978 1.00 23.22 H new ATOM 0 HA VAL A 54 9.903 -12.870 -9.205 1.00 12.51 H new ATOM 0 HB VAL A 54 8.552 -10.701 -10.861 1.00 53.13 H new ATOM 0 HG11 VAL A 54 7.184 -12.560 -11.717 1.00 33.04 H new ATOM 0 HG12 VAL A 54 8.912 -12.792 -12.074 1.00 33.04 H new ATOM 0 HG13 VAL A 54 8.146 -13.706 -10.754 1.00 33.04 H new ATOM 0 HG21 VAL A 54 6.482 -11.335 -9.689 1.00 42.42 H new ATOM 0 HG22 VAL A 54 7.415 -12.431 -8.642 1.00 42.42 H new ATOM 0 HG23 VAL A 54 7.699 -10.675 -8.571 1.00 42.42 H new ATOM 826 N THR A 55 11.735 -12.926 -10.874 1.00 15.43 N ATOM 827 CA THR A 55 12.786 -13.017 -11.879 1.00 2.15 C ATOM 828 C THR A 55 12.890 -14.431 -12.439 1.00 11.21 C ATOM 829 O THR A 55 12.721 -15.412 -11.714 1.00 5.24 O ATOM 830 CB THR A 55 14.153 -12.604 -11.300 1.00 60.54 C ATOM 831 OG1 THR A 55 15.174 -12.773 -12.290 1.00 25.45 O ATOM 832 CG2 THR A 55 14.491 -13.431 -10.069 1.00 1.34 C ATOM 0 H THR A 55 11.655 -13.746 -10.272 1.00 15.43 H new ATOM 0 HA THR A 55 12.517 -12.330 -12.682 1.00 2.15 H new ATOM 0 HB THR A 55 14.099 -11.555 -11.009 1.00 60.54 H new ATOM 0 HG1 THR A 55 16.040 -12.507 -11.916 1.00 25.45 H new ATOM 0 HG21 THR A 55 15.460 -13.122 -9.678 1.00 1.34 H new ATOM 0 HG22 THR A 55 13.727 -13.278 -9.307 1.00 1.34 H new ATOM 0 HG23 THR A 55 14.529 -14.486 -10.339 1.00 1.34 H new ATOM 840 N THR A 56 13.169 -14.530 -13.735 1.00 2.11 N ATOM 841 CA THR A 56 13.295 -15.824 -14.393 1.00 21.21 C ATOM 842 C THR A 56 14.474 -16.613 -13.834 1.00 11.21 C ATOM 843 O THR A 56 14.416 -17.837 -13.719 1.00 55.41 O ATOM 844 CB THR A 56 13.473 -15.666 -15.915 1.00 4.14 C ATOM 845 OG1 THR A 56 14.793 -15.192 -16.207 1.00 13.14 O ATOM 846 CG2 THR A 56 12.445 -14.700 -16.482 1.00 53.44 C ATOM 0 H THR A 56 13.312 -13.729 -14.350 1.00 2.11 H new ATOM 0 HA THR A 56 12.371 -16.369 -14.197 1.00 21.21 H new ATOM 0 HB THR A 56 13.327 -16.641 -16.379 1.00 4.14 H new ATOM 0 HG1 THR A 56 14.899 -15.096 -17.176 1.00 13.14 H new ATOM 0 HG21 THR A 56 12.590 -14.604 -17.558 1.00 53.44 H new ATOM 0 HG22 THR A 56 11.442 -15.078 -16.283 1.00 53.44 H new ATOM 0 HG23 THR A 56 12.565 -13.724 -16.012 1.00 53.44 H new ATOM 854 N ALA A 57 15.543 -15.904 -13.487 1.00 11.42 N ATOM 855 CA ALA A 57 16.735 -16.538 -12.937 1.00 13.30 C ATOM 856 C ALA A 57 16.781 -16.396 -11.419 1.00 45.44 C ATOM 857 O ALA A 57 15.819 -15.944 -10.799 1.00 64.11 O ATOM 858 CB ALA A 57 17.986 -15.942 -13.564 1.00 5.43 C ATOM 0 H ALA A 57 15.608 -14.890 -13.577 1.00 11.42 H new ATOM 0 HA ALA A 57 16.695 -17.601 -13.175 1.00 13.30 H new ATOM 0 HB1 ALA A 57 18.869 -16.425 -13.144 1.00 5.43 H new ATOM 0 HB2 ALA A 57 17.964 -16.101 -14.642 1.00 5.43 H new ATOM 0 HB3 ALA A 57 18.023 -14.873 -13.356 1.00 5.43 H new ATOM 864 N MET A 58 17.906 -16.785 -10.828 1.00 1.33 N ATOM 865 CA MET A 58 18.077 -16.700 -9.382 1.00 45.20 C ATOM 866 C MET A 58 19.536 -16.437 -9.022 1.00 24.50 C ATOM 867 O MET A 58 20.386 -16.284 -9.900 1.00 51.23 O ATOM 868 CB MET A 58 17.599 -17.990 -8.714 1.00 22.14 C ATOM 869 CG MET A 58 18.476 -19.194 -9.018 1.00 5.40 C ATOM 870 SD MET A 58 18.039 -20.639 -8.033 1.00 2.14 S ATOM 871 CE MET A 58 17.356 -21.714 -9.292 1.00 43.53 C ATOM 0 H MET A 58 18.712 -17.162 -11.327 1.00 1.33 H new ATOM 0 HA MET A 58 17.476 -15.867 -9.018 1.00 45.20 H new ATOM 0 HB2 MET A 58 17.565 -17.839 -7.635 1.00 22.14 H new ATOM 0 HB3 MET A 58 16.580 -18.202 -9.039 1.00 22.14 H new ATOM 0 HG2 MET A 58 18.392 -19.442 -10.076 1.00 5.40 H new ATOM 0 HG3 MET A 58 19.519 -18.935 -8.833 1.00 5.40 H new ATOM 0 HE1 MET A 58 17.039 -22.652 -8.837 1.00 43.53 H new ATOM 0 HE2 MET A 58 16.498 -21.229 -9.758 1.00 43.53 H new ATOM 0 HE3 MET A 58 18.114 -21.916 -10.049 1.00 43.53 H new ATOM 881 N THR A 59 19.821 -16.387 -7.724 1.00 44.04 N ATOM 882 CA THR A 59 21.177 -16.142 -7.249 1.00 11.34 C ATOM 883 C THR A 59 21.523 -17.057 -6.080 1.00 2.35 C ATOM 884 O THR A 59 20.673 -17.796 -5.583 1.00 0.12 O ATOM 885 CB THR A 59 21.362 -14.676 -6.811 1.00 64.43 C ATOM 886 OG1 THR A 59 22.747 -14.411 -6.561 1.00 62.32 O ATOM 887 CG2 THR A 59 20.550 -14.378 -5.560 1.00 53.05 C ATOM 0 H THR A 59 19.131 -16.513 -6.984 1.00 44.04 H new ATOM 0 HA THR A 59 21.847 -16.352 -8.082 1.00 11.34 H new ATOM 0 HB THR A 59 21.008 -14.032 -7.616 1.00 64.43 H new ATOM 0 HG1 THR A 59 22.857 -13.477 -6.285 1.00 62.32 H new ATOM 0 HG21 THR A 59 20.697 -13.338 -5.270 1.00 53.05 H new ATOM 0 HG22 THR A 59 19.493 -14.553 -5.762 1.00 53.05 H new ATOM 0 HG23 THR A 59 20.877 -15.030 -4.750 1.00 53.05 H new ATOM 895 N LYS A 60 22.777 -17.002 -5.643 1.00 30.31 N ATOM 896 CA LYS A 60 23.237 -17.825 -4.530 1.00 55.31 C ATOM 897 C LYS A 60 22.827 -17.211 -3.195 1.00 22.21 C ATOM 898 O LYS A 60 22.501 -17.925 -2.246 1.00 12.51 O ATOM 899 CB LYS A 60 24.757 -17.988 -4.584 1.00 2.14 C ATOM 900 CG LYS A 60 25.284 -19.082 -3.671 1.00 0.43 C ATOM 901 CD LYS A 60 24.909 -20.463 -4.181 1.00 44.24 C ATOM 902 CE LYS A 60 25.532 -21.559 -3.331 1.00 64.31 C ATOM 903 NZ LYS A 60 24.952 -21.596 -1.960 1.00 54.34 N ATOM 0 H LYS A 60 23.493 -16.396 -6.043 1.00 30.31 H new ATOM 0 HA LYS A 60 22.770 -18.806 -4.618 1.00 55.31 H new ATOM 0 HB2 LYS A 60 25.054 -18.208 -5.609 1.00 2.14 H new ATOM 0 HB3 LYS A 60 25.225 -17.042 -4.312 1.00 2.14 H new ATOM 0 HG2 LYS A 60 26.369 -19.003 -3.596 1.00 0.43 H new ATOM 0 HG3 LYS A 60 24.884 -18.943 -2.667 1.00 0.43 H new ATOM 0 HD2 LYS A 60 23.824 -20.571 -4.178 1.00 44.24 H new ATOM 0 HD3 LYS A 60 25.237 -20.572 -5.215 1.00 44.24 H new ATOM 0 HE2 LYS A 60 25.381 -22.524 -3.815 1.00 64.31 H new ATOM 0 HE3 LYS A 60 26.608 -21.400 -3.266 1.00 64.31 H new ATOM 0 HZ1 LYS A 60 25.354 -22.398 -1.435 1.00 54.34 H new ATOM 0 HZ2 LYS A 60 25.177 -20.710 -1.464 1.00 54.34 H new ATOM 0 HZ3 LYS A 60 23.920 -21.705 -2.023 1.00 54.34 H new ATOM 917 N LYS A 61 22.845 -15.884 -3.128 1.00 63.33 N ATOM 918 CA LYS A 61 22.473 -15.174 -1.911 1.00 5.34 C ATOM 919 C LYS A 61 21.116 -15.645 -1.399 1.00 1.15 C ATOM 920 O LYS A 61 20.376 -16.323 -2.110 1.00 51.34 O ATOM 921 CB LYS A 61 22.438 -13.665 -2.166 1.00 63.24 C ATOM 922 CG LYS A 61 23.754 -12.967 -1.869 1.00 11.03 C ATOM 923 CD LYS A 61 24.731 -13.102 -3.025 1.00 11.14 C ATOM 924 CE LYS A 61 25.649 -14.300 -2.841 1.00 62.42 C ATOM 925 NZ LYS A 61 26.903 -13.934 -2.127 1.00 24.13 N ATOM 0 H LYS A 61 23.114 -15.278 -3.904 1.00 63.33 H new ATOM 0 HA LYS A 61 23.224 -15.391 -1.151 1.00 5.34 H new ATOM 0 HB2 LYS A 61 22.169 -13.487 -3.207 1.00 63.24 H new ATOM 0 HB3 LYS A 61 21.654 -13.220 -1.554 1.00 63.24 H new ATOM 0 HG2 LYS A 61 23.570 -11.912 -1.669 1.00 11.03 H new ATOM 0 HG3 LYS A 61 24.196 -13.390 -0.967 1.00 11.03 H new ATOM 0 HD2 LYS A 61 24.179 -13.205 -3.959 1.00 11.14 H new ATOM 0 HD3 LYS A 61 25.328 -12.194 -3.106 1.00 11.14 H new ATOM 0 HE2 LYS A 61 25.126 -15.076 -2.282 1.00 62.42 H new ATOM 0 HE3 LYS A 61 25.896 -14.721 -3.816 1.00 62.42 H new ATOM 0 HZ1 LYS A 61 27.501 -14.778 -2.022 1.00 24.13 H new ATOM 0 HZ2 LYS A 61 27.415 -13.212 -2.673 1.00 24.13 H new ATOM 0 HZ3 LYS A 61 26.669 -13.556 -1.187 1.00 24.13 H new ATOM 939 N GLU A 62 20.796 -15.280 -0.161 1.00 23.01 N ATOM 940 CA GLU A 62 19.527 -15.666 0.445 1.00 41.13 C ATOM 941 C GLU A 62 18.560 -14.486 0.479 1.00 74.34 C ATOM 942 O GLU A 62 18.759 -13.527 1.225 1.00 34.50 O ATOM 943 CB GLU A 62 19.753 -16.195 1.862 1.00 21.34 C ATOM 944 CG GLU A 62 18.683 -17.170 2.326 1.00 43.41 C ATOM 945 CD GLU A 62 18.688 -17.369 3.829 1.00 15.11 C ATOM 946 OE1 GLU A 62 18.257 -18.448 4.286 1.00 25.24 O ATOM 947 OE2 GLU A 62 19.122 -16.444 4.548 1.00 35.52 O ATOM 0 H GLU A 62 21.398 -14.718 0.441 1.00 23.01 H new ATOM 0 HA GLU A 62 19.088 -16.456 -0.164 1.00 41.13 H new ATOM 0 HB2 GLU A 62 20.725 -16.687 1.906 1.00 21.34 H new ATOM 0 HB3 GLU A 62 19.790 -15.353 2.553 1.00 21.34 H new ATOM 0 HG2 GLU A 62 17.704 -16.805 2.015 1.00 43.41 H new ATOM 0 HG3 GLU A 62 18.835 -18.131 1.835 1.00 43.41 H new ATOM 954 N TYR A 63 17.513 -14.564 -0.335 1.00 34.20 N ATOM 955 CA TYR A 63 16.515 -13.503 -0.401 1.00 43.51 C ATOM 956 C TYR A 63 15.669 -13.470 0.868 1.00 61.21 C ATOM 957 O TYR A 63 15.455 -14.497 1.512 1.00 33.23 O ATOM 958 CB TYR A 63 15.615 -13.695 -1.623 1.00 3.11 C ATOM 959 CG TYR A 63 16.320 -13.452 -2.938 1.00 40.23 C ATOM 960 CD1 TYR A 63 16.582 -14.500 -3.812 1.00 51.34 C ATOM 961 CD2 TYR A 63 16.725 -12.175 -3.307 1.00 12.22 C ATOM 962 CE1 TYR A 63 17.226 -14.283 -5.015 1.00 41.31 C ATOM 963 CE2 TYR A 63 17.368 -11.948 -4.508 1.00 61.20 C ATOM 964 CZ TYR A 63 17.617 -13.005 -5.359 1.00 32.24 C ATOM 965 OH TYR A 63 18.259 -12.784 -6.555 1.00 53.25 O ATOM 0 H TYR A 63 17.333 -15.351 -0.958 1.00 34.20 H new ATOM 0 HA TYR A 63 17.039 -12.552 -0.491 1.00 43.51 H new ATOM 0 HB2 TYR A 63 15.218 -14.710 -1.615 1.00 3.11 H new ATOM 0 HB3 TYR A 63 14.763 -13.019 -1.546 1.00 3.11 H new ATOM 0 HD1 TYR A 63 16.277 -15.501 -3.546 1.00 51.34 H new ATOM 0 HD2 TYR A 63 16.534 -11.345 -2.643 1.00 12.22 H new ATOM 0 HE1 TYR A 63 17.422 -15.109 -5.682 1.00 41.31 H new ATOM 0 HE2 TYR A 63 17.674 -10.949 -4.780 1.00 61.20 H new ATOM 0 HH TYR A 63 18.465 -11.830 -6.644 1.00 53.25 H new ATOM 975 N LYS A 64 15.189 -12.283 1.221 1.00 5.51 N ATOM 976 CA LYS A 64 14.364 -12.113 2.411 1.00 25.14 C ATOM 977 C LYS A 64 12.886 -12.038 2.043 1.00 43.24 C ATOM 978 O LYS A 64 12.120 -11.294 2.656 1.00 63.20 O ATOM 979 CB LYS A 64 14.777 -10.848 3.167 1.00 25.35 C ATOM 980 CG LYS A 64 16.156 -10.939 3.798 1.00 65.35 C ATOM 981 CD LYS A 64 16.472 -9.707 4.628 1.00 4.14 C ATOM 982 CE LYS A 64 16.869 -10.079 6.049 1.00 74.00 C ATOM 983 NZ LYS A 64 18.347 -10.077 6.231 1.00 35.31 N ATOM 0 H LYS A 64 15.357 -11.423 0.699 1.00 5.51 H new ATOM 0 HA LYS A 64 14.516 -12.980 3.054 1.00 25.14 H new ATOM 0 HB2 LYS A 64 14.756 -10.002 2.481 1.00 25.35 H new ATOM 0 HB3 LYS A 64 14.043 -10.645 3.946 1.00 25.35 H new ATOM 0 HG2 LYS A 64 16.211 -11.827 4.428 1.00 65.35 H new ATOM 0 HG3 LYS A 64 16.907 -11.055 3.017 1.00 65.35 H new ATOM 0 HD2 LYS A 64 17.281 -9.148 4.158 1.00 4.14 H new ATOM 0 HD3 LYS A 64 15.602 -9.050 4.652 1.00 4.14 H new ATOM 0 HE2 LYS A 64 16.416 -9.376 6.748 1.00 74.00 H new ATOM 0 HE3 LYS A 64 16.475 -11.066 6.289 1.00 74.00 H new ATOM 0 HZ1 LYS A 64 18.576 -10.335 7.212 1.00 35.31 H new ATOM 0 HZ2 LYS A 64 18.778 -10.766 5.582 1.00 35.31 H new ATOM 0 HZ3 LYS A 64 18.721 -9.128 6.027 1.00 35.31 H new ATOM 997 N PHE A 65 12.491 -12.813 1.038 1.00 25.11 N ATOM 998 CA PHE A 65 11.104 -12.834 0.588 1.00 25.43 C ATOM 999 C PHE A 65 10.845 -14.035 -0.317 1.00 34.23 C ATOM 1000 O PHE A 65 11.759 -14.607 -0.909 1.00 65.54 O ATOM 1001 CB PHE A 65 10.767 -11.540 -0.154 1.00 11.41 C ATOM 1002 CG PHE A 65 11.866 -11.065 -1.062 1.00 34.05 C ATOM 1003 CD1 PHE A 65 12.485 -9.845 -0.842 1.00 71.23 C ATOM 1004 CD2 PHE A 65 12.279 -11.839 -2.134 1.00 54.32 C ATOM 1005 CE1 PHE A 65 13.496 -9.406 -1.675 1.00 45.44 C ATOM 1006 CE2 PHE A 65 13.290 -11.405 -2.970 1.00 52.43 C ATOM 1007 CZ PHE A 65 13.899 -10.186 -2.741 1.00 73.14 C ATOM 0 H PHE A 65 13.112 -13.435 0.520 1.00 25.11 H new ATOM 0 HA PHE A 65 10.464 -12.918 1.466 1.00 25.43 H new ATOM 0 HB2 PHE A 65 9.862 -11.693 -0.742 1.00 11.41 H new ATOM 0 HB3 PHE A 65 10.546 -10.760 0.575 1.00 11.41 H new ATOM 0 HD1 PHE A 65 12.174 -9.231 -0.010 1.00 71.23 H new ATOM 0 HD2 PHE A 65 11.806 -12.792 -2.318 1.00 54.32 H new ATOM 0 HE1 PHE A 65 13.971 -8.453 -1.493 1.00 45.44 H new ATOM 0 HE2 PHE A 65 13.604 -12.018 -3.802 1.00 52.43 H new ATOM 0 HZ PHE A 65 14.688 -9.844 -3.394 1.00 73.14 H new ATOM 1017 N PRO A 66 9.567 -14.427 -0.426 1.00 35.30 N ATOM 1018 CA PRO A 66 9.155 -15.563 -1.256 1.00 63.32 C ATOM 1019 C PRO A 66 9.296 -15.273 -2.747 1.00 22.14 C ATOM 1020 O PRO A 66 8.318 -14.954 -3.422 1.00 71.35 O ATOM 1021 CB PRO A 66 7.683 -15.758 -0.886 1.00 71.43 C ATOM 1022 CG PRO A 66 7.231 -14.420 -0.412 1.00 71.32 C ATOM 1023 CD PRO A 66 8.424 -13.792 0.252 1.00 4.50 C ATOM 0 HA PRO A 66 9.773 -16.443 -1.078 1.00 63.32 H new ATOM 0 HB2 PRO A 66 7.100 -16.092 -1.744 1.00 71.43 H new ATOM 0 HB3 PRO A 66 7.567 -16.513 -0.109 1.00 71.43 H new ATOM 0 HG2 PRO A 66 6.881 -13.809 -1.244 1.00 71.32 H new ATOM 0 HG3 PRO A 66 6.400 -14.514 0.287 1.00 71.32 H new ATOM 0 HD2 PRO A 66 8.432 -12.710 0.124 1.00 4.50 H new ATOM 0 HD3 PRO A 66 8.435 -13.986 1.325 1.00 4.50 H new ATOM 1031 N VAL A 67 10.520 -15.386 -3.254 1.00 32.12 N ATOM 1032 CA VAL A 67 10.788 -15.137 -4.665 1.00 63.41 C ATOM 1033 C VAL A 67 9.859 -15.956 -5.554 1.00 22.50 C ATOM 1034 O VAL A 67 9.472 -17.072 -5.204 1.00 4.25 O ATOM 1035 CB VAL A 67 12.249 -15.468 -5.025 1.00 71.03 C ATOM 1036 CG1 VAL A 67 12.531 -15.125 -6.480 1.00 71.42 C ATOM 1037 CG2 VAL A 67 13.205 -14.731 -4.100 1.00 43.33 C ATOM 0 H VAL A 67 11.341 -15.648 -2.708 1.00 32.12 H new ATOM 0 HA VAL A 67 10.610 -14.076 -4.839 1.00 63.41 H new ATOM 0 HB VAL A 67 12.404 -16.539 -4.892 1.00 71.03 H new ATOM 0 HG11 VAL A 67 13.568 -15.365 -6.716 1.00 71.42 H new ATOM 0 HG12 VAL A 67 11.869 -15.702 -7.125 1.00 71.42 H new ATOM 0 HG13 VAL A 67 12.359 -14.061 -6.643 1.00 71.42 H new ATOM 0 HG21 VAL A 67 14.233 -14.976 -4.368 1.00 43.33 H new ATOM 0 HG22 VAL A 67 13.051 -13.656 -4.199 1.00 43.33 H new ATOM 0 HG23 VAL A 67 13.018 -15.031 -3.069 1.00 43.33 H new ATOM 1047 N ILE A 68 9.505 -15.396 -6.706 1.00 22.15 N ATOM 1048 CA ILE A 68 8.623 -16.076 -7.646 1.00 14.43 C ATOM 1049 C ILE A 68 9.216 -16.082 -9.051 1.00 14.55 C ATOM 1050 O ILE A 68 9.294 -15.044 -9.706 1.00 52.25 O ATOM 1051 CB ILE A 68 7.232 -15.415 -7.690 1.00 60.14 C ATOM 1052 CG1 ILE A 68 6.683 -15.235 -6.274 1.00 3.44 C ATOM 1053 CG2 ILE A 68 6.277 -16.248 -8.532 1.00 71.01 C ATOM 1054 CD1 ILE A 68 6.498 -16.537 -5.527 1.00 75.01 C ATOM 0 H ILE A 68 9.816 -14.473 -7.011 1.00 22.15 H new ATOM 0 HA ILE A 68 8.518 -17.103 -7.295 1.00 14.43 H new ATOM 0 HB ILE A 68 7.328 -14.431 -8.149 1.00 60.14 H new ATOM 0 HG12 ILE A 68 7.361 -14.595 -5.709 1.00 3.44 H new ATOM 0 HG13 ILE A 68 5.725 -14.717 -6.328 1.00 3.44 H new ATOM 0 HG21 ILE A 68 5.298 -15.769 -8.554 1.00 71.01 H new ATOM 0 HG22 ILE A 68 6.664 -16.329 -9.548 1.00 71.01 H new ATOM 0 HG23 ILE A 68 6.184 -17.244 -8.098 1.00 71.01 H new ATOM 0 HD11 ILE A 68 6.106 -16.332 -4.531 1.00 75.01 H new ATOM 0 HD12 ILE A 68 5.797 -17.171 -6.070 1.00 75.01 H new ATOM 0 HD13 ILE A 68 7.458 -17.047 -5.442 1.00 75.01 H new ATOM 1066 N ASN A 69 9.631 -17.259 -9.507 1.00 12.23 N ATOM 1067 CA ASN A 69 10.216 -17.401 -10.835 1.00 51.40 C ATOM 1068 C ASN A 69 9.312 -16.781 -11.897 1.00 31.34 C ATOM 1069 O ASN A 69 8.110 -17.043 -11.932 1.00 11.30 O ATOM 1070 CB ASN A 69 10.458 -18.877 -11.154 1.00 32.45 C ATOM 1071 CG ASN A 69 11.648 -19.084 -12.070 1.00 40.24 C ATOM 1072 OD1 ASN A 69 11.987 -18.212 -12.871 1.00 24.31 O ATOM 1073 ND2 ASN A 69 12.288 -20.242 -11.957 1.00 41.31 N ATOM 0 H ASN A 69 9.573 -18.128 -8.977 1.00 12.23 H new ATOM 0 HA ASN A 69 11.170 -16.874 -10.842 1.00 51.40 H new ATOM 0 HB2 ASN A 69 10.618 -19.425 -10.225 1.00 32.45 H new ATOM 0 HB3 ASN A 69 9.567 -19.296 -11.621 1.00 32.45 H new ATOM 0 HD21 ASN A 69 13.096 -20.438 -12.548 1.00 41.31 H new ATOM 0 HD22 ASN A 69 11.972 -20.935 -11.279 1.00 41.31 H new ATOM 1080 N ALA A 70 9.900 -15.960 -12.760 1.00 55.14 N ATOM 1081 CA ALA A 70 9.148 -15.305 -13.824 1.00 64.54 C ATOM 1082 C ALA A 70 9.250 -16.088 -15.129 1.00 43.34 C ATOM 1083 O ALA A 70 9.278 -15.504 -16.213 1.00 62.32 O ATOM 1084 CB ALA A 70 9.644 -13.880 -14.021 1.00 30.42 C ATOM 0 H ALA A 70 10.894 -15.732 -12.744 1.00 55.14 H new ATOM 0 HA ALA A 70 8.099 -15.275 -13.529 1.00 64.54 H new ATOM 0 HB1 ALA A 70 9.074 -13.403 -14.818 1.00 30.42 H new ATOM 0 HB2 ALA A 70 9.514 -13.318 -13.096 1.00 30.42 H new ATOM 0 HB3 ALA A 70 10.700 -13.896 -14.290 1.00 30.42 H new ATOM 1090 N ARG A 71 9.306 -17.411 -15.018 1.00 43.20 N ATOM 1091 CA ARG A 71 9.407 -18.273 -16.190 1.00 3.43 C ATOM 1092 C ARG A 71 8.117 -18.236 -17.004 1.00 64.11 C ATOM 1093 O ARG A 71 8.144 -18.316 -18.231 1.00 44.44 O ATOM 1094 CB ARG A 71 9.716 -19.710 -15.767 1.00 34.12 C ATOM 1095 CG ARG A 71 11.169 -19.933 -15.381 1.00 13.03 C ATOM 1096 CD ARG A 71 11.758 -21.136 -16.101 1.00 1.24 C ATOM 1097 NE ARG A 71 11.630 -21.023 -17.551 1.00 13.30 N ATOM 1098 CZ ARG A 71 11.733 -22.055 -18.381 1.00 5.24 C ATOM 1099 NH1 ARG A 71 11.966 -23.271 -17.906 1.00 14.33 N ATOM 1100 NH2 ARG A 71 11.604 -21.872 -19.689 1.00 5.15 N ATOM 0 H ARG A 71 9.283 -17.910 -14.128 1.00 43.20 H new ATOM 0 HA ARG A 71 10.220 -17.903 -16.814 1.00 3.43 H new ATOM 0 HB2 ARG A 71 9.080 -19.976 -14.923 1.00 34.12 H new ATOM 0 HB3 ARG A 71 9.459 -20.384 -16.584 1.00 34.12 H new ATOM 0 HG2 ARG A 71 11.751 -19.043 -15.621 1.00 13.03 H new ATOM 0 HG3 ARG A 71 11.242 -20.081 -14.304 1.00 13.03 H new ATOM 0 HD2 ARG A 71 12.811 -21.237 -15.837 1.00 1.24 H new ATOM 0 HD3 ARG A 71 11.256 -22.042 -15.762 1.00 1.24 H new ATOM 0 HE ARG A 71 11.452 -20.101 -17.949 1.00 13.30 H new ATOM 0 HH11 ARG A 71 12.067 -23.415 -16.901 1.00 14.33 H new ATOM 0 HH12 ARG A 71 12.045 -24.062 -18.545 1.00 14.33 H new ATOM 0 HH21 ARG A 71 11.426 -20.938 -20.058 1.00 5.15 H new ATOM 0 HH22 ARG A 71 11.683 -22.665 -20.325 1.00 5.15 H new ATOM 1114 N ASN A 72 6.989 -18.116 -16.311 1.00 65.04 N ATOM 1115 CA ASN A 72 5.689 -18.070 -16.970 1.00 62.33 C ATOM 1116 C ASN A 72 5.596 -16.870 -17.908 1.00 23.22 C ATOM 1117 O ASN A 72 4.910 -16.918 -18.929 1.00 15.15 O ATOM 1118 CB ASN A 72 4.569 -18.007 -15.930 1.00 0.21 C ATOM 1119 CG ASN A 72 4.496 -19.261 -15.081 1.00 64.42 C ATOM 1120 OD1 ASN A 72 5.431 -19.582 -14.346 1.00 55.11 O ATOM 1121 ND2 ASN A 72 3.383 -19.979 -15.180 1.00 1.53 N ATOM 0 H ASN A 72 6.949 -18.049 -15.294 1.00 65.04 H new ATOM 0 HA ASN A 72 5.577 -18.979 -17.561 1.00 62.33 H new ATOM 0 HB2 ASN A 72 4.725 -17.143 -15.284 1.00 0.21 H new ATOM 0 HB3 ASN A 72 3.615 -17.858 -16.436 1.00 0.21 H new ATOM 0 HD21 ASN A 72 3.278 -20.834 -14.634 1.00 1.53 H new ATOM 0 HD22 ASN A 72 2.634 -19.675 -15.802 1.00 1.53 H new ATOM 1128 N PHE A 73 6.293 -15.795 -17.554 1.00 73.04 N ATOM 1129 CA PHE A 73 6.289 -14.582 -18.364 1.00 10.24 C ATOM 1130 C PHE A 73 7.416 -14.610 -19.392 1.00 31.51 C ATOM 1131 O PHE A 73 8.134 -13.626 -19.571 1.00 55.52 O ATOM 1132 CB PHE A 73 6.430 -13.347 -17.471 1.00 35.45 C ATOM 1133 CG PHE A 73 5.267 -13.144 -16.541 1.00 61.33 C ATOM 1134 CD1 PHE A 73 5.178 -13.856 -15.356 1.00 71.21 C ATOM 1135 CD2 PHE A 73 4.263 -12.242 -16.853 1.00 42.44 C ATOM 1136 CE1 PHE A 73 4.110 -13.671 -14.499 1.00 33.55 C ATOM 1137 CE2 PHE A 73 3.193 -12.052 -16.000 1.00 30.43 C ATOM 1138 CZ PHE A 73 3.115 -12.769 -14.821 1.00 64.04 C ATOM 0 H PHE A 73 6.867 -15.739 -16.713 1.00 73.04 H new ATOM 0 HA PHE A 73 5.338 -14.533 -18.894 1.00 10.24 H new ATOM 0 HB2 PHE A 73 7.344 -13.436 -16.883 1.00 35.45 H new ATOM 0 HB3 PHE A 73 6.540 -12.464 -18.100 1.00 35.45 H new ATOM 0 HD1 PHE A 73 5.952 -14.564 -15.099 1.00 71.21 H new ATOM 0 HD2 PHE A 73 4.317 -11.681 -17.774 1.00 42.44 H new ATOM 0 HE1 PHE A 73 4.053 -14.232 -13.578 1.00 33.55 H new ATOM 0 HE2 PHE A 73 2.418 -11.344 -16.254 1.00 30.43 H new ATOM 0 HZ PHE A 73 2.278 -12.624 -14.153 1.00 64.04 H new ATOM 1148 N LEU A 74 7.566 -15.746 -20.064 1.00 61.24 N ATOM 1149 CA LEU A 74 8.606 -15.905 -21.075 1.00 71.12 C ATOM 1150 C LEU A 74 7.995 -16.137 -22.453 1.00 72.23 C ATOM 1151 O LEU A 74 8.529 -15.684 -23.466 1.00 71.13 O ATOM 1152 CB LEU A 74 9.526 -17.071 -20.710 1.00 30.22 C ATOM 1153 CG LEU A 74 10.595 -16.778 -19.657 1.00 22.13 C ATOM 1154 CD1 LEU A 74 11.409 -18.028 -19.360 1.00 33.24 C ATOM 1155 CD2 LEU A 74 11.502 -15.647 -20.118 1.00 50.50 C ATOM 0 H LEU A 74 6.981 -16.570 -19.927 1.00 61.24 H new ATOM 0 HA LEU A 74 9.190 -14.985 -21.107 1.00 71.12 H new ATOM 0 HB2 LEU A 74 8.910 -17.896 -20.353 1.00 30.22 H new ATOM 0 HB3 LEU A 74 10.023 -17.414 -21.618 1.00 30.22 H new ATOM 0 HG LEU A 74 10.097 -16.467 -18.739 1.00 22.13 H new ATOM 0 HD11 LEU A 74 12.165 -17.800 -18.608 1.00 33.24 H new ATOM 0 HD12 LEU A 74 10.750 -18.811 -18.986 1.00 33.24 H new ATOM 0 HD13 LEU A 74 11.897 -18.370 -20.273 1.00 33.24 H new ATOM 0 HD21 LEU A 74 12.257 -15.452 -19.356 1.00 50.50 H new ATOM 0 HD22 LEU A 74 11.992 -15.930 -21.050 1.00 50.50 H new ATOM 0 HD23 LEU A 74 10.908 -14.747 -20.279 1.00 50.50 H new ATOM 1167 N THR A 75 6.870 -16.845 -22.485 1.00 14.23 N ATOM 1168 CA THR A 75 6.185 -17.136 -23.738 1.00 33.23 C ATOM 1169 C THR A 75 4.990 -16.211 -23.939 1.00 72.41 C ATOM 1170 O THR A 75 4.730 -15.750 -25.049 1.00 51.15 O ATOM 1171 CB THR A 75 5.702 -18.598 -23.787 1.00 60.22 C ATOM 1172 OG1 THR A 75 5.199 -18.992 -22.506 1.00 1.35 O ATOM 1173 CG2 THR A 75 6.833 -19.528 -24.201 1.00 51.31 C ATOM 0 H THR A 75 6.414 -17.228 -21.657 1.00 14.23 H new ATOM 0 HA THR A 75 6.906 -16.972 -24.538 1.00 33.23 H new ATOM 0 HB THR A 75 4.905 -18.669 -24.527 1.00 60.22 H new ATOM 0 HG1 THR A 75 5.545 -19.880 -22.278 1.00 1.35 H new ATOM 0 HG21 THR A 75 6.468 -20.555 -24.229 1.00 51.31 H new ATOM 0 HG22 THR A 75 7.194 -19.244 -25.190 1.00 51.31 H new ATOM 0 HG23 THR A 75 7.648 -19.452 -23.482 1.00 51.31 H new ATOM 1181 N GLY A 76 4.265 -15.944 -22.857 1.00 1.31 N ATOM 1182 CA GLY A 76 3.106 -15.074 -22.937 1.00 21.04 C ATOM 1183 C GLY A 76 1.850 -15.731 -22.398 1.00 44.34 C ATOM 1184 O GLY A 76 0.747 -15.459 -22.874 1.00 5.02 O ATOM 0 H GLY A 76 4.459 -16.314 -21.927 1.00 1.31 H new ATOM 0 HA2 GLY A 76 3.303 -14.159 -22.378 1.00 21.04 H new ATOM 0 HA3 GLY A 76 2.944 -14.784 -23.975 1.00 21.04 H new ATOM 1188 N ILE A 77 2.017 -16.598 -21.406 1.00 2.03 N ATOM 1189 CA ILE A 77 0.888 -17.295 -20.803 1.00 72.44 C ATOM 1190 C ILE A 77 1.232 -17.793 -19.403 1.00 51.45 C ATOM 1191 O ILE A 77 2.364 -17.651 -18.944 1.00 23.11 O ATOM 1192 CB ILE A 77 0.440 -18.491 -21.665 1.00 0.21 C ATOM 1193 CG1 ILE A 77 1.652 -19.163 -22.312 1.00 63.43 C ATOM 1194 CG2 ILE A 77 -0.551 -18.037 -22.727 1.00 5.13 C ATOM 1195 CD1 ILE A 77 2.656 -19.692 -21.312 1.00 31.33 C ATOM 0 H ILE A 77 2.923 -16.835 -21.003 1.00 2.03 H new ATOM 0 HA ILE A 77 0.071 -16.576 -20.739 1.00 72.44 H new ATOM 0 HB ILE A 77 -0.055 -19.219 -21.022 1.00 0.21 H new ATOM 0 HG12 ILE A 77 1.309 -19.985 -22.940 1.00 63.43 H new ATOM 0 HG13 ILE A 77 2.147 -18.447 -22.968 1.00 63.43 H new ATOM 0 HG21 ILE A 77 -0.858 -18.893 -23.328 1.00 5.13 H new ATOM 0 HG22 ILE A 77 -1.425 -17.599 -22.245 1.00 5.13 H new ATOM 0 HG23 ILE A 77 -0.080 -17.293 -23.370 1.00 5.13 H new ATOM 0 HD11 ILE A 77 3.488 -20.155 -21.842 1.00 31.33 H new ATOM 0 HD12 ILE A 77 3.028 -18.870 -20.700 1.00 31.33 H new ATOM 0 HD13 ILE A 77 2.176 -20.433 -20.672 1.00 31.33 H new ATOM 1207 N GLY A 78 0.246 -18.378 -18.730 1.00 50.11 N ATOM 1208 CA GLY A 78 0.465 -18.889 -17.390 1.00 34.33 C ATOM 1209 C GLY A 78 0.715 -17.785 -16.382 1.00 22.43 C ATOM 1210 O GLY A 78 1.535 -17.938 -15.476 1.00 3.42 O ATOM 0 H GLY A 78 -0.700 -18.507 -19.089 1.00 50.11 H new ATOM 0 HA2 GLY A 78 -0.403 -19.470 -17.080 1.00 34.33 H new ATOM 0 HA3 GLY A 78 1.317 -19.569 -17.398 1.00 34.33 H new ATOM 1214 N ILE A 79 0.009 -16.671 -16.539 1.00 42.15 N ATOM 1215 CA ILE A 79 0.160 -15.537 -15.636 1.00 22.22 C ATOM 1216 C ILE A 79 -0.764 -15.669 -14.430 1.00 3.32 C ATOM 1217 O ILE A 79 -0.423 -15.245 -13.326 1.00 24.51 O ATOM 1218 CB ILE A 79 -0.133 -14.205 -16.350 1.00 54.23 C ATOM 1219 CG1 ILE A 79 0.822 -14.012 -17.530 1.00 20.22 C ATOM 1220 CG2 ILE A 79 -0.019 -13.044 -15.374 1.00 1.22 C ATOM 1221 CD1 ILE A 79 0.535 -12.770 -18.344 1.00 15.14 C ATOM 0 H ILE A 79 -0.674 -16.529 -17.283 1.00 42.15 H new ATOM 0 HA ILE A 79 1.197 -15.538 -15.299 1.00 22.22 H new ATOM 0 HB ILE A 79 -1.153 -14.233 -16.733 1.00 54.23 H new ATOM 0 HG12 ILE A 79 1.844 -13.962 -17.155 1.00 20.22 H new ATOM 0 HG13 ILE A 79 0.763 -14.884 -18.181 1.00 20.22 H new ATOM 0 HG21 ILE A 79 -0.229 -12.109 -15.894 1.00 1.22 H new ATOM 0 HG22 ILE A 79 -0.736 -13.178 -14.564 1.00 1.22 H new ATOM 0 HG23 ILE A 79 0.990 -13.012 -14.963 1.00 1.22 H new ATOM 0 HD11 ILE A 79 1.251 -12.698 -19.163 1.00 15.14 H new ATOM 0 HD12 ILE A 79 -0.475 -12.826 -18.749 1.00 15.14 H new ATOM 0 HD13 ILE A 79 0.622 -11.890 -17.707 1.00 15.14 H new ATOM 1233 N GLU A 80 -1.934 -16.260 -14.649 1.00 41.02 N ATOM 1234 CA GLU A 80 -2.907 -16.448 -13.579 1.00 65.12 C ATOM 1235 C GLU A 80 -2.445 -17.531 -12.609 1.00 23.35 C ATOM 1236 O GLU A 80 -2.695 -17.449 -11.407 1.00 33.14 O ATOM 1237 CB GLU A 80 -4.273 -16.818 -14.161 1.00 3.23 C ATOM 1238 CG GLU A 80 -4.852 -15.754 -15.078 1.00 42.11 C ATOM 1239 CD GLU A 80 -6.301 -16.019 -15.437 1.00 60.11 C ATOM 1240 OE1 GLU A 80 -6.980 -16.733 -14.670 1.00 14.02 O ATOM 1241 OE2 GLU A 80 -6.755 -15.514 -16.484 1.00 55.44 O ATOM 0 H GLU A 80 -2.231 -16.617 -15.557 1.00 41.02 H new ATOM 0 HA GLU A 80 -2.995 -15.509 -13.033 1.00 65.12 H new ATOM 0 HB2 GLU A 80 -4.182 -17.752 -14.715 1.00 3.23 H new ATOM 0 HB3 GLU A 80 -4.970 -16.999 -13.343 1.00 3.23 H new ATOM 0 HG2 GLU A 80 -4.774 -14.781 -14.594 1.00 42.11 H new ATOM 0 HG3 GLU A 80 -4.259 -15.704 -15.991 1.00 42.11 H new ATOM 1248 N GLU A 81 -1.770 -18.546 -13.140 1.00 44.43 N ATOM 1249 CA GLU A 81 -1.274 -19.646 -12.321 1.00 53.42 C ATOM 1250 C GLU A 81 -0.250 -19.149 -11.305 1.00 11.11 C ATOM 1251 O GLU A 81 -0.160 -19.668 -10.192 1.00 22.12 O ATOM 1252 CB GLU A 81 -0.649 -20.727 -13.205 1.00 33.34 C ATOM 1253 CG GLU A 81 -1.669 -21.539 -13.987 1.00 4.43 C ATOM 1254 CD GLU A 81 -2.259 -22.673 -13.173 1.00 34.42 C ATOM 1255 OE1 GLU A 81 -2.191 -23.832 -13.632 1.00 61.34 O ATOM 1256 OE2 GLU A 81 -2.790 -22.402 -12.075 1.00 53.34 O ATOM 0 H GLU A 81 -1.554 -18.629 -14.133 1.00 44.43 H new ATOM 0 HA GLU A 81 -2.119 -20.073 -11.780 1.00 53.42 H new ATOM 0 HB2 GLU A 81 0.043 -20.257 -13.905 1.00 33.34 H new ATOM 0 HB3 GLU A 81 -0.062 -21.401 -12.581 1.00 33.34 H new ATOM 0 HG2 GLU A 81 -2.471 -20.882 -14.322 1.00 4.43 H new ATOM 0 HG3 GLU A 81 -1.196 -21.946 -14.881 1.00 4.43 H new ATOM 1263 N THR A 82 0.522 -18.139 -11.696 1.00 74.40 N ATOM 1264 CA THR A 82 1.541 -17.573 -10.822 1.00 14.14 C ATOM 1265 C THR A 82 0.997 -16.380 -10.044 1.00 54.22 C ATOM 1266 O THR A 82 1.375 -16.149 -8.896 1.00 3.33 O ATOM 1267 CB THR A 82 2.782 -17.129 -11.619 1.00 34.11 C ATOM 1268 OG1 THR A 82 3.289 -18.226 -12.387 1.00 33.33 O ATOM 1269 CG2 THR A 82 3.867 -16.611 -10.687 1.00 73.20 C ATOM 0 H THR A 82 0.460 -17.697 -12.613 1.00 74.40 H new ATOM 0 HA THR A 82 1.829 -18.358 -10.123 1.00 14.14 H new ATOM 0 HB THR A 82 2.486 -16.322 -12.290 1.00 34.11 H new ATOM 0 HG1 THR A 82 4.222 -18.051 -12.631 1.00 33.33 H new ATOM 0 HG21 THR A 82 4.733 -16.303 -11.273 1.00 73.20 H new ATOM 0 HG22 THR A 82 3.487 -15.758 -10.125 1.00 73.20 H new ATOM 0 HG23 THR A 82 4.159 -17.400 -9.994 1.00 73.20 H new ATOM 1277 N LYS A 83 0.105 -15.624 -10.677 1.00 25.02 N ATOM 1278 CA LYS A 83 -0.493 -14.455 -10.044 1.00 53.33 C ATOM 1279 C LYS A 83 -1.036 -14.802 -8.662 1.00 11.02 C ATOM 1280 O LYS A 83 -0.816 -14.070 -7.697 1.00 64.14 O ATOM 1281 CB LYS A 83 -1.617 -13.895 -10.919 1.00 72.34 C ATOM 1282 CG LYS A 83 -1.161 -12.803 -11.871 1.00 62.01 C ATOM 1283 CD LYS A 83 -0.810 -11.526 -11.127 1.00 12.43 C ATOM 1284 CE LYS A 83 -2.054 -10.831 -10.594 1.00 74.33 C ATOM 1285 NZ LYS A 83 -1.814 -9.385 -10.334 1.00 52.15 N ATOM 0 H LYS A 83 -0.219 -15.801 -11.628 1.00 25.02 H new ATOM 0 HA LYS A 83 0.283 -13.698 -9.930 1.00 53.33 H new ATOM 0 HB2 LYS A 83 -2.056 -14.709 -11.496 1.00 72.34 H new ATOM 0 HB3 LYS A 83 -2.404 -13.500 -10.276 1.00 72.34 H new ATOM 0 HG2 LYS A 83 -0.293 -13.148 -12.433 1.00 62.01 H new ATOM 0 HG3 LYS A 83 -1.949 -12.598 -12.596 1.00 62.01 H new ATOM 0 HD2 LYS A 83 -0.139 -11.758 -10.300 1.00 12.43 H new ATOM 0 HD3 LYS A 83 -0.272 -10.851 -11.793 1.00 12.43 H new ATOM 0 HE2 LYS A 83 -2.867 -10.941 -11.312 1.00 74.33 H new ATOM 0 HE3 LYS A 83 -2.375 -11.317 -9.673 1.00 74.33 H new ATOM 0 HZ1 LYS A 83 -2.712 -8.923 -10.086 1.00 52.15 H new ATOM 0 HZ2 LYS A 83 -1.142 -9.281 -9.547 1.00 52.15 H new ATOM 0 HZ3 LYS A 83 -1.420 -8.940 -11.187 1.00 52.15 H new ATOM 1299 N GLN A 84 -1.745 -15.923 -8.574 1.00 1.12 N ATOM 1300 CA GLN A 84 -2.318 -16.366 -7.308 1.00 61.44 C ATOM 1301 C GLN A 84 -1.266 -16.364 -6.204 1.00 70.41 C ATOM 1302 O GLN A 84 -1.522 -15.904 -5.092 1.00 32.52 O ATOM 1303 CB GLN A 84 -2.915 -17.767 -7.458 1.00 10.22 C ATOM 1304 CG GLN A 84 -1.980 -18.758 -8.132 1.00 53.02 C ATOM 1305 CD GLN A 84 -2.611 -20.124 -8.314 1.00 32.43 C ATOM 1306 OE1 GLN A 84 -2.686 -20.643 -9.428 1.00 32.31 O ATOM 1307 NE2 GLN A 84 -3.069 -20.716 -7.216 1.00 51.25 N ATOM 0 H GLN A 84 -1.936 -16.540 -9.363 1.00 1.12 H new ATOM 0 HA GLN A 84 -3.109 -15.669 -7.032 1.00 61.44 H new ATOM 0 HB2 GLN A 84 -3.183 -18.146 -6.472 1.00 10.22 H new ATOM 0 HB3 GLN A 84 -3.837 -17.700 -8.035 1.00 10.22 H new ATOM 0 HG2 GLN A 84 -1.682 -18.367 -9.105 1.00 53.02 H new ATOM 0 HG3 GLN A 84 -1.072 -18.858 -7.537 1.00 53.02 H new ATOM 0 HE21 GLN A 84 -2.986 -20.250 -6.313 1.00 51.25 H new ATOM 0 HE22 GLN A 84 -3.503 -21.637 -7.276 1.00 51.25 H new ATOM 1316 N GLN A 85 -0.083 -16.882 -6.520 1.00 10.35 N ATOM 1317 CA GLN A 85 1.007 -16.940 -5.553 1.00 31.13 C ATOM 1318 C GLN A 85 1.336 -15.550 -5.018 1.00 53.04 C ATOM 1319 O GLN A 85 1.491 -15.359 -3.812 1.00 23.21 O ATOM 1320 CB GLN A 85 2.250 -17.561 -6.191 1.00 64.32 C ATOM 1321 CG GLN A 85 1.993 -18.916 -6.832 1.00 3.24 C ATOM 1322 CD GLN A 85 1.558 -19.964 -5.826 1.00 41.41 C ATOM 1323 OE1 GLN A 85 0.297 -19.902 -5.415 1.00 12.24 O flip ATOM 1324 NE2 GLN A 85 2.347 -20.819 -5.423 1.00 72.32 N flip ATOM 0 H GLN A 85 0.145 -17.267 -7.437 1.00 10.35 H new ATOM 0 HA GLN A 85 0.685 -17.563 -4.719 1.00 31.13 H new ATOM 0 HB2 GLN A 85 2.640 -16.879 -6.947 1.00 64.32 H new ATOM 0 HB3 GLN A 85 3.023 -17.669 -5.430 1.00 64.32 H new ATOM 0 HG2 GLN A 85 1.224 -18.812 -7.598 1.00 3.24 H new ATOM 0 HG3 GLN A 85 2.899 -19.254 -7.334 1.00 3.24 H new ATOM 0 HE21 GLN A 85 3.307 -20.829 -5.766 1.00 72.32 H new ATOM 0 HE22 GLN A 85 2.040 -21.517 -4.746 1.00 72.32 H new ATOM 1333 N ILE A 86 1.440 -14.583 -5.924 1.00 23.12 N ATOM 1334 CA ILE A 86 1.750 -13.211 -5.543 1.00 11.33 C ATOM 1335 C ILE A 86 0.587 -12.573 -4.791 1.00 34.24 C ATOM 1336 O ILE A 86 0.755 -12.062 -3.683 1.00 33.24 O ATOM 1337 CB ILE A 86 2.086 -12.347 -6.773 1.00 21.12 C ATOM 1338 CG1 ILE A 86 3.315 -12.905 -7.494 1.00 40.40 C ATOM 1339 CG2 ILE A 86 2.319 -10.902 -6.358 1.00 30.12 C ATOM 1340 CD1 ILE A 86 2.975 -13.745 -8.705 1.00 44.32 C ATOM 0 H ILE A 86 1.314 -14.725 -6.926 1.00 23.12 H new ATOM 0 HA ILE A 86 2.622 -13.255 -4.890 1.00 11.33 H new ATOM 0 HB ILE A 86 1.241 -12.375 -7.460 1.00 21.12 H new ATOM 0 HG12 ILE A 86 3.952 -12.076 -7.804 1.00 40.40 H new ATOM 0 HG13 ILE A 86 3.894 -13.508 -6.795 1.00 40.40 H new ATOM 0 HG21 ILE A 86 2.555 -10.304 -7.238 1.00 30.12 H new ATOM 0 HG22 ILE A 86 1.419 -10.510 -5.884 1.00 30.12 H new ATOM 0 HG23 ILE A 86 3.150 -10.855 -5.654 1.00 30.12 H new ATOM 0 HD11 ILE A 86 3.894 -14.107 -9.166 1.00 44.32 H new ATOM 0 HD12 ILE A 86 2.363 -14.594 -8.399 1.00 44.32 H new ATOM 0 HD13 ILE A 86 2.422 -13.140 -9.424 1.00 44.32 H new ATOM 1352 N LEU A 87 -0.594 -12.608 -5.399 1.00 21.21 N ATOM 1353 CA LEU A 87 -1.787 -12.035 -4.786 1.00 75.42 C ATOM 1354 C LEU A 87 -1.955 -12.531 -3.353 1.00 53.14 C ATOM 1355 O LEU A 87 -2.454 -11.809 -2.489 1.00 62.00 O ATOM 1356 CB LEU A 87 -3.027 -12.390 -5.609 1.00 53.00 C ATOM 1357 CG LEU A 87 -4.310 -11.641 -5.247 1.00 12.14 C ATOM 1358 CD1 LEU A 87 -4.268 -10.219 -5.783 1.00 45.43 C ATOM 1359 CD2 LEU A 87 -5.528 -12.379 -5.783 1.00 12.03 C ATOM 0 H LEU A 87 -0.751 -13.027 -6.316 1.00 21.21 H new ATOM 0 HA LEU A 87 -1.670 -10.952 -4.764 1.00 75.42 H new ATOM 0 HB2 LEU A 87 -2.806 -12.205 -6.660 1.00 53.00 H new ATOM 0 HB3 LEU A 87 -3.213 -13.459 -5.506 1.00 53.00 H new ATOM 0 HG LEU A 87 -4.386 -11.595 -4.161 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -5.190 -9.702 -5.515 1.00 45.43 H new ATOM 0 HD12 LEU A 87 -3.418 -9.692 -5.350 1.00 45.43 H new ATOM 0 HD13 LEU A 87 -4.167 -10.242 -6.868 1.00 45.43 H new ATOM 0 HD21 LEU A 87 -6.432 -11.831 -5.516 1.00 12.03 H new ATOM 0 HD22 LEU A 87 -5.458 -12.457 -6.868 1.00 12.03 H new ATOM 0 HD23 LEU A 87 -5.568 -13.378 -5.350 1.00 12.03 H new ATOM 1371 N THR A 88 -1.534 -13.767 -3.107 1.00 23.51 N ATOM 1372 CA THR A 88 -1.636 -14.360 -1.779 1.00 51.52 C ATOM 1373 C THR A 88 -1.066 -13.427 -0.716 1.00 72.41 C ATOM 1374 O THR A 88 -1.512 -13.434 0.431 1.00 62.02 O ATOM 1375 CB THR A 88 -0.900 -15.711 -1.708 1.00 54.04 C ATOM 1376 OG1 THR A 88 -1.497 -16.642 -2.618 1.00 52.12 O ATOM 1377 CG2 THR A 88 -0.942 -16.276 -0.297 1.00 24.33 C ATOM 0 H THR A 88 -1.119 -14.378 -3.810 1.00 23.51 H new ATOM 0 HA THR A 88 -2.696 -14.523 -1.586 1.00 51.52 H new ATOM 0 HB THR A 88 0.141 -15.548 -1.986 1.00 54.04 H new ATOM 0 HG1 THR A 88 -1.682 -16.194 -3.470 1.00 52.12 H new ATOM 0 HG21 THR A 88 -0.416 -17.230 -0.271 1.00 24.33 H new ATOM 0 HG22 THR A 88 -0.461 -15.578 0.389 1.00 24.33 H new ATOM 0 HG23 THR A 88 -1.979 -16.425 0.005 1.00 24.33 H new ATOM 1385 N GLU A 89 -0.079 -12.626 -1.105 1.00 73.35 N ATOM 1386 CA GLU A 89 0.551 -11.688 -0.184 1.00 31.20 C ATOM 1387 C GLU A 89 0.292 -10.247 -0.613 1.00 14.11 C ATOM 1388 O GLU A 89 0.188 -9.348 0.222 1.00 3.54 O ATOM 1389 CB GLU A 89 2.057 -11.946 -0.109 1.00 62.52 C ATOM 1390 CG GLU A 89 2.707 -12.157 -1.467 1.00 12.24 C ATOM 1391 CD GLU A 89 4.170 -12.541 -1.360 1.00 33.31 C ATOM 1392 OE1 GLU A 89 4.945 -11.763 -0.765 1.00 61.43 O ATOM 1393 OE2 GLU A 89 4.539 -13.619 -1.871 1.00 23.02 O ATOM 0 H GLU A 89 0.301 -12.608 -2.051 1.00 73.35 H new ATOM 0 HA GLU A 89 0.114 -11.839 0.803 1.00 31.20 H new ATOM 0 HB2 GLU A 89 2.537 -11.103 0.387 1.00 62.52 H new ATOM 0 HB3 GLU A 89 2.236 -12.825 0.511 1.00 62.52 H new ATOM 0 HG2 GLU A 89 2.169 -12.937 -2.006 1.00 12.24 H new ATOM 0 HG3 GLU A 89 2.617 -11.243 -2.055 1.00 12.24 H new ATOM 1400 N LEU A 90 0.188 -10.035 -1.920 1.00 50.41 N ATOM 1401 CA LEU A 90 -0.059 -8.703 -2.462 1.00 2.32 C ATOM 1402 C LEU A 90 -1.229 -8.033 -1.749 1.00 74.30 C ATOM 1403 O LEU A 90 -1.062 -7.008 -1.089 1.00 63.30 O ATOM 1404 CB LEU A 90 -0.341 -8.785 -3.963 1.00 23.40 C ATOM 1405 CG LEU A 90 0.309 -7.705 -4.828 1.00 64.45 C ATOM 1406 CD1 LEU A 90 1.823 -7.848 -4.812 1.00 4.44 C ATOM 1407 CD2 LEU A 90 -0.219 -7.775 -6.254 1.00 2.31 C ATOM 0 H LEU A 90 0.271 -10.768 -2.624 1.00 50.41 H new ATOM 0 HA LEU A 90 0.835 -8.101 -2.299 1.00 2.32 H new ATOM 0 HB2 LEU A 90 -0.008 -9.759 -4.322 1.00 23.40 H new ATOM 0 HB3 LEU A 90 -1.420 -8.742 -4.113 1.00 23.40 H new ATOM 0 HG LEU A 90 0.052 -6.730 -4.413 1.00 64.45 H new ATOM 0 HD11 LEU A 90 2.268 -7.071 -5.433 1.00 4.44 H new ATOM 0 HD12 LEU A 90 2.187 -7.748 -3.789 1.00 4.44 H new ATOM 0 HD13 LEU A 90 2.100 -8.827 -5.202 1.00 4.44 H new ATOM 0 HD21 LEU A 90 0.254 -6.999 -6.856 1.00 2.31 H new ATOM 0 HD22 LEU A 90 0.008 -8.753 -6.679 1.00 2.31 H new ATOM 0 HD23 LEU A 90 -1.298 -7.623 -6.250 1.00 2.31 H new ATOM 1419 N GLN A 91 -2.413 -8.622 -1.886 1.00 14.52 N ATOM 1420 CA GLN A 91 -3.611 -8.082 -1.253 1.00 74.23 C ATOM 1421 C GLN A 91 -3.843 -8.724 0.111 1.00 61.34 C ATOM 1422 O GLN A 91 -4.250 -8.057 1.062 1.00 25.11 O ATOM 1423 CB GLN A 91 -4.831 -8.305 -2.149 1.00 31.40 C ATOM 1424 CG GLN A 91 -5.100 -9.770 -2.457 1.00 44.55 C ATOM 1425 CD GLN A 91 -6.169 -10.367 -1.565 1.00 20.54 C ATOM 1426 OE1 GLN A 91 -7.112 -9.685 -1.163 1.00 3.32 O ATOM 1427 NE2 GLN A 91 -6.028 -11.650 -1.249 1.00 52.40 N ATOM 0 H GLN A 91 -2.568 -9.472 -2.429 1.00 14.52 H new ATOM 0 HA GLN A 91 -3.465 -7.011 -1.110 1.00 74.23 H new ATOM 0 HB2 GLN A 91 -5.709 -7.877 -1.666 1.00 31.40 H new ATOM 0 HB3 GLN A 91 -4.687 -7.766 -3.085 1.00 31.40 H new ATOM 0 HG2 GLN A 91 -5.405 -9.868 -3.499 1.00 44.55 H new ATOM 0 HG3 GLN A 91 -4.177 -10.337 -2.341 1.00 44.55 H new ATOM 0 HE21 GLN A 91 -5.231 -12.178 -1.604 1.00 52.40 H new ATOM 0 HE22 GLN A 91 -6.717 -12.107 -0.651 1.00 52.40 H new ATOM 1436 N LYS A 92 -3.582 -10.024 0.199 1.00 61.11 N ATOM 1437 CA LYS A 92 -3.761 -10.758 1.446 1.00 4.22 C ATOM 1438 C LYS A 92 -2.526 -10.631 2.333 1.00 33.44 C ATOM 1439 O LYS A 92 -1.605 -11.445 2.252 1.00 53.52 O ATOM 1440 CB LYS A 92 -4.045 -12.234 1.158 1.00 53.54 C ATOM 1441 CG LYS A 92 -5.444 -12.672 1.556 1.00 62.41 C ATOM 1442 CD LYS A 92 -5.533 -12.967 3.044 1.00 52.21 C ATOM 1443 CE LYS A 92 -4.772 -14.232 3.408 1.00 21.24 C ATOM 1444 NZ LYS A 92 -5.690 -15.348 3.767 1.00 74.21 N ATOM 0 H LYS A 92 -3.246 -10.591 -0.579 1.00 61.11 H new ATOM 0 HA LYS A 92 -4.612 -10.327 1.973 1.00 4.22 H new ATOM 0 HB2 LYS A 92 -3.903 -12.422 0.094 1.00 53.54 H new ATOM 0 HB3 LYS A 92 -3.316 -12.846 1.690 1.00 53.54 H new ATOM 0 HG2 LYS A 92 -6.159 -11.891 1.295 1.00 62.41 H new ATOM 0 HG3 LYS A 92 -5.723 -13.561 0.990 1.00 62.41 H new ATOM 0 HD2 LYS A 92 -5.132 -12.125 3.608 1.00 52.21 H new ATOM 0 HD3 LYS A 92 -6.579 -13.074 3.333 1.00 52.21 H new ATOM 0 HE2 LYS A 92 -4.145 -14.533 2.568 1.00 21.24 H new ATOM 0 HE3 LYS A 92 -4.105 -14.026 4.246 1.00 21.24 H new ATOM 0 HZ1 LYS A 92 -5.132 -16.192 4.009 1.00 74.21 H new ATOM 0 HZ2 LYS A 92 -6.270 -15.071 4.584 1.00 74.21 H new ATOM 0 HZ3 LYS A 92 -6.309 -15.562 2.959 1.00 74.21 H new TER 1458 LYS A 92