USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 66 GLN :FLIP amide:sc= -0.814 F(o=-10,f=-9.4) USER MOD Set 1.2: A 70 HIS : no HE2:sc= -8.59! C(o=-9.4!,f=-12!) USER MOD Set 2.1: A 45 GLN : amide:sc= -0.0244 X(o=-1.3,f=-0.83) USER MOD Set 2.2: A 48 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.83) USER MOD Single : A 1 GLY N :NH3+ -111:sc= -0.572 (180deg=-2.39!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.141 K(o=0.14,f=-4.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.014) USER MOD Single : A 20 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 28 SER OG : rot 180:sc= -0.77 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.000488 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.022) USER MOD Single : A 49 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.37) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.807 USER MOD Single : A 52 TYR OH : rot -140:sc= -0.745 USER MOD Single : A 54 TYR OH : rot -130:sc= 0.0835 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 63 THR OG1 : rot 48:sc= 0.528 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -82:sc= -0.195 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0552 X(o=-0.055,f=0.16) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 90 SER OG : rot 180:sc= -0.129 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.037) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.38) USER MOD Single : A 105 ASN : amide:sc=-0.000955 K(o=-0.00096,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.913 -48.049 32.540 1.00 0.00 N ATOM 2 CA GLY A 1 -43.621 -46.601 32.719 1.00 0.00 C ATOM 3 C GLY A 1 -42.312 -46.357 33.448 1.00 0.00 C ATOM 4 O GLY A 1 -41.356 -45.855 32.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.836 -48.297 31.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.230 -48.611 33.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.876 -48.253 32.874 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.585 -46.118 31.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.435 -46.136 33.275 1.00 0.00 H new ATOM 10 N PRO A 2 -42.238 -46.704 34.745 1.00 0.00 N ATOM 11 CA PRO A 2 -41.024 -46.514 35.545 1.00 0.00 C ATOM 12 C PRO A 2 -39.893 -47.447 35.121 1.00 0.00 C ATOM 13 O PRO A 2 -38.724 -47.190 35.408 1.00 0.00 O ATOM 14 CB PRO A 2 -41.482 -46.843 36.968 1.00 0.00 C ATOM 15 CG PRO A 2 -42.646 -47.753 36.792 1.00 0.00 C ATOM 16 CD PRO A 2 -43.331 -47.309 35.529 1.00 0.00 C ATOM 0 HA PRO A 2 -40.618 -45.509 35.433 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -40.687 -47.323 37.538 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -41.764 -45.941 37.511 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -42.322 -48.791 36.716 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -43.322 -47.692 37.645 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -43.787 -48.147 35.003 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -44.125 -46.591 35.733 1.00 0.00 H new ATOM 24 N GLY A 3 -40.248 -48.532 34.438 1.00 0.00 N ATOM 25 CA GLY A 3 -39.249 -49.486 33.988 1.00 0.00 C ATOM 26 C GLY A 3 -38.166 -48.843 33.145 1.00 0.00 C ATOM 27 O GLY A 3 -36.980 -49.115 33.334 1.00 0.00 O ATOM 0 H GLY A 3 -41.209 -48.767 34.188 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -38.793 -49.965 34.855 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -39.736 -50.271 33.410 1.00 0.00 H new ATOM 31 N SER A 4 -38.572 -47.988 32.212 1.00 0.00 N ATOM 32 CA SER A 4 -37.625 -47.306 31.336 1.00 0.00 C ATOM 33 C SER A 4 -37.919 -45.811 31.274 1.00 0.00 C ATOM 34 O SER A 4 -39.056 -45.401 31.037 1.00 0.00 O ATOM 35 CB SER A 4 -37.675 -47.907 29.930 1.00 0.00 C ATOM 36 OG SER A 4 -36.632 -47.395 29.119 1.00 0.00 O ATOM 0 H SER A 4 -39.549 -47.751 32.043 1.00 0.00 H new ATOM 0 HA SER A 4 -36.625 -47.443 31.747 1.00 0.00 H new ATOM 0 HB2 SER A 4 -37.592 -48.992 29.992 1.00 0.00 H new ATOM 0 HB3 SER A 4 -38.639 -47.686 29.471 1.00 0.00 H new ATOM 0 HG SER A 4 -36.685 -47.796 28.226 1.00 0.00 H new ATOM 42 N LEU A 5 -36.888 -45.000 31.488 1.00 0.00 N ATOM 43 CA LEU A 5 -37.035 -43.550 31.455 1.00 0.00 C ATOM 44 C LEU A 5 -35.694 -42.873 31.187 1.00 0.00 C ATOM 45 O LEU A 5 -34.702 -43.153 31.861 1.00 0.00 O ATOM 46 CB LEU A 5 -37.624 -43.046 32.776 1.00 0.00 C ATOM 47 CG LEU A 5 -38.829 -42.115 32.633 1.00 0.00 C ATOM 48 CD1 LEU A 5 -38.444 -40.859 31.867 1.00 0.00 C ATOM 49 CD2 LEU A 5 -39.977 -42.834 31.940 1.00 0.00 C ATOM 0 H LEU A 5 -35.941 -45.323 31.686 1.00 0.00 H new ATOM 0 HA LEU A 5 -37.716 -43.296 30.643 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -37.918 -43.906 33.377 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -36.843 -42.523 33.328 1.00 0.00 H new ATOM 0 HG LEU A 5 -39.159 -41.821 33.629 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -39.314 -40.208 31.775 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -37.653 -40.334 32.403 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -38.089 -41.133 30.874 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -40.826 -42.157 31.846 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -39.659 -43.156 30.949 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -40.269 -43.704 32.528 1.00 0.00 H new ATOM 61 N SER A 6 -35.671 -41.983 30.201 1.00 0.00 N ATOM 62 CA SER A 6 -34.452 -41.268 29.845 1.00 0.00 C ATOM 63 C SER A 6 -34.552 -39.795 30.229 1.00 0.00 C ATOM 64 O SER A 6 -35.629 -39.199 30.173 1.00 0.00 O ATOM 65 CB SER A 6 -34.178 -41.400 28.344 1.00 0.00 C ATOM 66 OG SER A 6 -32.821 -41.728 28.101 1.00 0.00 O ATOM 0 H SER A 6 -36.483 -41.740 29.634 1.00 0.00 H new ATOM 0 HA SER A 6 -33.625 -41.713 30.399 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.823 -42.169 27.920 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.425 -40.464 27.842 1.00 0.00 H new ATOM 0 HG SER A 6 -32.672 -41.808 27.136 1.00 0.00 H new ATOM 72 N ASN A 7 -33.423 -39.212 30.617 1.00 0.00 N ATOM 73 CA ASN A 7 -33.384 -37.808 31.011 1.00 0.00 C ATOM 74 C ASN A 7 -32.003 -37.211 30.754 1.00 0.00 C ATOM 75 O ASN A 7 -31.000 -37.925 30.734 1.00 0.00 O ATOM 76 CB ASN A 7 -33.753 -37.661 32.489 1.00 0.00 C ATOM 77 CG ASN A 7 -35.194 -37.231 32.683 1.00 0.00 C ATOM 78 OD1 ASN A 7 -36.070 -38.057 32.944 1.00 0.00 O ATOM 79 ND2 ASN A 7 -35.446 -35.934 32.557 1.00 0.00 N ATOM 0 H ASN A 7 -32.523 -39.689 30.667 1.00 0.00 H new ATOM 0 HA ASN A 7 -34.112 -37.265 30.408 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -33.588 -38.610 32.998 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -33.092 -36.930 32.955 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -36.397 -35.585 32.677 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -34.689 -35.286 32.340 1.00 0.00 H new ATOM 86 N PHE A 8 -31.959 -35.897 30.562 1.00 0.00 N ATOM 87 CA PHE A 8 -30.702 -35.202 30.306 1.00 0.00 C ATOM 88 C PHE A 8 -30.919 -33.694 30.229 1.00 0.00 C ATOM 89 O PHE A 8 -32.005 -33.230 29.881 1.00 0.00 O ATOM 90 CB PHE A 8 -30.070 -35.706 29.008 1.00 0.00 C ATOM 91 CG PHE A 8 -28.571 -35.776 29.057 1.00 0.00 C ATOM 92 CD1 PHE A 8 -27.934 -36.619 29.954 1.00 0.00 C ATOM 93 CD2 PHE A 8 -27.800 -34.999 28.209 1.00 0.00 C ATOM 94 CE1 PHE A 8 -26.554 -36.685 30.002 1.00 0.00 C ATOM 95 CE2 PHE A 8 -26.420 -35.061 28.252 1.00 0.00 C ATOM 96 CZ PHE A 8 -25.797 -35.905 29.150 1.00 0.00 C ATOM 0 H PHE A 8 -32.780 -35.291 30.579 1.00 0.00 H new ATOM 0 HA PHE A 8 -30.026 -35.411 31.135 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -30.464 -36.697 28.782 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -30.368 -35.050 28.190 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -28.522 -37.231 30.622 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -28.283 -34.337 27.506 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -26.068 -37.346 30.705 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -25.830 -34.450 27.585 1.00 0.00 H new ATOM 0 HZ PHE A 8 -24.719 -35.955 29.186 1.00 0.00 H new ATOM 106 N ALA A 9 -29.877 -32.935 30.552 1.00 0.00 N ATOM 107 CA ALA A 9 -29.952 -31.480 30.518 1.00 0.00 C ATOM 108 C ALA A 9 -28.771 -30.888 29.757 1.00 0.00 C ATOM 109 O ALA A 9 -27.622 -31.265 29.985 1.00 0.00 O ATOM 110 CB ALA A 9 -30.006 -30.922 31.932 1.00 0.00 C ATOM 0 H ALA A 9 -28.971 -33.304 30.840 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.865 -31.199 29.994 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.062 -29.834 31.892 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -30.886 -31.312 32.444 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -29.109 -31.220 32.475 1.00 0.00 H new ATOM 116 N ASN A 10 -29.062 -29.958 28.853 1.00 0.00 N ATOM 117 CA ASN A 10 -28.023 -29.314 28.058 1.00 0.00 C ATOM 118 C ASN A 10 -27.715 -27.919 28.592 1.00 0.00 C ATOM 119 O ASN A 10 -28.540 -27.304 29.268 1.00 0.00 O ATOM 120 CB ASN A 10 -28.452 -29.228 26.593 1.00 0.00 C ATOM 121 CG ASN A 10 -27.286 -28.951 25.664 1.00 0.00 C ATOM 122 OD1 ASN A 10 -26.127 -28.971 26.079 1.00 0.00 O ATOM 123 ND2 ASN A 10 -27.588 -28.691 24.397 1.00 0.00 N ATOM 0 H ASN A 10 -30.008 -29.634 28.653 1.00 0.00 H new ATOM 0 HA ASN A 10 -27.119 -29.919 28.130 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -28.931 -30.163 26.302 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -29.197 -28.440 26.481 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -26.845 -28.498 23.725 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -28.563 -28.685 24.096 1.00 0.00 H new ATOM 130 N VAL A 11 -26.519 -27.425 28.286 1.00 0.00 N ATOM 131 CA VAL A 11 -26.100 -26.102 28.734 1.00 0.00 C ATOM 132 C VAL A 11 -25.708 -25.220 27.555 1.00 0.00 C ATOM 133 O VAL A 11 -25.528 -25.705 26.437 1.00 0.00 O ATOM 134 CB VAL A 11 -24.913 -26.190 29.712 1.00 0.00 C ATOM 135 CG1 VAL A 11 -25.330 -26.886 30.998 1.00 0.00 C ATOM 136 CG2 VAL A 11 -23.740 -26.910 29.063 1.00 0.00 C ATOM 0 H VAL A 11 -25.823 -27.921 27.729 1.00 0.00 H new ATOM 0 HA VAL A 11 -26.953 -25.658 29.248 1.00 0.00 H new ATOM 0 HB VAL A 11 -24.596 -25.178 29.962 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -24.478 -26.939 31.676 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -26.136 -26.325 31.471 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -25.675 -27.895 30.770 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.910 -26.963 29.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -24.043 -27.919 28.782 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.426 -26.365 28.173 1.00 0.00 H new ATOM 146 N GLY A 12 -25.574 -23.923 27.810 1.00 0.00 N ATOM 147 CA GLY A 12 -25.203 -22.994 26.759 1.00 0.00 C ATOM 148 C GLY A 12 -23.757 -22.549 26.863 1.00 0.00 C ATOM 149 O GLY A 12 -22.957 -23.175 27.557 1.00 0.00 O ATOM 0 H GLY A 12 -25.716 -23.498 28.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -25.367 -23.463 25.789 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -25.853 -22.120 26.804 1.00 0.00 H new ATOM 153 N VAL A 13 -23.423 -21.464 26.171 1.00 0.00 N ATOM 154 CA VAL A 13 -22.064 -20.935 26.190 1.00 0.00 C ATOM 155 C VAL A 13 -22.038 -19.476 25.744 1.00 0.00 C ATOM 156 O VAL A 13 -21.380 -18.639 26.362 1.00 0.00 O ATOM 157 CB VAL A 13 -21.129 -21.760 25.282 1.00 0.00 C ATOM 158 CG1 VAL A 13 -21.601 -21.709 23.836 1.00 0.00 C ATOM 159 CG2 VAL A 13 -19.694 -21.267 25.400 1.00 0.00 C ATOM 0 H VAL A 13 -24.074 -20.935 25.591 1.00 0.00 H new ATOM 0 HA VAL A 13 -21.709 -21.002 27.218 1.00 0.00 H new ATOM 0 HB VAL A 13 -21.160 -22.798 25.612 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.928 -22.297 23.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.609 -22.118 23.768 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.605 -20.675 23.491 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.050 -21.862 24.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.643 -20.220 25.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.359 -21.365 26.433 1.00 0.00 H new ATOM 169 N GLY A 14 -22.758 -19.178 24.667 1.00 0.00 N ATOM 170 CA GLY A 14 -22.804 -17.821 24.157 1.00 0.00 C ATOM 171 C GLY A 14 -21.713 -17.544 23.141 1.00 0.00 C ATOM 172 O GLY A 14 -20.960 -18.445 22.767 1.00 0.00 O ATOM 0 H GLY A 14 -23.311 -19.853 24.138 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -23.777 -17.642 23.699 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -22.709 -17.121 24.987 1.00 0.00 H new ATOM 176 N THR A 15 -21.627 -16.297 22.692 1.00 0.00 N ATOM 177 CA THR A 15 -20.621 -15.904 21.712 1.00 0.00 C ATOM 178 C THR A 15 -20.786 -16.693 20.418 1.00 0.00 C ATOM 179 O THR A 15 -20.100 -17.690 20.196 1.00 0.00 O ATOM 180 CB THR A 15 -19.217 -16.119 22.279 1.00 0.00 C ATOM 181 OG1 THR A 15 -19.139 -15.656 23.616 1.00 0.00 O ATOM 182 CG2 THR A 15 -18.138 -15.415 21.487 1.00 0.00 C ATOM 0 H THR A 15 -22.242 -15.540 22.991 1.00 0.00 H new ATOM 0 HA THR A 15 -20.758 -14.846 21.491 1.00 0.00 H new ATOM 0 HB THR A 15 -19.045 -17.194 22.222 1.00 0.00 H new ATOM 0 HG1 THR A 15 -18.234 -15.804 23.961 1.00 0.00 H new ATOM 0 HG21 THR A 15 -17.167 -15.609 21.943 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.138 -15.786 20.462 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.330 -14.342 21.484 1.00 0.00 H new ATOM 190 N SER A 16 -21.700 -16.240 19.566 1.00 0.00 N ATOM 191 CA SER A 16 -21.954 -16.904 18.292 1.00 0.00 C ATOM 192 C SER A 16 -21.785 -15.931 17.129 1.00 0.00 C ATOM 193 O SER A 16 -22.131 -14.755 17.234 1.00 0.00 O ATOM 194 CB SER A 16 -23.363 -17.497 18.276 1.00 0.00 C ATOM 195 OG SER A 16 -24.340 -16.501 18.524 1.00 0.00 O ATOM 0 H SER A 16 -22.277 -15.416 19.734 1.00 0.00 H new ATOM 0 HA SER A 16 -21.227 -17.708 18.177 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.553 -17.964 17.310 1.00 0.00 H new ATOM 0 HB3 SER A 16 -23.439 -18.281 19.030 1.00 0.00 H new ATOM 0 HG SER A 16 -25.232 -16.906 18.507 1.00 0.00 H new ATOM 201 N SER A 17 -21.253 -16.432 16.019 1.00 0.00 N ATOM 202 CA SER A 17 -21.038 -15.609 14.834 1.00 0.00 C ATOM 203 C SER A 17 -20.092 -14.453 15.140 1.00 0.00 C ATOM 204 O SER A 17 -19.763 -14.194 16.298 1.00 0.00 O ATOM 205 CB SER A 17 -22.371 -15.068 14.316 1.00 0.00 C ATOM 206 OG SER A 17 -23.069 -16.052 13.575 1.00 0.00 O ATOM 0 H SER A 17 -20.963 -17.404 15.915 1.00 0.00 H new ATOM 0 HA SER A 17 -20.583 -16.234 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.984 -14.738 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.193 -14.195 13.689 1.00 0.00 H new ATOM 0 HG SER A 17 -23.918 -15.681 13.257 1.00 0.00 H new ATOM 212 N GLY A 18 -19.653 -13.760 14.093 1.00 0.00 N ATOM 213 CA GLY A 18 -18.750 -12.640 14.271 1.00 0.00 C ATOM 214 C GLY A 18 -17.718 -12.546 13.163 1.00 0.00 C ATOM 215 O GLY A 18 -18.056 -12.629 11.983 1.00 0.00 O ATOM 0 H GLY A 18 -19.907 -13.955 13.125 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.326 -11.715 14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.241 -12.736 15.230 1.00 0.00 H new ATOM 219 N LYS A 19 -16.457 -12.371 13.546 1.00 0.00 N ATOM 220 CA LYS A 19 -15.373 -12.264 12.575 1.00 0.00 C ATOM 221 C LYS A 19 -14.158 -13.070 13.027 1.00 0.00 C ATOM 222 O LYS A 19 -14.003 -13.367 14.211 1.00 0.00 O ATOM 223 CB LYS A 19 -14.983 -10.798 12.374 1.00 0.00 C ATOM 224 CG LYS A 19 -15.671 -10.145 11.187 1.00 0.00 C ATOM 225 CD LYS A 19 -15.485 -8.637 11.194 1.00 0.00 C ATOM 226 CE LYS A 19 -15.222 -8.100 9.796 1.00 0.00 C ATOM 227 NZ LYS A 19 -13.846 -8.421 9.327 1.00 0.00 N ATOM 0 H LYS A 19 -16.161 -12.300 14.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.725 -12.671 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.226 -10.239 13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.903 -10.733 12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.270 -10.557 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.735 -10.381 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.375 -8.162 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.653 -8.375 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.949 -8.522 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.365 -7.019 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.666 -7.938 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.154 -8.101 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.755 -9.449 9.195 1.00 0.00 H new ATOM 241 N GLN A 20 -13.299 -13.419 12.075 1.00 0.00 N ATOM 242 CA GLN A 20 -12.098 -14.189 12.375 1.00 0.00 C ATOM 243 C GLN A 20 -11.028 -13.965 11.310 1.00 0.00 C ATOM 244 O GLN A 20 -11.289 -13.360 10.270 1.00 0.00 O ATOM 245 CB GLN A 20 -12.432 -15.679 12.472 1.00 0.00 C ATOM 246 CG GLN A 20 -13.390 -16.014 13.604 1.00 0.00 C ATOM 247 CD GLN A 20 -13.342 -17.480 13.993 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.565 -18.255 13.439 1.00 0.00 O ATOM 249 NE2 GLN A 20 -14.175 -17.864 14.953 1.00 0.00 N ATOM 0 H GLN A 20 -13.412 -13.181 11.090 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.709 -13.848 13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.868 -16.008 11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.509 -16.242 12.610 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.147 -15.403 14.473 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.405 -15.754 13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.803 -17.186 15.385 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.187 -18.837 15.259 1.00 0.00 H new ATOM 258 N LYS A 21 -9.822 -14.457 11.578 1.00 0.00 N ATOM 259 CA LYS A 21 -8.712 -14.312 10.644 1.00 0.00 C ATOM 260 C LYS A 21 -8.380 -12.841 10.416 1.00 0.00 C ATOM 261 O LYS A 21 -8.951 -12.195 9.536 1.00 0.00 O ATOM 262 CB LYS A 21 -9.047 -14.984 9.311 1.00 0.00 C ATOM 263 CG LYS A 21 -7.823 -15.444 8.536 1.00 0.00 C ATOM 264 CD LYS A 21 -7.626 -16.948 8.644 1.00 0.00 C ATOM 265 CE LYS A 21 -6.434 -17.412 7.822 1.00 0.00 C ATOM 266 NZ LYS A 21 -5.769 -18.597 8.432 1.00 0.00 N ATOM 0 H LYS A 21 -9.589 -14.959 12.435 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.839 -14.799 11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.692 -15.843 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.616 -14.287 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.929 -15.164 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.938 -14.932 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.479 -17.223 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.526 -17.460 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.763 -17.659 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.715 -16.598 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.961 -18.883 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.433 -18.354 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.448 -19.382 8.494 1.00 0.00 H new ATOM 280 N ARG A 22 -7.455 -12.317 11.213 1.00 0.00 N ATOM 281 CA ARG A 22 -7.047 -10.922 11.097 1.00 0.00 C ATOM 282 C ARG A 22 -5.529 -10.792 11.180 1.00 0.00 C ATOM 283 O ARG A 22 -4.946 -10.893 12.259 1.00 0.00 O ATOM 284 CB ARG A 22 -7.704 -10.084 12.197 1.00 0.00 C ATOM 285 CG ARG A 22 -9.217 -10.233 12.253 1.00 0.00 C ATOM 286 CD ARG A 22 -9.675 -10.800 13.588 1.00 0.00 C ATOM 287 NE ARG A 22 -9.592 -9.809 14.660 1.00 0.00 N ATOM 288 CZ ARG A 22 -10.035 -10.019 15.897 1.00 0.00 C ATOM 289 NH1 ARG A 22 -10.591 -11.177 16.225 1.00 0.00 N ATOM 290 NH2 ARG A 22 -9.920 -9.065 16.812 1.00 0.00 N ATOM 0 H ARG A 22 -6.974 -12.837 11.946 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.373 -10.552 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.283 -10.370 13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.456 -9.034 12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.685 -9.262 12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.549 -10.887 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.702 -11.153 13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.062 -11.664 13.845 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.170 -8.905 14.447 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.682 -11.915 15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.928 -11.330 17.176 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.492 -8.172 16.567 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.259 -9.225 17.761 1.00 0.00 H new ATOM 304 N TYR A 23 -4.896 -10.570 10.033 1.00 0.00 N ATOM 305 CA TYR A 23 -3.445 -10.429 9.977 1.00 0.00 C ATOM 306 C TYR A 23 -3.038 -9.355 8.974 1.00 0.00 C ATOM 307 O TYR A 23 -2.449 -8.338 9.342 1.00 0.00 O ATOM 308 CB TYR A 23 -2.796 -11.763 9.603 1.00 0.00 C ATOM 309 CG TYR A 23 -2.990 -12.845 10.641 1.00 0.00 C ATOM 310 CD1 TYR A 23 -2.181 -12.904 11.769 1.00 0.00 C ATOM 311 CD2 TYR A 23 -3.981 -13.808 10.493 1.00 0.00 C ATOM 312 CE1 TYR A 23 -2.354 -13.892 12.720 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.160 -14.798 11.438 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.344 -14.837 12.550 1.00 0.00 C ATOM 315 OH TYR A 23 -3.520 -15.822 13.494 1.00 0.00 O ATOM 0 H TYR A 23 -5.364 -10.484 9.131 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.098 -10.127 10.965 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.209 -12.104 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.728 -11.607 9.449 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.404 -12.166 11.905 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.622 -13.781 9.624 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.717 -13.924 13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.935 -15.539 11.308 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.259 -16.406 13.224 1.00 0.00 H new ATOM 325 N LYS A 24 -3.349 -9.588 7.702 1.00 0.00 N ATOM 326 CA LYS A 24 -3.010 -8.641 6.645 1.00 0.00 C ATOM 327 C LYS A 24 -4.258 -8.182 5.898 1.00 0.00 C ATOM 328 O LYS A 24 -4.360 -8.339 4.682 1.00 0.00 O ATOM 329 CB LYS A 24 -2.016 -9.271 5.668 1.00 0.00 C ATOM 330 CG LYS A 24 -2.490 -10.589 5.080 1.00 0.00 C ATOM 331 CD LYS A 24 -1.352 -11.343 4.406 1.00 0.00 C ATOM 332 CE LYS A 24 -1.743 -11.820 3.018 1.00 0.00 C ATOM 333 NZ LYS A 24 -2.530 -13.083 3.064 1.00 0.00 N ATOM 0 H LYS A 24 -3.835 -10.424 7.379 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.550 -7.769 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.824 -8.569 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.068 -9.432 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.920 -11.207 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.282 -10.401 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.477 -10.696 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.068 -12.198 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.328 -11.046 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.844 -11.974 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.777 -13.374 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.963 -13.829 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.401 -12.930 3.612 1.00 0.00 H new ATOM 347 N PHE A 25 -5.202 -7.607 6.633 1.00 0.00 N ATOM 348 CA PHE A 25 -6.436 -7.118 6.035 1.00 0.00 C ATOM 349 C PHE A 25 -6.148 -5.978 5.073 1.00 0.00 C ATOM 350 O PHE A 25 -5.166 -5.252 5.237 1.00 0.00 O ATOM 351 CB PHE A 25 -7.414 -6.658 7.118 1.00 0.00 C ATOM 352 CG PHE A 25 -8.803 -6.403 6.605 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.612 -7.456 6.206 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.299 -5.113 6.520 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.889 -7.223 5.733 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.575 -4.875 6.048 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.371 -5.932 5.653 1.00 0.00 C ATOM 0 H PHE A 25 -5.136 -7.469 7.641 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.892 -7.937 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.458 -7.415 7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.032 -5.746 7.577 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.240 -8.468 6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.680 -4.283 6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.510 -8.051 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.950 -3.864 5.988 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.369 -5.749 5.282 1.00 0.00 H new ATOM 367 N SER A 26 -7.010 -5.813 4.076 1.00 0.00 N ATOM 368 CA SER A 26 -6.850 -4.743 3.098 1.00 0.00 C ATOM 369 C SER A 26 -7.191 -3.409 3.748 1.00 0.00 C ATOM 370 O SER A 26 -8.024 -2.651 3.250 1.00 0.00 O ATOM 371 CB SER A 26 -7.746 -4.985 1.882 1.00 0.00 C ATOM 372 OG SER A 26 -9.039 -5.411 2.278 1.00 0.00 O ATOM 0 H SER A 26 -7.826 -6.406 3.924 1.00 0.00 H new ATOM 0 HA SER A 26 -5.815 -4.725 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.825 -4.069 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.293 -5.738 1.237 1.00 0.00 H new ATOM 0 HG SER A 26 -9.593 -5.557 1.483 1.00 0.00 H new ATOM 378 N ALA A 27 -6.546 -3.149 4.880 1.00 0.00 N ATOM 379 CA ALA A 27 -6.762 -1.935 5.647 1.00 0.00 C ATOM 380 C ALA A 27 -6.149 -2.078 7.036 1.00 0.00 C ATOM 381 O ALA A 27 -5.796 -1.084 7.670 1.00 0.00 O ATOM 382 CB ALA A 27 -8.247 -1.629 5.756 1.00 0.00 C ATOM 0 H ALA A 27 -5.857 -3.779 5.290 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.277 -1.107 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.389 -0.716 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.665 -1.495 4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.753 -2.456 6.254 1.00 0.00 H new ATOM 388 N SER A 28 -6.020 -3.324 7.509 1.00 0.00 N ATOM 389 CA SER A 28 -5.441 -3.576 8.826 1.00 0.00 C ATOM 390 C SER A 28 -4.108 -2.855 8.977 1.00 0.00 C ATOM 391 O SER A 28 -3.808 -2.292 10.030 1.00 0.00 O ATOM 392 CB SER A 28 -5.248 -5.077 9.050 1.00 0.00 C ATOM 393 OG SER A 28 -6.376 -5.647 9.694 1.00 0.00 O ATOM 0 H SER A 28 -6.306 -4.162 7.003 1.00 0.00 H new ATOM 0 HA SER A 28 -6.133 -3.193 9.576 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.083 -5.572 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.357 -5.246 9.654 1.00 0.00 H new ATOM 0 HG SER A 28 -6.228 -6.607 9.824 1.00 0.00 H new ATOM 399 N GLU A 29 -3.315 -2.872 7.913 1.00 0.00 N ATOM 400 CA GLU A 29 -2.014 -2.213 7.920 1.00 0.00 C ATOM 401 C GLU A 29 -2.175 -0.706 8.113 1.00 0.00 C ATOM 402 O GLU A 29 -1.557 -0.113 9.001 1.00 0.00 O ATOM 403 CB GLU A 29 -1.258 -2.501 6.621 1.00 0.00 C ATOM 404 CG GLU A 29 -2.068 -2.228 5.364 1.00 0.00 C ATOM 405 CD GLU A 29 -1.748 -0.882 4.746 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.551 -0.537 4.660 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.696 -0.172 4.346 1.00 0.00 O ATOM 0 H GLU A 29 -3.549 -3.334 7.035 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.436 -2.610 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.353 -1.895 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.943 -3.544 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.875 -3.014 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.130 -2.270 5.604 1.00 0.00 H new ATOM 414 N ASP A 30 -3.013 -0.094 7.283 1.00 0.00 N ATOM 415 CA ASP A 30 -3.258 1.341 7.366 1.00 0.00 C ATOM 416 C ASP A 30 -3.797 1.714 8.742 1.00 0.00 C ATOM 417 O ASP A 30 -3.511 2.792 9.260 1.00 0.00 O ATOM 418 CB ASP A 30 -4.244 1.777 6.278 1.00 0.00 C ATOM 419 CG ASP A 30 -3.560 2.509 5.140 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.878 3.519 5.411 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.708 2.073 3.979 1.00 0.00 O ATOM 0 H ASP A 30 -3.534 -0.569 6.546 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.312 1.860 7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.759 0.900 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.004 2.423 6.718 1.00 0.00 H new ATOM 426 N GLU A 31 -4.575 0.811 9.330 1.00 0.00 N ATOM 427 CA GLU A 31 -5.149 1.044 10.649 1.00 0.00 C ATOM 428 C GLU A 31 -4.063 0.998 11.717 1.00 0.00 C ATOM 429 O GLU A 31 -4.154 1.677 12.741 1.00 0.00 O ATOM 430 CB GLU A 31 -6.229 0.005 10.953 1.00 0.00 C ATOM 431 CG GLU A 31 -7.450 0.118 10.055 1.00 0.00 C ATOM 432 CD GLU A 31 -8.428 -1.025 10.256 1.00 0.00 C ATOM 433 OE1 GLU A 31 -9.253 -0.942 11.190 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.368 -2.001 9.478 1.00 0.00 O ATOM 0 H GLU A 31 -4.822 -0.087 8.914 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.605 2.034 10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.802 -0.992 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.541 0.111 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.956 1.063 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.130 0.139 9.013 1.00 0.00 H new ATOM 441 N ALA A 32 -3.032 0.199 11.471 1.00 0.00 N ATOM 442 CA ALA A 32 -1.927 0.075 12.409 1.00 0.00 C ATOM 443 C ALA A 32 -1.098 1.349 12.429 1.00 0.00 C ATOM 444 O ALA A 32 -0.627 1.782 13.481 1.00 0.00 O ATOM 445 CB ALA A 32 -1.059 -1.124 12.055 1.00 0.00 C ATOM 0 H ALA A 32 -2.939 -0.371 10.631 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.338 -0.081 13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.237 -1.201 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.660 -2.033 12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.657 -0.998 11.050 1.00 0.00 H new ATOM 451 N ILE A 33 -0.930 1.956 11.258 1.00 0.00 N ATOM 452 CA ILE A 33 -0.163 3.192 11.151 1.00 0.00 C ATOM 453 C ILE A 33 -0.872 4.324 11.868 1.00 0.00 C ATOM 454 O ILE A 33 -0.268 5.054 12.656 1.00 0.00 O ATOM 455 CB ILE A 33 0.059 3.615 9.688 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.445 2.407 8.834 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.124 4.695 9.619 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.872 2.767 7.425 1.00 0.00 C ATOM 0 H ILE A 33 -1.312 1.615 10.376 1.00 0.00 H new ATOM 0 HA ILE A 33 0.805 2.994 11.612 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.871 4.021 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.258 1.871 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.402 1.723 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.276 4.990 8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.803 5.560 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.059 4.311 10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.131 1.859 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.053 3.275 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.740 3.426 7.465 1.00 0.00 H new ATOM 470 N ILE A 34 -2.159 4.470 11.588 1.00 0.00 N ATOM 471 CA ILE A 34 -2.954 5.517 12.204 1.00 0.00 C ATOM 472 C ILE A 34 -2.943 5.377 13.722 1.00 0.00 C ATOM 473 O ILE A 34 -2.884 6.371 14.448 1.00 0.00 O ATOM 474 CB ILE A 34 -4.408 5.501 11.690 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.250 6.567 12.403 1.00 0.00 C ATOM 476 CG2 ILE A 34 -5.014 4.122 11.880 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.888 7.562 11.458 1.00 0.00 C ATOM 0 H ILE A 34 -2.673 3.875 10.938 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.505 6.471 11.928 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.402 5.735 10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.031 6.075 12.982 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.619 7.104 13.111 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.041 4.122 11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.430 3.388 11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.007 3.864 12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.468 8.286 12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.111 8.081 10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.545 7.036 10.765 1.00 0.00 H new ATOM 489 N LYS A 35 -2.985 4.137 14.196 1.00 0.00 N ATOM 490 CA LYS A 35 -2.966 3.873 15.629 1.00 0.00 C ATOM 491 C LYS A 35 -1.596 4.204 16.204 1.00 0.00 C ATOM 492 O LYS A 35 -1.479 4.687 17.331 1.00 0.00 O ATOM 493 CB LYS A 35 -3.314 2.409 15.908 1.00 0.00 C ATOM 494 CG LYS A 35 -3.833 2.165 17.314 1.00 0.00 C ATOM 495 CD LYS A 35 -5.282 2.603 17.456 1.00 0.00 C ATOM 496 CE LYS A 35 -6.030 1.738 18.457 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.088 2.370 19.804 1.00 0.00 N ATOM 0 H LYS A 35 -3.032 3.302 13.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.713 4.505 16.109 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.065 2.080 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.427 1.796 15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.746 1.106 17.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.216 2.707 18.030 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.319 3.645 17.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.776 2.549 16.486 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.043 1.559 18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.542 0.766 18.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.606 1.748 20.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.122 2.518 20.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.576 3.286 19.737 1.00 0.00 H new ATOM 511 N GLY A 36 -0.558 3.948 15.413 1.00 0.00 N ATOM 512 CA GLY A 36 0.795 4.232 15.846 1.00 0.00 C ATOM 513 C GLY A 36 1.097 5.716 15.839 1.00 0.00 C ATOM 514 O GLY A 36 1.803 6.220 16.712 1.00 0.00 O ATOM 0 H GLY A 36 -0.632 3.548 14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.944 3.837 16.851 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.500 3.716 15.194 1.00 0.00 H new ATOM 518 N LEU A 37 0.555 6.419 14.850 1.00 0.00 N ATOM 519 CA LEU A 37 0.765 7.856 14.728 1.00 0.00 C ATOM 520 C LEU A 37 -0.028 8.613 15.790 1.00 0.00 C ATOM 521 O LEU A 37 0.353 9.712 16.195 1.00 0.00 O ATOM 522 CB LEU A 37 0.360 8.333 13.331 1.00 0.00 C ATOM 523 CG LEU A 37 1.519 8.536 12.354 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.337 7.260 12.221 1.00 0.00 C ATOM 525 CD2 LEU A 37 0.999 8.981 10.996 1.00 0.00 C ATOM 0 H LEU A 37 -0.033 6.016 14.121 1.00 0.00 H new ATOM 0 HA LEU A 37 1.825 8.060 14.880 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.333 7.608 12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.182 9.274 13.428 1.00 0.00 H new ATOM 0 HG LEU A 37 2.167 9.319 12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.157 7.425 11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.741 6.984 13.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.700 6.456 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.837 9.121 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.328 8.221 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.458 9.921 11.104 1.00 0.00 H new ATOM 537 N ALA A 38 -1.131 8.020 16.238 1.00 0.00 N ATOM 538 CA ALA A 38 -1.972 8.645 17.251 1.00 0.00 C ATOM 539 C ALA A 38 -1.443 8.376 18.658 1.00 0.00 C ATOM 540 O ALA A 38 -1.754 9.108 19.597 1.00 0.00 O ATOM 541 CB ALA A 38 -3.406 8.152 17.122 1.00 0.00 C ATOM 0 H ALA A 38 -1.462 7.110 15.916 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.950 9.722 17.087 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.024 8.626 17.884 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.790 8.405 16.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.432 7.070 17.255 1.00 0.00 H new ATOM 547 N ARG A 39 -0.644 7.322 18.798 1.00 0.00 N ATOM 548 CA ARG A 39 -0.078 6.963 20.095 1.00 0.00 C ATOM 549 C ARG A 39 1.407 7.288 20.155 1.00 0.00 C ATOM 550 O ARG A 39 1.860 8.024 21.033 1.00 0.00 O ATOM 551 CB ARG A 39 -0.302 5.475 20.378 1.00 0.00 C ATOM 552 CG ARG A 39 -0.801 5.193 21.787 1.00 0.00 C ATOM 553 CD ARG A 39 -2.319 5.234 21.856 1.00 0.00 C ATOM 554 NE ARG A 39 -2.816 4.875 23.183 1.00 0.00 N ATOM 555 CZ ARG A 39 -2.759 5.683 24.240 1.00 0.00 C ATOM 556 NH1 ARG A 39 -2.229 6.895 24.131 1.00 0.00 N ATOM 557 NH2 ARG A 39 -3.237 5.278 25.409 1.00 0.00 N ATOM 0 H ARG A 39 -0.375 6.704 18.033 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.586 7.552 20.858 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.022 5.081 19.661 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.633 4.938 20.218 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.447 4.214 22.111 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.384 5.927 22.476 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.667 6.234 21.597 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.734 4.550 21.116 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.231 3.951 23.307 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.862 7.212 23.234 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.188 7.509 24.945 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.648 4.349 25.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.194 5.896 26.219 1.00 0.00 H new ATOM 571 N PHE A 40 2.156 6.735 19.217 1.00 0.00 N ATOM 572 CA PHE A 40 3.593 6.956 19.154 1.00 0.00 C ATOM 573 C PHE A 40 3.913 8.244 18.403 1.00 0.00 C ATOM 574 O PHE A 40 3.611 8.373 17.218 1.00 0.00 O ATOM 575 CB PHE A 40 4.273 5.773 18.472 1.00 0.00 C ATOM 576 CG PHE A 40 4.459 4.586 19.373 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.383 3.776 19.702 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.707 4.280 19.890 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.550 2.684 20.531 1.00 0.00 C ATOM 580 CE2 PHE A 40 5.879 3.189 20.720 1.00 0.00 C ATOM 581 CZ PHE A 40 4.799 2.390 21.041 1.00 0.00 C ATOM 0 H PHE A 40 1.792 6.126 18.484 1.00 0.00 H new ATOM 0 HA PHE A 40 3.970 7.050 20.172 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.681 5.473 17.607 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.246 6.090 18.097 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.404 4.001 19.306 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.555 4.901 19.642 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.704 2.060 20.780 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.857 2.961 21.117 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.931 1.537 21.690 1.00 0.00 H new ATOM 591 N THR A 41 4.523 9.196 19.103 1.00 0.00 N ATOM 592 CA THR A 41 4.882 10.474 18.502 1.00 0.00 C ATOM 593 C THR A 41 5.738 11.302 19.457 1.00 0.00 C ATOM 594 O THR A 41 5.226 12.149 20.190 1.00 0.00 O ATOM 595 CB THR A 41 3.622 11.255 18.121 1.00 0.00 C ATOM 596 OG1 THR A 41 2.542 10.906 18.967 1.00 0.00 O ATOM 597 CG2 THR A 41 3.182 11.021 16.692 1.00 0.00 C ATOM 0 H THR A 41 4.778 9.106 20.086 1.00 0.00 H new ATOM 0 HA THR A 41 5.463 10.274 17.602 1.00 0.00 H new ATOM 0 HB THR A 41 3.888 12.306 18.234 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.746 11.416 18.709 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.284 11.604 16.488 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.976 11.328 16.012 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.968 9.962 16.546 1.00 0.00 H new ATOM 605 N LYS A 42 7.043 11.052 19.443 1.00 0.00 N ATOM 606 CA LYS A 42 7.968 11.775 20.308 1.00 0.00 C ATOM 607 C LYS A 42 9.263 12.103 19.570 1.00 0.00 C ATOM 608 O LYS A 42 10.335 12.154 20.171 1.00 0.00 O ATOM 609 CB LYS A 42 8.277 10.951 21.559 1.00 0.00 C ATOM 610 CG LYS A 42 7.035 10.456 22.282 1.00 0.00 C ATOM 611 CD LYS A 42 6.698 9.026 21.894 1.00 0.00 C ATOM 612 CE LYS A 42 5.416 8.555 22.563 1.00 0.00 C ATOM 613 NZ LYS A 42 5.693 7.767 23.796 1.00 0.00 N ATOM 0 H LYS A 42 7.484 10.355 18.843 1.00 0.00 H new ATOM 0 HA LYS A 42 7.493 12.710 20.603 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.890 10.094 21.278 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.870 11.556 22.245 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.192 10.515 23.359 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.192 11.106 22.047 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.591 8.957 20.811 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.520 8.368 22.176 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.799 9.418 22.814 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.843 7.946 21.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.795 7.464 24.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.261 6.930 23.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.217 8.356 24.474 1.00 0.00 H new ATOM 627 N GLY A 43 9.154 12.325 18.264 1.00 0.00 N ATOM 628 CA GLY A 43 10.323 12.645 17.466 1.00 0.00 C ATOM 629 C GLY A 43 9.974 13.406 16.203 1.00 0.00 C ATOM 630 O GLY A 43 8.817 13.770 15.989 1.00 0.00 O ATOM 0 H GLY A 43 8.277 12.289 17.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.015 13.238 18.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.840 11.723 17.200 1.00 0.00 H new ATOM 634 N GLN A 44 10.976 13.648 15.365 1.00 0.00 N ATOM 635 CA GLN A 44 10.769 14.371 14.115 1.00 0.00 C ATOM 636 C GLN A 44 10.205 13.446 13.040 1.00 0.00 C ATOM 637 O GLN A 44 9.248 13.793 12.348 1.00 0.00 O ATOM 638 CB GLN A 44 12.084 14.987 13.634 1.00 0.00 C ATOM 639 CG GLN A 44 11.929 16.396 13.082 1.00 0.00 C ATOM 640 CD GLN A 44 13.019 17.336 13.564 1.00 0.00 C ATOM 641 OE1 GLN A 44 13.710 17.965 12.762 1.00 0.00 O ATOM 642 NE2 GLN A 44 13.176 17.434 14.879 1.00 0.00 N ATOM 0 H GLN A 44 11.939 13.354 15.528 1.00 0.00 H new ATOM 0 HA GLN A 44 10.049 15.168 14.300 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.792 15.006 14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.514 14.348 12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.942 16.359 11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.957 16.792 13.376 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.580 16.893 15.506 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.893 18.050 15.263 1.00 0.00 H new ATOM 651 N GLN A 45 10.802 12.266 12.909 1.00 0.00 N ATOM 652 CA GLN A 45 10.359 11.289 11.922 1.00 0.00 C ATOM 653 C GLN A 45 9.844 10.026 12.604 1.00 0.00 C ATOM 654 O GLN A 45 10.484 8.975 12.555 1.00 0.00 O ATOM 655 CB GLN A 45 11.503 10.941 10.967 1.00 0.00 C ATOM 656 CG GLN A 45 11.597 11.870 9.768 1.00 0.00 C ATOM 657 CD GLN A 45 13.030 12.219 9.413 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.945 11.419 9.616 1.00 0.00 O ATOM 659 NE2 GLN A 45 13.232 13.418 8.881 1.00 0.00 N ATOM 0 H GLN A 45 11.595 11.963 13.475 1.00 0.00 H new ATOM 0 HA GLN A 45 9.543 11.730 11.350 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.445 10.972 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.373 9.918 10.614 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.118 11.399 8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.045 12.786 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.444 14.048 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.175 13.709 8.622 1.00 0.00 H new ATOM 668 N ARG A 46 8.685 10.138 13.242 1.00 0.00 N ATOM 669 CA ARG A 46 8.082 9.007 13.938 1.00 0.00 C ATOM 670 C ARG A 46 7.441 8.033 12.952 1.00 0.00 C ATOM 671 O ARG A 46 7.273 6.853 13.255 1.00 0.00 O ATOM 672 CB ARG A 46 7.034 9.497 14.939 1.00 0.00 C ATOM 673 CG ARG A 46 6.620 8.439 15.949 1.00 0.00 C ATOM 674 CD ARG A 46 7.502 8.471 17.189 1.00 0.00 C ATOM 675 NE ARG A 46 8.311 7.262 17.317 1.00 0.00 N ATOM 676 CZ ARG A 46 9.358 7.153 18.131 1.00 0.00 C ATOM 677 NH1 ARG A 46 9.727 8.178 18.889 1.00 0.00 N ATOM 678 NH2 ARG A 46 10.039 6.017 18.186 1.00 0.00 N ATOM 0 H ARG A 46 8.143 11.001 13.292 1.00 0.00 H new ATOM 0 HA ARG A 46 8.873 8.483 14.474 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.428 10.362 15.472 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.152 9.833 14.394 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.581 8.597 16.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.676 7.453 15.487 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.156 9.342 17.146 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.878 8.585 18.075 1.00 0.00 H new ATOM 0 HE ARG A 46 8.059 6.453 16.749 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.207 9.055 18.849 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.530 8.089 19.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.760 5.227 17.604 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.842 5.933 18.810 1.00 0.00 H new ATOM 692 N PHE A 47 7.078 8.533 11.775 1.00 0.00 N ATOM 693 CA PHE A 47 6.449 7.704 10.751 1.00 0.00 C ATOM 694 C PHE A 47 7.285 6.463 10.443 1.00 0.00 C ATOM 695 O PHE A 47 6.761 5.353 10.370 1.00 0.00 O ATOM 696 CB PHE A 47 6.235 8.515 9.472 1.00 0.00 C ATOM 697 CG PHE A 47 5.310 9.685 9.652 1.00 0.00 C ATOM 698 CD1 PHE A 47 5.797 10.910 10.080 1.00 0.00 C ATOM 699 CD2 PHE A 47 3.955 9.561 9.390 1.00 0.00 C ATOM 700 CE1 PHE A 47 4.948 11.988 10.245 1.00 0.00 C ATOM 701 CE2 PHE A 47 3.102 10.635 9.553 1.00 0.00 C ATOM 702 CZ PHE A 47 3.600 11.851 9.981 1.00 0.00 C ATOM 0 H PHE A 47 7.208 9.508 11.506 1.00 0.00 H new ATOM 0 HA PHE A 47 5.485 7.375 11.138 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.199 8.876 9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.833 7.860 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.851 11.023 10.287 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.561 8.613 9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.339 12.937 10.580 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.048 10.525 9.346 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.936 12.693 10.109 1.00 0.00 H new ATOM 712 N GLN A 48 8.586 6.659 10.255 1.00 0.00 N ATOM 713 CA GLN A 48 9.484 5.551 9.949 1.00 0.00 C ATOM 714 C GLN A 48 9.673 4.638 11.160 1.00 0.00 C ATOM 715 O GLN A 48 9.593 3.415 11.045 1.00 0.00 O ATOM 716 CB GLN A 48 10.842 6.077 9.474 1.00 0.00 C ATOM 717 CG GLN A 48 11.529 6.988 10.477 1.00 0.00 C ATOM 718 CD GLN A 48 12.860 7.511 9.974 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.416 6.993 9.004 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.378 8.541 10.630 1.00 0.00 N ATOM 0 H GLN A 48 9.041 7.570 10.309 1.00 0.00 H new ATOM 0 HA GLN A 48 9.028 4.967 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.494 5.231 9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.705 6.619 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.875 7.830 10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.685 6.444 11.409 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.883 8.939 11.428 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.272 8.935 10.336 1.00 0.00 H new ATOM 729 N GLN A 49 9.922 5.240 12.320 1.00 0.00 N ATOM 730 CA GLN A 49 10.121 4.475 13.547 1.00 0.00 C ATOM 731 C GLN A 49 8.907 3.597 13.835 1.00 0.00 C ATOM 732 O GLN A 49 9.035 2.393 14.067 1.00 0.00 O ATOM 733 CB GLN A 49 10.385 5.415 14.725 1.00 0.00 C ATOM 734 CG GLN A 49 11.630 5.061 15.520 1.00 0.00 C ATOM 735 CD GLN A 49 12.408 6.284 15.962 1.00 0.00 C ATOM 736 OE1 GLN A 49 12.642 7.204 15.176 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.816 6.302 17.226 1.00 0.00 N ATOM 0 H GLN A 49 9.991 6.251 12.436 1.00 0.00 H new ATOM 0 HA GLN A 49 10.990 3.831 13.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.481 6.434 14.351 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.522 5.400 15.391 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.343 4.481 16.397 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.275 4.425 14.914 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.600 5.519 17.843 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.345 7.099 17.580 1.00 0.00 H new ATOM 746 N ILE A 50 7.728 4.207 13.805 1.00 0.00 N ATOM 747 CA ILE A 50 6.491 3.482 14.050 1.00 0.00 C ATOM 748 C ILE A 50 6.310 2.377 13.014 1.00 0.00 C ATOM 749 O ILE A 50 5.836 1.285 13.329 1.00 0.00 O ATOM 750 CB ILE A 50 5.265 4.429 14.038 1.00 0.00 C ATOM 751 CG1 ILE A 50 4.047 3.739 14.659 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.953 4.908 12.626 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.489 2.606 13.825 1.00 0.00 C ATOM 0 H ILE A 50 7.604 5.201 13.613 1.00 0.00 H new ATOM 0 HA ILE A 50 6.560 3.035 15.042 1.00 0.00 H new ATOM 0 HB ILE A 50 5.510 5.304 14.640 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.322 3.353 15.640 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.264 4.480 14.817 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.088 5.571 12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.812 5.447 12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.735 4.050 11.990 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.629 2.170 14.333 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.180 2.988 12.852 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.255 1.843 13.688 1.00 0.00 H new ATOM 765 N TYR A 51 6.702 2.669 11.776 1.00 0.00 N ATOM 766 CA TYR A 51 6.595 1.699 10.692 1.00 0.00 C ATOM 767 C TYR A 51 7.296 0.400 11.063 1.00 0.00 C ATOM 768 O TYR A 51 6.755 -0.690 10.870 1.00 0.00 O ATOM 769 CB TYR A 51 7.195 2.264 9.402 1.00 0.00 C ATOM 770 CG TYR A 51 7.089 1.322 8.225 1.00 0.00 C ATOM 771 CD1 TYR A 51 8.044 0.336 8.013 1.00 0.00 C ATOM 772 CD2 TYR A 51 6.035 1.418 7.326 1.00 0.00 C ATOM 773 CE1 TYR A 51 7.952 -0.528 6.938 1.00 0.00 C ATOM 774 CE2 TYR A 51 5.934 0.556 6.250 1.00 0.00 C ATOM 775 CZ TYR A 51 6.896 -0.415 6.060 1.00 0.00 C ATOM 776 OH TYR A 51 6.798 -1.272 4.989 1.00 0.00 O ATOM 0 H TYR A 51 7.096 3.568 11.500 1.00 0.00 H new ATOM 0 HA TYR A 51 5.537 1.493 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.692 3.199 9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.245 2.503 9.573 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.872 0.243 8.700 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.282 2.179 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.704 -1.288 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.106 0.642 5.562 1.00 0.00 H new ATOM 0 HH TYR A 51 5.995 -1.057 4.470 1.00 0.00 H new ATOM 786 N TYR A 52 8.500 0.527 11.603 1.00 0.00 N ATOM 787 CA TYR A 52 9.281 -0.632 12.012 1.00 0.00 C ATOM 788 C TYR A 52 8.635 -1.325 13.207 1.00 0.00 C ATOM 789 O TYR A 52 8.700 -2.547 13.342 1.00 0.00 O ATOM 790 CB TYR A 52 10.709 -0.214 12.366 1.00 0.00 C ATOM 791 CG TYR A 52 11.625 -0.101 11.169 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.406 0.860 10.189 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.713 -0.953 11.020 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.245 0.967 9.095 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.555 -0.851 9.930 1.00 0.00 C ATOM 796 CZ TYR A 52 13.317 0.110 8.970 1.00 0.00 C ATOM 797 OH TYR A 52 14.155 0.214 7.885 1.00 0.00 O ATOM 0 H TYR A 52 8.958 1.423 11.768 1.00 0.00 H new ATOM 0 HA TYR A 52 9.311 -1.332 11.177 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.680 0.746 12.881 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.127 -0.938 13.065 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.567 1.534 10.283 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.903 -1.707 11.769 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.061 1.719 8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.396 -1.521 9.830 1.00 0.00 H new ATOM 0 HH TYR A 52 14.401 -0.682 7.575 1.00 0.00 H new ATOM 807 N ALA A 53 8.015 -0.532 14.077 1.00 0.00 N ATOM 808 CA ALA A 53 7.361 -1.069 15.266 1.00 0.00 C ATOM 809 C ALA A 53 6.153 -1.923 14.901 1.00 0.00 C ATOM 810 O ALA A 53 6.030 -3.064 15.346 1.00 0.00 O ATOM 811 CB ALA A 53 6.950 0.063 16.193 1.00 0.00 C ATOM 0 H ALA A 53 7.952 0.482 13.981 1.00 0.00 H new ATOM 0 HA ALA A 53 8.075 -1.711 15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.463 -0.349 17.077 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.834 0.625 16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.258 0.726 15.673 1.00 0.00 H new ATOM 817 N TYR A 54 5.262 -1.363 14.093 1.00 0.00 N ATOM 818 CA TYR A 54 4.060 -2.076 13.670 1.00 0.00 C ATOM 819 C TYR A 54 4.365 -3.083 12.557 1.00 0.00 C ATOM 820 O TYR A 54 3.474 -3.804 12.109 1.00 0.00 O ATOM 821 CB TYR A 54 2.974 -1.081 13.230 1.00 0.00 C ATOM 822 CG TYR A 54 2.909 -0.829 11.736 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.242 -1.710 10.892 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.504 0.291 11.173 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.176 -1.482 9.530 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.440 0.527 9.813 1.00 0.00 C ATOM 827 CZ TYR A 54 2.775 -0.363 8.997 1.00 0.00 C ATOM 828 OH TYR A 54 2.711 -0.130 7.641 1.00 0.00 O ATOM 0 H TYR A 54 5.347 -0.419 13.717 1.00 0.00 H new ATOM 0 HA TYR A 54 3.687 -2.641 14.524 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.005 -1.452 13.564 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.144 -0.131 13.737 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.768 -2.587 11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.026 0.991 11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.657 -2.178 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.909 1.404 9.392 1.00 0.00 H new ATOM 0 HH TYR A 54 3.610 0.054 7.298 1.00 0.00 H new ATOM 838 N ARG A 55 5.621 -3.128 12.116 1.00 0.00 N ATOM 839 CA ARG A 55 6.031 -4.048 11.058 1.00 0.00 C ATOM 840 C ARG A 55 5.702 -5.494 11.422 1.00 0.00 C ATOM 841 O ARG A 55 6.549 -6.220 11.945 1.00 0.00 O ATOM 842 CB ARG A 55 7.532 -3.908 10.792 1.00 0.00 C ATOM 843 CG ARG A 55 7.908 -4.053 9.326 1.00 0.00 C ATOM 844 CD ARG A 55 9.147 -3.241 8.986 1.00 0.00 C ATOM 845 NE ARG A 55 10.089 -3.999 8.165 1.00 0.00 N ATOM 846 CZ ARG A 55 10.935 -4.904 8.651 1.00 0.00 C ATOM 847 NH1 ARG A 55 10.959 -5.168 9.952 1.00 0.00 N ATOM 848 NH2 ARG A 55 11.757 -5.548 7.834 1.00 0.00 N ATOM 0 H ARG A 55 6.372 -2.538 12.475 1.00 0.00 H new ATOM 0 HA ARG A 55 5.477 -3.790 10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.866 -2.934 11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.067 -4.661 11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.086 -5.104 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.076 -3.728 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.853 -2.335 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.639 -2.927 9.907 1.00 0.00 H new ATOM 0 HE ARG A 55 10.099 -3.824 7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.327 -4.676 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.609 -5.863 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.741 -5.350 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.406 -6.242 8.206 1.00 0.00 H new ATOM 862 N SER A 56 4.470 -5.904 11.141 1.00 0.00 N ATOM 863 CA SER A 56 4.023 -7.262 11.437 1.00 0.00 C ATOM 864 C SER A 56 2.547 -7.436 11.087 1.00 0.00 C ATOM 865 O SER A 56 1.804 -8.104 11.807 1.00 0.00 O ATOM 866 CB SER A 56 4.252 -7.592 12.914 1.00 0.00 C ATOM 867 OG SER A 56 4.806 -8.887 13.068 1.00 0.00 O ATOM 0 H SER A 56 3.760 -5.314 10.707 1.00 0.00 H new ATOM 0 HA SER A 56 4.608 -7.950 10.827 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.920 -6.853 13.356 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.307 -7.531 13.454 1.00 0.00 H new ATOM 0 HG SER A 56 4.944 -9.073 14.020 1.00 0.00 H new ATOM 873 N VAL A 57 2.130 -6.828 9.981 1.00 0.00 N ATOM 874 CA VAL A 57 0.744 -6.914 9.538 1.00 0.00 C ATOM 875 C VAL A 57 0.661 -7.165 8.037 1.00 0.00 C ATOM 876 O VAL A 57 -0.089 -8.027 7.580 1.00 0.00 O ATOM 877 CB VAL A 57 -0.034 -5.628 9.873 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.305 -5.538 11.366 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.728 -4.404 9.388 1.00 0.00 C ATOM 0 H VAL A 57 2.732 -6.271 9.375 1.00 0.00 H new ATOM 0 HA VAL A 57 0.294 -7.752 10.070 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.993 -5.661 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.856 -4.622 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.895 -6.399 11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.641 -5.528 11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.164 -3.504 9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.702 -4.365 9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.864 -4.464 8.308 1.00 0.00 H new ATOM 889 N TRP A 58 1.439 -6.404 7.272 1.00 0.00 N ATOM 890 CA TRP A 58 1.454 -6.541 5.821 1.00 0.00 C ATOM 891 C TRP A 58 2.799 -7.076 5.338 1.00 0.00 C ATOM 892 O TRP A 58 3.715 -7.290 6.132 1.00 0.00 O ATOM 893 CB TRP A 58 1.155 -5.192 5.158 1.00 0.00 C ATOM 894 CG TRP A 58 -0.091 -5.201 4.327 1.00 0.00 C ATOM 895 CD1 TRP A 58 -1.181 -6.005 4.492 1.00 0.00 C ATOM 896 CD2 TRP A 58 -0.375 -4.365 3.199 1.00 0.00 C ATOM 897 NE1 TRP A 58 -2.126 -5.722 3.534 1.00 0.00 N ATOM 898 CE2 TRP A 58 -1.655 -4.718 2.730 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.328 -3.352 2.542 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -2.243 -4.094 1.633 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -0.258 -2.732 1.454 1.00 0.00 C ATOM 902 CH2 TRP A 58 -1.533 -3.105 1.009 1.00 0.00 C ATOM 0 H TRP A 58 2.067 -5.686 7.634 1.00 0.00 H new ATOM 0 HA TRP A 58 0.680 -7.255 5.539 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.062 -4.429 5.930 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.000 -4.909 4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.286 -6.754 5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.030 -6.184 3.438 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.312 -3.059 2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.225 -4.381 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.276 -1.947 0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.964 -2.602 0.156 1.00 0.00 H new ATOM 913 N HIS A 59 2.910 -7.290 4.031 1.00 0.00 N ATOM 914 CA HIS A 59 4.143 -7.800 3.440 1.00 0.00 C ATOM 915 C HIS A 59 4.699 -6.821 2.407 1.00 0.00 C ATOM 916 O HIS A 59 4.791 -7.142 1.221 1.00 0.00 O ATOM 917 CB HIS A 59 3.895 -9.164 2.792 1.00 0.00 C ATOM 918 CG HIS A 59 3.661 -10.263 3.780 1.00 0.00 C ATOM 919 ND1 HIS A 59 2.447 -10.474 4.400 1.00 0.00 N ATOM 920 CD2 HIS A 59 4.495 -11.218 4.257 1.00 0.00 C ATOM 921 CE1 HIS A 59 2.545 -11.509 5.215 1.00 0.00 C ATOM 922 NE2 HIS A 59 3.776 -11.979 5.145 1.00 0.00 N ATOM 0 H HIS A 59 2.161 -7.118 3.360 1.00 0.00 H new ATOM 0 HA HIS A 59 4.880 -7.913 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.031 -9.091 2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.752 -9.422 2.170 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.532 -11.355 3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.752 -11.903 5.833 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.135 -12.779 5.666 1.00 0.00 H new ATOM 931 N PRO A 60 5.077 -5.609 2.845 1.00 0.00 N ATOM 932 CA PRO A 60 5.624 -4.582 1.954 1.00 0.00 C ATOM 933 C PRO A 60 7.037 -4.915 1.487 1.00 0.00 C ATOM 934 O PRO A 60 7.784 -5.607 2.179 1.00 0.00 O ATOM 935 CB PRO A 60 5.630 -3.326 2.824 1.00 0.00 C ATOM 936 CG PRO A 60 5.739 -3.834 4.220 1.00 0.00 C ATOM 937 CD PRO A 60 4.999 -5.143 4.244 1.00 0.00 C ATOM 0 HA PRO A 60 5.039 -4.480 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.467 -2.674 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.719 -2.743 2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.782 -3.970 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.305 -3.127 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.461 -5.853 4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.966 -5.014 4.567 1.00 0.00 H new ATOM 945 N ALA A 61 7.400 -4.415 0.309 1.00 0.00 N ATOM 946 CA ALA A 61 8.724 -4.657 -0.249 1.00 0.00 C ATOM 947 C ALA A 61 9.744 -3.671 0.309 1.00 0.00 C ATOM 948 O ALA A 61 10.874 -4.042 0.624 1.00 0.00 O ATOM 949 CB ALA A 61 8.679 -4.572 -1.767 1.00 0.00 C ATOM 0 H ALA A 61 6.795 -3.840 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 61 9.035 -5.661 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.675 -4.755 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.988 -5.321 -2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.343 -3.579 -2.066 1.00 0.00 H new ATOM 955 N ARG A 62 9.335 -2.411 0.430 1.00 0.00 N ATOM 956 CA ARG A 62 10.212 -1.370 0.953 1.00 0.00 C ATOM 957 C ARG A 62 9.585 -0.691 2.165 1.00 0.00 C ATOM 958 O ARG A 62 8.384 -0.421 2.185 1.00 0.00 O ATOM 959 CB ARG A 62 10.508 -0.331 -0.131 1.00 0.00 C ATOM 960 CG ARG A 62 11.311 -0.879 -1.297 1.00 0.00 C ATOM 961 CD ARG A 62 10.408 -1.469 -2.369 1.00 0.00 C ATOM 962 NE ARG A 62 9.690 -0.437 -3.110 1.00 0.00 N ATOM 963 CZ ARG A 62 9.128 -0.633 -4.300 1.00 0.00 C ATOM 964 NH1 ARG A 62 9.198 -1.822 -4.887 1.00 0.00 N ATOM 965 NH2 ARG A 62 8.492 0.362 -4.905 1.00 0.00 N ATOM 0 H ARG A 62 8.403 -2.087 0.173 1.00 0.00 H new ATOM 0 HA ARG A 62 11.146 -1.838 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.566 0.069 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.053 0.501 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.917 -0.082 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.999 -1.644 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.007 -2.062 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.691 -2.147 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 62 9.614 0.490 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.684 -2.591 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.765 -1.967 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.434 1.277 -4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.061 0.212 -5.817 1.00 0.00 H new ATOM 979 N THR A 63 10.404 -0.420 3.177 1.00 0.00 N ATOM 980 CA THR A 63 9.923 0.227 4.393 1.00 0.00 C ATOM 981 C THR A 63 10.000 1.742 4.270 1.00 0.00 C ATOM 982 O THR A 63 10.791 2.270 3.488 1.00 0.00 O ATOM 983 CB THR A 63 10.731 -0.243 5.605 1.00 0.00 C ATOM 984 OG1 THR A 63 10.454 0.566 6.734 1.00 0.00 O ATOM 985 CG2 THR A 63 12.226 -0.212 5.377 1.00 0.00 C ATOM 0 H THR A 63 11.401 -0.638 3.179 1.00 0.00 H new ATOM 0 HA THR A 63 8.879 -0.054 4.534 1.00 0.00 H new ATOM 0 HB THR A 63 10.427 -1.276 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.485 0.674 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.738 -0.557 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.480 -0.864 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.538 0.807 5.150 1.00 0.00 H new ATOM 993 N VAL A 64 9.161 2.432 5.037 1.00 0.00 N ATOM 994 CA VAL A 64 9.107 3.891 5.016 1.00 0.00 C ATOM 995 C VAL A 64 8.505 4.387 3.707 1.00 0.00 C ATOM 996 O VAL A 64 7.541 5.153 3.708 1.00 0.00 O ATOM 997 CB VAL A 64 10.496 4.524 5.236 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.437 6.038 5.078 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.024 4.150 6.613 1.00 0.00 C ATOM 0 H VAL A 64 8.504 2.000 5.686 1.00 0.00 H new ATOM 0 HA VAL A 64 8.468 4.201 5.843 1.00 0.00 H new ATOM 0 HB VAL A 64 11.177 4.136 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.429 6.459 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.095 6.286 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.744 6.453 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.005 4.601 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.338 4.515 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.108 3.066 6.689 1.00 0.00 H new ATOM 1009 N SER A 65 9.055 3.926 2.590 1.00 0.00 N ATOM 1010 CA SER A 65 8.542 4.304 1.283 1.00 0.00 C ATOM 1011 C SER A 65 7.095 3.849 1.167 1.00 0.00 C ATOM 1012 O SER A 65 6.227 4.591 0.703 1.00 0.00 O ATOM 1013 CB SER A 65 9.387 3.680 0.170 1.00 0.00 C ATOM 1014 OG SER A 65 9.531 4.573 -0.922 1.00 0.00 O ATOM 0 H SER A 65 9.854 3.292 2.565 1.00 0.00 H new ATOM 0 HA SER A 65 8.594 5.388 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.370 3.416 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.920 2.756 -0.171 1.00 0.00 H new ATOM 0 HG SER A 65 10.076 4.152 -1.619 1.00 0.00 H new ATOM 1020 N GLN A 66 6.840 2.630 1.629 1.00 0.00 N ATOM 1021 CA GLN A 66 5.494 2.085 1.611 1.00 0.00 C ATOM 1022 C GLN A 66 4.613 2.907 2.538 1.00 0.00 C ATOM 1023 O GLN A 66 3.457 3.197 2.230 1.00 0.00 O ATOM 1024 CB GLN A 66 5.501 0.617 2.049 1.00 0.00 C ATOM 1025 CG GLN A 66 5.542 -0.364 0.889 1.00 0.00 C ATOM 1026 CD GLN A 66 4.391 -0.171 -0.077 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.702 0.270 -1.291 1.00 0.00 O flip ATOM 1028 NE2 GLN A 66 3.233 -0.418 0.261 1.00 0.00 N flip ATOM 0 H GLN A 66 7.546 2.005 2.018 1.00 0.00 H new ATOM 0 HA GLN A 66 5.101 2.132 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.364 0.443 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.612 0.421 2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.484 -0.249 0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.519 -1.382 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.038 -0.755 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.469 -0.286 -0.402 1.00 0.00 H new ATOM 1037 N LEU A 67 5.189 3.302 3.671 1.00 0.00 N ATOM 1038 CA LEU A 67 4.485 4.116 4.651 1.00 0.00 C ATOM 1039 C LEU A 67 3.957 5.379 3.995 1.00 0.00 C ATOM 1040 O LEU A 67 2.784 5.727 4.135 1.00 0.00 O ATOM 1041 CB LEU A 67 5.426 4.475 5.807 1.00 0.00 C ATOM 1042 CG LEU A 67 4.744 5.037 7.056 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.145 6.403 6.767 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.678 4.077 7.562 1.00 0.00 C ATOM 0 H LEU A 67 6.147 3.068 3.931 1.00 0.00 H new ATOM 0 HA LEU A 67 3.643 3.547 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.985 3.583 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.151 5.206 5.449 1.00 0.00 H new ATOM 0 HG LEU A 67 5.496 5.152 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.664 6.787 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.934 7.088 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.406 6.315 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.205 4.495 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.926 3.927 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.138 3.121 7.811 1.00 0.00 H new ATOM 1056 N TYR A 68 4.831 6.053 3.266 1.00 0.00 N ATOM 1057 CA TYR A 68 4.457 7.270 2.568 1.00 0.00 C ATOM 1058 C TYR A 68 3.408 6.961 1.509 1.00 0.00 C ATOM 1059 O TYR A 68 2.587 7.810 1.171 1.00 0.00 O ATOM 1060 CB TYR A 68 5.687 7.915 1.923 1.00 0.00 C ATOM 1061 CG TYR A 68 6.545 8.697 2.896 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.567 8.380 4.251 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.334 9.753 2.458 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.351 9.094 5.137 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.121 10.471 3.339 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.126 10.137 4.676 1.00 0.00 C ATOM 1067 OH TYR A 68 8.907 10.850 5.557 1.00 0.00 O ATOM 0 H TYR A 68 5.805 5.777 3.143 1.00 0.00 H new ATOM 0 HA TYR A 68 4.036 7.972 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.294 7.137 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.360 8.581 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.962 7.563 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.333 10.018 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.357 8.836 6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.729 11.289 2.981 1.00 0.00 H new ATOM 0 HH TYR A 68 9.392 11.550 5.072 1.00 0.00 H new ATOM 1077 N ASP A 69 3.437 5.735 0.990 1.00 0.00 N ATOM 1078 CA ASP A 69 2.479 5.323 -0.028 1.00 0.00 C ATOM 1079 C ASP A 69 1.069 5.254 0.545 1.00 0.00 C ATOM 1080 O ASP A 69 0.129 5.789 -0.043 1.00 0.00 O ATOM 1081 CB ASP A 69 2.874 3.971 -0.629 1.00 0.00 C ATOM 1082 CG ASP A 69 4.284 3.974 -1.185 1.00 0.00 C ATOM 1083 OD1 ASP A 69 4.866 5.071 -1.323 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.805 2.880 -1.487 1.00 0.00 O ATOM 0 H ASP A 69 4.109 5.016 1.257 1.00 0.00 H new ATOM 0 HA ASP A 69 2.491 6.072 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.790 3.198 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.174 3.711 -1.423 1.00 0.00 H new ATOM 1089 N HIS A 70 0.920 4.615 1.701 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.394 4.523 2.334 1.00 0.00 C ATOM 1091 C HIS A 70 -0.731 5.844 3.008 1.00 0.00 C ATOM 1092 O HIS A 70 -1.896 6.233 3.100 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.483 3.380 3.361 1.00 0.00 C ATOM 1094 CG HIS A 70 0.704 2.471 3.407 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.654 2.536 4.401 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.078 1.454 2.595 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.560 1.600 4.202 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.236 0.927 3.113 1.00 0.00 N ATOM 0 H HIS A 70 1.677 4.160 2.212 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.115 4.303 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.628 3.813 4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.369 2.784 3.141 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.656 3.204 5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.563 1.120 1.707 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.423 1.414 4.825 1.00 0.00 H new ATOM 1107 N TRP A 71 0.305 6.531 3.472 1.00 0.00 N ATOM 1108 CA TRP A 71 0.140 7.813 4.135 1.00 0.00 C ATOM 1109 C TRP A 71 -0.224 8.897 3.127 1.00 0.00 C ATOM 1110 O TRP A 71 -0.986 9.813 3.435 1.00 0.00 O ATOM 1111 CB TRP A 71 1.425 8.183 4.877 1.00 0.00 C ATOM 1112 CG TRP A 71 1.277 9.385 5.761 1.00 0.00 C ATOM 1113 CD1 TRP A 71 0.235 9.667 6.595 1.00 0.00 C ATOM 1114 CD2 TRP A 71 2.205 10.468 5.895 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.458 10.858 7.242 1.00 0.00 N ATOM 1116 CE2 TRP A 71 1.660 11.369 6.828 1.00 0.00 C ATOM 1117 CE3 TRP A 71 3.444 10.763 5.317 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 2.312 12.544 7.196 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 4.088 11.928 5.683 1.00 0.00 C ATOM 1120 CH2 TRP A 71 3.522 12.807 6.616 1.00 0.00 C ATOM 0 H TRP A 71 1.273 6.217 3.399 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.674 7.733 4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.744 7.334 5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.215 8.371 4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.638 9.045 6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.169 11.291 7.920 1.00 0.00 H new ATOM 0 HE3 TRP A 71 3.889 10.092 4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.877 13.223 7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.045 12.166 5.242 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.052 13.710 6.882 1.00 0.00 H new ATOM 1131 N ARG A 72 0.310 8.778 1.914 1.00 0.00 N ATOM 1132 CA ARG A 72 0.020 9.749 0.865 1.00 0.00 C ATOM 1133 C ARG A 72 -1.375 9.513 0.308 1.00 0.00 C ATOM 1134 O ARG A 72 -2.141 10.452 0.099 1.00 0.00 O ATOM 1135 CB ARG A 72 1.058 9.661 -0.256 1.00 0.00 C ATOM 1136 CG ARG A 72 0.965 10.797 -1.260 1.00 0.00 C ATOM 1137 CD ARG A 72 1.510 12.093 -0.686 1.00 0.00 C ATOM 1138 NE ARG A 72 2.936 12.258 -0.962 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.421 12.699 -2.120 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.601 13.017 -3.115 1.00 0.00 N ATOM 1141 NH2 ARG A 72 4.732 12.819 -2.287 1.00 0.00 N ATOM 0 H ARG A 72 0.940 8.026 1.636 1.00 0.00 H new ATOM 0 HA ARG A 72 0.066 10.749 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.056 9.656 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.936 8.713 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.521 10.535 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.074 10.938 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.960 12.935 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.345 12.110 0.391 1.00 0.00 H new ATOM 0 HE ARG A 72 3.598 12.021 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.592 12.924 -2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.980 13.354 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.367 12.573 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.104 13.157 -3.174 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.701 8.246 0.085 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.010 7.899 -0.430 1.00 0.00 C ATOM 1157 C GLY A 73 -4.111 8.221 0.558 1.00 0.00 C ATOM 1158 O GLY A 73 -5.242 8.509 0.168 1.00 0.00 O ATOM 0 H GLY A 73 -1.082 7.453 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.188 8.438 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.036 6.836 -0.668 1.00 0.00 H new ATOM 1162 N THR A 74 -3.777 8.178 1.847 1.00 0.00 N ATOM 1163 CA THR A 74 -4.742 8.473 2.896 1.00 0.00 C ATOM 1164 C THR A 74 -4.963 9.978 3.014 1.00 0.00 C ATOM 1165 O THR A 74 -6.085 10.437 3.230 1.00 0.00 O ATOM 1166 CB THR A 74 -4.262 7.910 4.234 1.00 0.00 C ATOM 1167 OG1 THR A 74 -2.905 8.243 4.462 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.388 6.405 4.329 1.00 0.00 C ATOM 0 H THR A 74 -2.845 7.941 2.186 1.00 0.00 H new ATOM 0 HA THR A 74 -5.688 8.000 2.632 1.00 0.00 H new ATOM 0 HB THR A 74 -4.910 8.361 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.328 7.615 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.030 6.071 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.433 6.119 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.792 5.940 3.544 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.884 10.743 2.867 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.962 12.196 2.955 1.00 0.00 C ATOM 1178 C LEU A 75 -2.839 12.853 2.156 1.00 0.00 C ATOM 1179 O LEU A 75 -1.842 13.301 2.720 1.00 0.00 O ATOM 1180 CB LEU A 75 -3.892 12.644 4.416 1.00 0.00 C ATOM 1181 CG LEU A 75 -5.184 12.448 5.214 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -5.165 11.114 5.942 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -5.381 13.592 6.196 1.00 0.00 C ATOM 0 H LEU A 75 -2.948 10.380 2.687 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.916 12.509 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.090 12.096 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.621 13.699 4.444 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.022 12.445 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.091 10.993 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.071 10.305 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.319 11.086 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.304 13.437 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.539 13.627 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.441 14.534 5.650 1.00 0.00 H new ATOM 1195 N ARG A 76 -3.011 12.908 0.838 1.00 0.00 N ATOM 1196 CA ARG A 76 -2.013 13.514 -0.037 1.00 0.00 C ATOM 1197 C ARG A 76 -2.088 15.036 0.027 1.00 0.00 C ATOM 1198 O ARG A 76 -1.211 15.686 0.599 1.00 0.00 O ATOM 1199 CB ARG A 76 -2.210 13.041 -1.479 1.00 0.00 C ATOM 1200 CG ARG A 76 -1.135 13.537 -2.434 1.00 0.00 C ATOM 1201 CD ARG A 76 -1.715 13.873 -3.799 1.00 0.00 C ATOM 1202 NE ARG A 76 -2.398 12.729 -4.399 1.00 0.00 N ATOM 1203 CZ ARG A 76 -3.260 12.827 -5.407 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -3.549 14.012 -5.932 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -3.837 11.737 -5.893 1.00 0.00 N ATOM 0 H ARG A 76 -3.830 12.541 0.354 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.027 13.201 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.225 11.951 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.184 13.379 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.653 14.420 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.363 12.775 -2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.415 14.703 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.916 14.206 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.202 11.801 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.109 14.855 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.211 14.080 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.620 10.824 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.498 11.811 -6.666 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.142 15.599 -0.563 1.00 0.00 N ATOM 1220 CA TYR A 77 -3.343 17.047 -0.578 1.00 0.00 C ATOM 1221 C TYR A 77 -2.045 17.788 -0.894 1.00 0.00 C ATOM 1222 O TYR A 77 -1.828 18.906 -0.431 1.00 0.00 O ATOM 1223 CB TYR A 77 -3.904 17.522 0.765 1.00 0.00 C ATOM 1224 CG TYR A 77 -2.964 17.310 1.931 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -2.977 16.123 2.652 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -2.065 18.300 2.312 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -2.121 15.927 3.719 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -1.206 18.110 3.376 1.00 0.00 C ATOM 1229 CZ TYR A 77 -1.237 16.924 4.076 1.00 0.00 C ATOM 1230 OH TYR A 77 -0.382 16.732 5.139 1.00 0.00 O ATOM 0 H TYR A 77 -3.873 15.071 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.062 17.273 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.144 18.583 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.838 16.997 0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.667 15.340 2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.038 19.232 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.144 14.999 4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.512 18.888 3.658 1.00 0.00 H new ATOM 0 HH TYR A 77 0.176 17.529 5.258 1.00 0.00 H new ATOM 1240 N LYS A 78 -1.187 17.154 -1.688 1.00 0.00 N ATOM 1241 CA LYS A 78 0.088 17.751 -2.068 1.00 0.00 C ATOM 1242 C LYS A 78 -0.033 18.498 -3.392 1.00 0.00 C ATOM 1243 O LYS A 78 0.316 17.969 -4.448 1.00 0.00 O ATOM 1244 CB LYS A 78 1.169 16.673 -2.173 1.00 0.00 C ATOM 1245 CG LYS A 78 1.626 16.136 -0.824 1.00 0.00 C ATOM 1246 CD LYS A 78 3.120 16.325 -0.623 1.00 0.00 C ATOM 1247 CE LYS A 78 3.514 16.139 0.833 1.00 0.00 C ATOM 1248 NZ LYS A 78 4.992 16.133 1.013 1.00 0.00 N ATOM 0 H LYS A 78 -1.352 16.227 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 78 0.371 18.465 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.789 15.847 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.029 17.083 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.084 16.645 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.380 15.077 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.665 15.612 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.410 17.322 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.079 16.939 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.099 15.202 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.219 16.004 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.406 15.354 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.386 17.037 0.683 1.00 0.00 H new ATOM 1262 N VAL A 79 -0.532 19.728 -3.330 1.00 0.00 N ATOM 1263 CA VAL A 79 -0.698 20.546 -4.523 1.00 0.00 C ATOM 1264 C VAL A 79 0.155 21.807 -4.449 1.00 0.00 C ATOM 1265 O VAL A 79 0.734 22.237 -5.448 1.00 0.00 O ATOM 1266 CB VAL A 79 -2.172 20.948 -4.725 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -3.008 19.738 -5.111 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -2.721 21.608 -3.470 1.00 0.00 C ATOM 0 H VAL A 79 -0.828 20.180 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.373 19.941 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.225 21.670 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.046 20.042 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.627 19.314 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.951 18.990 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.763 21.885 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.656 20.911 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.139 22.501 -3.244 1.00 0.00 H new ATOM 1278 N ILE A 80 0.228 22.397 -3.260 1.00 0.00 N ATOM 1279 CA ILE A 80 1.012 23.609 -3.056 1.00 0.00 C ATOM 1280 C ILE A 80 2.506 23.321 -3.158 1.00 0.00 C ATOM 1281 O ILE A 80 3.228 23.991 -3.896 1.00 0.00 O ATOM 1282 CB ILE A 80 0.716 24.245 -1.685 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -0.793 24.363 -1.466 1.00 0.00 C ATOM 1284 CG2 ILE A 80 1.381 25.610 -1.578 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -1.375 23.234 -0.643 1.00 0.00 C ATOM 0 H ILE A 80 -0.246 22.055 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 80 0.725 24.307 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 80 1.127 23.601 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.007 25.310 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.292 24.390 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.162 26.046 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.459 25.499 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.998 26.264 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.449 23.383 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.192 22.285 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.904 23.220 0.340 1.00 0.00 H new ATOM 1297 N GLN A 81 2.963 22.321 -2.410 1.00 0.00 N ATOM 1298 CA GLN A 81 4.372 21.944 -2.416 1.00 0.00 C ATOM 1299 C GLN A 81 5.244 23.092 -1.917 1.00 0.00 C ATOM 1300 O GLN A 81 4.896 24.262 -2.072 1.00 0.00 O ATOM 1301 CB GLN A 81 4.807 21.533 -3.825 1.00 0.00 C ATOM 1302 CG GLN A 81 6.090 20.717 -3.850 1.00 0.00 C ATOM 1303 CD GLN A 81 7.162 21.342 -4.721 1.00 0.00 C ATOM 1304 OE1 GLN A 81 7.669 22.494 -4.299 1.00 0.00 O flip ATOM 1305 NE2 GLN A 81 7.531 20.797 -5.760 1.00 0.00 N flip ATOM 0 H GLN A 81 2.378 21.758 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 81 4.498 21.096 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.008 20.954 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.944 22.429 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.469 20.612 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.871 19.713 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.114 19.911 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.254 21.231 -6.334 1.00 0.00 H new ATOM 1314 N GLN A 82 6.379 22.748 -1.317 1.00 0.00 N ATOM 1315 CA GLN A 82 7.301 23.750 -0.794 1.00 0.00 C ATOM 1316 C GLN A 82 8.742 23.258 -0.875 1.00 0.00 C ATOM 1317 O GLN A 82 9.628 23.977 -1.335 1.00 0.00 O ATOM 1318 CB GLN A 82 6.947 24.092 0.654 1.00 0.00 C ATOM 1319 CG GLN A 82 6.816 22.873 1.553 1.00 0.00 C ATOM 1320 CD GLN A 82 5.845 23.093 2.696 1.00 0.00 C ATOM 1321 OE1 GLN A 82 4.703 22.635 2.654 1.00 0.00 O ATOM 1322 NE2 GLN A 82 6.295 23.799 3.727 1.00 0.00 N ATOM 0 H GLN A 82 6.682 21.784 -1.181 1.00 0.00 H new ATOM 0 HA GLN A 82 7.208 24.648 -1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.713 24.752 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.009 24.646 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.485 22.022 0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.795 22.617 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.249 24.160 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.687 23.980 4.525 1.00 0.00 H new ATOM 1331 N GLN A 83 8.969 22.027 -0.425 1.00 0.00 N ATOM 1332 CA GLN A 83 10.302 21.440 -0.447 1.00 0.00 C ATOM 1333 C GLN A 83 10.347 20.226 -1.369 1.00 0.00 C ATOM 1334 O GLN A 83 9.357 19.508 -1.514 1.00 0.00 O ATOM 1335 CB GLN A 83 10.728 21.036 0.967 1.00 0.00 C ATOM 1336 CG GLN A 83 9.820 19.996 1.601 1.00 0.00 C ATOM 1337 CD GLN A 83 10.392 18.594 1.518 1.00 0.00 C ATOM 1338 OE1 GLN A 83 9.985 17.794 0.677 1.00 0.00 O ATOM 1339 NE2 GLN A 83 11.342 18.290 2.394 1.00 0.00 N ATOM 0 H GLN A 83 8.246 21.418 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 83 10.995 22.190 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.745 20.646 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.747 21.924 1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.652 20.255 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.848 20.018 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.649 18.985 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.765 17.362 2.386 1.00 0.00 H new ATOM 1348 N GLY A 84 11.500 20.003 -1.991 1.00 0.00 N ATOM 1349 CA GLY A 84 11.652 18.874 -2.892 1.00 0.00 C ATOM 1350 C GLY A 84 12.798 17.966 -2.496 1.00 0.00 C ATOM 1351 O GLY A 84 12.707 17.233 -1.510 1.00 0.00 O ATOM 0 H GLY A 84 12.332 20.584 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.726 18.299 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.817 19.241 -3.905 1.00 0.00 H new ATOM 1355 N TYR A 85 13.882 18.013 -3.264 1.00 0.00 N ATOM 1356 CA TYR A 85 15.051 17.187 -2.988 1.00 0.00 C ATOM 1357 C TYR A 85 16.079 17.955 -2.164 1.00 0.00 C ATOM 1358 O TYR A 85 16.051 19.185 -2.110 1.00 0.00 O ATOM 1359 CB TYR A 85 15.684 16.709 -4.296 1.00 0.00 C ATOM 1360 CG TYR A 85 14.998 15.504 -4.899 1.00 0.00 C ATOM 1361 CD1 TYR A 85 14.996 14.281 -4.240 1.00 0.00 C ATOM 1362 CD2 TYR A 85 14.350 15.590 -6.125 1.00 0.00 C ATOM 1363 CE1 TYR A 85 14.368 13.177 -4.787 1.00 0.00 C ATOM 1364 CE2 TYR A 85 13.722 14.492 -6.678 1.00 0.00 C ATOM 1365 CZ TYR A 85 13.734 13.288 -6.005 1.00 0.00 C ATOM 1366 OH TYR A 85 13.107 12.192 -6.553 1.00 0.00 O ATOM 0 H TYR A 85 13.975 18.615 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 85 14.724 16.321 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 85 15.665 17.526 -5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 85 16.731 16.467 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.493 14.191 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.337 16.531 -6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.375 12.233 -4.262 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.224 14.575 -7.633 1.00 0.00 H new ATOM 0 HH TYR A 85 12.708 12.439 -7.413 1.00 0.00 H new ATOM 1376 N ARG A 86 16.984 17.223 -1.523 1.00 0.00 N ATOM 1377 CA ARG A 86 18.020 17.836 -0.701 1.00 0.00 C ATOM 1378 C ARG A 86 19.395 17.269 -1.045 1.00 0.00 C ATOM 1379 O ARG A 86 20.273 17.178 -0.187 1.00 0.00 O ATOM 1380 CB ARG A 86 17.722 17.616 0.783 1.00 0.00 C ATOM 1381 CG ARG A 86 18.032 18.824 1.651 1.00 0.00 C ATOM 1382 CD ARG A 86 16.782 19.364 2.329 1.00 0.00 C ATOM 1383 NE ARG A 86 15.665 19.492 1.395 1.00 0.00 N ATOM 1384 CZ ARG A 86 15.551 20.477 0.506 1.00 0.00 C ATOM 1385 NH1 ARG A 86 16.481 21.421 0.427 1.00 0.00 N ATOM 1386 NH2 ARG A 86 14.503 20.519 -0.305 1.00 0.00 N ATOM 0 H ARG A 86 17.021 16.204 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 86 18.026 18.906 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.670 17.356 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 86 18.302 16.765 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.767 18.550 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.481 19.606 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.497 18.701 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 86 17.000 20.337 2.769 1.00 0.00 H new ATOM 0 HE ARG A 86 14.930 18.786 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.289 21.395 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.388 22.173 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.785 19.797 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.415 21.273 -0.986 1.00 0.00 H new ATOM 1400 N GLY A 87 19.573 16.888 -2.306 1.00 0.00 N ATOM 1401 CA GLY A 87 20.840 16.334 -2.742 1.00 0.00 C ATOM 1402 C GLY A 87 21.155 16.672 -4.185 1.00 0.00 C ATOM 1403 O GLY A 87 20.553 17.576 -4.764 1.00 0.00 O ATOM 0 H GLY A 87 18.861 16.953 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.637 16.711 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.820 15.251 -2.622 1.00 0.00 H new ATOM 1407 N LYS A 88 22.104 15.944 -4.768 1.00 0.00 N ATOM 1408 CA LYS A 88 22.498 16.172 -6.153 1.00 0.00 C ATOM 1409 C LYS A 88 23.540 15.150 -6.596 1.00 0.00 C ATOM 1410 O LYS A 88 23.486 14.637 -7.714 1.00 0.00 O ATOM 1411 CB LYS A 88 23.052 17.587 -6.321 1.00 0.00 C ATOM 1412 CG LYS A 88 22.625 18.259 -7.617 1.00 0.00 C ATOM 1413 CD LYS A 88 23.723 18.198 -8.668 1.00 0.00 C ATOM 1414 CE LYS A 88 23.907 19.539 -9.360 1.00 0.00 C ATOM 1415 NZ LYS A 88 24.162 19.381 -10.819 1.00 0.00 N ATOM 0 H LYS A 88 22.613 15.193 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 88 21.614 16.059 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 88 22.725 18.198 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 88 24.141 17.549 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 88 21.727 17.774 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 88 22.367 19.299 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.660 17.898 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 88 23.478 17.436 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 88 23.016 20.149 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 88 24.740 20.073 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 24.282 20.318 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 25.026 18.820 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.356 18.894 -11.262 1.00 0.00 H new ATOM 1429 N ASN A 89 24.489 14.856 -5.711 1.00 0.00 N ATOM 1430 CA ASN A 89 25.543 13.896 -6.010 1.00 0.00 C ATOM 1431 C ASN A 89 26.109 13.294 -4.729 1.00 0.00 C ATOM 1432 O ASN A 89 26.667 14.003 -3.891 1.00 0.00 O ATOM 1433 CB ASN A 89 26.661 14.567 -6.810 1.00 0.00 C ATOM 1434 CG ASN A 89 27.512 13.567 -7.568 1.00 0.00 C ATOM 1435 OD1 ASN A 89 28.331 12.860 -6.981 1.00 0.00 O ATOM 1436 ND2 ASN A 89 27.321 13.502 -8.880 1.00 0.00 N ATOM 0 H ASN A 89 24.548 15.270 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 89 25.111 13.093 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 89 26.225 15.276 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 89 27.295 15.139 -6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 89 27.864 12.847 -9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 89 26.631 14.107 -9.326 1.00 0.00 H new ATOM 1443 N SER A 90 25.963 11.981 -4.582 1.00 0.00 N ATOM 1444 CA SER A 90 26.461 11.283 -3.402 1.00 0.00 C ATOM 1445 C SER A 90 26.893 9.863 -3.751 1.00 0.00 C ATOM 1446 O SER A 90 28.079 9.537 -3.709 1.00 0.00 O ATOM 1447 CB SER A 90 25.385 11.249 -2.314 1.00 0.00 C ATOM 1448 OG SER A 90 24.450 12.300 -2.486 1.00 0.00 O ATOM 0 H SER A 90 25.504 11.379 -5.265 1.00 0.00 H new ATOM 0 HA SER A 90 27.330 11.825 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 90 24.867 10.290 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 90 25.853 11.332 -1.333 1.00 0.00 H new ATOM 0 HG SER A 90 23.773 12.254 -1.779 1.00 0.00 H new ATOM 1454 N VAL A 91 25.924 9.021 -4.093 1.00 0.00 N ATOM 1455 CA VAL A 91 26.204 7.636 -4.449 1.00 0.00 C ATOM 1456 C VAL A 91 25.240 7.138 -5.520 1.00 0.00 C ATOM 1457 O VAL A 91 24.134 7.660 -5.666 1.00 0.00 O ATOM 1458 CB VAL A 91 26.112 6.710 -3.222 1.00 0.00 C ATOM 1459 CG1 VAL A 91 27.305 6.921 -2.303 1.00 0.00 C ATOM 1460 CG2 VAL A 91 24.806 6.941 -2.475 1.00 0.00 C ATOM 0 H VAL A 91 24.937 9.274 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 91 27.222 7.610 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 91 26.128 5.676 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 91 27.222 6.258 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 91 28.225 6.700 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 91 27.324 7.957 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 91 24.759 6.278 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 91 24.757 7.977 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 91 23.966 6.734 -3.138 1.00 0.00 H new ATOM 1470 N ALA A 92 25.666 6.124 -6.266 1.00 0.00 N ATOM 1471 CA ALA A 92 24.840 5.553 -7.324 1.00 0.00 C ATOM 1472 C ALA A 92 24.556 4.079 -7.063 1.00 0.00 C ATOM 1473 O ALA A 92 25.200 3.452 -6.223 1.00 0.00 O ATOM 1474 CB ALA A 92 25.517 5.732 -8.675 1.00 0.00 C ATOM 0 H ALA A 92 26.578 5.681 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 92 23.887 6.082 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 92 24.890 5.302 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 92 25.663 6.794 -8.871 1.00 0.00 H new ATOM 0 HB3 ALA A 92 26.484 5.229 -8.667 1.00 0.00 H new ATOM 1480 N ALA A 93 23.588 3.530 -7.790 1.00 0.00 N ATOM 1481 CA ALA A 93 23.220 2.127 -7.637 1.00 0.00 C ATOM 1482 C ALA A 93 23.537 1.335 -8.900 1.00 0.00 C ATOM 1483 O ALA A 93 22.854 0.362 -9.222 1.00 0.00 O ATOM 1484 CB ALA A 93 21.742 2.006 -7.292 1.00 0.00 C ATOM 0 H ALA A 93 23.045 4.035 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 93 23.809 1.708 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.479 0.954 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.542 2.531 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.145 2.446 -8.090 1.00 0.00 H new ATOM 1490 N ARG A 94 24.577 1.757 -9.610 1.00 0.00 N ATOM 1491 CA ARG A 94 24.986 1.084 -10.839 1.00 0.00 C ATOM 1492 C ARG A 94 25.387 -0.361 -10.559 1.00 0.00 C ATOM 1493 O ARG A 94 24.747 -1.297 -11.036 1.00 0.00 O ATOM 1494 CB ARG A 94 26.149 1.832 -11.494 1.00 0.00 C ATOM 1495 CG ARG A 94 26.258 1.596 -12.991 1.00 0.00 C ATOM 1496 CD ARG A 94 25.125 2.272 -13.747 1.00 0.00 C ATOM 1497 NE ARG A 94 25.388 3.692 -13.976 1.00 0.00 N ATOM 1498 CZ ARG A 94 26.179 4.152 -14.941 1.00 0.00 C ATOM 1499 NH1 ARG A 94 26.787 3.311 -15.769 1.00 0.00 N ATOM 1500 NH2 ARG A 94 26.364 5.458 -15.080 1.00 0.00 N ATOM 0 H ARG A 94 25.152 2.561 -9.357 1.00 0.00 H new ATOM 0 HA ARG A 94 24.137 1.081 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 94 26.032 2.900 -11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 94 27.081 1.527 -11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 94 27.214 1.975 -13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 94 26.243 0.525 -13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 94 24.979 1.772 -14.704 1.00 0.00 H new ATOM 0 HD3 ARG A 94 24.198 2.161 -13.185 1.00 0.00 H new ATOM 0 HE ARG A 94 24.939 4.369 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 94 26.649 2.306 -15.667 1.00 0.00 H new ATOM 0 HH12 ARG A 94 27.392 3.670 -16.507 1.00 0.00 H new ATOM 0 HH21 ARG A 94 25.900 6.109 -14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.971 5.811 -15.820 1.00 0.00 H new ATOM 1514 N SER A 95 26.452 -0.534 -9.782 1.00 0.00 N ATOM 1515 CA SER A 95 26.938 -1.865 -9.439 1.00 0.00 C ATOM 1516 C SER A 95 26.261 -2.382 -8.170 1.00 0.00 C ATOM 1517 O SER A 95 25.701 -3.479 -8.161 1.00 0.00 O ATOM 1518 CB SER A 95 28.457 -1.845 -9.253 1.00 0.00 C ATOM 1519 OG SER A 95 29.112 -2.469 -10.344 1.00 0.00 O ATOM 0 H SER A 95 26.994 0.230 -9.379 1.00 0.00 H new ATOM 0 HA SER A 95 26.690 -2.538 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 95 28.802 -0.815 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 95 28.720 -2.355 -8.326 1.00 0.00 H new ATOM 0 HG SER A 95 30.081 -2.442 -10.202 1.00 0.00 H new ATOM 1525 N PRO A 96 26.301 -1.599 -7.078 1.00 0.00 N ATOM 1526 CA PRO A 96 25.685 -1.989 -5.805 1.00 0.00 C ATOM 1527 C PRO A 96 24.211 -2.345 -5.959 1.00 0.00 C ATOM 1528 O PRO A 96 23.534 -1.852 -6.862 1.00 0.00 O ATOM 1529 CB PRO A 96 25.842 -0.742 -4.929 1.00 0.00 C ATOM 1530 CG PRO A 96 26.992 -0.003 -5.520 1.00 0.00 C ATOM 1531 CD PRO A 96 26.945 -0.274 -6.996 1.00 0.00 C ATOM 0 HA PRO A 96 26.153 -2.880 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 96 24.936 -0.136 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 96 26.036 -1.010 -3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 96 26.915 1.065 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 96 27.935 -0.342 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 96 26.371 0.486 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 96 27.943 -0.284 -7.435 1.00 0.00 H new ATOM 1539 N GLU A 97 23.719 -3.207 -5.074 1.00 0.00 N ATOM 1540 CA GLU A 97 22.322 -3.629 -5.114 1.00 0.00 C ATOM 1541 C GLU A 97 22.005 -4.564 -3.951 1.00 0.00 C ATOM 1542 O GLU A 97 22.370 -5.738 -3.968 1.00 0.00 O ATOM 1543 CB GLU A 97 22.014 -4.321 -6.444 1.00 0.00 C ATOM 1544 CG GLU A 97 21.099 -3.514 -7.351 1.00 0.00 C ATOM 1545 CD GLU A 97 21.080 -4.036 -8.774 1.00 0.00 C ATOM 1546 OE1 GLU A 97 22.075 -4.672 -9.187 1.00 0.00 O ATOM 1547 OE2 GLU A 97 20.073 -3.812 -9.476 1.00 0.00 O ATOM 0 H GLU A 97 24.265 -3.626 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 97 21.695 -2.742 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 97 22.950 -4.517 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.552 -5.288 -6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.086 -3.532 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 97 21.423 -2.473 -7.354 1.00 0.00 H new ATOM 1554 N LYS A 98 21.322 -4.032 -2.940 1.00 0.00 N ATOM 1555 CA LYS A 98 20.954 -4.818 -1.769 1.00 0.00 C ATOM 1556 C LYS A 98 19.452 -4.742 -1.513 1.00 0.00 C ATOM 1557 O LYS A 98 18.759 -3.894 -2.076 1.00 0.00 O ATOM 1558 CB LYS A 98 21.723 -4.328 -0.539 1.00 0.00 C ATOM 1559 CG LYS A 98 22.383 -5.449 0.251 1.00 0.00 C ATOM 1560 CD LYS A 98 23.900 -5.353 0.198 1.00 0.00 C ATOM 1561 CE LYS A 98 24.442 -5.807 -1.147 1.00 0.00 C ATOM 1562 NZ LYS A 98 24.985 -7.193 -1.089 1.00 0.00 N ATOM 0 H LYS A 98 21.013 -3.060 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 98 21.217 -5.858 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 98 22.488 -3.619 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 98 21.039 -3.787 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 98 22.051 -5.408 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 98 22.065 -6.412 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 98 24.207 -4.324 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 98 24.332 -5.964 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 98 23.649 -5.759 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 98 25.226 -5.123 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 25.345 -7.464 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 25.759 -7.234 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 24.231 -7.850 -0.804 1.00 0.00 H new ATOM 1576 N ALA A 99 18.957 -5.631 -0.657 1.00 0.00 N ATOM 1577 CA ALA A 99 17.537 -5.663 -0.327 1.00 0.00 C ATOM 1578 C ALA A 99 17.322 -5.578 1.181 1.00 0.00 C ATOM 1579 O ALA A 99 16.366 -6.138 1.714 1.00 0.00 O ATOM 1580 CB ALA A 99 16.895 -6.925 -0.882 1.00 0.00 C ATOM 0 H ALA A 99 19.517 -6.337 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 99 17.063 -4.795 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 99 15.835 -6.936 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 99 17.009 -6.945 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 99 17.380 -7.800 -0.450 1.00 0.00 H new ATOM 1586 N SER A 100 18.220 -4.872 1.861 1.00 0.00 N ATOM 1587 CA SER A 100 18.131 -4.712 3.308 1.00 0.00 C ATOM 1588 C SER A 100 18.150 -3.237 3.695 1.00 0.00 C ATOM 1589 O SER A 100 17.364 -2.794 4.531 1.00 0.00 O ATOM 1590 CB SER A 100 19.282 -5.449 3.995 1.00 0.00 C ATOM 1591 OG SER A 100 19.222 -5.288 5.404 1.00 0.00 O ATOM 0 H SER A 100 19.018 -4.402 1.433 1.00 0.00 H new ATOM 0 HA SER A 100 17.186 -5.142 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.240 -6.509 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.234 -5.071 3.623 1.00 0.00 H new ATOM 0 HG SER A 100 19.967 -5.769 5.820 1.00 0.00 H new ATOM 1597 N ASN A 101 19.056 -2.482 3.080 1.00 0.00 N ATOM 1598 CA ASN A 101 19.178 -1.057 3.361 1.00 0.00 C ATOM 1599 C ASN A 101 19.928 -0.345 2.238 1.00 0.00 C ATOM 1600 O ASN A 101 20.568 -0.984 1.403 1.00 0.00 O ATOM 1601 CB ASN A 101 19.897 -0.837 4.694 1.00 0.00 C ATOM 1602 CG ASN A 101 18.939 -0.487 5.816 1.00 0.00 C ATOM 1603 OD1 ASN A 101 18.908 -1.153 6.851 1.00 0.00 O ATOM 1604 ND2 ASN A 101 18.150 0.561 5.614 1.00 0.00 N ATOM 0 H ASN A 101 19.715 -2.834 2.385 1.00 0.00 H new ATOM 0 HA ASN A 101 18.174 -0.637 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 101 20.449 -1.739 4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 101 20.629 -0.037 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 101 17.483 0.844 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 101 18.210 1.084 4.740 1.00 0.00 H new ATOM 1611 N MET A 102 19.844 0.981 2.226 1.00 0.00 N ATOM 1612 CA MET A 102 20.515 1.780 1.207 1.00 0.00 C ATOM 1613 C MET A 102 22.029 1.727 1.382 1.00 0.00 C ATOM 1614 O MET A 102 22.530 1.561 2.496 1.00 0.00 O ATOM 1615 CB MET A 102 20.034 3.230 1.267 1.00 0.00 C ATOM 1616 CG MET A 102 20.564 4.095 0.136 1.00 0.00 C ATOM 1617 SD MET A 102 19.367 5.322 -0.421 1.00 0.00 S ATOM 1618 CE MET A 102 20.400 6.362 -1.450 1.00 0.00 C ATOM 0 H MET A 102 19.318 1.525 2.910 1.00 0.00 H new ATOM 0 HA MET A 102 20.266 1.362 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 102 18.944 3.244 1.243 1.00 0.00 H new ATOM 0 HB3 MET A 102 20.338 3.665 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 102 21.471 4.602 0.466 1.00 0.00 H new ATOM 0 HG3 MET A 102 20.842 3.458 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 102 19.800 7.170 -1.868 1.00 0.00 H new ATOM 0 HE2 MET A 102 21.207 6.782 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 102 20.823 5.767 -2.260 1.00 0.00 H new ATOM 1628 N GLU A 103 22.754 1.869 0.277 1.00 0.00 N ATOM 1629 CA GLU A 103 24.210 1.838 0.308 1.00 0.00 C ATOM 1630 C GLU A 103 24.783 3.249 0.382 1.00 0.00 C ATOM 1631 O GLU A 103 24.356 4.142 -0.351 1.00 0.00 O ATOM 1632 CB GLU A 103 24.753 1.119 -0.928 1.00 0.00 C ATOM 1633 CG GLU A 103 26.041 0.352 -0.669 1.00 0.00 C ATOM 1634 CD GLU A 103 25.814 -0.916 0.128 1.00 0.00 C ATOM 1635 OE1 GLU A 103 25.240 -0.828 1.234 1.00 0.00 O ATOM 1636 OE2 GLU A 103 26.210 -1.999 -0.352 1.00 0.00 O ATOM 0 H GLU A 103 22.355 2.007 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 103 24.517 1.293 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 103 23.996 0.427 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 103 24.928 1.851 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 103 26.507 0.099 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 26.740 0.994 -0.133 1.00 0.00 H new ATOM 1643 N ASN A 104 25.753 3.444 1.271 1.00 0.00 N ATOM 1644 CA ASN A 104 26.384 4.749 1.439 1.00 0.00 C ATOM 1645 C ASN A 104 27.852 4.597 1.827 1.00 0.00 C ATOM 1646 O ASN A 104 28.722 5.260 1.265 1.00 0.00 O ATOM 1647 CB ASN A 104 25.646 5.563 2.503 1.00 0.00 C ATOM 1648 CG ASN A 104 25.406 4.770 3.774 1.00 0.00 C ATOM 1649 OD1 ASN A 104 24.440 4.013 3.874 1.00 0.00 O ATOM 1650 ND2 ASN A 104 26.286 4.942 4.752 1.00 0.00 N ATOM 0 H ASN A 104 26.118 2.716 1.885 1.00 0.00 H new ATOM 0 HA ASN A 104 26.330 5.276 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 104 26.224 6.456 2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 104 24.690 5.899 2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 104 26.177 4.436 5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 104 27.072 5.580 4.625 1.00 0.00 H new ATOM 1657 N ASN A 105 28.117 3.720 2.791 1.00 0.00 N ATOM 1658 CA ASN A 105 29.479 3.481 3.252 1.00 0.00 C ATOM 1659 C ASN A 105 30.073 4.740 3.876 1.00 0.00 C ATOM 1660 O ASN A 105 29.492 5.823 3.785 1.00 0.00 O ATOM 1661 CB ASN A 105 30.361 3.007 2.095 1.00 0.00 C ATOM 1662 CG ASN A 105 29.717 1.891 1.297 1.00 0.00 C ATOM 1663 OD1 ASN A 105 29.035 2.137 0.301 1.00 0.00 O ATOM 1664 ND2 ASN A 105 29.929 0.654 1.733 1.00 0.00 N ATOM 0 H ASN A 105 27.407 3.164 3.267 1.00 0.00 H new ATOM 0 HA ASN A 105 29.443 2.702 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 105 30.571 3.848 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 105 31.318 2.663 2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 105 29.520 -0.138 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 105 30.501 0.497 2.563 1.00 0.00 H new ATOM 1671 N GLU A 106 31.230 4.592 4.510 1.00 0.00 N ATOM 1672 CA GLU A 106 31.903 5.717 5.149 1.00 0.00 C ATOM 1673 C GLU A 106 33.256 5.984 4.497 1.00 0.00 C ATOM 1674 O GLU A 106 33.567 5.318 3.487 1.00 0.00 O ATOM 1675 CB GLU A 106 32.090 5.445 6.643 1.00 0.00 C ATOM 1676 CG GLU A 106 32.842 4.158 6.938 1.00 0.00 C ATOM 1677 CD GLU A 106 31.990 3.136 7.666 1.00 0.00 C ATOM 1678 OE1 GLU A 106 30.995 2.664 7.076 1.00 0.00 O ATOM 1679 OE2 GLU A 106 32.318 2.808 8.826 1.00 0.00 O ATOM 1680 OXT GLU A 106 33.992 6.859 5.000 1.00 0.00 O ATOM 0 H GLU A 106 31.723 3.703 4.596 1.00 0.00 H new ATOM 0 HA GLU A 106 31.278 6.601 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 106 32.627 6.281 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 106 31.111 5.402 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 106 33.198 3.727 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 106 33.722 4.386 7.539 1.00 0.00 H new TER 1687 GLU A 106