USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 108 HIS : no HE2:sc= 1.2 K(o=2.2,f=-7.3!) USER MOD Set 1.2: A 112 SER OG : rot 170:sc= 0.99 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0344) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0506 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.159 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 72:sc= 0.00762 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0648 USER MOD Single : A 41 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.81 K(o=-3.8,f=-6.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 21:sc= 0.431 USER MOD Single : A 52 SER OG : rot 63:sc= 1.06 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 8:sc= 0.391 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 120:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.33) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 154:sc= -0.966 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 145:sc= -1.52 (180deg=-4.17!) USER MOD Single : A 92 TYR OH : rot -72:sc= 0.00582 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -8:sc= 0.486 USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= -0.351 (180deg=-1.15) USER MOD Single : A 97 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 147:sc= -0.17 (180deg=-1.35) USER MOD Single : A 105 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.5) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -138:sc= -0.355 (180deg=-1.31!) USER MOD Single : A 114 TYR OH : rot 0:sc= -0.559 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.754 12.670 18.963 1.00 0.00 N ATOM 2 CA GLY A 1 31.634 13.800 18.061 1.00 0.00 C ATOM 3 C GLY A 1 30.236 13.943 17.495 1.00 0.00 C ATOM 4 O GLY A 1 29.711 15.052 17.392 1.00 0.00 O ATOM 0 H1 GLY A 1 32.709 12.655 19.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.050 12.756 19.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.590 11.788 18.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.904 14.714 18.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.344 13.685 17.242 1.00 0.00 H new ATOM 8 N SER A 2 29.630 12.820 17.124 1.00 0.00 N ATOM 9 CA SER A 2 28.286 12.826 16.560 1.00 0.00 C ATOM 10 C SER A 2 28.060 14.071 15.708 1.00 0.00 C ATOM 11 O SER A 2 27.002 14.697 15.771 1.00 0.00 O ATOM 12 CB SER A 2 27.241 12.762 17.676 1.00 0.00 C ATOM 13 OG SER A 2 27.413 13.825 18.597 1.00 0.00 O ATOM 0 H SER A 2 30.049 11.894 17.204 1.00 0.00 H new ATOM 0 HA SER A 2 28.182 11.947 15.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.241 12.808 17.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.319 11.808 18.198 1.00 0.00 H new ATOM 0 HG SER A 2 26.732 13.763 19.299 1.00 0.00 H new ATOM 19 N SER A 3 29.063 14.424 14.910 1.00 0.00 N ATOM 20 CA SER A 3 28.977 15.596 14.047 1.00 0.00 C ATOM 21 C SER A 3 28.107 15.309 12.827 1.00 0.00 C ATOM 22 O SER A 3 27.868 14.154 12.478 1.00 0.00 O ATOM 23 CB SER A 3 30.374 16.030 13.600 1.00 0.00 C ATOM 24 OG SER A 3 31.154 16.452 14.705 1.00 0.00 O ATOM 0 H SER A 3 29.944 13.915 14.843 1.00 0.00 H new ATOM 0 HA SER A 3 28.518 16.404 14.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.871 15.202 13.095 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.292 16.842 12.877 1.00 0.00 H new ATOM 0 HG SER A 3 32.043 16.723 14.394 1.00 0.00 H new ATOM 30 N GLY A 4 27.636 16.372 12.181 1.00 0.00 N ATOM 31 CA GLY A 4 26.797 16.215 11.007 1.00 0.00 C ATOM 32 C GLY A 4 26.662 17.500 10.214 1.00 0.00 C ATOM 33 O GLY A 4 27.169 18.545 10.623 1.00 0.00 O ATOM 0 H GLY A 4 27.821 17.339 12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.216 15.439 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.808 15.876 11.314 1.00 0.00 H new ATOM 37 N SER A 5 25.979 17.423 9.077 1.00 0.00 N ATOM 38 CA SER A 5 25.783 18.588 8.222 1.00 0.00 C ATOM 39 C SER A 5 24.430 18.526 7.521 1.00 0.00 C ATOM 40 O SER A 5 24.079 17.515 6.914 1.00 0.00 O ATOM 41 CB SER A 5 26.904 18.680 7.185 1.00 0.00 C ATOM 42 OG SER A 5 27.140 20.025 6.807 1.00 0.00 O ATOM 0 H SER A 5 25.552 16.566 8.726 1.00 0.00 H new ATOM 0 HA SER A 5 25.806 19.478 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.818 18.248 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.639 18.093 6.306 1.00 0.00 H new ATOM 0 HG SER A 5 27.862 20.057 6.145 1.00 0.00 H new ATOM 48 N SER A 6 23.674 19.616 7.610 1.00 0.00 N ATOM 49 CA SER A 6 22.357 19.686 6.988 1.00 0.00 C ATOM 50 C SER A 6 21.882 21.132 6.883 1.00 0.00 C ATOM 51 O SER A 6 22.510 22.044 7.418 1.00 0.00 O ATOM 52 CB SER A 6 21.347 18.863 7.789 1.00 0.00 C ATOM 53 OG SER A 6 21.321 19.267 9.147 1.00 0.00 O ATOM 0 H SER A 6 23.951 20.463 8.107 1.00 0.00 H new ATOM 0 HA SER A 6 22.435 19.273 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.354 18.977 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.604 17.806 7.726 1.00 0.00 H new ATOM 0 HG SER A 6 20.666 18.727 9.637 1.00 0.00 H new ATOM 59 N GLY A 7 20.767 21.333 6.187 1.00 0.00 N ATOM 60 CA GLY A 7 20.225 22.670 6.023 1.00 0.00 C ATOM 61 C GLY A 7 18.865 22.666 5.355 1.00 0.00 C ATOM 62 O GLY A 7 18.760 22.859 4.145 1.00 0.00 O ATOM 0 H GLY A 7 20.229 20.594 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.146 23.149 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.916 23.269 5.430 1.00 0.00 H new ATOM 66 N GLU A 8 17.819 22.444 6.146 1.00 0.00 N ATOM 67 CA GLU A 8 16.459 22.413 5.623 1.00 0.00 C ATOM 68 C GLU A 8 15.721 23.709 5.949 1.00 0.00 C ATOM 69 O GLU A 8 15.605 24.095 7.113 1.00 0.00 O ATOM 70 CB GLU A 8 15.694 21.219 6.198 1.00 0.00 C ATOM 71 CG GLU A 8 15.478 21.301 7.699 1.00 0.00 C ATOM 72 CD GLU A 8 14.923 20.014 8.280 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.727 19.731 8.059 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.685 19.291 8.954 1.00 0.00 O ATOM 0 H GLU A 8 17.888 22.283 7.151 1.00 0.00 H new ATOM 0 HA GLU A 8 16.516 22.310 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.725 21.146 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.239 20.304 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.424 21.537 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.793 22.120 7.920 1.00 0.00 H new ATOM 81 N THR A 9 15.224 24.377 4.913 1.00 0.00 N ATOM 82 CA THR A 9 14.499 25.629 5.088 1.00 0.00 C ATOM 83 C THR A 9 13.198 25.627 4.294 1.00 0.00 C ATOM 84 O THR A 9 13.191 25.348 3.096 1.00 0.00 O ATOM 85 CB THR A 9 15.351 26.837 4.654 1.00 0.00 C ATOM 86 OG1 THR A 9 14.605 28.048 4.819 1.00 0.00 O ATOM 87 CG2 THR A 9 15.786 26.698 3.203 1.00 0.00 C ATOM 0 H THR A 9 15.310 24.072 3.944 1.00 0.00 H new ATOM 0 HA THR A 9 14.272 25.717 6.151 1.00 0.00 H new ATOM 0 HB THR A 9 16.241 26.871 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.154 28.811 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.386 27.562 2.919 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.378 25.791 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.905 26.641 2.563 1.00 0.00 H new ATOM 95 N GLY A 10 12.097 25.941 4.969 1.00 0.00 N ATOM 96 CA GLY A 10 10.804 25.970 4.310 1.00 0.00 C ATOM 97 C GLY A 10 10.803 26.851 3.076 1.00 0.00 C ATOM 98 O GLY A 10 11.247 27.997 3.122 1.00 0.00 O ATOM 0 H GLY A 10 12.077 26.176 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.520 24.956 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.050 26.330 5.010 1.00 0.00 H new ATOM 102 N GLY A 11 10.303 26.313 1.967 1.00 0.00 N ATOM 103 CA GLY A 11 10.257 27.071 0.731 1.00 0.00 C ATOM 104 C GLY A 11 9.367 26.426 -0.313 1.00 0.00 C ATOM 105 O GLY A 11 8.483 27.075 -0.870 1.00 0.00 O ATOM 0 H GLY A 11 9.929 25.366 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.896 28.078 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.266 27.171 0.332 1.00 0.00 H new ATOM 109 N GLU A 12 9.601 25.144 -0.577 1.00 0.00 N ATOM 110 CA GLU A 12 8.814 24.412 -1.563 1.00 0.00 C ATOM 111 C GLU A 12 7.417 24.109 -1.027 1.00 0.00 C ATOM 112 O GLU A 12 7.101 24.417 0.122 1.00 0.00 O ATOM 113 CB GLU A 12 9.519 23.109 -1.945 1.00 0.00 C ATOM 114 CG GLU A 12 9.644 22.125 -0.795 1.00 0.00 C ATOM 115 CD GLU A 12 10.703 21.068 -1.044 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.889 21.438 -1.176 1.00 0.00 O ATOM 117 OE2 GLU A 12 10.347 19.873 -1.108 1.00 0.00 O ATOM 0 H GLU A 12 10.328 24.592 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 12 8.717 25.038 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.972 22.635 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.515 23.342 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.886 22.668 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.682 21.639 -0.631 1.00 0.00 H new ATOM 124 N ARG A 13 6.585 23.505 -1.869 1.00 0.00 N ATOM 125 CA ARG A 13 5.222 23.162 -1.483 1.00 0.00 C ATOM 126 C ARG A 13 5.219 22.195 -0.303 1.00 0.00 C ATOM 127 O ARG A 13 6.269 21.706 0.113 1.00 0.00 O ATOM 128 CB ARG A 13 4.474 22.544 -2.665 1.00 0.00 C ATOM 129 CG ARG A 13 3.749 23.564 -3.528 1.00 0.00 C ATOM 130 CD ARG A 13 4.697 24.241 -4.505 1.00 0.00 C ATOM 131 NE ARG A 13 5.669 25.093 -3.823 1.00 0.00 N ATOM 132 CZ ARG A 13 6.581 25.820 -4.458 1.00 0.00 C ATOM 133 NH1 ARG A 13 6.646 25.801 -5.782 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.431 26.570 -3.768 1.00 0.00 N ATOM 0 H ARG A 13 6.831 23.243 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 13 4.715 24.078 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.182 21.994 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.751 21.820 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.947 23.072 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.283 24.316 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.223 23.482 -5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.123 24.840 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 13 5.646 25.131 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.994 25.227 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.348 26.361 -6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.384 26.588 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.131 27.128 -4.256 1.00 0.00 H new ATOM 148 N GLN A 14 4.032 21.925 0.232 1.00 0.00 N ATOM 149 CA GLN A 14 3.893 21.017 1.364 1.00 0.00 C ATOM 150 C GLN A 14 3.141 19.754 0.960 1.00 0.00 C ATOM 151 O GLN A 14 1.912 19.748 0.885 1.00 0.00 O ATOM 152 CB GLN A 14 3.165 21.712 2.516 1.00 0.00 C ATOM 153 CG GLN A 14 3.737 23.078 2.862 1.00 0.00 C ATOM 154 CD GLN A 14 3.518 23.452 4.314 1.00 0.00 C ATOM 155 OE1 GLN A 14 3.108 22.621 5.126 1.00 0.00 O ATOM 156 NE2 GLN A 14 3.790 24.707 4.650 1.00 0.00 N ATOM 0 H GLN A 14 3.153 22.322 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 14 4.892 20.733 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.113 21.824 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.209 21.075 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.805 23.085 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.278 23.832 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.128 25.362 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.661 25.016 5.613 1.00 0.00 H new ATOM 165 N LEU A 15 3.886 18.685 0.701 1.00 0.00 N ATOM 166 CA LEU A 15 3.290 17.414 0.304 1.00 0.00 C ATOM 167 C LEU A 15 2.219 16.980 1.300 1.00 0.00 C ATOM 168 O LEU A 15 2.497 16.801 2.486 1.00 0.00 O ATOM 169 CB LEU A 15 4.368 16.335 0.193 1.00 0.00 C ATOM 170 CG LEU A 15 3.887 14.890 0.332 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.793 14.591 -0.681 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.050 13.923 0.165 1.00 0.00 C ATOM 0 H LEU A 15 4.904 18.673 0.759 1.00 0.00 H new ATOM 0 HA LEU A 15 2.820 17.550 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.862 16.441 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.121 16.522 0.959 1.00 0.00 H new ATOM 0 HG LEU A 15 3.473 14.760 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.464 13.558 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.950 15.261 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.180 14.739 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.690 12.899 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.494 14.055 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.801 14.121 0.930 1.00 0.00 H new ATOM 184 N SER A 16 0.995 16.811 0.810 1.00 0.00 N ATOM 185 CA SER A 16 -0.117 16.400 1.658 1.00 0.00 C ATOM 186 C SER A 16 -0.542 14.969 1.339 1.00 0.00 C ATOM 187 O SER A 16 -0.933 14.645 0.218 1.00 0.00 O ATOM 188 CB SER A 16 -1.303 17.348 1.475 1.00 0.00 C ATOM 189 OG SER A 16 -2.252 17.185 2.515 1.00 0.00 O ATOM 0 H SER A 16 0.749 16.952 -0.170 1.00 0.00 H new ATOM 0 HA SER A 16 0.215 16.441 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.949 18.379 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.778 17.159 0.512 1.00 0.00 H new ATOM 0 HG SER A 16 -2.999 17.803 2.376 1.00 0.00 H new ATOM 195 N PRO A 17 -0.465 14.091 2.350 1.00 0.00 N ATOM 196 CA PRO A 17 -0.837 12.681 2.204 1.00 0.00 C ATOM 197 C PRO A 17 -2.340 12.493 2.028 1.00 0.00 C ATOM 198 O PRO A 17 -2.782 11.710 1.188 1.00 0.00 O ATOM 199 CB PRO A 17 -0.371 12.053 3.520 1.00 0.00 C ATOM 200 CG PRO A 17 -0.372 13.177 4.498 1.00 0.00 C ATOM 201 CD PRO A 17 -0.008 14.408 3.714 1.00 0.00 C ATOM 0 HA PRO A 17 -0.388 12.231 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.041 11.253 3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.623 11.616 3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.351 13.287 4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.345 12.998 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.503 15.296 4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.064 14.601 3.744 1.00 0.00 H new ATOM 209 N GLU A 18 -3.120 13.218 2.824 1.00 0.00 N ATOM 210 CA GLU A 18 -4.574 13.130 2.754 1.00 0.00 C ATOM 211 C GLU A 18 -5.072 13.455 1.348 1.00 0.00 C ATOM 212 O GLU A 18 -6.011 12.834 0.851 1.00 0.00 O ATOM 213 CB GLU A 18 -5.214 14.082 3.766 1.00 0.00 C ATOM 214 CG GLU A 18 -4.772 15.527 3.606 1.00 0.00 C ATOM 215 CD GLU A 18 -5.368 16.440 4.661 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.606 16.609 4.667 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.598 16.985 5.479 1.00 0.00 O ATOM 0 H GLU A 18 -2.770 13.872 3.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.862 12.107 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.298 14.029 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.970 13.746 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.684 15.578 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.060 15.884 2.617 1.00 0.00 H new ATOM 224 N LYS A 19 -4.436 14.434 0.713 1.00 0.00 N ATOM 225 CA LYS A 19 -4.811 14.843 -0.635 1.00 0.00 C ATOM 226 C LYS A 19 -4.476 13.753 -1.648 1.00 0.00 C ATOM 227 O LYS A 19 -5.340 13.305 -2.401 1.00 0.00 O ATOM 228 CB LYS A 19 -4.098 16.143 -1.013 1.00 0.00 C ATOM 229 CG LYS A 19 -4.617 17.361 -0.269 1.00 0.00 C ATOM 230 CD LYS A 19 -5.743 18.041 -1.029 1.00 0.00 C ATOM 231 CE LYS A 19 -6.887 17.078 -1.309 1.00 0.00 C ATOM 232 NZ LYS A 19 -8.099 17.786 -1.807 1.00 0.00 N ATOM 0 H LYS A 19 -3.658 14.959 1.111 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.888 15.009 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.032 16.034 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.207 16.309 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.971 17.062 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.802 18.068 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.113 18.889 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.361 18.437 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.569 16.341 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.134 16.533 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.856 17.095 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.418 18.472 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.871 18.286 -2.690 1.00 0.00 H new ATOM 246 N SER A 20 -3.216 13.330 -1.659 1.00 0.00 N ATOM 247 CA SER A 20 -2.765 12.294 -2.581 1.00 0.00 C ATOM 248 C SER A 20 -3.860 11.255 -2.807 1.00 0.00 C ATOM 249 O SER A 20 -4.656 10.972 -1.913 1.00 0.00 O ATOM 250 CB SER A 20 -1.505 11.614 -2.041 1.00 0.00 C ATOM 251 OG SER A 20 -0.426 12.528 -1.964 1.00 0.00 O ATOM 0 H SER A 20 -2.489 13.689 -1.040 1.00 0.00 H new ATOM 0 HA SER A 20 -2.533 12.767 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.706 11.200 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.233 10.779 -2.687 1.00 0.00 H new ATOM 0 HG SER A 20 -0.586 13.163 -1.235 1.00 0.00 H new ATOM 257 N GLU A 21 -3.892 10.692 -4.011 1.00 0.00 N ATOM 258 CA GLU A 21 -4.889 9.685 -4.356 1.00 0.00 C ATOM 259 C GLU A 21 -4.223 8.362 -4.722 1.00 0.00 C ATOM 260 O GLU A 21 -3.195 8.339 -5.399 1.00 0.00 O ATOM 261 CB GLU A 21 -5.756 10.171 -5.520 1.00 0.00 C ATOM 262 CG GLU A 21 -6.364 11.545 -5.293 1.00 0.00 C ATOM 263 CD GLU A 21 -7.465 11.866 -6.285 1.00 0.00 C ATOM 264 OE1 GLU A 21 -7.148 12.394 -7.372 1.00 0.00 O ATOM 265 OE2 GLU A 21 -8.643 11.591 -5.975 1.00 0.00 O ATOM 0 H GLU A 21 -3.240 10.916 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.522 9.524 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.152 10.196 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.557 9.452 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.765 11.598 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.582 12.301 -5.366 1.00 0.00 H new ATOM 272 N ILE A 22 -4.816 7.263 -4.268 1.00 0.00 N ATOM 273 CA ILE A 22 -4.281 5.936 -4.548 1.00 0.00 C ATOM 274 C ILE A 22 -5.275 5.099 -5.346 1.00 0.00 C ATOM 275 O ILE A 22 -6.200 4.513 -4.785 1.00 0.00 O ATOM 276 CB ILE A 22 -3.924 5.188 -3.250 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.854 5.956 -2.470 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.447 3.778 -3.565 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.380 5.238 -1.226 1.00 0.00 C ATOM 0 H ILE A 22 -5.667 7.265 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.375 6.079 -5.137 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.818 5.118 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.000 6.137 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.252 6.931 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.199 3.262 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.237 3.234 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.563 3.826 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.623 5.841 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.223 5.081 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.952 4.274 -1.503 1.00 0.00 H new ATOM 291 N TRP A 23 -5.076 5.047 -6.658 1.00 0.00 N ATOM 292 CA TRP A 23 -5.954 4.280 -7.534 1.00 0.00 C ATOM 293 C TRP A 23 -5.248 3.033 -8.056 1.00 0.00 C ATOM 294 O TRP A 23 -4.020 2.977 -8.102 1.00 0.00 O ATOM 295 CB TRP A 23 -6.420 5.145 -8.707 1.00 0.00 C ATOM 296 CG TRP A 23 -5.376 5.321 -9.767 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.139 4.496 -10.829 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.428 6.389 -9.867 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.100 4.986 -11.583 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.647 6.147 -11.014 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.163 7.527 -9.100 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.621 7.001 -11.409 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.144 8.373 -9.494 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.383 8.107 -10.640 1.00 0.00 C ATOM 0 H TRP A 23 -4.315 5.527 -7.139 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.822 3.968 -6.954 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.307 4.694 -9.152 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.715 6.125 -8.332 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.688 3.591 -11.045 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.727 4.555 -12.429 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.744 7.741 -8.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.033 6.797 -12.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.930 9.255 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.594 8.788 -10.922 1.00 0.00 H new ATOM 315 N GLY A 24 -6.034 2.034 -8.448 1.00 0.00 N ATOM 316 CA GLY A 24 -5.465 0.801 -8.961 1.00 0.00 C ATOM 317 C GLY A 24 -6.444 -0.355 -8.906 1.00 0.00 C ATOM 318 O GLY A 24 -7.392 -0.357 -8.120 1.00 0.00 O ATOM 0 H GLY A 24 -7.053 2.057 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.145 0.953 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.575 0.548 -8.385 1.00 0.00 H new ATOM 322 N PRO A 25 -6.220 -1.366 -9.758 1.00 0.00 N ATOM 323 CA PRO A 25 -7.079 -2.552 -9.824 1.00 0.00 C ATOM 324 C PRO A 25 -6.944 -3.434 -8.588 1.00 0.00 C ATOM 325 O PRO A 25 -7.648 -4.433 -8.447 1.00 0.00 O ATOM 326 CB PRO A 25 -6.572 -3.290 -11.065 1.00 0.00 C ATOM 327 CG PRO A 25 -5.156 -2.850 -11.215 1.00 0.00 C ATOM 328 CD PRO A 25 -5.109 -1.430 -10.723 1.00 0.00 C ATOM 0 HA PRO A 25 -8.135 -2.288 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.640 -4.370 -10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.161 -3.035 -11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.486 -3.486 -10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.836 -2.913 -12.255 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.154 -1.200 -10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.243 -0.718 -11.537 1.00 0.00 H new ATOM 336 N GLY A 26 -6.035 -3.058 -7.693 1.00 0.00 N ATOM 337 CA GLY A 26 -5.826 -3.826 -6.480 1.00 0.00 C ATOM 338 C GLY A 26 -6.849 -3.508 -5.408 1.00 0.00 C ATOM 339 O GLY A 26 -7.054 -4.294 -4.482 1.00 0.00 O ATOM 0 H GLY A 26 -5.440 -2.235 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.870 -4.889 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.826 -3.625 -6.095 1.00 0.00 H new ATOM 343 N LEU A 27 -7.492 -2.352 -5.531 1.00 0.00 N ATOM 344 CA LEU A 27 -8.499 -1.930 -4.563 1.00 0.00 C ATOM 345 C LEU A 27 -9.894 -2.357 -5.009 1.00 0.00 C ATOM 346 O LEU A 27 -10.889 -2.049 -4.352 1.00 0.00 O ATOM 347 CB LEU A 27 -8.453 -0.413 -4.378 1.00 0.00 C ATOM 348 CG LEU A 27 -7.100 0.172 -3.969 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.181 1.688 -3.876 1.00 0.00 C ATOM 350 CD2 LEU A 27 -6.640 -0.422 -2.646 1.00 0.00 C ATOM 0 H LEU A 27 -7.334 -1.690 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.278 -2.412 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.762 0.057 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.189 -0.136 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.367 -0.086 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.210 2.087 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.465 2.097 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.927 1.968 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.676 0.006 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.372 -0.195 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.542 -1.503 -2.747 1.00 0.00 H new ATOM 362 N LYS A 28 -9.960 -3.070 -6.128 1.00 0.00 N ATOM 363 CA LYS A 28 -11.232 -3.543 -6.661 1.00 0.00 C ATOM 364 C LYS A 28 -11.775 -4.699 -5.827 1.00 0.00 C ATOM 365 O LYS A 28 -11.130 -5.151 -4.882 1.00 0.00 O ATOM 366 CB LYS A 28 -11.067 -3.984 -8.117 1.00 0.00 C ATOM 367 CG LYS A 28 -10.733 -2.844 -9.063 1.00 0.00 C ATOM 368 CD LYS A 28 -11.969 -2.038 -9.424 1.00 0.00 C ATOM 369 CE LYS A 28 -11.621 -0.590 -9.733 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.827 0.206 -10.093 1.00 0.00 N ATOM 0 H LYS A 28 -9.146 -3.333 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.945 -2.719 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.279 -4.735 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.988 -4.463 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.994 -2.190 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.281 -3.244 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.458 -2.488 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.681 -2.074 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.135 -0.141 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.905 -0.556 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.548 1.187 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.277 -0.207 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.500 0.195 -9.300 1.00 0.00 H new ATOM 384 N ALA A 29 -12.964 -5.174 -6.185 1.00 0.00 N ATOM 385 CA ALA A 29 -13.591 -6.280 -5.472 1.00 0.00 C ATOM 386 C ALA A 29 -13.180 -7.622 -6.069 1.00 0.00 C ATOM 387 O ALA A 29 -12.855 -8.562 -5.343 1.00 0.00 O ATOM 388 CB ALA A 29 -15.105 -6.131 -5.494 1.00 0.00 C ATOM 0 H ALA A 29 -13.512 -4.810 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.249 -6.253 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.560 -6.964 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.385 -5.194 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.455 -6.129 -6.526 1.00 0.00 H new ATOM 394 N ASP A 30 -13.197 -7.704 -7.395 1.00 0.00 N ATOM 395 CA ASP A 30 -12.826 -8.931 -8.090 1.00 0.00 C ATOM 396 C ASP A 30 -11.443 -8.801 -8.720 1.00 0.00 C ATOM 397 O ASP A 30 -11.312 -8.406 -9.879 1.00 0.00 O ATOM 398 CB ASP A 30 -13.861 -9.266 -9.165 1.00 0.00 C ATOM 399 CG ASP A 30 -15.092 -9.941 -8.592 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.815 -9.292 -7.808 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.334 -11.119 -8.930 1.00 0.00 O ATOM 0 H ASP A 30 -13.464 -6.935 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.798 -9.740 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.157 -8.351 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.407 -9.917 -9.912 1.00 0.00 H new ATOM 406 N VAL A 31 -10.413 -9.136 -7.950 1.00 0.00 N ATOM 407 CA VAL A 31 -9.040 -9.057 -8.433 1.00 0.00 C ATOM 408 C VAL A 31 -8.667 -10.299 -9.234 1.00 0.00 C ATOM 409 O VAL A 31 -9.417 -11.275 -9.272 1.00 0.00 O ATOM 410 CB VAL A 31 -8.044 -8.892 -7.269 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.300 -7.589 -6.527 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.131 -10.080 -6.322 1.00 0.00 C ATOM 0 H VAL A 31 -10.504 -9.465 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.982 -8.181 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.035 -8.856 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.587 -7.490 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.183 -6.750 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.314 -7.591 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.421 -9.947 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.141 -10.149 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.894 -10.995 -6.864 1.00 0.00 H new ATOM 422 N VAL A 32 -7.502 -10.256 -9.874 1.00 0.00 N ATOM 423 CA VAL A 32 -7.028 -11.379 -10.674 1.00 0.00 C ATOM 424 C VAL A 32 -6.650 -12.563 -9.790 1.00 0.00 C ATOM 425 O VAL A 32 -6.369 -12.400 -8.602 1.00 0.00 O ATOM 426 CB VAL A 32 -5.811 -10.983 -11.531 1.00 0.00 C ATOM 427 CG1 VAL A 32 -6.140 -9.781 -12.402 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.607 -10.697 -10.646 1.00 0.00 C ATOM 0 H VAL A 32 -6.870 -9.456 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.848 -11.668 -11.332 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.562 -11.818 -12.185 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.268 -9.516 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.972 -10.027 -13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.416 -8.938 -11.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.756 -10.419 -11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.842 -9.879 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.359 -11.588 -10.070 1.00 0.00 H new ATOM 438 N LEU A 33 -6.645 -13.754 -10.377 1.00 0.00 N ATOM 439 CA LEU A 33 -6.300 -14.967 -9.644 1.00 0.00 C ATOM 440 C LEU A 33 -5.107 -14.728 -8.725 1.00 0.00 C ATOM 441 O LEU A 33 -5.190 -14.881 -7.506 1.00 0.00 O ATOM 442 CB LEU A 33 -5.988 -16.105 -10.618 1.00 0.00 C ATOM 443 CG LEU A 33 -7.154 -17.031 -10.964 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.650 -17.753 -9.721 1.00 0.00 C ATOM 445 CD2 LEU A 33 -8.284 -16.246 -11.614 1.00 0.00 C ATOM 0 H LEU A 33 -6.876 -13.906 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.157 -15.246 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.608 -15.671 -11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.184 -16.708 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.801 -17.777 -11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.480 -18.407 -9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.840 -18.348 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.986 -17.022 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.105 -16.921 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.635 -15.477 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.922 -15.777 -12.529 1.00 0.00 H new ATOM 457 N PRO A 34 -3.969 -14.340 -9.320 1.00 0.00 N ATOM 458 CA PRO A 34 -2.738 -14.068 -8.573 1.00 0.00 C ATOM 459 C PRO A 34 -2.840 -12.804 -7.727 1.00 0.00 C ATOM 460 O PRO A 34 -3.265 -12.850 -6.573 1.00 0.00 O ATOM 461 CB PRO A 34 -1.688 -13.892 -9.673 1.00 0.00 C ATOM 462 CG PRO A 34 -2.461 -13.456 -10.869 1.00 0.00 C ATOM 463 CD PRO A 34 -3.798 -14.138 -10.769 1.00 0.00 C ATOM 0 HA PRO A 34 -2.506 -14.864 -7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.941 -13.149 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.155 -14.823 -9.864 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.576 -12.372 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.948 -13.736 -11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.595 -13.523 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.808 -15.084 -11.311 1.00 0.00 H new ATOM 471 N ALA A 35 -2.449 -11.675 -8.309 1.00 0.00 N ATOM 472 CA ALA A 35 -2.499 -10.397 -7.609 1.00 0.00 C ATOM 473 C ALA A 35 -2.380 -9.231 -8.585 1.00 0.00 C ATOM 474 O ALA A 35 -2.102 -9.426 -9.768 1.00 0.00 O ATOM 475 CB ALA A 35 -1.399 -10.326 -6.561 1.00 0.00 C ATOM 0 H ALA A 35 -2.094 -11.619 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.465 -10.321 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.448 -9.366 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.531 -11.132 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.428 -10.428 -7.045 1.00 0.00 H new ATOM 481 N ARG A 36 -2.592 -8.020 -8.081 1.00 0.00 N ATOM 482 CA ARG A 36 -2.510 -6.823 -8.909 1.00 0.00 C ATOM 483 C ARG A 36 -1.829 -5.685 -8.155 1.00 0.00 C ATOM 484 O ARG A 36 -2.035 -5.512 -6.953 1.00 0.00 O ATOM 485 CB ARG A 36 -3.908 -6.388 -9.355 1.00 0.00 C ATOM 486 CG ARG A 36 -4.386 -7.080 -10.621 1.00 0.00 C ATOM 487 CD ARG A 36 -3.952 -6.323 -11.867 1.00 0.00 C ATOM 488 NE ARG A 36 -3.761 -7.212 -13.009 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.718 -6.792 -14.268 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.851 -5.502 -14.546 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.540 -7.663 -15.254 1.00 0.00 N ATOM 0 H ARG A 36 -2.822 -7.842 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.913 -7.062 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.616 -6.590 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.909 -5.310 -9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.990 -8.095 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.473 -7.162 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.702 -5.572 -12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.023 -5.791 -11.663 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.655 -8.211 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.987 -4.829 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.817 -5.183 -15.514 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.436 -8.656 -15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.507 -7.339 -16.221 1.00 0.00 H new ATOM 505 N TYR A 37 -1.016 -4.914 -8.867 1.00 0.00 N ATOM 506 CA TYR A 37 -0.301 -3.795 -8.264 1.00 0.00 C ATOM 507 C TYR A 37 -0.994 -2.472 -8.579 1.00 0.00 C ATOM 508 O TYR A 37 -1.804 -2.387 -9.503 1.00 0.00 O ATOM 509 CB TYR A 37 1.144 -3.757 -8.764 1.00 0.00 C ATOM 510 CG TYR A 37 1.263 -3.650 -10.267 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.262 -4.786 -11.067 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.375 -2.412 -10.889 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.371 -4.693 -12.441 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.483 -2.309 -12.262 1.00 0.00 C ATOM 515 CZ TYR A 37 1.481 -3.452 -13.034 1.00 0.00 C ATOM 516 OH TYR A 37 1.588 -3.355 -14.402 1.00 0.00 O ATOM 0 H TYR A 37 -0.835 -5.043 -9.863 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.302 -3.937 -7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.656 -2.910 -8.306 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.659 -4.658 -8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.174 -5.759 -10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.378 -1.515 -10.288 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.370 -5.587 -13.048 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.569 -1.339 -12.729 1.00 0.00 H new ATOM 0 HH TYR A 37 1.656 -2.412 -14.659 1.00 0.00 H new ATOM 526 N PHE A 38 -0.670 -1.443 -7.804 1.00 0.00 N ATOM 527 CA PHE A 38 -1.261 -0.124 -7.999 1.00 0.00 C ATOM 528 C PHE A 38 -0.181 0.953 -8.058 1.00 0.00 C ATOM 529 O PHE A 38 1.012 0.654 -8.004 1.00 0.00 O ATOM 530 CB PHE A 38 -2.246 0.188 -6.870 1.00 0.00 C ATOM 531 CG PHE A 38 -1.648 0.059 -5.499 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.376 -1.189 -4.962 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.358 1.186 -4.746 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.825 -1.311 -3.700 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.807 1.070 -3.484 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.541 -0.180 -2.960 1.00 0.00 C ATOM 0 H PHE A 38 -0.002 -1.497 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.796 -0.130 -8.949 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.624 1.202 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.101 -0.483 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.597 -2.077 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.565 2.166 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.617 -2.290 -3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.585 1.956 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.112 -0.273 -1.973 1.00 0.00 H new ATOM 546 N TYR A 39 -0.608 2.205 -8.169 1.00 0.00 N ATOM 547 CA TYR A 39 0.321 3.327 -8.239 1.00 0.00 C ATOM 548 C TYR A 39 0.013 4.358 -7.158 1.00 0.00 C ATOM 549 O TYR A 39 -1.144 4.557 -6.787 1.00 0.00 O ATOM 550 CB TYR A 39 0.257 3.984 -9.619 1.00 0.00 C ATOM 551 CG TYR A 39 0.298 2.996 -10.763 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.357 2.108 -10.903 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.725 2.950 -11.703 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.398 1.204 -11.947 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.693 2.048 -12.749 1.00 0.00 C ATOM 556 CZ TYR A 39 0.371 1.178 -12.867 1.00 0.00 C ATOM 557 OH TYR A 39 0.407 0.278 -13.908 1.00 0.00 O ATOM 0 H TYR A 39 -1.592 2.469 -8.213 1.00 0.00 H new ATOM 0 HA TYR A 39 1.327 2.943 -8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.658 4.572 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.091 4.679 -9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.162 2.125 -10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.559 3.631 -11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.230 0.522 -12.042 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.497 2.024 -13.470 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.392 0.389 -14.465 1.00 0.00 H new ATOM 567 N ILE A 40 1.057 5.010 -6.657 1.00 0.00 N ATOM 568 CA ILE A 40 0.899 6.021 -5.619 1.00 0.00 C ATOM 569 C ILE A 40 1.274 7.405 -6.139 1.00 0.00 C ATOM 570 O ILE A 40 2.445 7.685 -6.394 1.00 0.00 O ATOM 571 CB ILE A 40 1.758 5.699 -4.383 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.361 4.342 -3.798 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.615 6.795 -3.337 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.450 3.700 -2.967 1.00 0.00 C ATOM 0 H ILE A 40 2.021 4.856 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.152 6.016 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 40 2.803 5.650 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.471 4.468 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.092 3.669 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.229 6.552 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.943 7.745 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.571 6.874 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.099 2.742 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.334 3.542 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.703 4.353 -2.132 1.00 0.00 H new ATOM 586 N GLN A 41 0.273 8.265 -6.291 1.00 0.00 N ATOM 587 CA GLN A 41 0.499 9.621 -6.780 1.00 0.00 C ATOM 588 C GLN A 41 0.467 10.625 -5.632 1.00 0.00 C ATOM 589 O GLN A 41 -0.431 10.593 -4.791 1.00 0.00 O ATOM 590 CB GLN A 41 -0.554 9.990 -7.826 1.00 0.00 C ATOM 591 CG GLN A 41 -0.633 11.482 -8.109 1.00 0.00 C ATOM 592 CD GLN A 41 0.573 11.996 -8.870 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.152 11.285 -9.692 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.959 13.237 -8.600 1.00 0.00 N ATOM 0 H GLN A 41 -0.702 8.048 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 41 1.486 9.655 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.332 9.464 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.529 9.641 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.536 11.692 -8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.721 12.023 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.450 13.791 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.765 13.637 -9.081 1.00 0.00 H new ATOM 603 N ALA A 42 1.453 11.516 -5.605 1.00 0.00 N ATOM 604 CA ALA A 42 1.537 12.530 -4.562 1.00 0.00 C ATOM 605 C ALA A 42 0.746 13.777 -4.944 1.00 0.00 C ATOM 606 O ALA A 42 0.627 14.112 -6.122 1.00 0.00 O ATOM 607 CB ALA A 42 2.990 12.888 -4.289 1.00 0.00 C ATOM 0 H ALA A 42 2.204 11.556 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 42 1.099 12.118 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.037 13.647 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.529 11.998 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.446 13.276 -5.200 1.00 0.00 H new ATOM 613 N VAL A 43 0.205 14.460 -3.939 1.00 0.00 N ATOM 614 CA VAL A 43 -0.574 15.670 -4.170 1.00 0.00 C ATOM 615 C VAL A 43 -0.300 16.714 -3.093 1.00 0.00 C ATOM 616 O VAL A 43 0.040 16.377 -1.959 1.00 0.00 O ATOM 617 CB VAL A 43 -2.084 15.367 -4.204 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.885 16.656 -4.312 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.413 14.427 -5.353 1.00 0.00 C ATOM 0 H VAL A 43 0.292 14.195 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.268 16.064 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.359 14.874 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.949 16.422 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.671 17.290 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.609 17.180 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.484 14.224 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.124 14.890 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.867 13.492 -5.226 1.00 0.00 H new ATOM 629 N ASP A 44 -0.452 17.983 -3.456 1.00 0.00 N ATOM 630 CA ASP A 44 -0.222 19.078 -2.520 1.00 0.00 C ATOM 631 C ASP A 44 -1.461 19.333 -1.667 1.00 0.00 C ATOM 632 O ASP A 44 -2.479 18.655 -1.812 1.00 0.00 O ATOM 633 CB ASP A 44 0.163 20.351 -3.276 1.00 0.00 C ATOM 634 CG ASP A 44 1.006 21.290 -2.436 1.00 0.00 C ATOM 635 OD1 ASP A 44 1.707 20.803 -1.525 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.965 22.512 -2.690 1.00 0.00 O ATOM 0 H ASP A 44 -0.733 18.279 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 44 0.598 18.794 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.713 20.082 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.742 20.868 -3.596 1.00 0.00 H new ATOM 641 N THR A 45 -1.368 20.315 -0.776 1.00 0.00 N ATOM 642 CA THR A 45 -2.480 20.658 0.102 1.00 0.00 C ATOM 643 C THR A 45 -3.563 21.420 -0.654 1.00 0.00 C ATOM 644 O THR A 45 -4.539 21.881 -0.063 1.00 0.00 O ATOM 645 CB THR A 45 -2.010 21.508 1.298 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.730 22.845 0.868 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.768 20.904 1.936 1.00 0.00 C ATOM 0 H THR A 45 -0.534 20.887 -0.643 1.00 0.00 H new ATOM 0 HA THR A 45 -2.891 19.719 0.472 1.00 0.00 H new ATOM 0 HB THR A 45 -2.808 21.525 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.434 23.380 1.634 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.455 21.521 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.993 19.897 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.035 20.860 1.200 1.00 0.00 H new ATOM 655 N SER A 46 -3.384 21.548 -1.965 1.00 0.00 N ATOM 656 CA SER A 46 -4.344 22.258 -2.802 1.00 0.00 C ATOM 657 C SER A 46 -5.000 21.309 -3.801 1.00 0.00 C ATOM 658 O SER A 46 -6.067 21.598 -4.340 1.00 0.00 O ATOM 659 CB SER A 46 -3.656 23.404 -3.546 1.00 0.00 C ATOM 660 OG SER A 46 -3.363 24.478 -2.669 1.00 0.00 O ATOM 0 H SER A 46 -2.583 21.169 -2.470 1.00 0.00 H new ATOM 0 HA SER A 46 -5.119 22.669 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.735 23.043 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.298 23.755 -4.354 1.00 0.00 H new ATOM 0 HG SER A 46 -2.922 25.197 -3.168 1.00 0.00 H new ATOM 666 N GLY A 47 -4.351 20.173 -4.042 1.00 0.00 N ATOM 667 CA GLY A 47 -4.885 19.198 -4.975 1.00 0.00 C ATOM 668 C GLY A 47 -4.143 19.195 -6.297 1.00 0.00 C ATOM 669 O GLY A 47 -4.741 18.983 -7.351 1.00 0.00 O ATOM 0 H GLY A 47 -3.466 19.911 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.831 18.205 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.939 19.410 -5.154 1.00 0.00 H new ATOM 673 N ASN A 48 -2.836 19.432 -6.241 1.00 0.00 N ATOM 674 CA ASN A 48 -2.012 19.458 -7.444 1.00 0.00 C ATOM 675 C ASN A 48 -0.982 18.333 -7.422 1.00 0.00 C ATOM 676 O ASN A 48 -0.475 17.961 -6.364 1.00 0.00 O ATOM 677 CB ASN A 48 -1.306 20.809 -7.575 1.00 0.00 C ATOM 678 CG ASN A 48 -0.263 21.023 -6.495 1.00 0.00 C ATOM 679 OD1 ASN A 48 0.733 20.303 -6.427 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.489 22.017 -5.644 1.00 0.00 N ATOM 0 H ASN A 48 -2.325 19.609 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.665 19.312 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.830 20.874 -8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.045 21.609 -7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.177 22.209 -4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.329 22.588 -5.739 1.00 0.00 H new ATOM 687 N LYS A 49 -0.676 17.796 -8.598 1.00 0.00 N ATOM 688 CA LYS A 49 0.295 16.714 -8.716 1.00 0.00 C ATOM 689 C LYS A 49 1.718 17.240 -8.554 1.00 0.00 C ATOM 690 O LYS A 49 2.030 18.354 -8.977 1.00 0.00 O ATOM 691 CB LYS A 49 0.149 16.015 -10.070 1.00 0.00 C ATOM 692 CG LYS A 49 -1.086 15.136 -10.170 1.00 0.00 C ATOM 693 CD LYS A 49 -1.351 14.711 -11.605 1.00 0.00 C ATOM 694 CE LYS A 49 -2.285 13.511 -11.666 1.00 0.00 C ATOM 695 NZ LYS A 49 -2.852 13.319 -13.029 1.00 0.00 N ATOM 0 H LYS A 49 -1.086 18.092 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 49 0.099 15.995 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.113 16.769 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.034 15.406 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.957 14.252 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.951 15.676 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.788 15.543 -12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.408 14.465 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.743 12.613 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.096 13.645 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.483 12.492 -13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.391 14.165 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.079 13.165 -13.708 1.00 0.00 H new ATOM 709 N PHE A 50 2.576 16.432 -7.942 1.00 0.00 N ATOM 710 CA PHE A 50 3.966 16.817 -7.725 1.00 0.00 C ATOM 711 C PHE A 50 4.809 16.531 -8.965 1.00 0.00 C ATOM 712 O PHE A 50 5.669 17.327 -9.343 1.00 0.00 O ATOM 713 CB PHE A 50 4.542 16.070 -6.520 1.00 0.00 C ATOM 714 CG PHE A 50 4.369 16.805 -5.221 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.105 17.118 -4.750 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.472 17.183 -4.472 1.00 0.00 C ATOM 717 CE1 PHE A 50 2.942 17.794 -3.555 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.316 17.858 -3.276 1.00 0.00 C ATOM 719 CZ PHE A 50 4.049 18.165 -2.818 1.00 0.00 C ATOM 0 H PHE A 50 2.334 15.507 -7.587 1.00 0.00 H new ATOM 0 HA PHE A 50 3.994 17.888 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.061 15.095 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.604 15.890 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.236 16.831 -5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.465 16.948 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.951 18.031 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.183 18.145 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.925 18.694 -1.885 1.00 0.00 H new ATOM 729 N THR A 51 4.557 15.387 -9.594 1.00 0.00 N ATOM 730 CA THR A 51 5.292 14.994 -10.789 1.00 0.00 C ATOM 731 C THR A 51 6.796 15.125 -10.578 1.00 0.00 C ATOM 732 O THR A 51 7.554 15.293 -11.532 1.00 0.00 O ATOM 733 CB THR A 51 4.880 15.844 -12.007 1.00 0.00 C ATOM 734 OG1 THR A 51 5.169 17.224 -11.761 1.00 0.00 O ATOM 735 CG2 THR A 51 3.399 15.676 -12.307 1.00 0.00 C ATOM 0 H THR A 51 3.849 14.716 -9.295 1.00 0.00 H new ATOM 0 HA THR A 51 5.045 13.950 -10.983 1.00 0.00 H new ATOM 0 HB THR A 51 5.450 15.503 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.842 17.296 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.131 16.285 -13.170 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.188 14.629 -12.522 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.815 15.994 -11.444 1.00 0.00 H new ATOM 743 N SER A 52 7.221 15.047 -9.321 1.00 0.00 N ATOM 744 CA SER A 52 8.635 15.160 -8.983 1.00 0.00 C ATOM 745 C SER A 52 9.090 13.972 -8.141 1.00 0.00 C ATOM 746 O SER A 52 8.284 13.124 -7.758 1.00 0.00 O ATOM 747 CB SER A 52 8.899 16.465 -8.229 1.00 0.00 C ATOM 748 OG SER A 52 8.442 17.584 -8.970 1.00 0.00 O ATOM 0 H SER A 52 6.606 14.906 -8.520 1.00 0.00 H new ATOM 0 HA SER A 52 9.205 15.164 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.399 16.437 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.967 16.566 -8.033 1.00 0.00 H new ATOM 0 HG SER A 52 7.470 17.526 -9.084 1.00 0.00 H new ATOM 754 N SER A 53 10.387 13.918 -7.857 1.00 0.00 N ATOM 755 CA SER A 53 10.951 12.833 -7.063 1.00 0.00 C ATOM 756 C SER A 53 11.165 13.271 -5.617 1.00 0.00 C ATOM 757 O SER A 53 12.140 13.944 -5.284 1.00 0.00 O ATOM 758 CB SER A 53 12.276 12.366 -7.668 1.00 0.00 C ATOM 759 OG SER A 53 12.701 11.146 -7.086 1.00 0.00 O ATOM 0 H SER A 53 11.067 14.613 -8.165 1.00 0.00 H new ATOM 0 HA SER A 53 10.243 12.004 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.163 12.239 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.038 13.130 -7.516 1.00 0.00 H new ATOM 0 HG SER A 53 13.549 10.868 -7.491 1.00 0.00 H new ATOM 765 N PRO A 54 10.231 12.881 -4.737 1.00 0.00 N ATOM 766 CA PRO A 54 10.294 13.221 -3.313 1.00 0.00 C ATOM 767 C PRO A 54 11.420 12.488 -2.591 1.00 0.00 C ATOM 768 O PRO A 54 12.208 13.098 -1.869 1.00 0.00 O ATOM 769 CB PRO A 54 8.933 12.767 -2.779 1.00 0.00 C ATOM 770 CG PRO A 54 8.497 11.694 -3.717 1.00 0.00 C ATOM 771 CD PRO A 54 9.042 12.076 -5.065 1.00 0.00 C ATOM 0 HA PRO A 54 10.497 14.280 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.013 12.392 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.220 13.591 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.878 10.722 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.410 11.616 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.302 11.198 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.317 12.648 -5.644 1.00 0.00 H new ATOM 779 N GLY A 55 11.491 11.176 -2.792 1.00 0.00 N ATOM 780 CA GLY A 55 12.524 10.382 -2.154 1.00 0.00 C ATOM 781 C GLY A 55 12.458 8.919 -2.546 1.00 0.00 C ATOM 782 O GLY A 55 11.590 8.517 -3.320 1.00 0.00 O ATOM 0 H GLY A 55 10.851 10.649 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.502 10.782 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.428 10.469 -1.072 1.00 0.00 H new ATOM 786 N GLU A 56 13.378 8.122 -2.012 1.00 0.00 N ATOM 787 CA GLU A 56 13.420 6.696 -2.313 1.00 0.00 C ATOM 788 C GLU A 56 12.539 5.909 -1.347 1.00 0.00 C ATOM 789 O GLU A 56 11.967 4.881 -1.708 1.00 0.00 O ATOM 790 CB GLU A 56 14.859 6.180 -2.244 1.00 0.00 C ATOM 791 CG GLU A 56 15.538 6.446 -0.911 1.00 0.00 C ATOM 792 CD GLU A 56 16.161 7.827 -0.839 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.208 8.039 -1.486 1.00 0.00 O ATOM 794 OE2 GLU A 56 15.603 8.694 -0.135 1.00 0.00 O ATOM 0 H GLU A 56 14.104 8.439 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 56 13.038 6.553 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.861 5.107 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.442 6.646 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.809 6.338 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.309 5.694 -0.744 1.00 0.00 H new ATOM 801 N LYS A 57 12.435 6.400 -0.117 1.00 0.00 N ATOM 802 CA LYS A 57 11.625 5.745 0.903 1.00 0.00 C ATOM 803 C LYS A 57 10.746 6.757 1.632 1.00 0.00 C ATOM 804 O LYS A 57 10.861 6.933 2.845 1.00 0.00 O ATOM 805 CB LYS A 57 12.521 5.015 1.906 1.00 0.00 C ATOM 806 CG LYS A 57 13.304 3.865 1.297 1.00 0.00 C ATOM 807 CD LYS A 57 12.401 2.688 0.967 1.00 0.00 C ATOM 808 CE LYS A 57 13.114 1.664 0.098 1.00 0.00 C ATOM 809 NZ LYS A 57 14.109 0.874 0.875 1.00 0.00 N ATOM 0 H LYS A 57 12.902 7.250 0.198 1.00 0.00 H new ATOM 0 HA LYS A 57 10.980 5.019 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.220 5.728 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.905 4.633 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.806 4.205 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.081 3.545 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.068 2.214 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.509 3.046 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.381 0.990 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.617 2.173 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.573 0.187 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.823 1.514 1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.626 0.368 1.645 1.00 0.00 H new ATOM 823 N VAL A 58 9.868 7.419 0.885 1.00 0.00 N ATOM 824 CA VAL A 58 8.968 8.411 1.462 1.00 0.00 C ATOM 825 C VAL A 58 7.630 7.786 1.838 1.00 0.00 C ATOM 826 O VAL A 58 7.039 8.128 2.863 1.00 0.00 O ATOM 827 CB VAL A 58 8.722 9.578 0.487 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.030 10.275 0.147 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.029 9.082 -0.773 1.00 0.00 C ATOM 0 H VAL A 58 9.761 7.286 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 58 9.452 8.794 2.361 1.00 0.00 H new ATOM 0 HB VAL A 58 8.068 10.302 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.836 11.096 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.482 10.666 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.711 9.563 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.863 9.919 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.655 8.337 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.071 8.634 -0.509 1.00 0.00 H new ATOM 839 N PHE A 59 7.156 6.867 1.003 1.00 0.00 N ATOM 840 CA PHE A 59 5.886 6.194 1.247 1.00 0.00 C ATOM 841 C PHE A 59 6.110 4.735 1.634 1.00 0.00 C ATOM 842 O PHE A 59 7.200 4.194 1.451 1.00 0.00 O ATOM 843 CB PHE A 59 4.995 6.273 0.006 1.00 0.00 C ATOM 844 CG PHE A 59 4.542 7.668 -0.318 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.918 8.449 0.642 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.739 8.198 -1.583 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.500 9.733 0.347 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.323 9.482 -1.884 1.00 0.00 C ATOM 849 CZ PHE A 59 3.702 10.250 -0.918 1.00 0.00 C ATOM 0 H PHE A 59 7.633 6.571 0.151 1.00 0.00 H new ATOM 0 HA PHE A 59 5.389 6.700 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.538 5.868 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.120 5.641 0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.756 8.050 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.223 7.602 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.016 10.331 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.483 9.884 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.375 11.253 -1.151 1.00 0.00 H new ATOM 859 N GLN A 60 5.069 4.105 2.170 1.00 0.00 N ATOM 860 CA GLN A 60 5.152 2.709 2.584 1.00 0.00 C ATOM 861 C GLN A 60 3.793 2.026 2.471 1.00 0.00 C ATOM 862 O GLN A 60 2.752 2.682 2.508 1.00 0.00 O ATOM 863 CB GLN A 60 5.667 2.612 4.021 1.00 0.00 C ATOM 864 CG GLN A 60 5.656 1.196 4.576 1.00 0.00 C ATOM 865 CD GLN A 60 6.560 1.036 5.783 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.784 1.019 5.658 1.00 0.00 O ATOM 867 NE2 GLN A 60 5.959 0.917 6.961 1.00 0.00 N ATOM 0 H GLN A 60 4.159 4.539 2.328 1.00 0.00 H new ATOM 0 HA GLN A 60 5.850 2.200 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.684 3.001 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.057 3.249 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.637 0.926 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.970 0.502 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.941 0.936 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.516 0.806 7.809 1.00 0.00 H new ATOM 876 N VAL A 61 3.811 0.704 2.333 1.00 0.00 N ATOM 877 CA VAL A 61 2.580 -0.068 2.215 1.00 0.00 C ATOM 878 C VAL A 61 2.640 -1.331 3.066 1.00 0.00 C ATOM 879 O VAL A 61 3.662 -2.017 3.109 1.00 0.00 O ATOM 880 CB VAL A 61 2.302 -0.462 0.752 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.018 -1.271 0.650 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.232 0.777 -0.129 1.00 0.00 C ATOM 0 H VAL A 61 4.664 0.146 2.300 1.00 0.00 H new ATOM 0 HA VAL A 61 1.771 0.570 2.572 1.00 0.00 H new ATOM 0 HB VAL A 61 3.124 -1.085 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.839 -1.540 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.111 -2.178 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.183 -0.676 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.035 0.480 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.430 1.427 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.180 1.312 -0.081 1.00 0.00 H new ATOM 892 N LYS A 62 1.538 -1.634 3.744 1.00 0.00 N ATOM 893 CA LYS A 62 1.463 -2.816 4.595 1.00 0.00 C ATOM 894 C LYS A 62 0.278 -3.694 4.203 1.00 0.00 C ATOM 895 O LYS A 62 -0.853 -3.219 4.105 1.00 0.00 O ATOM 896 CB LYS A 62 1.343 -2.405 6.064 1.00 0.00 C ATOM 897 CG LYS A 62 0.591 -3.412 6.918 1.00 0.00 C ATOM 898 CD LYS A 62 0.935 -3.262 8.390 1.00 0.00 C ATOM 899 CE LYS A 62 0.561 -4.507 9.180 1.00 0.00 C ATOM 900 NZ LYS A 62 0.350 -4.206 10.623 1.00 0.00 N ATOM 0 H LYS A 62 0.684 -1.077 3.721 1.00 0.00 H new ATOM 0 HA LYS A 62 2.379 -3.390 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.342 -2.266 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.837 -1.441 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.482 -3.279 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.833 -4.422 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.002 -3.069 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.412 -2.398 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.347 -4.942 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.349 -5.253 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.097 -5.080 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.224 -3.814 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.419 -3.513 10.724 1.00 0.00 H new ATOM 914 N VAL A 63 0.546 -4.977 3.982 1.00 0.00 N ATOM 915 CA VAL A 63 -0.498 -5.921 3.603 1.00 0.00 C ATOM 916 C VAL A 63 -0.604 -7.057 4.615 1.00 0.00 C ATOM 917 O VAL A 63 0.383 -7.726 4.918 1.00 0.00 O ATOM 918 CB VAL A 63 -0.238 -6.515 2.206 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.217 -7.643 1.915 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.327 -5.432 1.142 1.00 0.00 C ATOM 0 H VAL A 63 1.477 -5.386 4.059 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.436 -5.366 3.584 1.00 0.00 H new ATOM 0 HB VAL A 63 0.771 -6.928 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.018 -8.051 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.099 -8.429 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.236 -7.259 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.141 -5.869 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.322 -4.987 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.418 -4.662 1.343 1.00 0.00 H new ATOM 930 N SER A 64 -1.810 -7.270 5.133 1.00 0.00 N ATOM 931 CA SER A 64 -2.045 -8.323 6.114 1.00 0.00 C ATOM 932 C SER A 64 -3.493 -8.803 6.059 1.00 0.00 C ATOM 933 O SER A 64 -4.409 -8.018 5.817 1.00 0.00 O ATOM 934 CB SER A 64 -1.715 -7.822 7.521 1.00 0.00 C ATOM 935 OG SER A 64 -0.315 -7.699 7.703 1.00 0.00 O ATOM 0 H SER A 64 -2.639 -6.728 4.890 1.00 0.00 H new ATOM 0 HA SER A 64 -1.392 -9.162 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.193 -6.857 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.122 -8.511 8.261 1.00 0.00 H new ATOM 0 HG SER A 64 0.139 -7.834 6.845 1.00 0.00 H new ATOM 941 N ALA A 65 -3.689 -10.098 6.285 1.00 0.00 N ATOM 942 CA ALA A 65 -5.024 -10.683 6.263 1.00 0.00 C ATOM 943 C ALA A 65 -5.633 -10.711 7.661 1.00 0.00 C ATOM 944 O ALA A 65 -4.971 -11.038 8.646 1.00 0.00 O ATOM 945 CB ALA A 65 -4.976 -12.086 5.678 1.00 0.00 C ATOM 0 H ALA A 65 -2.941 -10.762 6.485 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.657 -10.060 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.980 -12.511 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.590 -12.043 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.324 -12.712 6.287 1.00 0.00 H new ATOM 951 N PRO A 66 -6.925 -10.361 7.752 1.00 0.00 N ATOM 952 CA PRO A 66 -7.652 -10.338 9.025 1.00 0.00 C ATOM 953 C PRO A 66 -7.891 -11.738 9.580 1.00 0.00 C ATOM 954 O PRO A 66 -7.932 -11.935 10.794 1.00 0.00 O ATOM 955 CB PRO A 66 -8.981 -9.672 8.662 1.00 0.00 C ATOM 956 CG PRO A 66 -9.158 -9.946 7.209 1.00 0.00 C ATOM 957 CD PRO A 66 -7.776 -9.960 6.618 1.00 0.00 C ATOM 0 HA PRO A 66 -7.096 -9.815 9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.803 -10.086 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.955 -8.601 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.660 -10.901 7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.775 -9.180 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.700 -10.664 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.494 -8.981 6.231 1.00 0.00 H new ATOM 965 N GLU A 67 -8.048 -12.707 8.684 1.00 0.00 N ATOM 966 CA GLU A 67 -8.283 -14.089 9.086 1.00 0.00 C ATOM 967 C GLU A 67 -6.971 -14.784 9.438 1.00 0.00 C ATOM 968 O GLU A 67 -6.703 -15.071 10.604 1.00 0.00 O ATOM 969 CB GLU A 67 -8.995 -14.854 7.969 1.00 0.00 C ATOM 970 CG GLU A 67 -9.660 -16.137 8.439 1.00 0.00 C ATOM 971 CD GLU A 67 -10.464 -15.947 9.710 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.582 -15.397 9.629 1.00 0.00 O ATOM 973 OE2 GLU A 67 -9.974 -16.348 10.787 1.00 0.00 O ATOM 0 H GLU A 67 -8.017 -12.561 7.675 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.918 -14.080 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.749 -14.207 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.274 -15.093 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.315 -16.511 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.897 -16.897 8.607 1.00 0.00 H new ATOM 980 N GLU A 68 -6.159 -15.052 8.420 1.00 0.00 N ATOM 981 CA GLU A 68 -4.876 -15.715 8.622 1.00 0.00 C ATOM 982 C GLU A 68 -4.025 -14.956 9.636 1.00 0.00 C ATOM 983 O GLU A 68 -3.785 -13.758 9.488 1.00 0.00 O ATOM 984 CB GLU A 68 -4.123 -15.833 7.295 1.00 0.00 C ATOM 985 CG GLU A 68 -4.608 -16.976 6.420 1.00 0.00 C ATOM 986 CD GLU A 68 -4.591 -18.310 7.141 1.00 0.00 C ATOM 987 OE1 GLU A 68 -3.521 -18.953 7.172 1.00 0.00 O ATOM 988 OE2 GLU A 68 -5.647 -18.711 7.673 1.00 0.00 O ATOM 0 H GLU A 68 -6.367 -14.821 7.449 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.070 -16.714 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.224 -14.897 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.061 -15.969 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.622 -16.764 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.981 -17.040 5.531 1.00 0.00 H new ATOM 995 N GLN A 69 -3.572 -15.663 10.667 1.00 0.00 N ATOM 996 CA GLN A 69 -2.749 -15.056 11.706 1.00 0.00 C ATOM 997 C GLN A 69 -1.374 -14.680 11.162 1.00 0.00 C ATOM 998 O GLN A 69 -0.983 -13.513 11.187 1.00 0.00 O ATOM 999 CB GLN A 69 -2.598 -16.012 12.890 1.00 0.00 C ATOM 1000 CG GLN A 69 -3.924 -16.476 13.470 1.00 0.00 C ATOM 1001 CD GLN A 69 -4.440 -15.554 14.557 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -4.005 -15.626 15.707 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -5.372 -14.679 14.198 1.00 0.00 N ATOM 0 H GLN A 69 -3.761 -16.656 10.805 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.247 -14.147 12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.025 -16.883 12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.021 -15.519 13.673 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.663 -16.539 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.807 -17.481 13.876 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.704 -14.654 13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.756 -14.032 14.886 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.645 -15.677 10.672 1.00 0.00 N ATOM 1013 CA PHE A 70 0.687 -15.451 10.123 1.00 0.00 C ATOM 1014 C PHE A 70 0.622 -15.219 8.616 1.00 0.00 C ATOM 1015 O PHE A 70 0.469 -16.160 7.837 1.00 0.00 O ATOM 1016 CB PHE A 70 1.596 -16.643 10.428 1.00 0.00 C ATOM 1017 CG PHE A 70 1.552 -17.079 11.864 1.00 0.00 C ATOM 1018 CD1 PHE A 70 1.872 -16.194 12.881 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.190 -18.374 12.198 1.00 0.00 C ATOM 1020 CE1 PHE A 70 1.832 -16.592 14.204 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.147 -18.778 13.520 1.00 0.00 C ATOM 1022 CZ PHE A 70 1.470 -17.886 14.524 1.00 0.00 C ATOM 0 H PHE A 70 -0.954 -16.649 10.644 1.00 0.00 H new ATOM 0 HA PHE A 70 1.100 -14.558 10.593 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.308 -17.481 9.793 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.622 -16.383 10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.156 -15.181 12.637 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.938 -19.076 11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.084 -15.892 14.987 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.861 -19.790 13.767 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.440 -18.200 15.557 1.00 0.00 H new ATOM 1032 N THR A 71 0.739 -13.957 8.212 1.00 0.00 N ATOM 1033 CA THR A 71 0.693 -13.600 6.800 1.00 0.00 C ATOM 1034 C THR A 71 2.084 -13.278 6.268 1.00 0.00 C ATOM 1035 O THR A 71 2.646 -12.225 6.571 1.00 0.00 O ATOM 1036 CB THR A 71 -0.230 -12.390 6.557 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.547 -12.673 7.044 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.294 -12.047 5.077 1.00 0.00 C ATOM 0 H THR A 71 0.866 -13.166 8.843 1.00 0.00 H new ATOM 0 HA THR A 71 0.295 -14.464 6.268 1.00 0.00 H new ATOM 0 HB THR A 71 0.180 -11.535 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.786 -12.023 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.951 -11.190 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.705 -11.804 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.682 -12.901 4.522 1.00 0.00 H new ATOM 1046 N ARG A 72 2.635 -14.190 5.474 1.00 0.00 N ATOM 1047 CA ARG A 72 3.962 -14.002 4.900 1.00 0.00 C ATOM 1048 C ARG A 72 3.870 -13.371 3.514 1.00 0.00 C ATOM 1049 O ARG A 72 3.530 -14.038 2.537 1.00 0.00 O ATOM 1050 CB ARG A 72 4.698 -15.340 4.815 1.00 0.00 C ATOM 1051 CG ARG A 72 6.142 -15.213 4.358 1.00 0.00 C ATOM 1052 CD ARG A 72 6.919 -16.497 4.604 1.00 0.00 C ATOM 1053 NE ARG A 72 6.756 -17.453 3.511 1.00 0.00 N ATOM 1054 CZ ARG A 72 5.746 -18.311 3.430 1.00 0.00 C ATOM 1055 NH1 ARG A 72 4.813 -18.333 4.372 1.00 0.00 N ATOM 1056 NH2 ARG A 72 5.667 -19.150 2.405 1.00 0.00 N ATOM 0 H ARG A 72 2.183 -15.067 5.213 1.00 0.00 H new ATOM 0 HA ARG A 72 4.520 -13.329 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.676 -15.820 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.164 -15.995 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.169 -14.968 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.621 -14.389 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.977 -16.263 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.583 -16.951 5.536 1.00 0.00 H new ATOM 0 HE ARG A 72 7.457 -17.462 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.870 -17.690 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.038 -18.993 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.383 -19.136 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.891 -19.809 2.344 1.00 0.00 H new ATOM 1070 N VAL A 73 4.176 -12.079 3.436 1.00 0.00 N ATOM 1071 CA VAL A 73 4.129 -11.357 2.170 1.00 0.00 C ATOM 1072 C VAL A 73 5.394 -10.533 1.960 1.00 0.00 C ATOM 1073 O VAL A 73 5.910 -9.920 2.893 1.00 0.00 O ATOM 1074 CB VAL A 73 2.905 -10.425 2.101 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.968 -9.552 0.856 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.617 -11.234 2.130 1.00 0.00 C ATOM 0 H VAL A 73 4.459 -11.511 4.235 1.00 0.00 H new ATOM 0 HA VAL A 73 4.052 -12.105 1.381 1.00 0.00 H new ATOM 0 HB VAL A 73 2.917 -9.773 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.095 -8.900 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.873 -8.945 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.981 -10.185 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.762 -10.559 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.594 -11.912 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.571 -11.811 3.053 1.00 0.00 H new ATOM 1086 N GLY A 74 5.889 -10.523 0.726 1.00 0.00 N ATOM 1087 CA GLY A 74 7.090 -9.771 0.415 1.00 0.00 C ATOM 1088 C GLY A 74 6.807 -8.557 -0.447 1.00 0.00 C ATOM 1089 O GLY A 74 6.913 -8.618 -1.672 1.00 0.00 O ATOM 0 H GLY A 74 5.480 -11.022 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.565 -9.451 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.799 -10.420 -0.099 1.00 0.00 H new ATOM 1093 N VAL A 75 6.444 -7.450 0.193 1.00 0.00 N ATOM 1094 CA VAL A 75 6.143 -6.216 -0.524 1.00 0.00 C ATOM 1095 C VAL A 75 7.408 -5.402 -0.771 1.00 0.00 C ATOM 1096 O VAL A 75 8.133 -5.065 0.165 1.00 0.00 O ATOM 1097 CB VAL A 75 5.132 -5.350 0.250 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.890 -4.035 -0.475 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.827 -6.106 0.450 1.00 0.00 C ATOM 0 H VAL A 75 6.351 -7.382 1.207 1.00 0.00 H new ATOM 0 HA VAL A 75 5.707 -6.504 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 75 5.549 -5.125 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.173 -3.436 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.829 -3.489 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.494 -4.236 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.124 -5.479 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.403 -6.363 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.018 -7.018 1.016 1.00 0.00 H new ATOM 1109 N GLN A 76 7.667 -5.089 -2.036 1.00 0.00 N ATOM 1110 CA GLN A 76 8.845 -4.314 -2.406 1.00 0.00 C ATOM 1111 C GLN A 76 8.453 -3.073 -3.200 1.00 0.00 C ATOM 1112 O GLN A 76 7.589 -3.130 -4.075 1.00 0.00 O ATOM 1113 CB GLN A 76 9.811 -5.174 -3.224 1.00 0.00 C ATOM 1114 CG GLN A 76 11.196 -4.565 -3.366 1.00 0.00 C ATOM 1115 CD GLN A 76 11.838 -4.258 -2.027 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.229 -5.164 -1.291 1.00 0.00 O ATOM 1117 NE2 GLN A 76 11.950 -2.975 -1.705 1.00 0.00 N ATOM 0 H GLN A 76 7.077 -5.360 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 76 9.341 -3.994 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.900 -6.153 -2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.390 -5.334 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.835 -5.251 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.127 -3.648 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.612 -2.257 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.374 -2.707 -0.817 1.00 0.00 H new ATOM 1126 N VAL A 77 9.095 -1.950 -2.889 1.00 0.00 N ATOM 1127 CA VAL A 77 8.813 -0.694 -3.574 1.00 0.00 C ATOM 1128 C VAL A 77 9.883 -0.385 -4.615 1.00 0.00 C ATOM 1129 O VAL A 77 11.070 -0.300 -4.296 1.00 0.00 O ATOM 1130 CB VAL A 77 8.724 0.479 -2.581 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.576 0.267 -1.606 1.00 0.00 C ATOM 1132 CG2 VAL A 77 10.041 0.649 -1.838 1.00 0.00 C ATOM 0 H VAL A 77 9.813 -1.885 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 77 7.850 -0.813 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 77 8.529 1.393 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.529 1.106 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.638 0.199 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.737 -0.656 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.960 1.483 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.269 -0.264 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.839 0.850 -2.553 1.00 0.00 H new ATOM 1142 N LEU A 78 9.457 -0.215 -5.862 1.00 0.00 N ATOM 1143 CA LEU A 78 10.379 0.086 -6.952 1.00 0.00 C ATOM 1144 C LEU A 78 10.081 1.456 -7.553 1.00 0.00 C ATOM 1145 O LEU A 78 8.928 1.884 -7.608 1.00 0.00 O ATOM 1146 CB LEU A 78 10.288 -0.990 -8.035 1.00 0.00 C ATOM 1147 CG LEU A 78 11.226 -2.186 -7.872 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.668 -1.720 -7.741 1.00 0.00 C ATOM 1149 CD2 LEU A 78 10.822 -3.021 -6.666 1.00 0.00 C ATOM 0 H LEU A 78 8.479 -0.280 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 78 11.391 0.099 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.263 -1.359 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.489 -0.524 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 78 11.147 -2.809 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.321 -2.585 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.954 -1.166 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.764 -1.074 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.501 -3.868 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.871 -2.408 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.804 -3.386 -6.801 1.00 0.00 H new ATOM 1161 N ASP A 79 11.127 2.138 -8.005 1.00 0.00 N ATOM 1162 CA ASP A 79 10.978 3.458 -8.606 1.00 0.00 C ATOM 1163 C ASP A 79 10.952 3.362 -10.129 1.00 0.00 C ATOM 1164 O ASP A 79 11.961 3.046 -10.758 1.00 0.00 O ATOM 1165 CB ASP A 79 12.116 4.377 -8.161 1.00 0.00 C ATOM 1166 CG ASP A 79 12.184 5.653 -8.976 1.00 0.00 C ATOM 1167 OD1 ASP A 79 11.178 5.990 -9.636 1.00 0.00 O ATOM 1168 OD2 ASP A 79 13.242 6.316 -8.954 1.00 0.00 O ATOM 0 H ASP A 79 12.088 1.798 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 79 10.030 3.878 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.985 4.628 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.063 3.844 -8.246 1.00 0.00 H new ATOM 1173 N ARG A 80 9.790 3.636 -10.714 1.00 0.00 N ATOM 1174 CA ARG A 80 9.632 3.578 -12.162 1.00 0.00 C ATOM 1175 C ARG A 80 9.681 4.977 -12.771 1.00 0.00 C ATOM 1176 O ARG A 80 10.485 5.251 -13.661 1.00 0.00 O ATOM 1177 CB ARG A 80 8.311 2.898 -12.525 1.00 0.00 C ATOM 1178 CG ARG A 80 8.182 1.486 -11.977 1.00 0.00 C ATOM 1179 CD ARG A 80 7.257 0.638 -12.836 1.00 0.00 C ATOM 1180 NE ARG A 80 7.791 0.435 -14.180 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.044 0.097 -15.225 1.00 0.00 C ATOM 1182 NH1 ARG A 80 5.737 -0.075 -15.081 1.00 0.00 N ATOM 1183 NH2 ARG A 80 7.603 -0.069 -16.417 1.00 0.00 N ATOM 0 H ARG A 80 8.945 3.900 -10.207 1.00 0.00 H new ATOM 0 HA ARG A 80 10.457 2.994 -12.569 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.486 3.502 -12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.214 2.868 -13.610 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.167 1.021 -11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.800 1.524 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.103 -0.329 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.281 1.120 -12.903 1.00 0.00 H new ATOM 0 HE ARG A 80 8.793 0.560 -14.324 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.304 0.052 -14.166 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.165 -0.335 -15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.608 0.063 -16.532 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.028 -0.329 -17.218 1.00 0.00 H new ATOM 1197 N LYS A 81 8.814 5.859 -12.284 1.00 0.00 N ATOM 1198 CA LYS A 81 8.757 7.229 -12.778 1.00 0.00 C ATOM 1199 C LYS A 81 9.201 8.214 -11.702 1.00 0.00 C ATOM 1200 O LYS A 81 9.461 7.828 -10.562 1.00 0.00 O ATOM 1201 CB LYS A 81 7.338 7.568 -13.240 1.00 0.00 C ATOM 1202 CG LYS A 81 6.959 6.924 -14.562 1.00 0.00 C ATOM 1203 CD LYS A 81 7.484 7.724 -15.743 1.00 0.00 C ATOM 1204 CE LYS A 81 7.207 7.018 -17.062 1.00 0.00 C ATOM 1205 NZ LYS A 81 5.760 7.048 -17.414 1.00 0.00 N ATOM 0 H LYS A 81 8.141 5.649 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 81 9.438 7.312 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.630 7.250 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.244 8.650 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.358 5.910 -14.602 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.874 6.842 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.019 8.710 -15.752 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.557 7.879 -15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.784 7.492 -17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.544 5.983 -16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.613 6.557 -18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.212 6.573 -16.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.444 8.035 -17.500 1.00 0.00 H new ATOM 1219 N ASP A 82 9.285 9.488 -12.070 1.00 0.00 N ATOM 1220 CA ASP A 82 9.696 10.529 -11.135 1.00 0.00 C ATOM 1221 C ASP A 82 8.482 11.182 -10.482 1.00 0.00 C ATOM 1222 O ASP A 82 8.349 12.405 -10.479 1.00 0.00 O ATOM 1223 CB ASP A 82 10.535 11.587 -11.853 1.00 0.00 C ATOM 1224 CG ASP A 82 11.927 11.090 -12.191 1.00 0.00 C ATOM 1225 OD1 ASP A 82 12.685 10.767 -11.254 1.00 0.00 O ATOM 1226 OD2 ASP A 82 12.258 11.025 -13.394 1.00 0.00 O ATOM 0 H ASP A 82 9.074 9.825 -13.009 1.00 0.00 H new ATOM 0 HA ASP A 82 10.300 10.065 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.028 11.889 -12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.612 12.474 -11.224 1.00 0.00 H new ATOM 1231 N GLY A 83 7.597 10.357 -9.930 1.00 0.00 N ATOM 1232 CA GLY A 83 6.405 10.873 -9.283 1.00 0.00 C ATOM 1233 C GLY A 83 5.500 9.770 -8.770 1.00 0.00 C ATOM 1234 O GLY A 83 4.945 9.871 -7.676 1.00 0.00 O ATOM 0 H GLY A 83 7.685 9.341 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.696 11.516 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.852 11.494 -9.988 1.00 0.00 H new ATOM 1238 N SER A 84 5.350 8.713 -9.563 1.00 0.00 N ATOM 1239 CA SER A 84 4.502 7.589 -9.185 1.00 0.00 C ATOM 1240 C SER A 84 5.345 6.394 -8.751 1.00 0.00 C ATOM 1241 O SER A 84 6.447 6.181 -9.256 1.00 0.00 O ATOM 1242 CB SER A 84 3.596 7.191 -10.353 1.00 0.00 C ATOM 1243 OG SER A 84 2.504 6.406 -9.907 1.00 0.00 O ATOM 0 H SER A 84 5.805 8.612 -10.470 1.00 0.00 H new ATOM 0 HA SER A 84 3.883 7.900 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.225 8.087 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.172 6.632 -11.090 1.00 0.00 H new ATOM 0 HG SER A 84 1.752 6.508 -10.528 1.00 0.00 H new ATOM 1249 N PHE A 85 4.819 5.617 -7.810 1.00 0.00 N ATOM 1250 CA PHE A 85 5.522 4.444 -7.305 1.00 0.00 C ATOM 1251 C PHE A 85 4.712 3.175 -7.554 1.00 0.00 C ATOM 1252 O PHE A 85 3.482 3.209 -7.595 1.00 0.00 O ATOM 1253 CB PHE A 85 5.805 4.596 -5.810 1.00 0.00 C ATOM 1254 CG PHE A 85 6.734 5.732 -5.488 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.106 5.539 -5.472 1.00 0.00 C ATOM 1256 CD2 PHE A 85 6.235 6.992 -5.201 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.964 6.581 -5.177 1.00 0.00 C ATOM 1258 CE2 PHE A 85 7.088 8.039 -4.906 1.00 0.00 C ATOM 1259 CZ PHE A 85 8.454 7.833 -4.892 1.00 0.00 C ATOM 0 H PHE A 85 3.908 5.779 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 85 6.468 4.361 -7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.863 4.747 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.235 3.668 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.510 4.562 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.168 7.158 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.031 6.417 -5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.687 9.017 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.122 8.649 -4.659 1.00 0.00 H new ATOM 1269 N ILE A 86 5.411 2.057 -7.721 1.00 0.00 N ATOM 1270 CA ILE A 86 4.757 0.778 -7.966 1.00 0.00 C ATOM 1271 C ILE A 86 4.961 -0.177 -6.794 1.00 0.00 C ATOM 1272 O ILE A 86 6.053 -0.263 -6.232 1.00 0.00 O ATOM 1273 CB ILE A 86 5.283 0.113 -9.252 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.400 -1.076 -9.635 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.727 -0.330 -9.066 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.402 -1.377 -11.118 1.00 0.00 C ATOM 0 H ILE A 86 6.430 2.011 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 86 3.693 0.985 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 86 5.248 0.842 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.738 -1.959 -9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.377 -0.877 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.085 -0.798 -9.983 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.347 0.537 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.785 -1.046 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.755 -2.231 -11.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.035 -0.509 -11.666 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.417 -1.608 -11.441 1.00 0.00 H new ATOM 1288 N VAL A 87 3.902 -0.893 -6.430 1.00 0.00 N ATOM 1289 CA VAL A 87 3.965 -1.844 -5.327 1.00 0.00 C ATOM 1290 C VAL A 87 3.821 -3.277 -5.827 1.00 0.00 C ATOM 1291 O VAL A 87 2.817 -3.632 -6.447 1.00 0.00 O ATOM 1292 CB VAL A 87 2.869 -1.565 -4.282 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.925 -2.591 -3.161 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.006 -0.154 -3.731 1.00 0.00 C ATOM 0 H VAL A 87 2.990 -0.832 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 87 4.942 -1.722 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 87 1.898 -1.648 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.143 -2.377 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.774 -3.589 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.898 -2.544 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.224 0.026 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.982 -0.041 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.911 0.565 -4.545 1.00 0.00 H new ATOM 1304 N ARG A 88 4.830 -4.098 -5.555 1.00 0.00 N ATOM 1305 CA ARG A 88 4.817 -5.493 -5.978 1.00 0.00 C ATOM 1306 C ARG A 88 5.012 -6.425 -4.786 1.00 0.00 C ATOM 1307 O ARG A 88 5.866 -6.186 -3.931 1.00 0.00 O ATOM 1308 CB ARG A 88 5.909 -5.743 -7.019 1.00 0.00 C ATOM 1309 CG ARG A 88 5.643 -5.070 -8.356 1.00 0.00 C ATOM 1310 CD ARG A 88 6.872 -5.103 -9.251 1.00 0.00 C ATOM 1311 NE ARG A 88 7.274 -6.468 -9.578 1.00 0.00 N ATOM 1312 CZ ARG A 88 6.749 -7.169 -10.577 1.00 0.00 C ATOM 1313 NH1 ARG A 88 5.807 -6.636 -11.342 1.00 0.00 N ATOM 1314 NH2 ARG A 88 7.168 -8.406 -10.812 1.00 0.00 N ATOM 0 H ARG A 88 5.668 -3.821 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 88 3.845 -5.702 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.862 -5.387 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.010 -6.817 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.813 -5.569 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.340 -4.036 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.665 -4.556 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.696 -4.592 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 88 7.997 -6.907 -9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.483 -5.685 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.406 -7.177 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.893 -8.819 -10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.765 -8.944 -11.579 1.00 0.00 H new ATOM 1328 N TYR A 89 4.216 -7.486 -4.734 1.00 0.00 N ATOM 1329 CA TYR A 89 4.299 -8.453 -3.646 1.00 0.00 C ATOM 1330 C TYR A 89 3.849 -9.835 -4.108 1.00 0.00 C ATOM 1331 O TYR A 89 3.208 -9.975 -5.151 1.00 0.00 O ATOM 1332 CB TYR A 89 3.444 -7.995 -2.463 1.00 0.00 C ATOM 1333 CG TYR A 89 1.967 -7.920 -2.777 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.461 -6.919 -3.597 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.077 -8.850 -2.253 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.112 -6.846 -3.886 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.273 -8.786 -2.538 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.751 -7.782 -3.354 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.096 -7.714 -3.639 1.00 0.00 O ATOM 0 H TYR A 89 3.505 -7.699 -5.433 1.00 0.00 H new ATOM 0 HA TYR A 89 5.340 -8.518 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.595 -8.680 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.788 -7.014 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.134 -6.185 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.447 -9.636 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.265 -6.061 -4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.951 -9.518 -2.124 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.564 -8.447 -3.187 1.00 0.00 H new ATOM 1349 N ARG A 90 4.188 -10.854 -3.325 1.00 0.00 N ATOM 1350 CA ARG A 90 3.819 -12.225 -3.653 1.00 0.00 C ATOM 1351 C ARG A 90 2.896 -12.810 -2.588 1.00 0.00 C ATOM 1352 O ARG A 90 2.961 -12.430 -1.420 1.00 0.00 O ATOM 1353 CB ARG A 90 5.072 -13.093 -3.790 1.00 0.00 C ATOM 1354 CG ARG A 90 4.904 -14.258 -4.752 1.00 0.00 C ATOM 1355 CD ARG A 90 4.869 -13.786 -6.197 1.00 0.00 C ATOM 1356 NE ARG A 90 6.211 -13.613 -6.748 1.00 0.00 N ATOM 1357 CZ ARG A 90 6.450 -13.128 -7.962 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.443 -12.768 -8.746 1.00 0.00 N ATOM 1359 NH2 ARG A 90 7.698 -13.000 -8.392 1.00 0.00 N ATOM 0 H ARG A 90 4.718 -10.756 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 90 3.286 -12.214 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.900 -12.470 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.345 -13.480 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.724 -14.963 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.983 -14.793 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.319 -14.508 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.328 -12.842 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 90 7.008 -13.879 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.482 -12.863 -8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.629 -12.396 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.475 -13.274 -7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.881 -12.628 -9.324 1.00 0.00 H new ATOM 1373 N MET A 91 2.037 -13.736 -3.001 1.00 0.00 N ATOM 1374 CA MET A 91 1.101 -14.373 -2.083 1.00 0.00 C ATOM 1375 C MET A 91 1.234 -15.892 -2.137 1.00 0.00 C ATOM 1376 O MET A 91 1.285 -16.558 -1.103 1.00 0.00 O ATOM 1377 CB MET A 91 -0.335 -13.964 -2.417 1.00 0.00 C ATOM 1378 CG MET A 91 -1.338 -14.321 -1.333 1.00 0.00 C ATOM 1379 SD MET A 91 -1.062 -13.408 0.197 1.00 0.00 S ATOM 1380 CE MET A 91 -2.303 -14.143 1.259 1.00 0.00 C ATOM 0 H MET A 91 1.970 -14.062 -3.965 1.00 0.00 H new ATOM 0 HA MET A 91 1.340 -14.040 -1.073 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.367 -12.888 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.633 -14.445 -3.349 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.346 -14.119 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.281 -15.390 -1.129 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.922 -14.199 2.279 1.00 0.00 H new ATOM 0 HE2 MET A 91 -3.205 -13.532 1.242 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.538 -15.146 0.904 1.00 0.00 H new ATOM 1390 N TYR A 92 1.290 -16.433 -3.349 1.00 0.00 N ATOM 1391 CA TYR A 92 1.414 -17.874 -3.538 1.00 0.00 C ATOM 1392 C TYR A 92 0.602 -18.632 -2.493 1.00 0.00 C ATOM 1393 O TYR A 92 0.958 -19.743 -2.100 1.00 0.00 O ATOM 1394 CB TYR A 92 2.883 -18.294 -3.462 1.00 0.00 C ATOM 1395 CG TYR A 92 3.628 -17.684 -2.296 1.00 0.00 C ATOM 1396 CD1 TYR A 92 3.404 -18.124 -0.997 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.555 -16.668 -2.493 1.00 0.00 C ATOM 1398 CE1 TYR A 92 4.082 -17.570 0.071 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.238 -16.109 -1.431 1.00 0.00 C ATOM 1400 CZ TYR A 92 4.998 -16.563 -0.151 1.00 0.00 C ATOM 1401 OH TYR A 92 5.676 -16.008 0.911 1.00 0.00 O ATOM 0 H TYR A 92 1.252 -15.896 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 92 1.023 -18.121 -4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.938 -19.380 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.382 -18.011 -4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.688 -18.913 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.745 -16.309 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 92 3.896 -17.923 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.956 -15.321 -1.602 1.00 0.00 H new ATOM 0 HH TYR A 92 5.065 -15.445 1.431 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.492 -18.023 -2.047 1.00 0.00 N ATOM 1412 CA ALA A 93 -1.357 -18.641 -1.049 1.00 0.00 C ATOM 1413 C ALA A 93 -2.822 -18.307 -1.311 1.00 0.00 C ATOM 1414 O ALA A 93 -3.136 -17.287 -1.925 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.953 -18.195 0.348 1.00 0.00 C ATOM 0 H ALA A 93 -0.800 -17.103 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.240 -19.722 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.607 -18.664 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.079 -18.490 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.041 -17.111 0.423 1.00 0.00 H new ATOM 1421 N SER A 94 -3.714 -19.173 -0.842 1.00 0.00 N ATOM 1422 CA SER A 94 -5.146 -18.972 -1.029 1.00 0.00 C ATOM 1423 C SER A 94 -5.691 -17.968 -0.018 1.00 0.00 C ATOM 1424 O SER A 94 -5.789 -18.261 1.174 1.00 0.00 O ATOM 1425 CB SER A 94 -5.891 -20.302 -0.897 1.00 0.00 C ATOM 1426 OG SER A 94 -5.694 -21.114 -2.041 1.00 0.00 O ATOM 0 H SER A 94 -3.470 -20.021 -0.330 1.00 0.00 H new ATOM 0 HA SER A 94 -5.304 -18.573 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.544 -20.830 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.956 -20.114 -0.760 1.00 0.00 H new ATOM 0 HG SER A 94 -6.179 -21.958 -1.930 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.043 -16.782 -0.502 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.576 -15.733 0.358 1.00 0.00 C ATOM 1434 C TYR A 95 -7.969 -15.310 -0.097 1.00 0.00 C ATOM 1435 O TYR A 95 -8.209 -15.092 -1.284 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.639 -14.523 0.362 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.555 -13.818 -0.973 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.739 -14.304 -1.987 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -6.293 -12.667 -1.221 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -4.659 -13.663 -3.208 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.220 -12.020 -2.439 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.401 -12.521 -3.429 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.325 -11.881 -4.645 1.00 0.00 O ATOM 0 H TYR A 95 -5.969 -16.523 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.650 -16.131 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.978 -13.814 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.641 -14.848 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.157 -15.198 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.935 -12.271 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.019 -14.054 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.801 -11.127 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.615 -12.287 -5.185 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.886 -15.194 0.858 1.00 0.00 N ATOM 1454 CA LYS A 96 -10.256 -14.796 0.559 1.00 0.00 C ATOM 1455 C LYS A 96 -10.400 -13.277 0.589 1.00 0.00 C ATOM 1456 O LYS A 96 -11.122 -12.697 -0.220 1.00 0.00 O ATOM 1457 CB LYS A 96 -11.224 -15.430 1.561 1.00 0.00 C ATOM 1458 CG LYS A 96 -12.624 -15.634 1.009 1.00 0.00 C ATOM 1459 CD LYS A 96 -12.749 -16.962 0.282 1.00 0.00 C ATOM 1460 CE LYS A 96 -13.177 -18.076 1.226 1.00 0.00 C ATOM 1461 NZ LYS A 96 -12.030 -18.607 2.013 1.00 0.00 N ATOM 0 H LYS A 96 -8.705 -15.370 1.846 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.499 -15.147 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.825 -16.393 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.281 -14.799 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.347 -15.595 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.869 -14.820 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.475 -16.869 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.794 -17.219 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.942 -17.702 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.629 -18.885 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.247 -19.572 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.178 -18.623 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.863 -17.997 2.838 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.707 -12.640 1.527 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.757 -11.189 1.662 1.00 0.00 C ATOM 1477 C ASN A 97 -8.414 -10.639 2.133 1.00 0.00 C ATOM 1478 O ASN A 97 -7.744 -11.243 2.972 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.859 -10.785 2.643 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.842 -11.621 3.908 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -9.887 -11.575 4.684 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.902 -12.392 4.121 1.00 0.00 N ATOM 0 H ASN A 97 -9.104 -13.106 2.205 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.979 -10.766 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.741 -9.733 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.829 -10.886 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.947 -12.978 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.671 -12.399 3.451 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.027 -9.491 1.589 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.764 -8.859 1.954 1.00 0.00 C ATOM 1491 C LEU A 98 -6.985 -7.416 2.397 1.00 0.00 C ATOM 1492 O LEU A 98 -8.022 -6.818 2.108 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.792 -8.898 0.774 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.931 -10.156 0.655 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.166 -10.158 -0.660 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.972 -10.260 1.832 1.00 0.00 C ATOM 0 H LEU A 98 -8.569 -8.979 0.894 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.336 -9.415 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.365 -8.786 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.131 -8.035 0.845 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.589 -11.025 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.559 -11.061 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.871 -10.133 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.519 -9.282 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.368 -11.161 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.321 -9.386 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.540 -10.307 2.761 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.003 -6.861 3.099 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.088 -5.487 3.580 1.00 0.00 C ATOM 1510 C LYS A 99 -4.832 -4.704 3.212 1.00 0.00 C ATOM 1511 O LYS A 99 -3.714 -5.198 3.360 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.288 -5.467 5.097 1.00 0.00 C ATOM 1513 CG LYS A 99 -5.895 -4.151 5.745 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.604 -3.950 7.074 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.700 -5.251 7.857 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.830 -5.009 9.320 1.00 0.00 N ATOM 0 H LYS A 99 -5.139 -7.342 3.348 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.945 -5.013 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.335 -5.674 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.702 -6.271 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.816 -4.129 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.138 -3.327 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.068 -3.207 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.605 -3.555 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.558 -5.824 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.814 -5.856 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.893 -5.920 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.999 -4.485 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.689 -4.453 9.505 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.023 -3.479 2.733 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.906 -2.626 2.346 1.00 0.00 C ATOM 1532 C VAL A 100 -3.853 -1.366 3.204 1.00 0.00 C ATOM 1533 O VAL A 100 -4.880 -0.743 3.472 1.00 0.00 O ATOM 1534 CB VAL A 100 -3.996 -2.221 0.863 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.954 -1.162 0.534 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -3.831 -3.439 -0.033 1.00 0.00 C ATOM 0 H VAL A 100 -5.942 -3.055 2.604 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.996 -3.206 2.501 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.983 -1.795 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.033 -0.888 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.124 -0.280 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.958 -1.558 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.897 -3.134 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.859 -3.897 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.618 -4.160 0.185 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.650 -0.997 3.630 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.464 0.189 4.458 1.00 0.00 C ATOM 1548 C GLU A 101 -1.314 1.044 3.933 1.00 0.00 C ATOM 1549 O GLU A 101 -0.199 0.557 3.749 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.194 -0.212 5.910 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.456 -0.489 6.710 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.164 -0.858 8.151 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.104 -0.446 8.667 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.996 -1.560 8.763 1.00 0.00 O ATOM 0 H GLU A 101 -1.790 -1.502 3.416 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.381 0.777 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.564 -1.102 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.631 0.583 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.097 0.392 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.011 -1.299 6.237 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.596 2.321 3.695 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.586 3.244 3.192 1.00 0.00 C ATOM 1563 C ILE A 102 -0.436 4.450 4.113 1.00 0.00 C ATOM 1564 O ILE A 102 -1.317 5.308 4.180 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.929 3.735 1.773 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.419 2.570 0.911 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.282 4.400 1.136 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.909 2.329 1.011 1.00 0.00 C ATOM 0 H ILE A 102 -2.515 2.739 3.842 1.00 0.00 H new ATOM 0 HA ILE A 102 0.355 2.695 3.160 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.729 4.472 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.160 2.764 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.892 1.663 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.024 4.742 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.590 5.252 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.101 3.683 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.185 1.489 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.172 2.103 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.444 3.221 0.687 1.00 0.00 H new ATOM 1580 N LYS A 103 0.686 4.511 4.821 1.00 0.00 N ATOM 1581 CA LYS A 103 0.955 5.613 5.737 1.00 0.00 C ATOM 1582 C LYS A 103 2.241 6.338 5.354 1.00 0.00 C ATOM 1583 O LYS A 103 3.069 5.805 4.614 1.00 0.00 O ATOM 1584 CB LYS A 103 1.056 5.097 7.174 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.277 4.665 7.760 1.00 0.00 C ATOM 1586 CD LYS A 103 -0.099 3.992 9.111 1.00 0.00 C ATOM 1587 CE LYS A 103 0.132 2.496 8.962 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.567 2.177 8.727 1.00 0.00 N ATOM 0 H LYS A 103 1.425 3.809 4.778 1.00 0.00 H new ATOM 0 HA LYS A 103 0.127 6.319 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.746 4.253 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.484 5.878 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.927 5.533 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.773 3.979 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.745 4.441 9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.983 4.165 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.211 1.984 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.465 2.117 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.795 1.261 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.749 2.127 7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.161 2.919 9.148 1.00 0.00 H new ATOM 1602 N PHE A 104 2.404 7.554 5.863 1.00 0.00 N ATOM 1603 CA PHE A 104 3.591 8.351 5.574 1.00 0.00 C ATOM 1604 C PHE A 104 4.153 8.972 6.850 1.00 0.00 C ATOM 1605 O PHE A 104 3.675 10.008 7.310 1.00 0.00 O ATOM 1606 CB PHE A 104 3.259 9.450 4.563 1.00 0.00 C ATOM 1607 CG PHE A 104 4.139 10.662 4.684 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.407 10.672 4.127 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.697 11.791 5.355 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.219 11.785 4.236 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.504 12.907 5.467 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.767 12.904 4.908 1.00 0.00 C ATOM 0 H PHE A 104 1.729 8.010 6.478 1.00 0.00 H new ATOM 0 HA PHE A 104 4.347 7.691 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.349 9.045 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.220 9.751 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.766 9.799 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.711 11.799 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.205 11.780 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.147 13.781 5.991 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.400 13.775 4.996 1.00 0.00 H new ATOM 1622 N GLN A 105 5.169 8.329 7.415 1.00 0.00 N ATOM 1623 CA GLN A 105 5.796 8.816 8.638 1.00 0.00 C ATOM 1624 C GLN A 105 4.779 8.908 9.771 1.00 0.00 C ATOM 1625 O GLN A 105 4.923 9.721 10.684 1.00 0.00 O ATOM 1626 CB GLN A 105 6.435 10.185 8.398 1.00 0.00 C ATOM 1627 CG GLN A 105 7.435 10.197 7.253 1.00 0.00 C ATOM 1628 CD GLN A 105 8.763 9.572 7.632 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.988 9.218 8.789 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.652 9.434 6.655 1.00 0.00 N ATOM 0 H GLN A 105 5.576 7.470 7.046 1.00 0.00 H new ATOM 0 HA GLN A 105 6.571 8.107 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.650 10.912 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.936 10.508 9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.015 9.660 6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.600 11.225 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.423 9.742 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.564 9.020 6.850 1.00 0.00 H new ATOM 1639 N GLY A 106 3.749 8.070 9.705 1.00 0.00 N ATOM 1640 CA GLY A 106 2.722 8.074 10.731 1.00 0.00 C ATOM 1641 C GLY A 106 1.502 8.877 10.328 1.00 0.00 C ATOM 1642 O GLY A 106 0.757 9.356 11.182 1.00 0.00 O ATOM 0 H GLY A 106 3.607 7.388 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.423 7.048 10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.135 8.485 11.652 1.00 0.00 H new ATOM 1646 N GLN A 107 1.299 9.027 9.023 1.00 0.00 N ATOM 1647 CA GLN A 107 0.162 9.781 8.509 1.00 0.00 C ATOM 1648 C GLN A 107 -0.439 9.094 7.286 1.00 0.00 C ATOM 1649 O GLN A 107 0.208 8.981 6.245 1.00 0.00 O ATOM 1650 CB GLN A 107 0.587 11.206 8.151 1.00 0.00 C ATOM 1651 CG GLN A 107 1.114 11.999 9.335 1.00 0.00 C ATOM 1652 CD GLN A 107 1.749 13.312 8.922 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.075 14.338 8.825 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.054 13.287 8.676 1.00 0.00 N ATOM 0 H GLN A 107 1.907 8.637 8.303 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.597 9.822 9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.357 11.164 7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.265 11.733 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.296 12.197 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.848 11.398 9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.574 12.414 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.536 14.140 8.394 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.680 8.637 7.420 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.368 7.961 6.326 1.00 0.00 C ATOM 1665 C HIS A 108 -2.435 8.856 5.092 1.00 0.00 C ATOM 1666 O HIS A 108 -2.527 10.078 5.203 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.779 7.557 6.755 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.803 6.474 7.789 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.053 5.151 7.487 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.606 6.522 9.127 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.010 4.434 8.595 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.740 5.242 9.605 1.00 0.00 N ATOM 0 H HIS A 108 -2.230 8.722 8.275 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.803 7.064 6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.296 8.433 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.335 7.224 5.879 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -4.241 4.784 6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.385 7.403 9.710 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.169 3.368 8.664 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.388 8.238 3.916 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.444 8.978 2.661 1.00 0.00 C ATOM 1683 C VAL A 109 -3.777 8.760 1.954 1.00 0.00 C ATOM 1684 O VAL A 109 -4.363 9.696 1.410 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.300 8.565 1.715 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.363 9.363 0.421 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.047 8.747 2.398 1.00 0.00 C ATOM 0 H VAL A 109 -2.311 7.227 3.806 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.337 10.034 2.910 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.418 7.510 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.547 9.058 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.316 9.178 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.271 10.426 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.844 8.451 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.176 9.793 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.087 8.127 3.294 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.251 7.519 1.965 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.517 7.178 1.327 1.00 0.00 C ATOM 1699 C ALA A 110 -6.553 6.746 2.359 1.00 0.00 C ATOM 1700 O ALA A 110 -6.322 6.843 3.564 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.308 6.081 0.294 1.00 0.00 C ATOM 0 H ALA A 110 -3.777 6.732 2.409 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.894 8.068 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.261 5.836 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.608 6.426 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.905 5.194 0.782 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.696 6.268 1.878 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.769 5.820 2.758 1.00 0.00 C ATOM 1709 C LYS A 111 -8.434 4.467 3.379 1.00 0.00 C ATOM 1710 O LYS A 111 -9.264 3.558 3.393 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.085 5.726 1.984 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.882 7.020 1.980 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.540 7.273 3.326 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.924 6.646 3.397 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.796 7.098 2.278 1.00 0.00 N ATOM 0 H LYS A 111 -7.903 6.181 0.883 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.877 6.551 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.872 5.437 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.696 4.934 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.224 7.853 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.645 6.976 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.914 6.866 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.617 8.347 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.833 5.560 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.391 6.903 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.751 7.294 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.401 7.963 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.846 6.353 1.554 1.00 0.00 H new ATOM 1729 N SER A 112 -7.214 4.342 3.892 1.00 0.00 N ATOM 1730 CA SER A 112 -6.769 3.099 4.512 1.00 0.00 C ATOM 1731 C SER A 112 -7.144 3.066 5.991 1.00 0.00 C ATOM 1732 O SER A 112 -7.340 4.099 6.631 1.00 0.00 O ATOM 1733 CB SER A 112 -5.256 2.939 4.353 1.00 0.00 C ATOM 1734 OG SER A 112 -4.570 3.408 5.501 1.00 0.00 O ATOM 0 H SER A 112 -6.516 5.086 3.891 1.00 0.00 H new ATOM 0 HA SER A 112 -7.269 2.271 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.014 1.890 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.919 3.489 3.474 1.00 0.00 H new ATOM 0 HG SER A 112 -3.626 3.151 5.446 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.244 1.850 6.547 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.013 0.613 5.794 1.00 0.00 C ATOM 1742 C PRO A 113 -8.110 0.343 4.771 1.00 0.00 C ATOM 1743 O PRO A 113 -9.141 1.017 4.759 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.015 -0.468 6.878 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.837 0.104 7.982 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.593 1.588 7.954 1.00 0.00 C ATOM 0 HA PRO A 113 -6.090 0.655 5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.443 -1.399 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.003 -0.694 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.894 -0.120 7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.549 -0.321 8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.478 2.147 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.786 1.875 8.628 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.883 -0.645 3.913 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.852 -1.003 2.884 1.00 0.00 C ATOM 1756 C TYR A 114 -9.348 -2.432 3.076 1.00 0.00 C ATOM 1757 O TYR A 114 -8.554 -3.364 3.208 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.232 -0.848 1.494 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.251 0.573 0.978 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.368 1.081 0.327 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.151 1.406 1.139 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.389 2.379 -0.148 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.164 2.705 0.670 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.285 3.187 0.026 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.302 4.480 -0.444 1.00 0.00 O ATOM 0 H TYR A 114 -7.036 -1.213 3.910 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.703 -0.328 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.201 -1.201 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.768 -1.488 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.235 0.451 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.270 1.031 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.265 2.758 -0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.301 3.340 0.807 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.165 4.661 -0.871 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.667 -2.597 3.089 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.270 -3.913 3.263 1.00 0.00 C ATOM 1777 C ILE A 115 -11.845 -4.432 1.950 1.00 0.00 C ATOM 1778 O ILE A 115 -12.768 -3.841 1.387 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.386 -3.885 4.324 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.989 -2.977 5.489 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.681 -5.293 4.819 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.586 -3.224 5.998 1.00 0.00 C ATOM 0 H ILE A 115 -11.338 -1.836 2.981 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.477 -4.581 3.599 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.291 -3.484 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.074 -1.937 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.694 -3.121 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.472 -5.257 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.002 -5.913 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.781 -5.719 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.374 -2.545 6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.501 -4.254 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.871 -3.052 5.193 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.295 -5.541 1.466 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.755 -6.141 0.219 1.00 0.00 C ATOM 1796 C LEU A 116 -12.155 -7.598 0.431 1.00 0.00 C ATOM 1797 O LEU A 116 -11.307 -8.459 0.664 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.661 -6.051 -0.847 1.00 0.00 C ATOM 1799 CG LEU A 116 -9.861 -4.749 -0.879 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.465 -4.994 -1.431 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.586 -3.697 -1.705 1.00 0.00 C ATOM 0 H LEU A 116 -10.530 -6.042 1.918 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.631 -5.588 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.966 -6.877 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.121 -6.195 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.766 -4.378 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.910 -4.056 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.945 -5.713 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.539 -5.389 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.002 -2.777 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.713 -4.059 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.564 -3.500 -1.266 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.454 -7.867 0.348 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.968 -9.220 0.527 1.00 0.00 C ATOM 1815 C LYS A 117 -14.387 -9.824 -0.809 1.00 0.00 C ATOM 1816 O LYS A 117 -14.680 -11.016 -0.898 1.00 0.00 O ATOM 1817 CB LYS A 117 -15.158 -9.212 1.490 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.253 -8.236 1.096 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.027 -6.865 1.710 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.685 -6.751 3.077 1.00 0.00 C ATOM 1821 NZ LYS A 117 -18.141 -6.454 2.968 1.00 0.00 N ATOM 0 H LYS A 117 -14.170 -7.166 0.158 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.171 -9.832 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.579 -10.216 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.804 -8.963 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.289 -8.148 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.220 -8.624 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.957 -6.679 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.427 -6.098 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.544 -7.682 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.196 -5.964 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.553 -6.384 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.275 -5.553 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.613 -7.217 2.442 1.00 0.00 H new ATOM 1835 N GLY A 118 -14.410 -8.994 -1.848 1.00 0.00 N ATOM 1836 CA GLY A 118 -14.792 -9.466 -3.166 1.00 0.00 C ATOM 1837 C GLY A 118 -16.277 -9.753 -3.271 1.00 0.00 C ATOM 1838 O GLY A 118 -16.836 -10.477 -2.448 1.00 0.00 O ATOM 0 H GLY A 118 -14.171 -8.004 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.516 -8.719 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.233 -10.372 -3.401 1.00 0.00 H new ATOM 1842 N SER A 119 -16.918 -9.182 -4.286 1.00 0.00 N ATOM 1843 CA SER A 119 -18.348 -9.375 -4.493 1.00 0.00 C ATOM 1844 C SER A 119 -18.711 -9.212 -5.965 1.00 0.00 C ATOM 1845 O SER A 119 -18.097 -8.425 -6.684 1.00 0.00 O ATOM 1846 CB SER A 119 -19.146 -8.382 -3.646 1.00 0.00 C ATOM 1847 OG SER A 119 -19.181 -7.104 -4.256 1.00 0.00 O ATOM 0 H SER A 119 -16.469 -8.582 -4.978 1.00 0.00 H new ATOM 0 HA SER A 119 -18.601 -10.390 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 119 -20.162 -8.751 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 119 -18.699 -8.303 -2.655 1.00 0.00 H new ATOM 0 HG SER A 119 -19.698 -6.488 -3.696 1.00 0.00 H new ATOM 1853 N GLY A 120 -19.716 -9.962 -6.408 1.00 0.00 N ATOM 1854 CA GLY A 120 -20.144 -9.887 -7.792 1.00 0.00 C ATOM 1855 C GLY A 120 -21.653 -9.916 -7.934 1.00 0.00 C ATOM 1856 O GLY A 120 -22.255 -10.962 -8.176 1.00 0.00 O ATOM 0 H GLY A 120 -20.241 -10.620 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -19.757 -8.971 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -19.714 -10.720 -8.348 1.00 0.00 H new ATOM 1860 N PRO A 121 -22.288 -8.744 -7.781 1.00 0.00 N ATOM 1861 CA PRO A 121 -23.744 -8.613 -7.889 1.00 0.00 C ATOM 1862 C PRO A 121 -24.240 -8.807 -9.318 1.00 0.00 C ATOM 1863 O PRO A 121 -24.237 -7.872 -10.118 1.00 0.00 O ATOM 1864 CB PRO A 121 -24.007 -7.180 -7.422 1.00 0.00 C ATOM 1865 CG PRO A 121 -22.735 -6.453 -7.694 1.00 0.00 C ATOM 1866 CD PRO A 121 -21.634 -7.457 -7.492 1.00 0.00 C ATOM 0 HA PRO A 121 -24.265 -9.370 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -24.841 -6.734 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -24.262 -7.149 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -22.721 -6.057 -8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -22.618 -5.605 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -20.795 -7.273 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -21.242 -7.425 -6.475 1.00 0.00 H new ATOM 1874 N SER A 122 -24.665 -10.027 -9.632 1.00 0.00 N ATOM 1875 CA SER A 122 -25.161 -10.344 -10.966 1.00 0.00 C ATOM 1876 C SER A 122 -25.944 -11.653 -10.957 1.00 0.00 C ATOM 1877 O SER A 122 -26.084 -12.299 -9.919 1.00 0.00 O ATOM 1878 CB SER A 122 -23.998 -10.439 -11.956 1.00 0.00 C ATOM 1879 OG SER A 122 -24.450 -10.285 -13.290 1.00 0.00 O ATOM 0 H SER A 122 -24.676 -10.812 -8.981 1.00 0.00 H new ATOM 0 HA SER A 122 -25.830 -9.542 -11.278 1.00 0.00 H new ATOM 0 HB2 SER A 122 -23.259 -9.671 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 122 -23.501 -11.403 -11.846 1.00 0.00 H new ATOM 0 HG SER A 122 -23.688 -10.348 -13.903 1.00 0.00 H new ATOM 1885 N SER A 123 -26.454 -12.038 -12.123 1.00 0.00 N ATOM 1886 CA SER A 123 -27.228 -13.267 -12.251 1.00 0.00 C ATOM 1887 C SER A 123 -26.320 -14.491 -12.174 1.00 0.00 C ATOM 1888 O SER A 123 -25.200 -14.479 -12.684 1.00 0.00 O ATOM 1889 CB SER A 123 -28.001 -13.273 -13.571 1.00 0.00 C ATOM 1890 OG SER A 123 -28.904 -12.183 -13.638 1.00 0.00 O ATOM 0 H SER A 123 -26.345 -11.516 -12.993 1.00 0.00 H new ATOM 0 HA SER A 123 -27.936 -13.309 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 123 -27.302 -13.222 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 123 -28.549 -14.210 -13.671 1.00 0.00 H new ATOM 0 HG SER A 123 -29.385 -12.208 -14.492 1.00 0.00 H new ATOM 1896 N GLY A 124 -26.812 -15.546 -11.533 1.00 0.00 N ATOM 1897 CA GLY A 124 -26.033 -16.764 -11.401 1.00 0.00 C ATOM 1898 C GLY A 124 -25.555 -16.995 -9.981 1.00 0.00 C ATOM 1899 O GLY A 124 -24.411 -17.394 -9.761 1.00 0.00 O ATOM 0 H GLY A 124 -27.736 -15.580 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -26.636 -17.614 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -25.172 -16.715 -12.068 1.00 0.00 H new TER 1903 GLY A 124