USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 851 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 48 GLN :FLIP amide:sc= -2.37! C(o=-5.1!,f=-1.7!) USER MOD Set 1.2: A 68 SER OG : rot 162:sc= 0.651 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.0643 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 4 HIS : no HD1:sc= -0.115 X(o=-0.18,f=-0.25) USER MOD Set 3.2: A 5 HIS : no HD1:sc= -0.0622 X(o=-0.18,f=-0.064) USER MOD Single : A 1 ARG N :NH3+ -117:sc= -0.11 (180deg=-0.127) USER MOD Single : A 3 SER OG : rot 109:sc= 0.558 USER MOD Single : A 6 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.7!) USER MOD Single : A 7 HIS : no HD1:sc= -5.6! C(o=-5.6!,f=-9.1!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 9 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0482 K(o=-0.048,f=-2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 20 GLN : amide:sc= -0.325 K(o=-0.32,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -14:sc= -3.45! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.757 (180deg=-1.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -2.78! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 17:sc= 0.655 USER MOD Single : A 49 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0395) USER MOD Single : A 62 ASN : amide:sc= -0.0927 K(o=-0.093,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00926 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.2) USER MOD Single : A 81 MET CE :methyl -131:sc= -1.06 (180deg=-2.97!) USER MOD Single : A 82 SER OG : rot 110:sc= -4.69! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 150:sc= -0.547 (180deg=-2.57!) USER MOD Single : A 88 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.077) USER MOD Single : A 96 THR OG1 : rot 180:sc= -2.7! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0271 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -24.552 0.527 -5.374 1.00 0.00 N ATOM 2 CA ARG A 1 -24.727 0.659 -3.900 1.00 0.00 C ATOM 3 C ARG A 1 -24.119 1.982 -3.430 1.00 0.00 C ATOM 4 O ARG A 1 -23.381 2.030 -2.466 1.00 0.00 O ATOM 5 CB ARG A 1 -24.023 -0.504 -3.197 1.00 0.00 C ATOM 6 CG ARG A 1 -24.764 -1.807 -3.499 1.00 0.00 C ATOM 7 CD ARG A 1 -24.181 -2.934 -2.645 1.00 0.00 C ATOM 8 NE ARG A 1 -22.708 -3.004 -2.855 1.00 0.00 N ATOM 9 CZ ARG A 1 -22.099 -4.159 -2.834 1.00 0.00 C ATOM 10 NH1 ARG A 1 -22.365 -5.053 -3.746 1.00 0.00 N ATOM 11 NH2 ARG A 1 -21.225 -4.417 -1.900 1.00 0.00 N ATOM 0 H1 ARG A 1 -25.485 0.500 -5.833 1.00 0.00 H new ATOM 0 H2 ARG A 1 -24.013 1.340 -5.734 1.00 0.00 H new ATOM 0 H3 ARG A 1 -24.036 -0.351 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 1 -25.790 0.641 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -22.989 -0.575 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -23.996 -0.330 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -25.827 -1.690 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -24.673 -2.053 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -24.401 -2.758 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -24.643 -3.884 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 1 -22.175 -2.149 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -23.049 -4.850 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -21.889 -5.955 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -21.018 -3.717 -1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -20.749 -5.319 -1.882 1.00 0.00 H new ATOM 27 N GLY A 2 -24.423 3.058 -4.104 1.00 0.00 N ATOM 28 CA GLY A 2 -23.862 4.376 -3.694 1.00 0.00 C ATOM 29 C GLY A 2 -22.549 4.622 -4.440 1.00 0.00 C ATOM 30 O GLY A 2 -22.331 5.677 -5.001 1.00 0.00 O ATOM 0 H GLY A 2 -25.035 3.081 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -24.574 5.172 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -23.690 4.392 -2.618 1.00 0.00 H new ATOM 34 N SER A 3 -21.672 3.655 -4.451 1.00 0.00 N ATOM 35 CA SER A 3 -20.375 3.834 -5.162 1.00 0.00 C ATOM 36 C SER A 3 -20.170 2.681 -6.147 1.00 0.00 C ATOM 37 O SER A 3 -20.324 1.526 -5.805 1.00 0.00 O ATOM 38 CB SER A 3 -19.233 3.847 -4.144 1.00 0.00 C ATOM 39 OG SER A 3 -19.176 2.591 -3.482 1.00 0.00 O ATOM 0 H SER A 3 -21.798 2.750 -3.999 1.00 0.00 H new ATOM 0 HA SER A 3 -20.386 4.778 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.287 4.049 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.387 4.646 -3.419 1.00 0.00 H new ATOM 0 HG SER A 3 -18.382 2.100 -3.779 1.00 0.00 H new ATOM 45 N HIS A 4 -19.825 2.986 -7.368 1.00 0.00 N ATOM 46 CA HIS A 4 -19.612 1.909 -8.373 1.00 0.00 C ATOM 47 C HIS A 4 -18.556 0.928 -7.857 1.00 0.00 C ATOM 48 O HIS A 4 -18.705 -0.273 -7.966 1.00 0.00 O ATOM 49 CB HIS A 4 -19.133 2.527 -9.688 1.00 0.00 C ATOM 50 CG HIS A 4 -19.619 1.694 -10.842 1.00 0.00 C ATOM 51 ND1 HIS A 4 -20.968 1.526 -11.116 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.950 0.976 -11.802 1.00 0.00 C ATOM 53 CE1 HIS A 4 -21.066 0.736 -12.200 1.00 0.00 C ATOM 54 NE2 HIS A 4 -19.865 0.372 -12.659 1.00 0.00 N ATOM 0 H HIS A 4 -19.682 3.935 -7.712 1.00 0.00 H new ATOM 0 HA HIS A 4 -20.549 1.378 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -19.506 3.547 -9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.045 2.584 -9.700 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.876 0.893 -11.880 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -22.002 0.433 -12.645 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -19.663 -0.221 -13.464 1.00 0.00 H new ATOM 62 N HIS A 5 -17.489 1.431 -7.297 1.00 0.00 N ATOM 63 CA HIS A 5 -16.426 0.527 -6.775 1.00 0.00 C ATOM 64 C HIS A 5 -16.142 0.864 -5.311 1.00 0.00 C ATOM 65 O HIS A 5 -16.679 1.807 -4.765 1.00 0.00 O ATOM 66 CB HIS A 5 -15.150 0.715 -7.597 1.00 0.00 C ATOM 67 CG HIS A 5 -15.266 -0.045 -8.889 1.00 0.00 C ATOM 68 ND1 HIS A 5 -15.840 0.508 -10.023 1.00 0.00 N ATOM 69 CD2 HIS A 5 -14.884 -1.315 -9.244 1.00 0.00 C ATOM 70 CE1 HIS A 5 -15.788 -0.418 -10.997 1.00 0.00 C ATOM 71 NE2 HIS A 5 -15.215 -1.549 -10.576 1.00 0.00 N ATOM 0 H HIS A 5 -17.308 2.428 -7.179 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.760 -0.508 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.988 1.774 -7.799 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.287 0.363 -7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -14.400 -2.025 -8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.164 -0.266 -11.998 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -15.055 -2.400 -11.114 1.00 0.00 H new ATOM 79 N HIS A 6 -15.300 0.100 -4.670 1.00 0.00 N ATOM 80 CA HIS A 6 -14.980 0.378 -3.242 1.00 0.00 C ATOM 81 C HIS A 6 -13.870 1.428 -3.164 1.00 0.00 C ATOM 82 O HIS A 6 -13.630 2.018 -2.131 1.00 0.00 O ATOM 83 CB HIS A 6 -14.508 -0.912 -2.565 1.00 0.00 C ATOM 84 CG HIS A 6 -14.169 -0.627 -1.127 1.00 0.00 C ATOM 85 ND1 HIS A 6 -12.934 -0.131 -0.743 1.00 0.00 N ATOM 86 CD2 HIS A 6 -14.895 -0.765 0.031 1.00 0.00 C ATOM 87 CE1 HIS A 6 -12.952 0.013 0.595 1.00 0.00 C ATOM 88 NE2 HIS A 6 -14.124 -0.359 1.117 1.00 0.00 N ATOM 0 H HIS A 6 -14.820 -0.704 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.870 0.751 -2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.287 -1.672 -2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.636 -1.310 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.909 -1.132 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.120 0.384 1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.396 -0.348 2.100 1.00 0.00 H new ATOM 96 N HIS A 7 -13.191 1.665 -4.254 1.00 0.00 N ATOM 97 CA HIS A 7 -12.097 2.677 -4.245 1.00 0.00 C ATOM 98 C HIS A 7 -12.653 4.027 -3.786 1.00 0.00 C ATOM 99 O HIS A 7 -13.567 4.567 -4.376 1.00 0.00 O ATOM 100 CB HIS A 7 -11.518 2.815 -5.655 1.00 0.00 C ATOM 101 CG HIS A 7 -12.514 3.506 -6.546 1.00 0.00 C ATOM 102 ND1 HIS A 7 -13.872 3.239 -6.484 1.00 0.00 N ATOM 103 CD2 HIS A 7 -12.363 4.455 -7.527 1.00 0.00 C ATOM 104 CE1 HIS A 7 -14.480 4.012 -7.403 1.00 0.00 C ATOM 105 NE2 HIS A 7 -13.605 4.773 -8.068 1.00 0.00 N ATOM 0 H HIS A 7 -13.347 1.202 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.312 2.357 -3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.588 3.383 -5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.276 1.831 -6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.422 4.889 -7.832 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.545 4.017 -7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.805 5.442 -8.811 1.00 0.00 H new ATOM 113 N HIS A 8 -12.108 4.575 -2.734 1.00 0.00 N ATOM 114 CA HIS A 8 -12.605 5.889 -2.236 1.00 0.00 C ATOM 115 C HIS A 8 -11.819 7.019 -2.905 1.00 0.00 C ATOM 116 O HIS A 8 -12.170 8.177 -2.800 1.00 0.00 O ATOM 117 CB HIS A 8 -12.413 5.964 -0.719 1.00 0.00 C ATOM 118 CG HIS A 8 -13.262 4.915 -0.053 1.00 0.00 C ATOM 119 ND1 HIS A 8 -14.635 4.857 -0.226 1.00 0.00 N ATOM 120 CD2 HIS A 8 -12.945 3.878 0.789 1.00 0.00 C ATOM 121 CE1 HIS A 8 -15.091 3.818 0.497 1.00 0.00 C ATOM 122 NE2 HIS A 8 -14.102 3.187 1.136 1.00 0.00 N ATOM 0 H HIS A 8 -11.340 4.170 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.663 5.992 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -11.364 5.812 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.688 6.954 -0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.949 3.635 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.130 3.529 0.554 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.178 2.374 1.747 1.00 0.00 H new ATOM 130 N HIS A 9 -10.760 6.691 -3.593 1.00 0.00 N ATOM 131 CA HIS A 9 -9.955 7.747 -4.268 1.00 0.00 C ATOM 132 C HIS A 9 -10.860 8.574 -5.183 1.00 0.00 C ATOM 133 O HIS A 9 -12.070 8.493 -5.114 1.00 0.00 O ATOM 134 CB HIS A 9 -8.850 7.092 -5.101 1.00 0.00 C ATOM 135 CG HIS A 9 -7.530 7.736 -4.780 1.00 0.00 C ATOM 136 ND1 HIS A 9 -6.388 6.993 -4.524 1.00 0.00 N ATOM 137 CD2 HIS A 9 -7.153 9.052 -4.671 1.00 0.00 C ATOM 138 CE1 HIS A 9 -5.388 7.858 -4.276 1.00 0.00 C ATOM 139 NE2 HIS A 9 -5.799 9.127 -4.353 1.00 0.00 N ATOM 0 H HIS A 9 -10.418 5.738 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.507 8.397 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.806 6.024 -4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.070 7.198 -6.163 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.807 9.900 -4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.376 7.563 -4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.241 9.969 -4.210 1.00 0.00 H new ATOM 147 N GLY A 10 -10.283 9.369 -6.043 1.00 0.00 N ATOM 148 CA GLY A 10 -11.112 10.199 -6.963 1.00 0.00 C ATOM 149 C GLY A 10 -11.262 11.608 -6.385 1.00 0.00 C ATOM 150 O GLY A 10 -11.906 12.460 -6.964 1.00 0.00 O ATOM 0 H GLY A 10 -9.274 9.479 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.646 10.246 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.093 9.743 -7.097 1.00 0.00 H new ATOM 154 N SER A 11 -10.673 11.861 -5.249 1.00 0.00 N ATOM 155 CA SER A 11 -10.785 13.215 -4.638 1.00 0.00 C ATOM 156 C SER A 11 -9.588 14.068 -5.065 1.00 0.00 C ATOM 157 O SER A 11 -9.275 15.067 -4.449 1.00 0.00 O ATOM 158 CB SER A 11 -10.802 13.087 -3.113 1.00 0.00 C ATOM 159 OG SER A 11 -12.112 12.745 -2.682 1.00 0.00 O ATOM 0 H SER A 11 -10.119 11.189 -4.718 1.00 0.00 H new ATOM 0 HA SER A 11 -11.707 13.689 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.092 12.325 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.490 14.026 -2.655 1.00 0.00 H new ATOM 0 HG SER A 11 -12.124 12.661 -1.706 1.00 0.00 H new ATOM 165 N ALA A 12 -8.917 13.680 -6.115 1.00 0.00 N ATOM 166 CA ALA A 12 -7.740 14.469 -6.579 1.00 0.00 C ATOM 167 C ALA A 12 -8.216 15.640 -7.443 1.00 0.00 C ATOM 168 O ALA A 12 -9.225 15.559 -8.114 1.00 0.00 O ATOM 169 CB ALA A 12 -6.818 13.570 -7.404 1.00 0.00 C ATOM 0 H ALA A 12 -9.132 12.852 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.198 14.853 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.957 14.146 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.477 12.736 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.361 13.186 -8.267 1.00 0.00 H new ATOM 175 N VAL A 13 -7.498 16.729 -7.426 1.00 0.00 N ATOM 176 CA VAL A 13 -7.907 17.906 -8.244 1.00 0.00 C ATOM 177 C VAL A 13 -6.733 18.356 -9.114 1.00 0.00 C ATOM 178 O VAL A 13 -5.604 18.416 -8.667 1.00 0.00 O ATOM 179 CB VAL A 13 -8.320 19.050 -7.315 1.00 0.00 C ATOM 180 CG1 VAL A 13 -9.093 20.101 -8.112 1.00 0.00 C ATOM 181 CG2 VAL A 13 -9.207 18.504 -6.196 1.00 0.00 C ATOM 0 H VAL A 13 -6.645 16.855 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.747 17.632 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.429 19.505 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.387 20.916 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.460 20.491 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.984 19.646 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.501 19.319 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.098 18.048 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.655 17.756 -5.627 1.00 0.00 H new ATOM 191 N GLN A 14 -6.987 18.676 -10.354 1.00 0.00 N ATOM 192 CA GLN A 14 -5.879 19.123 -11.246 1.00 0.00 C ATOM 193 C GLN A 14 -6.000 20.630 -11.481 1.00 0.00 C ATOM 194 O GLN A 14 -6.999 21.113 -11.977 1.00 0.00 O ATOM 195 CB GLN A 14 -5.964 18.384 -12.582 1.00 0.00 C ATOM 196 CG GLN A 14 -5.640 16.904 -12.369 1.00 0.00 C ATOM 197 CD GLN A 14 -6.056 16.108 -13.609 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.643 16.651 -14.524 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.773 14.836 -13.677 1.00 0.00 N ATOM 0 H GLN A 14 -7.910 18.647 -10.787 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.920 18.902 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.962 18.491 -13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.266 18.821 -13.296 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.574 16.777 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.164 16.529 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.280 14.381 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.045 14.296 -14.499 1.00 0.00 H new ATOM 208 N VAL A 15 -4.994 21.377 -11.123 1.00 0.00 N ATOM 209 CA VAL A 15 -5.051 22.852 -11.317 1.00 0.00 C ATOM 210 C VAL A 15 -3.787 23.328 -12.033 1.00 0.00 C ATOM 211 O VAL A 15 -2.702 22.848 -11.777 1.00 0.00 O ATOM 212 CB VAL A 15 -5.135 23.526 -9.952 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.830 23.294 -9.197 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.368 25.027 -10.130 1.00 0.00 C ATOM 0 H VAL A 15 -4.132 21.029 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.924 23.108 -11.918 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.965 23.102 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.885 23.774 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.670 22.224 -9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.001 23.718 -9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.427 25.504 -9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.542 25.459 -10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.301 25.189 -10.670 1.00 0.00 H new ATOM 224 N THR A 16 -3.912 24.274 -12.924 1.00 0.00 N ATOM 225 CA THR A 16 -2.711 24.779 -13.646 1.00 0.00 C ATOM 226 C THR A 16 -2.816 26.297 -13.812 1.00 0.00 C ATOM 227 O THR A 16 -3.887 26.837 -14.008 1.00 0.00 O ATOM 228 CB THR A 16 -2.625 24.119 -15.024 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.735 24.526 -15.812 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.639 22.597 -14.865 1.00 0.00 C ATOM 0 H THR A 16 -4.793 24.718 -13.182 1.00 0.00 H new ATOM 0 HA THR A 16 -1.816 24.537 -13.073 1.00 0.00 H new ATOM 0 HB THR A 16 -1.700 24.421 -15.515 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.681 24.106 -16.696 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.578 22.128 -15.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.787 22.286 -14.261 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.563 22.291 -14.374 1.00 0.00 H new ATOM 238 N PHE A 17 -1.712 26.989 -13.741 1.00 0.00 N ATOM 239 CA PHE A 17 -1.749 28.471 -13.899 1.00 0.00 C ATOM 240 C PHE A 17 -1.007 28.860 -15.176 1.00 0.00 C ATOM 241 O PHE A 17 -0.047 28.224 -15.562 1.00 0.00 O ATOM 242 CB PHE A 17 -1.057 29.135 -12.707 1.00 0.00 C ATOM 243 CG PHE A 17 -1.832 28.866 -11.441 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.765 27.608 -10.831 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.609 29.880 -10.872 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.477 27.364 -9.651 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.323 29.637 -9.694 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.257 28.378 -9.082 1.00 0.00 C ATOM 0 H PHE A 17 -0.786 26.593 -13.580 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.787 28.800 -13.952 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.041 28.754 -12.608 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.980 30.209 -12.874 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.164 26.826 -11.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.658 30.851 -11.342 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.425 26.394 -9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.925 30.419 -9.256 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.807 28.190 -8.172 1.00 0.00 H new ATOM 258 N THR A 18 -1.429 29.903 -15.833 1.00 0.00 N ATOM 259 CA THR A 18 -0.720 30.321 -17.075 1.00 0.00 C ATOM 260 C THR A 18 -0.755 31.847 -17.194 1.00 0.00 C ATOM 261 O THR A 18 -1.800 32.461 -17.125 1.00 0.00 O ATOM 262 CB THR A 18 -1.394 29.689 -18.294 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.501 28.286 -18.099 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.560 29.971 -19.544 1.00 0.00 C ATOM 0 H THR A 18 -2.227 30.480 -15.568 1.00 0.00 H new ATOM 0 HA THR A 18 0.316 29.987 -17.030 1.00 0.00 H new ATOM 0 HB THR A 18 -2.389 30.115 -18.421 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.934 27.879 -18.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.041 29.520 -20.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.479 31.048 -19.692 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.436 29.546 -19.420 1.00 0.00 H new ATOM 272 N VAL A 19 0.383 32.460 -17.373 1.00 0.00 N ATOM 273 CA VAL A 19 0.419 33.945 -17.500 1.00 0.00 C ATOM 274 C VAL A 19 -0.075 34.343 -18.891 1.00 0.00 C ATOM 275 O VAL A 19 0.284 33.738 -19.882 1.00 0.00 O ATOM 276 CB VAL A 19 1.857 34.434 -17.311 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.853 35.939 -17.039 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.494 33.704 -16.126 1.00 0.00 C ATOM 0 H VAL A 19 1.290 31.997 -17.437 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.222 34.395 -16.742 1.00 0.00 H new ATOM 0 HB VAL A 19 2.431 34.229 -18.215 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.877 36.287 -16.904 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.401 36.460 -17.883 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.278 36.144 -16.136 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.518 34.053 -15.992 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.920 33.908 -15.222 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.498 32.631 -16.319 1.00 0.00 H new ATOM 288 N GLN A 20 -0.901 35.352 -18.981 1.00 0.00 N ATOM 289 CA GLN A 20 -1.413 35.771 -20.315 1.00 0.00 C ATOM 290 C GLN A 20 -0.828 37.135 -20.691 1.00 0.00 C ATOM 291 O GLN A 20 -0.403 37.897 -19.845 1.00 0.00 O ATOM 292 CB GLN A 20 -2.939 35.868 -20.267 1.00 0.00 C ATOM 293 CG GLN A 20 -3.527 35.299 -21.560 1.00 0.00 C ATOM 294 CD GLN A 20 -4.039 33.881 -21.306 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.088 33.697 -20.722 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.338 32.863 -21.724 1.00 0.00 N ATOM 0 H GLN A 20 -1.241 35.901 -18.191 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.116 35.034 -21.061 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.322 35.318 -19.408 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.244 36.907 -20.142 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.341 35.933 -21.912 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.769 35.289 -22.343 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.457 33.017 -22.214 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.671 31.913 -21.560 1.00 0.00 H new ATOM 305 N LYS A 21 -0.809 37.447 -21.958 1.00 0.00 N ATOM 306 CA LYS A 21 -0.259 38.758 -22.405 1.00 0.00 C ATOM 307 C LYS A 21 -0.909 39.893 -21.610 1.00 0.00 C ATOM 308 O LYS A 21 -2.088 40.156 -21.746 1.00 0.00 O ATOM 309 CB LYS A 21 -0.568 38.952 -23.890 1.00 0.00 C ATOM 310 CG LYS A 21 0.139 37.870 -24.707 1.00 0.00 C ATOM 311 CD LYS A 21 -0.142 38.091 -26.195 1.00 0.00 C ATOM 312 CE LYS A 21 0.453 36.936 -27.005 1.00 0.00 C ATOM 313 NZ LYS A 21 0.850 37.429 -28.354 1.00 0.00 N ATOM 0 H LYS A 21 -1.153 36.846 -22.707 1.00 0.00 H new ATOM 0 HA LYS A 21 0.818 38.770 -22.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.644 38.903 -24.057 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.239 39.939 -24.214 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.212 37.901 -24.520 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.209 36.883 -24.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.216 38.154 -26.367 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.289 39.038 -26.521 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.319 36.523 -26.488 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.276 36.131 -27.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.254 36.645 -28.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.014 37.803 -28.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.559 38.183 -28.253 1.00 0.00 H new ATOM 327 N GLY A 22 -0.158 40.579 -20.790 1.00 0.00 N ATOM 328 CA GLY A 22 -0.757 41.700 -20.011 1.00 0.00 C ATOM 329 C GLY A 22 -0.193 41.726 -18.588 1.00 0.00 C ATOM 330 O GLY A 22 -0.460 42.634 -17.828 1.00 0.00 O ATOM 0 H GLY A 22 0.835 40.413 -20.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.549 42.648 -20.508 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.841 41.589 -19.977 1.00 0.00 H new ATOM 334 N SER A 23 0.579 40.744 -18.213 1.00 0.00 N ATOM 335 CA SER A 23 1.142 40.737 -16.832 1.00 0.00 C ATOM 336 C SER A 23 1.946 42.021 -16.604 1.00 0.00 C ATOM 337 O SER A 23 2.602 42.520 -17.497 1.00 0.00 O ATOM 338 CB SER A 23 2.052 39.521 -16.654 1.00 0.00 C ATOM 339 OG SER A 23 1.258 38.363 -16.443 1.00 0.00 O ATOM 0 H SER A 23 0.843 39.951 -18.798 1.00 0.00 H new ATOM 0 HA SER A 23 0.329 40.685 -16.108 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.678 39.390 -17.536 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.722 39.675 -15.808 1.00 0.00 H new ATOM 0 HG SER A 23 0.337 38.630 -16.242 1.00 0.00 H new ATOM 345 N ASP A 24 1.897 42.562 -15.417 1.00 0.00 N ATOM 346 CA ASP A 24 2.657 43.816 -15.138 1.00 0.00 C ATOM 347 C ASP A 24 3.370 43.698 -13.789 1.00 0.00 C ATOM 348 O ASP A 24 3.156 42.763 -13.043 1.00 0.00 O ATOM 349 CB ASP A 24 1.689 45.002 -15.104 1.00 0.00 C ATOM 350 CG ASP A 24 0.409 44.645 -15.865 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.295 43.756 -15.415 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.156 45.266 -16.883 1.00 0.00 O ATOM 0 H ASP A 24 1.365 42.192 -14.629 1.00 0.00 H new ATOM 0 HA ASP A 24 3.397 43.972 -15.923 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.450 45.260 -14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.157 45.879 -15.551 1.00 0.00 H new ATOM 357 N PRO A 25 4.239 44.673 -13.474 1.00 0.00 N ATOM 358 CA PRO A 25 4.996 44.690 -12.215 1.00 0.00 C ATOM 359 C PRO A 25 4.094 44.975 -11.010 1.00 0.00 C ATOM 360 O PRO A 25 4.333 44.501 -9.918 1.00 0.00 O ATOM 361 CB PRO A 25 5.986 45.838 -12.407 1.00 0.00 C ATOM 362 CG PRO A 25 5.332 46.732 -13.407 1.00 0.00 C ATOM 363 CD PRO A 25 4.551 45.835 -14.324 1.00 0.00 C ATOM 0 HA PRO A 25 5.469 43.729 -12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.174 46.361 -11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.949 45.476 -12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.677 47.452 -12.916 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.075 47.304 -13.962 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.646 46.322 -14.689 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.134 45.548 -15.199 1.00 0.00 H new ATOM 371 N LYS A 26 3.054 45.737 -11.203 1.00 0.00 N ATOM 372 CA LYS A 26 2.132 46.044 -10.076 1.00 0.00 C ATOM 373 C LYS A 26 0.779 45.385 -10.348 1.00 0.00 C ATOM 374 O LYS A 26 -0.184 45.592 -9.638 1.00 0.00 O ATOM 375 CB LYS A 26 1.955 47.556 -9.965 1.00 0.00 C ATOM 376 CG LYS A 26 1.469 48.110 -11.304 1.00 0.00 C ATOM 377 CD LYS A 26 0.839 49.487 -11.088 1.00 0.00 C ATOM 378 CE LYS A 26 0.619 50.168 -12.441 1.00 0.00 C ATOM 379 NZ LYS A 26 1.214 51.534 -12.410 1.00 0.00 N ATOM 0 H LYS A 26 2.803 46.161 -12.096 1.00 0.00 H new ATOM 0 HA LYS A 26 2.545 45.661 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.238 47.792 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.899 48.024 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.302 48.185 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.741 47.431 -11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.110 49.385 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.487 50.100 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.076 49.578 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.447 50.228 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.065 51.998 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.759 52.094 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.234 51.464 -12.218 1.00 0.00 H new ATOM 393 N LYS A 27 0.710 44.588 -11.377 1.00 0.00 N ATOM 394 CA LYS A 27 -0.563 43.898 -11.717 1.00 0.00 C ATOM 395 C LYS A 27 -0.238 42.486 -12.200 1.00 0.00 C ATOM 396 O LYS A 27 0.640 42.290 -13.017 1.00 0.00 O ATOM 397 CB LYS A 27 -1.276 44.666 -12.832 1.00 0.00 C ATOM 398 CG LYS A 27 -1.777 46.005 -12.290 1.00 0.00 C ATOM 399 CD LYS A 27 -2.639 46.695 -13.350 1.00 0.00 C ATOM 400 CE LYS A 27 -2.459 48.210 -13.246 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.634 48.633 -11.827 1.00 0.00 N ATOM 0 H LYS A 27 1.489 44.384 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.210 43.854 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.595 44.832 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.112 44.080 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.357 45.847 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.932 46.640 -12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.355 46.352 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.687 46.432 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.469 48.495 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.185 48.718 -13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.766 49.664 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.469 48.161 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.790 48.370 -11.280 1.00 0.00 H new ATOM 415 N LEU A 28 -0.929 41.498 -11.708 1.00 0.00 N ATOM 416 CA LEU A 28 -0.636 40.109 -12.155 1.00 0.00 C ATOM 417 C LEU A 28 -1.894 39.498 -12.772 1.00 0.00 C ATOM 418 O LEU A 28 -2.927 39.381 -12.142 1.00 0.00 O ATOM 419 CB LEU A 28 -0.161 39.266 -10.964 1.00 0.00 C ATOM 420 CG LEU A 28 0.637 38.045 -11.440 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.168 37.611 -12.829 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.125 38.394 -11.490 1.00 0.00 C ATOM 0 H LEU A 28 -1.678 41.590 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 28 0.155 40.127 -12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.458 39.876 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.021 38.938 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 28 0.475 37.225 -10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.744 36.744 -13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.890 37.351 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.315 38.428 -13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.691 37.526 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.282 39.222 -12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.464 38.684 -10.495 1.00 0.00 H new ATOM 434 N VAL A 29 -1.790 39.095 -14.009 1.00 0.00 N ATOM 435 CA VAL A 29 -2.940 38.468 -14.713 1.00 0.00 C ATOM 436 C VAL A 29 -2.528 37.058 -15.126 1.00 0.00 C ATOM 437 O VAL A 29 -1.520 36.867 -15.777 1.00 0.00 O ATOM 438 CB VAL A 29 -3.284 39.284 -15.961 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.630 38.818 -16.518 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.370 40.767 -15.592 1.00 0.00 C ATOM 0 H VAL A 29 -0.941 39.176 -14.569 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.812 38.435 -14.060 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.510 39.141 -16.715 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.876 39.398 -17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.569 37.762 -16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.405 38.961 -15.765 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.615 41.349 -16.480 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.145 40.910 -14.839 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.411 41.099 -15.194 1.00 0.00 H new ATOM 450 N LEU A 30 -3.283 36.066 -14.754 1.00 0.00 N ATOM 451 CA LEU A 30 -2.901 34.677 -15.130 1.00 0.00 C ATOM 452 C LEU A 30 -4.153 33.845 -15.399 1.00 0.00 C ATOM 453 O LEU A 30 -5.164 33.995 -14.742 1.00 0.00 O ATOM 454 CB LEU A 30 -2.119 34.027 -13.983 1.00 0.00 C ATOM 455 CG LEU A 30 -0.903 34.884 -13.617 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.867 35.095 -12.103 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.374 34.169 -14.060 1.00 0.00 C ATOM 0 H LEU A 30 -4.142 36.153 -14.210 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.284 34.716 -16.028 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.765 33.910 -13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.794 33.028 -14.275 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.974 35.849 -14.118 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.002 35.705 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.778 35.602 -11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.795 34.129 -11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.240 34.777 -13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.444 33.204 -13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.349 34.015 -15.139 1.00 0.00 H new ATOM 469 N ASP A 31 -4.079 32.940 -16.332 1.00 0.00 N ATOM 470 CA ASP A 31 -5.248 32.068 -16.610 1.00 0.00 C ATOM 471 C ASP A 31 -5.188 30.906 -15.623 1.00 0.00 C ATOM 472 O ASP A 31 -4.133 30.366 -15.361 1.00 0.00 O ATOM 473 CB ASP A 31 -5.176 31.537 -18.044 1.00 0.00 C ATOM 474 CG ASP A 31 -6.433 30.716 -18.347 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.222 30.521 -17.437 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.582 30.297 -19.482 1.00 0.00 O ATOM 0 H ASP A 31 -3.259 32.767 -16.913 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.179 32.624 -16.501 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.092 32.366 -18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.286 30.920 -18.171 1.00 0.00 H new ATOM 481 N ILE A 32 -6.292 30.520 -15.054 1.00 0.00 N ATOM 482 CA ILE A 32 -6.237 29.402 -14.076 1.00 0.00 C ATOM 483 C ILE A 32 -7.119 28.248 -14.533 1.00 0.00 C ATOM 484 O ILE A 32 -8.279 28.417 -14.851 1.00 0.00 O ATOM 485 CB ILE A 32 -6.706 29.890 -12.706 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.677 30.865 -12.133 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.861 28.692 -11.767 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.344 31.747 -11.075 1.00 0.00 C ATOM 0 H ILE A 32 -7.215 30.921 -15.219 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.207 29.052 -14.007 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.665 30.397 -12.806 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.846 30.315 -11.692 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.263 31.484 -12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.196 29.037 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.596 28.000 -12.178 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.902 28.184 -11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.611 32.442 -10.666 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.161 32.307 -11.530 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.736 31.121 -10.274 1.00 0.00 H new ATOM 500 N LYS A 33 -6.573 27.066 -14.537 1.00 0.00 N ATOM 501 CA LYS A 33 -7.368 25.878 -14.935 1.00 0.00 C ATOM 502 C LYS A 33 -7.595 25.029 -13.687 1.00 0.00 C ATOM 503 O LYS A 33 -6.664 24.573 -13.055 1.00 0.00 O ATOM 504 CB LYS A 33 -6.611 25.071 -15.992 1.00 0.00 C ATOM 505 CG LYS A 33 -7.569 24.084 -16.663 1.00 0.00 C ATOM 506 CD LYS A 33 -6.823 23.314 -17.755 1.00 0.00 C ATOM 507 CE LYS A 33 -7.832 22.579 -18.640 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.145 21.469 -19.359 1.00 0.00 N ATOM 0 H LYS A 33 -5.605 26.873 -14.280 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.323 26.184 -15.363 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.181 25.740 -16.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.783 24.534 -15.530 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.971 23.391 -15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.416 24.618 -17.093 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.227 24.000 -18.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.131 22.602 -17.305 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.646 22.184 -18.032 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.276 23.271 -19.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.830 20.969 -19.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.383 21.858 -19.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.742 20.805 -18.668 1.00 0.00 H new ATOM 522 N TYR A 34 -8.827 24.827 -13.325 1.00 0.00 N ATOM 523 CA TYR A 34 -9.128 24.022 -12.110 1.00 0.00 C ATOM 524 C TYR A 34 -10.008 22.836 -12.497 1.00 0.00 C ATOM 525 O TYR A 34 -11.088 23.002 -13.028 1.00 0.00 O ATOM 526 CB TYR A 34 -9.860 24.907 -11.101 1.00 0.00 C ATOM 527 CG TYR A 34 -10.106 24.133 -9.829 1.00 0.00 C ATOM 528 CD1 TYR A 34 -9.143 24.133 -8.814 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.299 23.418 -9.665 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.373 23.418 -7.633 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.527 22.702 -8.483 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.564 22.702 -7.468 1.00 0.00 C ATOM 533 OH TYR A 34 -10.790 21.998 -6.303 1.00 0.00 O ATOM 0 H TYR A 34 -9.644 25.186 -13.820 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.204 23.651 -11.666 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.269 25.797 -10.888 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.807 25.246 -11.520 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.223 24.684 -8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.042 23.419 -10.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.631 23.419 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.446 22.150 -8.355 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.674 22.227 -5.949 1.00 0.00 H new ATOM 543 N THR A 35 -9.557 21.638 -12.246 1.00 0.00 N ATOM 544 CA THR A 35 -10.381 20.453 -12.618 1.00 0.00 C ATOM 545 C THR A 35 -10.652 19.591 -11.384 1.00 0.00 C ATOM 546 O THR A 35 -9.753 19.024 -10.794 1.00 0.00 O ATOM 547 CB THR A 35 -9.644 19.623 -13.672 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.365 20.436 -14.803 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.516 18.439 -14.094 1.00 0.00 C ATOM 0 H THR A 35 -8.662 21.429 -11.804 1.00 0.00 H new ATOM 0 HA THR A 35 -11.331 20.798 -13.026 1.00 0.00 H new ATOM 0 HB THR A 35 -8.709 19.251 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.892 19.906 -15.478 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.990 17.849 -14.844 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.728 17.816 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.452 18.808 -14.513 1.00 0.00 H new ATOM 557 N ARG A 36 -11.895 19.481 -11.002 1.00 0.00 N ATOM 558 CA ARG A 36 -12.250 18.651 -9.818 1.00 0.00 C ATOM 559 C ARG A 36 -13.479 17.804 -10.152 1.00 0.00 C ATOM 560 O ARG A 36 -14.421 18.277 -10.758 1.00 0.00 O ATOM 561 CB ARG A 36 -12.568 19.556 -8.627 1.00 0.00 C ATOM 562 CG ARG A 36 -12.541 18.727 -7.342 1.00 0.00 C ATOM 563 CD ARG A 36 -12.522 19.658 -6.129 1.00 0.00 C ATOM 564 NE ARG A 36 -12.896 18.887 -4.909 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.151 17.892 -4.512 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.091 18.119 -3.787 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.469 16.668 -4.839 1.00 0.00 N ATOM 0 H ARG A 36 -12.684 19.934 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.410 18.004 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.841 20.366 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.548 20.016 -8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.414 18.076 -7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.662 18.083 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.531 20.095 -6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.218 20.483 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.734 19.137 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.844 19.075 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.509 17.341 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.299 16.490 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.887 15.890 -4.529 1.00 0.00 H new ATOM 581 N PRO A 37 -13.468 16.527 -9.749 1.00 0.00 N ATOM 582 CA PRO A 37 -14.582 15.605 -10.007 1.00 0.00 C ATOM 583 C PRO A 37 -15.824 15.966 -9.187 1.00 0.00 C ATOM 584 O PRO A 37 -15.928 15.635 -8.022 1.00 0.00 O ATOM 585 CB PRO A 37 -14.035 14.249 -9.562 1.00 0.00 C ATOM 586 CG PRO A 37 -12.978 14.579 -8.564 1.00 0.00 C ATOM 587 CD PRO A 37 -12.370 15.879 -9.010 1.00 0.00 C ATOM 0 HA PRO A 37 -14.900 15.630 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.817 13.631 -9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.625 13.691 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.402 14.671 -7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.225 13.792 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.043 16.482 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.497 15.719 -9.643 1.00 0.00 H new ATOM 595 N GLY A 38 -16.768 16.637 -9.787 1.00 0.00 N ATOM 596 CA GLY A 38 -18.005 17.013 -9.045 1.00 0.00 C ATOM 597 C GLY A 38 -17.863 18.432 -8.488 1.00 0.00 C ATOM 598 O GLY A 38 -18.806 19.199 -8.470 1.00 0.00 O ATOM 0 H GLY A 38 -16.737 16.942 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.869 16.957 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.181 16.309 -8.232 1.00 0.00 H new ATOM 602 N ASP A 39 -16.694 18.787 -8.032 1.00 0.00 N ATOM 603 CA ASP A 39 -16.496 20.155 -7.472 1.00 0.00 C ATOM 604 C ASP A 39 -15.915 21.076 -8.547 1.00 0.00 C ATOM 605 O ASP A 39 -15.615 20.653 -9.646 1.00 0.00 O ATOM 606 CB ASP A 39 -15.530 20.083 -6.289 1.00 0.00 C ATOM 607 CG ASP A 39 -16.303 19.732 -5.017 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.522 19.741 -5.067 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.663 19.458 -4.015 1.00 0.00 O ATOM 0 H ASP A 39 -15.867 18.190 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.456 20.551 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.762 19.333 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.019 21.038 -6.165 1.00 0.00 H new ATOM 614 N SER A 40 -15.754 22.334 -8.236 1.00 0.00 N ATOM 615 CA SER A 40 -15.192 23.287 -9.236 1.00 0.00 C ATOM 616 C SER A 40 -14.532 24.458 -8.506 1.00 0.00 C ATOM 617 O SER A 40 -14.784 24.696 -7.343 1.00 0.00 O ATOM 618 CB SER A 40 -16.319 23.815 -10.126 1.00 0.00 C ATOM 619 OG SER A 40 -16.610 22.860 -11.137 1.00 0.00 O ATOM 0 H SER A 40 -15.988 22.743 -7.331 1.00 0.00 H new ATOM 0 HA SER A 40 -14.452 22.775 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.209 24.010 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.026 24.762 -10.579 1.00 0.00 H new ATOM 0 HG SER A 40 -16.237 21.990 -10.882 1.00 0.00 H new ATOM 625 N LEU A 41 -13.691 25.197 -9.178 1.00 0.00 N ATOM 626 CA LEU A 41 -13.026 26.356 -8.515 1.00 0.00 C ATOM 627 C LEU A 41 -14.072 27.431 -8.219 1.00 0.00 C ATOM 628 O LEU A 41 -14.830 27.821 -9.084 1.00 0.00 O ATOM 629 CB LEU A 41 -11.956 26.930 -9.443 1.00 0.00 C ATOM 630 CG LEU A 41 -11.435 28.246 -8.863 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.918 28.007 -7.444 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.299 28.774 -9.740 1.00 0.00 C ATOM 0 H LEU A 41 -13.436 25.049 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.560 26.029 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.137 26.220 -9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.372 27.097 -10.437 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.242 28.978 -8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.546 28.944 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.729 27.630 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.110 27.276 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.927 29.712 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.491 28.043 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.669 28.944 -10.751 1.00 0.00 H new ATOM 644 N ALA A 42 -14.132 27.906 -7.005 1.00 0.00 N ATOM 645 CA ALA A 42 -15.145 28.945 -6.668 1.00 0.00 C ATOM 646 C ALA A 42 -14.453 30.258 -6.290 1.00 0.00 C ATOM 647 O ALA A 42 -14.850 31.322 -6.723 1.00 0.00 O ATOM 648 CB ALA A 42 -15.984 28.462 -5.484 1.00 0.00 C ATOM 0 H ALA A 42 -13.526 27.621 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.782 29.115 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.728 29.218 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.487 27.533 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.336 28.290 -4.625 1.00 0.00 H new ATOM 654 N GLU A 43 -13.431 30.200 -5.481 1.00 0.00 N ATOM 655 CA GLU A 43 -12.739 31.457 -5.078 1.00 0.00 C ATOM 656 C GLU A 43 -11.221 31.276 -5.148 1.00 0.00 C ATOM 657 O GLU A 43 -10.693 30.219 -4.861 1.00 0.00 O ATOM 658 CB GLU A 43 -13.139 31.821 -3.648 1.00 0.00 C ATOM 659 CG GLU A 43 -14.642 32.102 -3.596 1.00 0.00 C ATOM 660 CD GLU A 43 -14.991 32.768 -2.264 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.156 32.745 -1.376 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.089 33.290 -2.156 1.00 0.00 O ATOM 0 H GLU A 43 -13.047 29.343 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.032 32.255 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.887 31.006 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.582 32.697 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.931 32.749 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.201 31.173 -3.707 1.00 0.00 H new ATOM 669 N VAL A 44 -10.518 32.308 -5.527 1.00 0.00 N ATOM 670 CA VAL A 44 -9.033 32.221 -5.619 1.00 0.00 C ATOM 671 C VAL A 44 -8.419 33.503 -5.052 1.00 0.00 C ATOM 672 O VAL A 44 -8.866 34.593 -5.349 1.00 0.00 O ATOM 673 CB VAL A 44 -8.623 32.080 -7.087 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.098 32.028 -7.186 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.217 30.793 -7.662 1.00 0.00 C ATOM 0 H VAL A 44 -10.912 33.215 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.682 31.358 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.995 32.934 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.804 31.928 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.675 32.946 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.726 31.174 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.925 30.693 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.846 29.937 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.304 30.831 -7.591 1.00 0.00 H new ATOM 685 N GLU A 45 -7.394 33.393 -4.252 1.00 0.00 N ATOM 686 CA GLU A 45 -6.768 34.626 -3.697 1.00 0.00 C ATOM 687 C GLU A 45 -5.262 34.590 -3.967 1.00 0.00 C ATOM 688 O GLU A 45 -4.661 33.538 -4.056 1.00 0.00 O ATOM 689 CB GLU A 45 -7.032 34.721 -2.194 1.00 0.00 C ATOM 690 CG GLU A 45 -8.489 35.121 -1.956 1.00 0.00 C ATOM 691 CD GLU A 45 -8.776 35.129 -0.453 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.850 34.897 0.308 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.915 35.368 -0.088 1.00 0.00 O ATOM 0 H GLU A 45 -6.967 32.514 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.202 35.502 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.824 33.764 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.364 35.454 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.680 36.107 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.156 34.423 -2.461 1.00 0.00 H new ATOM 700 N LEU A 46 -4.656 35.734 -4.120 1.00 0.00 N ATOM 701 CA LEU A 46 -3.195 35.775 -4.409 1.00 0.00 C ATOM 702 C LEU A 46 -2.465 36.572 -3.326 1.00 0.00 C ATOM 703 O LEU A 46 -2.871 37.658 -2.960 1.00 0.00 O ATOM 704 CB LEU A 46 -2.985 36.453 -5.765 1.00 0.00 C ATOM 705 CG LEU A 46 -1.505 36.798 -5.947 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.653 35.556 -5.680 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.270 37.274 -7.381 1.00 0.00 C ATOM 0 H LEU A 46 -5.111 36.645 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.798 34.760 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.316 35.793 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.589 37.358 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.227 37.586 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.401 35.803 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.822 35.211 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.930 34.768 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.217 37.521 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.548 36.483 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.877 38.158 -7.575 1.00 0.00 H new ATOM 719 N ARG A 47 -1.381 36.051 -2.822 1.00 0.00 N ATOM 720 CA ARG A 47 -0.613 36.785 -1.778 1.00 0.00 C ATOM 721 C ARG A 47 0.800 37.054 -2.303 1.00 0.00 C ATOM 722 O ARG A 47 1.474 36.165 -2.784 1.00 0.00 O ATOM 723 CB ARG A 47 -0.543 35.947 -0.500 1.00 0.00 C ATOM 724 CG ARG A 47 0.508 36.535 0.441 1.00 0.00 C ATOM 725 CD ARG A 47 0.386 35.877 1.817 1.00 0.00 C ATOM 726 NE ARG A 47 0.629 34.413 1.689 1.00 0.00 N ATOM 727 CZ ARG A 47 0.579 33.648 2.744 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.110 34.116 3.868 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.001 32.415 2.676 1.00 0.00 N ATOM 0 H ARG A 47 -0.993 35.146 -3.089 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.108 37.729 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.516 35.931 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.291 34.915 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.507 36.372 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.371 37.613 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.105 36.317 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.606 36.057 2.232 1.00 0.00 H new ATOM 0 HE ARG A 47 0.835 34.009 0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.218 35.080 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.071 33.517 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.370 32.050 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.962 31.816 3.501 1.00 0.00 H new ATOM 743 N GLN A 48 1.246 38.279 -2.230 1.00 0.00 N ATOM 744 CA GLN A 48 2.606 38.613 -2.739 1.00 0.00 C ATOM 745 C GLN A 48 3.673 38.022 -1.818 1.00 0.00 C ATOM 746 O GLN A 48 3.416 37.696 -0.676 1.00 0.00 O ATOM 747 CB GLN A 48 2.771 40.133 -2.788 1.00 0.00 C ATOM 748 CG GLN A 48 1.602 40.752 -3.556 1.00 0.00 C ATOM 749 CD GLN A 48 1.914 42.217 -3.867 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.328 42.796 -4.879 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 2.701 42.840 -3.183 1.00 0.00 N flip ATOM 0 H GLN A 48 0.725 39.064 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 48 2.723 38.194 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.809 40.537 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.714 40.391 -3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.429 40.202 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.688 40.681 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.159 42.387 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.904 43.816 -3.400 1.00 0.00 H new ATOM 760 N HIS A 49 4.875 37.888 -2.310 1.00 0.00 N ATOM 761 CA HIS A 49 5.969 37.327 -1.473 1.00 0.00 C ATOM 762 C HIS A 49 6.353 38.339 -0.392 1.00 0.00 C ATOM 763 O HIS A 49 6.317 39.536 -0.606 1.00 0.00 O ATOM 764 CB HIS A 49 7.188 37.040 -2.351 1.00 0.00 C ATOM 765 CG HIS A 49 8.328 36.573 -1.488 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.269 35.395 -0.761 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.562 37.113 -1.227 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.435 35.265 -0.103 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.260 36.286 -0.353 1.00 0.00 N ATOM 0 H HIS A 49 5.145 38.145 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 49 5.630 36.403 -1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.944 36.280 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.476 37.938 -2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.935 38.040 -1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.675 34.437 0.548 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.200 36.428 0.017 1.00 0.00 H new ATOM 777 N GLY A 50 6.722 37.869 0.766 1.00 0.00 N ATOM 778 CA GLY A 50 7.111 38.803 1.860 1.00 0.00 C ATOM 779 C GLY A 50 5.872 39.538 2.376 1.00 0.00 C ATOM 780 O GLY A 50 5.959 40.386 3.242 1.00 0.00 O ATOM 0 H GLY A 50 6.771 36.878 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.582 38.250 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.845 39.521 1.494 1.00 0.00 H new ATOM 784 N SER A 51 4.717 39.221 1.856 1.00 0.00 N ATOM 785 CA SER A 51 3.479 39.905 2.325 1.00 0.00 C ATOM 786 C SER A 51 2.591 38.899 3.058 1.00 0.00 C ATOM 787 O SER A 51 2.655 37.709 2.818 1.00 0.00 O ATOM 788 CB SER A 51 2.723 40.478 1.124 1.00 0.00 C ATOM 789 OG SER A 51 1.593 41.207 1.579 1.00 0.00 O ATOM 0 H SER A 51 4.578 38.520 1.129 1.00 0.00 H new ATOM 0 HA SER A 51 3.746 40.716 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.379 41.128 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.407 39.672 0.462 1.00 0.00 H new ATOM 0 HG SER A 51 1.110 41.575 0.810 1.00 0.00 H new ATOM 795 N GLU A 52 1.764 39.366 3.952 1.00 0.00 N ATOM 796 CA GLU A 52 0.874 38.434 4.702 1.00 0.00 C ATOM 797 C GLU A 52 -0.585 38.822 4.463 1.00 0.00 C ATOM 798 O GLU A 52 -1.479 38.378 5.158 1.00 0.00 O ATOM 799 CB GLU A 52 1.188 38.523 6.196 1.00 0.00 C ATOM 800 CG GLU A 52 2.703 38.464 6.401 1.00 0.00 C ATOM 801 CD GLU A 52 3.033 38.779 7.862 1.00 0.00 C ATOM 802 OE1 GLU A 52 2.150 39.247 8.560 1.00 0.00 O ATOM 803 OE2 GLU A 52 4.164 38.546 8.257 1.00 0.00 O ATOM 0 H GLU A 52 1.666 40.352 4.196 1.00 0.00 H new ATOM 0 HA GLU A 52 1.040 37.414 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.790 39.450 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.705 37.704 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.078 37.475 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.198 39.178 5.743 1.00 0.00 H new ATOM 810 N GLU A 53 -0.835 39.646 3.484 1.00 0.00 N ATOM 811 CA GLU A 53 -2.237 40.062 3.200 1.00 0.00 C ATOM 812 C GLU A 53 -2.680 39.469 1.863 1.00 0.00 C ATOM 813 O GLU A 53 -2.377 39.989 0.808 1.00 0.00 O ATOM 814 CB GLU A 53 -2.314 41.589 3.133 1.00 0.00 C ATOM 815 CG GLU A 53 -2.006 42.174 4.513 1.00 0.00 C ATOM 816 CD GLU A 53 -2.295 43.677 4.505 1.00 0.00 C ATOM 817 OE1 GLU A 53 -2.694 44.178 3.468 1.00 0.00 O ATOM 818 OE2 GLU A 53 -2.111 44.300 5.538 1.00 0.00 O ATOM 0 H GLU A 53 -0.129 40.049 2.868 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.892 39.702 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.604 41.968 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.306 41.900 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.612 41.680 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.962 41.995 4.771 1.00 0.00 H new ATOM 825 N TRP A 54 -3.396 38.380 1.900 1.00 0.00 N ATOM 826 CA TRP A 54 -3.861 37.748 0.635 1.00 0.00 C ATOM 827 C TRP A 54 -4.734 38.733 -0.144 1.00 0.00 C ATOM 828 O TRP A 54 -5.605 39.377 0.405 1.00 0.00 O ATOM 829 CB TRP A 54 -4.675 36.497 0.961 1.00 0.00 C ATOM 830 CG TRP A 54 -3.749 35.379 1.314 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.236 35.154 2.545 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.216 34.335 0.450 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.425 34.034 2.493 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.380 33.494 1.221 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.377 34.038 -0.915 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.726 32.397 0.658 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.720 32.936 -1.486 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.897 32.117 -0.701 1.00 0.00 C ATOM 0 H TRP A 54 -3.680 37.900 2.754 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.996 37.475 0.030 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.353 36.697 1.790 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.291 36.218 0.106 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.428 35.751 3.425 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.922 33.653 3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.010 34.662 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.093 31.769 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.850 32.718 -2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.395 31.270 -1.146 1.00 0.00 H new ATOM 849 N GLU A 55 -4.504 38.850 -1.423 1.00 0.00 N ATOM 850 CA GLU A 55 -5.316 39.787 -2.247 1.00 0.00 C ATOM 851 C GLU A 55 -6.195 38.979 -3.204 1.00 0.00 C ATOM 852 O GLU A 55 -5.729 38.085 -3.881 1.00 0.00 O ATOM 853 CB GLU A 55 -4.387 40.697 -3.053 1.00 0.00 C ATOM 854 CG GLU A 55 -3.566 41.565 -2.097 1.00 0.00 C ATOM 855 CD GLU A 55 -2.888 42.689 -2.882 1.00 0.00 C ATOM 856 OE1 GLU A 55 -3.596 43.454 -3.515 1.00 0.00 O ATOM 857 OE2 GLU A 55 -1.671 42.764 -2.837 1.00 0.00 O ATOM 0 H GLU A 55 -3.786 38.335 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.943 40.397 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.724 40.097 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.971 41.328 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.211 41.984 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.816 40.957 -1.590 1.00 0.00 H new ATOM 864 N PRO A 56 -7.495 39.301 -3.252 1.00 0.00 N ATOM 865 CA PRO A 56 -8.449 38.602 -4.121 1.00 0.00 C ATOM 866 C PRO A 56 -8.206 38.908 -5.602 1.00 0.00 C ATOM 867 O PRO A 56 -7.900 40.025 -5.971 1.00 0.00 O ATOM 868 CB PRO A 56 -9.803 39.166 -3.688 1.00 0.00 C ATOM 869 CG PRO A 56 -9.486 40.503 -3.109 1.00 0.00 C ATOM 870 CD PRO A 56 -8.136 40.368 -2.465 1.00 0.00 C ATOM 0 HA PRO A 56 -8.370 37.519 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.485 39.252 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.285 38.520 -2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.474 41.270 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.238 40.800 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.571 41.299 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.217 40.099 -1.412 1.00 0.00 H new ATOM 878 N LEU A 57 -8.353 37.932 -6.456 1.00 0.00 N ATOM 879 CA LEU A 57 -8.143 38.180 -7.911 1.00 0.00 C ATOM 880 C LEU A 57 -9.504 38.423 -8.564 1.00 0.00 C ATOM 881 O LEU A 57 -10.487 37.809 -8.200 1.00 0.00 O ATOM 882 CB LEU A 57 -7.481 36.956 -8.551 1.00 0.00 C ATOM 883 CG LEU A 57 -6.049 36.812 -8.029 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.078 36.579 -6.516 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.373 35.624 -8.715 1.00 0.00 C ATOM 0 H LEU A 57 -8.609 36.976 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.499 39.048 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.054 36.058 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.474 37.060 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.490 37.723 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.059 36.476 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.559 37.426 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.637 35.669 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.353 35.521 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.931 34.713 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.352 35.790 -9.792 1.00 0.00 H new ATOM 897 N THR A 58 -9.583 39.310 -9.518 1.00 0.00 N ATOM 898 CA THR A 58 -10.902 39.566 -10.161 1.00 0.00 C ATOM 899 C THR A 58 -11.163 38.490 -11.214 1.00 0.00 C ATOM 900 O THR A 58 -10.357 38.261 -12.095 1.00 0.00 O ATOM 901 CB THR A 58 -10.902 40.947 -10.820 1.00 0.00 C ATOM 902 OG1 THR A 58 -10.607 41.936 -9.844 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.277 41.223 -11.430 1.00 0.00 C ATOM 0 H THR A 58 -8.803 39.861 -9.876 1.00 0.00 H new ATOM 0 HA THR A 58 -11.687 39.537 -9.405 1.00 0.00 H new ATOM 0 HB THR A 58 -10.147 40.975 -11.605 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.605 42.821 -10.265 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.276 42.207 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.502 40.464 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.035 41.195 -10.647 1.00 0.00 H new ATOM 911 N LYS A 59 -12.280 37.822 -11.131 1.00 0.00 N ATOM 912 CA LYS A 59 -12.583 36.759 -12.127 1.00 0.00 C ATOM 913 C LYS A 59 -12.918 37.405 -13.473 1.00 0.00 C ATOM 914 O LYS A 59 -13.965 37.999 -13.636 1.00 0.00 O ATOM 915 CB LYS A 59 -13.779 35.940 -11.643 1.00 0.00 C ATOM 916 CG LYS A 59 -14.018 34.771 -12.599 1.00 0.00 C ATOM 917 CD LYS A 59 -15.302 34.039 -12.200 1.00 0.00 C ATOM 918 CE LYS A 59 -15.405 32.729 -12.983 1.00 0.00 C ATOM 919 NZ LYS A 59 -16.592 32.782 -13.883 1.00 0.00 N ATOM 0 H LYS A 59 -12.994 37.967 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.717 36.107 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.594 35.568 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.667 36.569 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.098 35.135 -13.623 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.172 34.085 -12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.300 33.836 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.170 34.666 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.499 32.570 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.493 31.888 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.663 31.892 -14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.453 32.915 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.489 33.576 -14.547 1.00 0.00 H new ATOM 933 N LYS A 60 -12.047 37.301 -14.439 1.00 0.00 N ATOM 934 CA LYS A 60 -12.343 37.920 -15.762 1.00 0.00 C ATOM 935 C LYS A 60 -12.507 36.821 -16.814 1.00 0.00 C ATOM 936 O LYS A 60 -11.703 35.914 -16.903 1.00 0.00 O ATOM 937 CB LYS A 60 -11.194 38.848 -16.165 1.00 0.00 C ATOM 938 CG LYS A 60 -11.216 40.101 -15.287 1.00 0.00 C ATOM 939 CD LYS A 60 -10.772 41.312 -16.113 1.00 0.00 C ATOM 940 CE LYS A 60 -10.985 42.590 -15.300 1.00 0.00 C ATOM 941 NZ LYS A 60 -12.424 42.978 -15.355 1.00 0.00 N ATOM 0 H LYS A 60 -11.151 36.819 -14.371 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.265 38.497 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.240 38.332 -16.056 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.288 39.125 -17.215 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.219 40.264 -14.893 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.555 39.969 -14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.722 41.213 -16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.340 41.360 -17.042 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.679 42.432 -14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.365 43.394 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.543 43.929 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.745 42.980 -16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.988 42.296 -14.809 1.00 0.00 H new ATOM 955 N GLY A 61 -13.538 36.893 -17.611 1.00 0.00 N ATOM 956 CA GLY A 61 -13.745 35.847 -18.652 1.00 0.00 C ATOM 957 C GLY A 61 -13.472 34.470 -18.045 1.00 0.00 C ATOM 958 O GLY A 61 -14.300 33.907 -17.358 1.00 0.00 O ATOM 0 H GLY A 61 -14.244 37.629 -17.587 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.765 35.894 -19.033 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.080 36.023 -19.498 1.00 0.00 H new ATOM 962 N ASN A 62 -12.312 33.925 -18.290 1.00 0.00 N ATOM 963 CA ASN A 62 -11.984 32.588 -17.722 1.00 0.00 C ATOM 964 C ASN A 62 -10.613 32.652 -17.044 1.00 0.00 C ATOM 965 O ASN A 62 -9.928 31.658 -16.909 1.00 0.00 O ATOM 966 CB ASN A 62 -11.954 31.546 -18.844 1.00 0.00 C ATOM 967 CG ASN A 62 -10.890 31.931 -19.874 1.00 0.00 C ATOM 968 OD1 ASN A 62 -10.633 33.098 -20.093 1.00 0.00 O ATOM 969 ND2 ASN A 62 -10.256 30.991 -20.521 1.00 0.00 N ATOM 0 H ASN A 62 -11.578 34.348 -18.858 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.741 32.306 -16.991 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.737 30.560 -18.433 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.932 31.483 -19.322 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.545 31.236 -21.210 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.471 30.011 -20.337 1.00 0.00 H new ATOM 976 N VAL A 63 -10.208 33.819 -16.619 1.00 0.00 N ATOM 977 CA VAL A 63 -8.883 33.952 -15.953 1.00 0.00 C ATOM 978 C VAL A 63 -9.039 34.749 -14.656 1.00 0.00 C ATOM 979 O VAL A 63 -10.135 35.027 -14.212 1.00 0.00 O ATOM 980 CB VAL A 63 -7.920 34.691 -16.884 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.715 33.873 -18.160 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.506 36.057 -17.245 1.00 0.00 C ATOM 0 H VAL A 63 -10.739 34.686 -16.705 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.490 32.961 -15.727 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.963 34.827 -16.381 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.029 34.400 -18.823 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.297 32.899 -17.905 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.673 33.737 -18.663 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.820 36.583 -17.908 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.464 35.921 -17.747 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.653 36.641 -16.337 1.00 0.00 H new ATOM 992 N TRP A 64 -7.946 35.127 -14.051 1.00 0.00 N ATOM 993 CA TRP A 64 -8.024 35.915 -12.790 1.00 0.00 C ATOM 994 C TRP A 64 -6.929 36.981 -12.800 1.00 0.00 C ATOM 995 O TRP A 64 -5.763 36.684 -12.966 1.00 0.00 O ATOM 996 CB TRP A 64 -7.822 34.989 -11.589 1.00 0.00 C ATOM 997 CG TRP A 64 -8.975 34.040 -11.494 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.233 33.042 -12.370 1.00 0.00 C ATOM 999 CD2 TRP A 64 -10.028 33.983 -10.487 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.376 32.376 -11.965 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.903 32.919 -10.810 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.306 34.744 -9.337 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -12.014 32.619 -10.020 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.424 34.445 -8.539 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.276 33.386 -8.882 1.00 0.00 C ATOM 0 H TRP A 64 -7.001 34.923 -14.377 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.002 36.390 -12.716 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.889 34.436 -11.695 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.742 35.575 -10.673 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.643 32.804 -13.243 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.780 31.581 -12.459 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.656 35.563 -9.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.666 31.800 -10.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.628 35.034 -7.657 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.135 33.163 -8.267 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.292 38.223 -12.631 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.266 39.300 -12.640 1.00 0.00 C ATOM 1018 C GLU A 65 -6.202 39.962 -11.265 1.00 0.00 C ATOM 1019 O GLU A 65 -7.172 40.003 -10.533 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.631 40.348 -13.694 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.672 41.535 -13.582 1.00 0.00 C ATOM 1022 CD GLU A 65 -5.982 42.548 -14.685 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.063 42.473 -15.245 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.133 43.383 -14.951 1.00 0.00 O ATOM 0 H GLU A 65 -8.252 38.536 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.294 38.868 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.573 39.912 -14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.659 40.682 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.771 42.005 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.641 41.192 -13.668 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.063 40.488 -10.912 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.923 41.160 -9.592 1.00 0.00 C ATOM 1033 C VAL A 66 -4.045 42.403 -9.751 1.00 0.00 C ATOM 1034 O VAL A 66 -3.046 42.384 -10.440 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.271 40.202 -8.592 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.068 39.521 -9.245 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.807 40.986 -7.363 1.00 0.00 C ATOM 0 H VAL A 66 -4.219 40.481 -11.485 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.908 41.448 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.996 39.446 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.605 38.839 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.398 38.962 -10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.343 40.276 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.343 40.304 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.083 41.743 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.664 41.471 -6.896 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.410 43.483 -9.117 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.593 44.723 -9.237 1.00 0.00 C ATOM 1049 C LYS A 67 -3.137 45.173 -7.849 1.00 0.00 C ATOM 1050 O LYS A 67 -3.903 45.190 -6.906 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.429 45.829 -9.882 1.00 0.00 C ATOM 1052 CG LYS A 67 -4.920 45.365 -11.255 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.726 46.486 -11.913 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.199 46.032 -13.294 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.636 47.218 -14.083 1.00 0.00 N ATOM 0 H LYS A 67 -5.236 43.561 -8.523 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.720 44.520 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.278 46.076 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.834 46.736 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.072 45.095 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.537 44.472 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.583 46.746 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.114 47.383 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.394 45.513 -13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.022 45.325 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.958 46.910 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.417 47.695 -13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.839 47.877 -14.189 1.00 0.00 H new ATOM 1069 N SER A 68 -1.889 45.529 -7.716 1.00 0.00 N ATOM 1070 CA SER A 68 -1.368 45.973 -6.395 1.00 0.00 C ATOM 1071 C SER A 68 -0.843 47.403 -6.517 1.00 0.00 C ATOM 1072 O SER A 68 -0.022 47.699 -7.363 1.00 0.00 O ATOM 1073 CB SER A 68 -0.223 45.051 -5.973 1.00 0.00 C ATOM 1074 OG SER A 68 0.073 45.261 -4.601 1.00 0.00 O ATOM 0 H SER A 68 -1.204 45.531 -8.472 1.00 0.00 H new ATOM 0 HA SER A 68 -2.165 45.936 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.499 44.010 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.660 45.249 -6.581 1.00 0.00 H new ATOM 0 HG SER A 68 0.586 44.500 -4.257 1.00 0.00 H new ATOM 1080 N SER A 69 -1.304 48.295 -5.685 1.00 0.00 N ATOM 1081 CA SER A 69 -0.817 49.700 -5.770 1.00 0.00 C ATOM 1082 C SER A 69 0.702 49.686 -5.949 1.00 0.00 C ATOM 1083 O SER A 69 1.278 50.572 -6.548 1.00 0.00 O ATOM 1084 CB SER A 69 -1.178 50.448 -4.485 1.00 0.00 C ATOM 1085 OG SER A 69 -2.532 50.184 -4.148 1.00 0.00 O ATOM 0 H SER A 69 -1.992 48.114 -4.954 1.00 0.00 H new ATOM 0 HA SER A 69 -1.284 50.203 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.522 50.135 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.028 51.519 -4.621 1.00 0.00 H new ATOM 0 HG SER A 69 -2.763 50.662 -3.324 1.00 0.00 H new ATOM 1091 N LYS A 70 1.350 48.676 -5.438 1.00 0.00 N ATOM 1092 CA LYS A 70 2.828 48.582 -5.580 1.00 0.00 C ATOM 1093 C LYS A 70 3.163 47.397 -6.487 1.00 0.00 C ATOM 1094 O LYS A 70 2.285 46.688 -6.938 1.00 0.00 O ATOM 1095 CB LYS A 70 3.454 48.369 -4.200 1.00 0.00 C ATOM 1096 CG LYS A 70 4.281 49.598 -3.824 1.00 0.00 C ATOM 1097 CD LYS A 70 3.394 50.606 -3.090 1.00 0.00 C ATOM 1098 CE LYS A 70 3.976 50.883 -1.703 1.00 0.00 C ATOM 1099 NZ LYS A 70 2.926 51.486 -0.835 1.00 0.00 N ATOM 0 H LYS A 70 0.916 47.908 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 70 3.222 49.500 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.675 48.200 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.085 47.480 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.119 49.306 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.703 50.054 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.329 51.533 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.380 50.216 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.342 49.957 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.829 51.557 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.321 51.674 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.597 52.378 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.126 50.827 -0.750 1.00 0.00 H new ATOM 1113 N PRO A 71 4.456 47.174 -6.760 1.00 0.00 N ATOM 1114 CA PRO A 71 4.899 46.068 -7.617 1.00 0.00 C ATOM 1115 C PRO A 71 4.668 44.709 -6.949 1.00 0.00 C ATOM 1116 O PRO A 71 4.404 44.625 -5.765 1.00 0.00 O ATOM 1117 CB PRO A 71 6.396 46.325 -7.791 1.00 0.00 C ATOM 1118 CG PRO A 71 6.780 47.122 -6.591 1.00 0.00 C ATOM 1119 CD PRO A 71 5.588 47.975 -6.259 1.00 0.00 C ATOM 0 HA PRO A 71 4.352 46.032 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.956 45.391 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.601 46.871 -8.712 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.038 46.470 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.655 47.738 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.509 48.159 -5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.640 48.949 -6.746 1.00 0.00 H new ATOM 1127 N LEU A 72 4.760 43.643 -7.697 1.00 0.00 N ATOM 1128 CA LEU A 72 4.539 42.294 -7.104 1.00 0.00 C ATOM 1129 C LEU A 72 5.883 41.654 -6.757 1.00 0.00 C ATOM 1130 O LEU A 72 6.860 41.809 -7.464 1.00 0.00 O ATOM 1131 CB LEU A 72 3.796 41.410 -8.108 1.00 0.00 C ATOM 1132 CG LEU A 72 2.619 42.188 -8.702 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.435 41.793 -10.169 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.345 41.860 -7.922 1.00 0.00 C ATOM 0 H LEU A 72 4.979 43.648 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 72 3.944 42.394 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.474 41.094 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.437 40.506 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 72 2.820 43.257 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.597 42.347 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.343 42.027 -10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.234 40.724 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.507 42.414 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.143 40.791 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.476 42.141 -6.877 1.00 0.00 H new ATOM 1146 N VAL A 73 5.937 40.932 -5.671 1.00 0.00 N ATOM 1147 CA VAL A 73 7.213 40.277 -5.271 1.00 0.00 C ATOM 1148 C VAL A 73 7.008 38.762 -5.215 1.00 0.00 C ATOM 1149 O VAL A 73 6.131 38.269 -4.532 1.00 0.00 O ATOM 1150 CB VAL A 73 7.638 40.788 -3.893 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.034 40.258 -3.560 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.663 42.318 -3.904 1.00 0.00 C ATOM 0 H VAL A 73 5.150 40.768 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 73 7.989 40.513 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 73 6.929 40.440 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.337 40.622 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.017 39.168 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.744 40.606 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.966 42.684 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.372 42.665 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.669 42.696 -4.142 1.00 0.00 H new ATOM 1162 N GLY A 74 7.809 38.020 -5.927 1.00 0.00 N ATOM 1163 CA GLY A 74 7.660 36.536 -5.917 1.00 0.00 C ATOM 1164 C GLY A 74 8.623 35.931 -4.893 1.00 0.00 C ATOM 1165 O GLY A 74 9.493 36.602 -4.374 1.00 0.00 O ATOM 0 H GLY A 74 8.561 38.376 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.633 36.265 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.867 36.133 -6.908 1.00 0.00 H new ATOM 1169 N PRO A 75 8.458 34.632 -4.598 1.00 0.00 N ATOM 1170 CA PRO A 75 7.414 33.802 -5.213 1.00 0.00 C ATOM 1171 C PRO A 75 6.012 34.225 -4.765 1.00 0.00 C ATOM 1172 O PRO A 75 5.807 34.668 -3.653 1.00 0.00 O ATOM 1173 CB PRO A 75 7.732 32.394 -4.714 1.00 0.00 C ATOM 1174 CG PRO A 75 8.477 32.610 -3.441 1.00 0.00 C ATOM 1175 CD PRO A 75 9.274 33.869 -3.637 1.00 0.00 C ATOM 0 HA PRO A 75 7.410 33.886 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.823 31.816 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.333 31.843 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.791 32.709 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.130 31.765 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.408 34.412 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.269 33.660 -4.029 1.00 0.00 H new ATOM 1183 N PHE A 76 5.050 34.102 -5.639 1.00 0.00 N ATOM 1184 CA PHE A 76 3.660 34.509 -5.293 1.00 0.00 C ATOM 1185 C PHE A 76 2.885 33.322 -4.719 1.00 0.00 C ATOM 1186 O PHE A 76 3.120 32.182 -5.070 1.00 0.00 O ATOM 1187 CB PHE A 76 2.959 34.995 -6.562 1.00 0.00 C ATOM 1188 CG PHE A 76 3.718 36.167 -7.134 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.704 37.400 -6.472 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.439 36.019 -8.325 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.411 38.487 -6.999 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.146 37.107 -8.853 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.132 38.339 -8.191 1.00 0.00 C ATOM 0 H PHE A 76 5.169 33.735 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 76 3.694 35.303 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.907 34.189 -7.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.933 35.287 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.147 37.513 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.450 35.068 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.401 39.438 -6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.702 36.994 -9.772 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.678 39.177 -8.599 1.00 0.00 H new ATOM 1203 N ASN A 77 1.948 33.586 -3.849 1.00 0.00 N ATOM 1204 CA ASN A 77 1.140 32.481 -3.263 1.00 0.00 C ATOM 1205 C ASN A 77 -0.299 32.599 -3.773 1.00 0.00 C ATOM 1206 O ASN A 77 -0.817 33.684 -3.942 1.00 0.00 O ATOM 1207 CB ASN A 77 1.157 32.589 -1.738 1.00 0.00 C ATOM 1208 CG ASN A 77 2.595 32.785 -1.257 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.352 31.838 -1.167 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.008 33.982 -0.944 1.00 0.00 N ATOM 0 H ASN A 77 1.708 34.521 -3.519 1.00 0.00 H new ATOM 0 HA ASN A 77 1.558 31.518 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.537 33.425 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.733 31.688 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.966 34.123 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.373 34.777 -1.020 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.951 31.497 -4.018 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.355 31.560 -4.519 1.00 0.00 C ATOM 1219 C PHE A 78 -3.218 30.554 -3.751 1.00 0.00 C ATOM 1220 O PHE A 78 -2.969 29.366 -3.781 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.386 31.203 -6.007 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.669 32.260 -6.816 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.292 32.150 -7.051 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.383 33.343 -7.345 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.369 33.122 -7.812 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.722 34.314 -8.108 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.346 34.204 -8.342 1.00 0.00 C ATOM 0 H PHE A 78 -0.575 30.557 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.742 32.569 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.915 30.233 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.418 31.115 -6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.260 31.315 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.444 33.429 -7.164 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.431 33.038 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.274 35.148 -8.516 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.164 34.952 -8.930 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.241 31.010 -3.076 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.112 30.055 -2.330 1.00 0.00 C ATOM 1239 C ARG A 79 -6.374 29.797 -3.155 1.00 0.00 C ATOM 1240 O ARG A 79 -6.892 30.679 -3.810 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.486 30.635 -0.964 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.147 29.548 -0.113 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.370 30.078 1.305 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.112 29.064 2.105 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.776 29.431 3.166 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -8.946 29.996 3.042 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.270 29.234 4.354 1.00 0.00 N ATOM 0 H ARG A 79 -4.509 31.992 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.577 29.119 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.596 31.014 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.166 31.478 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.098 29.252 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.517 28.659 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.412 30.299 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.931 31.012 1.271 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.101 28.084 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.342 30.151 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.465 30.283 3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.355 28.793 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.789 29.521 5.184 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.853 28.584 -3.155 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.056 28.257 -3.968 1.00 0.00 C ATOM 1263 C PHE A 80 -9.155 27.632 -3.108 1.00 0.00 C ATOM 1264 O PHE A 80 -8.893 26.845 -2.224 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.659 27.243 -5.035 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.122 27.965 -6.247 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.015 28.812 -6.122 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.729 27.787 -7.495 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.515 29.481 -7.245 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.228 28.457 -8.619 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.120 29.304 -8.493 1.00 0.00 C ATOM 0 H PHE A 80 -6.462 27.804 -2.626 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.434 29.179 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.904 26.562 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.521 26.637 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.546 28.949 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.583 27.133 -7.592 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.661 30.135 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.696 28.320 -9.582 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.733 29.820 -9.359 1.00 0.00 H new ATOM 1281 N MET A 81 -10.388 27.953 -3.389 1.00 0.00 N ATOM 1282 CA MET A 81 -11.512 27.350 -2.619 1.00 0.00 C ATOM 1283 C MET A 81 -12.468 26.687 -3.612 1.00 0.00 C ATOM 1284 O MET A 81 -12.937 27.306 -4.545 1.00 0.00 O ATOM 1285 CB MET A 81 -12.244 28.426 -1.815 1.00 0.00 C ATOM 1286 CG MET A 81 -13.580 27.871 -1.320 1.00 0.00 C ATOM 1287 SD MET A 81 -14.443 29.139 -0.360 1.00 0.00 S ATOM 1288 CE MET A 81 -14.411 28.277 1.231 1.00 0.00 C ATOM 0 H MET A 81 -10.666 28.608 -4.120 1.00 0.00 H new ATOM 0 HA MET A 81 -11.129 26.610 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.633 28.742 -0.969 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.411 29.307 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.193 27.561 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.413 26.986 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.409 28.285 1.669 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.089 27.247 1.080 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.716 28.780 1.903 1.00 0.00 H new ATOM 1298 N SER A 82 -12.735 25.420 -3.432 1.00 0.00 N ATOM 1299 CA SER A 82 -13.630 24.707 -4.382 1.00 0.00 C ATOM 1300 C SER A 82 -15.075 25.162 -4.184 1.00 0.00 C ATOM 1301 O SER A 82 -15.507 25.420 -3.076 1.00 0.00 O ATOM 1302 CB SER A 82 -13.545 23.201 -4.126 1.00 0.00 C ATOM 1303 OG SER A 82 -14.398 22.860 -3.044 1.00 0.00 O ATOM 0 H SER A 82 -12.371 24.851 -2.668 1.00 0.00 H new ATOM 0 HA SER A 82 -13.316 24.933 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.837 22.651 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.518 22.917 -3.898 1.00 0.00 H new ATOM 0 HG SER A 82 -15.163 22.348 -3.380 1.00 0.00 H new ATOM 1309 N LYS A 83 -15.834 25.240 -5.240 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.257 25.658 -5.106 1.00 0.00 C ATOM 1311 C LYS A 83 -17.917 24.817 -4.007 1.00 0.00 C ATOM 1312 O LYS A 83 -18.635 25.325 -3.168 1.00 0.00 O ATOM 1313 CB LYS A 83 -17.973 25.438 -6.442 1.00 0.00 C ATOM 1314 CG LYS A 83 -19.433 25.057 -6.196 1.00 0.00 C ATOM 1315 CD LYS A 83 -20.216 25.201 -7.501 1.00 0.00 C ATOM 1316 CE LYS A 83 -21.422 26.114 -7.275 1.00 0.00 C ATOM 1317 NZ LYS A 83 -22.582 25.609 -8.063 1.00 0.00 N ATOM 0 H LYS A 83 -15.530 25.032 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.320 26.713 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.922 26.345 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.473 24.651 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.497 24.032 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.864 25.698 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -19.574 25.615 -8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -20.547 24.222 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.675 26.145 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -21.181 27.134 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.402 26.230 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.338 25.601 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.816 24.643 -7.756 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.675 23.533 -4.008 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.283 22.648 -2.968 1.00 0.00 C ATOM 1333 C GLY A 84 -17.937 23.163 -1.565 1.00 0.00 C ATOM 1334 O GLY A 84 -18.376 22.618 -0.571 1.00 0.00 O ATOM 0 H GLY A 84 -17.081 23.056 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.365 22.616 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -17.918 21.628 -3.089 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.167 24.214 -1.473 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.814 24.765 -0.133 1.00 0.00 C ATOM 1340 C GLY A 85 -15.491 24.168 0.345 1.00 0.00 C ATOM 1341 O GLY A 85 -15.227 24.094 1.529 1.00 0.00 O ATOM 0 H GLY A 85 -16.768 24.714 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.734 25.851 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.604 24.538 0.582 1.00 0.00 H new ATOM 1345 N MET A 86 -14.651 23.749 -0.560 1.00 0.00 N ATOM 1346 CA MET A 86 -13.344 23.170 -0.140 1.00 0.00 C ATOM 1347 C MET A 86 -12.257 24.228 -0.313 1.00 0.00 C ATOM 1348 O MET A 86 -12.345 25.082 -1.169 1.00 0.00 O ATOM 1349 CB MET A 86 -13.018 21.946 -1.000 1.00 0.00 C ATOM 1350 CG MET A 86 -14.240 21.026 -1.052 1.00 0.00 C ATOM 1351 SD MET A 86 -13.815 19.507 -1.940 1.00 0.00 S ATOM 1352 CE MET A 86 -12.412 19.021 -0.905 1.00 0.00 C ATOM 0 H MET A 86 -14.811 23.782 -1.567 1.00 0.00 H new ATOM 0 HA MET A 86 -13.396 22.862 0.904 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.740 22.258 -2.007 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.164 21.412 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 86 -14.573 20.788 -0.042 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.068 21.531 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.324 17.935 -0.898 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.496 19.456 -1.305 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.569 19.379 0.112 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.243 24.199 0.503 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.174 25.227 0.380 1.00 0.00 C ATOM 1364 C ARG A 87 -8.826 24.561 0.099 1.00 0.00 C ATOM 1365 O ARG A 87 -8.458 23.586 0.723 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.083 26.021 1.685 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.342 26.874 1.853 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.240 27.684 3.146 1.00 0.00 C ATOM 1369 NE ARG A 87 -12.560 27.680 3.839 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.943 26.627 4.506 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.195 25.557 4.527 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -14.077 26.642 5.154 1.00 0.00 N ATOM 0 H ARG A 87 -11.108 23.513 1.246 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.418 25.895 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.976 25.341 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.198 26.658 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.457 27.543 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.226 26.236 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.475 27.258 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.937 28.707 2.924 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.164 28.501 3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.309 25.544 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.496 24.734 5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.662 27.477 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.377 25.819 5.676 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.077 25.105 -0.821 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.738 24.537 -1.134 1.00 0.00 C ATOM 1388 C ASN A 88 -5.744 25.694 -1.228 1.00 0.00 C ATOM 1389 O ASN A 88 -6.057 26.746 -1.745 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.787 23.779 -2.462 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.837 22.669 -2.378 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.974 22.863 -2.763 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.504 21.508 -1.888 1.00 0.00 N ATOM 0 H ASN A 88 -8.338 25.923 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.433 23.839 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.030 24.463 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.809 23.353 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.197 20.762 -1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.550 21.345 -1.565 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.559 25.523 -0.719 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.571 26.634 -0.771 1.00 0.00 C ATOM 1402 C VAL A 89 -2.298 26.178 -1.481 1.00 0.00 C ATOM 1403 O VAL A 89 -1.785 25.105 -1.234 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.226 27.070 0.655 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.525 28.429 0.618 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.510 27.179 1.479 1.00 0.00 C ATOM 0 H VAL A 89 -4.232 24.667 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.004 27.469 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.564 26.333 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.279 28.739 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.610 28.350 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.186 29.167 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.265 27.489 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.173 27.915 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.008 26.210 1.506 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.773 26.999 -2.348 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.521 26.630 -3.060 1.00 0.00 C ATOM 1418 C PHE A 90 0.529 27.705 -2.784 1.00 0.00 C ATOM 1419 O PHE A 90 0.334 28.868 -3.075 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.781 26.539 -4.566 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.992 25.672 -4.819 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -2.201 24.519 -4.054 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -2.903 26.024 -5.822 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.324 23.716 -4.293 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.025 25.222 -6.060 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.236 24.069 -5.296 1.00 0.00 C ATOM 0 H PHE A 90 -2.159 27.911 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.168 25.661 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.942 27.535 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.090 26.121 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.498 24.248 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.740 26.914 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.486 22.825 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.728 25.493 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.102 23.451 -5.480 1.00 0.00 H new ATOM 1436 N ASP A 91 1.640 27.328 -2.215 1.00 0.00 N ATOM 1437 CA ASP A 91 2.694 28.333 -1.912 1.00 0.00 C ATOM 1438 C ASP A 91 3.762 28.304 -3.003 1.00 0.00 C ATOM 1439 O ASP A 91 4.054 27.275 -3.578 1.00 0.00 O ATOM 1440 CB ASP A 91 3.336 28.012 -0.561 1.00 0.00 C ATOM 1441 CG ASP A 91 2.360 28.357 0.566 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.373 29.017 0.286 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.617 27.956 1.689 1.00 0.00 O ATOM 0 H ASP A 91 1.863 26.369 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 91 2.244 29.325 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.602 26.956 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.260 28.579 -0.442 1.00 0.00 H new ATOM 1448 N GLU A 92 4.353 29.431 -3.285 1.00 0.00 N ATOM 1449 CA GLU A 92 5.412 29.483 -4.328 1.00 0.00 C ATOM 1450 C GLU A 92 4.893 28.887 -5.638 1.00 0.00 C ATOM 1451 O GLU A 92 5.542 28.056 -6.244 1.00 0.00 O ATOM 1452 CB GLU A 92 6.623 28.680 -3.856 1.00 0.00 C ATOM 1453 CG GLU A 92 6.955 29.060 -2.412 1.00 0.00 C ATOM 1454 CD GLU A 92 8.244 28.354 -1.983 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.646 27.429 -2.670 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.807 28.752 -0.977 1.00 0.00 O ATOM 0 H GLU A 92 4.146 30.323 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 92 5.695 30.522 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.414 27.612 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.479 28.879 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.073 30.140 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.135 28.776 -1.752 1.00 0.00 H new ATOM 1463 N VAL A 93 3.742 29.302 -6.095 1.00 0.00 N ATOM 1464 CA VAL A 93 3.217 28.752 -7.375 1.00 0.00 C ATOM 1465 C VAL A 93 3.944 29.427 -8.539 1.00 0.00 C ATOM 1466 O VAL A 93 4.190 28.824 -9.565 1.00 0.00 O ATOM 1467 CB VAL A 93 1.716 29.032 -7.478 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.230 28.692 -8.887 1.00 0.00 C ATOM 1469 CG2 VAL A 93 0.965 28.173 -6.458 1.00 0.00 C ATOM 0 H VAL A 93 3.147 29.994 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 93 3.383 27.675 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 93 1.528 30.086 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.161 28.891 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.764 29.304 -9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.418 27.638 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.104 28.372 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.152 27.119 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.311 28.415 -5.453 1.00 0.00 H new ATOM 1479 N ILE A 94 4.296 30.674 -8.384 1.00 0.00 N ATOM 1480 CA ILE A 94 5.011 31.389 -9.476 1.00 0.00 C ATOM 1481 C ILE A 94 6.121 32.247 -8.865 1.00 0.00 C ATOM 1482 O ILE A 94 5.881 33.057 -7.992 1.00 0.00 O ATOM 1483 CB ILE A 94 4.022 32.277 -10.234 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.917 31.403 -10.833 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.755 33.016 -11.355 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.896 32.285 -11.556 1.00 0.00 C ATOM 0 H ILE A 94 4.118 31.228 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 94 5.448 30.670 -10.170 1.00 0.00 H new ATOM 0 HB ILE A 94 3.583 33.004 -9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.347 30.683 -11.529 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.425 30.831 -10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.051 33.649 -11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.544 33.634 -10.928 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.193 32.292 -12.042 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.111 31.659 -11.981 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.456 32.988 -10.848 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.392 32.837 -12.354 1.00 0.00 H new ATOM 1498 N PRO A 95 7.365 32.050 -9.326 1.00 0.00 N ATOM 1499 CA PRO A 95 8.525 32.792 -8.817 1.00 0.00 C ATOM 1500 C PRO A 95 8.470 34.275 -9.189 1.00 0.00 C ATOM 1501 O PRO A 95 7.736 34.681 -10.069 1.00 0.00 O ATOM 1502 CB PRO A 95 9.713 32.118 -9.503 1.00 0.00 C ATOM 1503 CG PRO A 95 9.136 31.519 -10.740 1.00 0.00 C ATOM 1504 CD PRO A 95 7.740 31.093 -10.381 1.00 0.00 C ATOM 0 HA PRO A 95 8.576 32.768 -7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.497 32.838 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.161 31.357 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.126 32.242 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.730 30.668 -11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.067 31.151 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.711 30.064 -10.022 1.00 0.00 H new ATOM 1512 N THR A 96 9.242 35.087 -8.518 1.00 0.00 N ATOM 1513 CA THR A 96 9.239 36.546 -8.816 1.00 0.00 C ATOM 1514 C THR A 96 9.419 36.769 -10.318 1.00 0.00 C ATOM 1515 O THR A 96 8.747 37.588 -10.914 1.00 0.00 O ATOM 1516 CB THR A 96 10.385 37.221 -8.062 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.405 36.756 -6.720 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.181 38.737 -8.075 1.00 0.00 C ATOM 0 H THR A 96 9.877 34.800 -7.773 1.00 0.00 H new ATOM 0 HA THR A 96 8.288 36.975 -8.500 1.00 0.00 H new ATOM 0 HB THR A 96 11.332 36.979 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.140 37.187 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.998 39.219 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.165 39.093 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.235 38.981 -7.592 1.00 0.00 H new ATOM 1526 N ALA A 97 10.321 36.058 -10.939 1.00 0.00 N ATOM 1527 CA ALA A 97 10.528 36.255 -12.400 1.00 0.00 C ATOM 1528 C ALA A 97 9.785 35.165 -13.173 1.00 0.00 C ATOM 1529 O ALA A 97 10.221 34.034 -13.244 1.00 0.00 O ATOM 1530 CB ALA A 97 12.021 36.186 -12.722 1.00 0.00 C ATOM 0 H ALA A 97 10.918 35.356 -10.502 1.00 0.00 H new ATOM 0 HA ALA A 97 10.142 37.232 -12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.169 36.331 -13.792 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.548 36.967 -12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.412 35.211 -12.430 1.00 0.00 H new ATOM 1536 N PHE A 98 8.666 35.495 -13.757 1.00 0.00 N ATOM 1537 CA PHE A 98 7.901 34.475 -14.526 1.00 0.00 C ATOM 1538 C PHE A 98 7.959 34.821 -16.014 1.00 0.00 C ATOM 1539 O PHE A 98 8.211 35.949 -16.389 1.00 0.00 O ATOM 1540 CB PHE A 98 6.443 34.466 -14.060 1.00 0.00 C ATOM 1541 CG PHE A 98 5.835 35.831 -14.276 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.026 36.842 -13.325 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.078 36.088 -15.426 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.461 38.106 -13.524 1.00 0.00 C ATOM 1545 CE2 PHE A 98 4.513 37.353 -15.625 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.704 38.362 -14.674 1.00 0.00 C ATOM 0 H PHE A 98 8.249 36.426 -13.735 1.00 0.00 H new ATOM 0 HA PHE A 98 8.337 33.490 -14.360 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.879 33.714 -14.611 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.389 34.195 -13.006 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.610 36.645 -12.438 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.930 35.309 -16.160 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.609 38.885 -12.790 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.930 37.550 -16.512 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.268 39.338 -14.827 1.00 0.00 H new ATOM 1556 N SER A 99 7.727 33.861 -16.866 1.00 0.00 N ATOM 1557 CA SER A 99 7.772 34.142 -18.327 1.00 0.00 C ATOM 1558 C SER A 99 6.352 34.120 -18.888 1.00 0.00 C ATOM 1559 O SER A 99 5.409 33.766 -18.209 1.00 0.00 O ATOM 1560 CB SER A 99 8.617 33.076 -19.027 1.00 0.00 C ATOM 1561 OG SER A 99 9.995 33.370 -18.848 1.00 0.00 O ATOM 0 H SER A 99 7.509 32.897 -16.614 1.00 0.00 H new ATOM 0 HA SER A 99 8.216 35.123 -18.498 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.389 32.091 -18.620 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.376 33.046 -20.090 1.00 0.00 H new ATOM 0 HG SER A 99 10.536 32.686 -19.295 1.00 0.00 H new ATOM 1567 N ILE A 100 6.192 34.495 -20.126 1.00 0.00 N ATOM 1568 CA ILE A 100 4.831 34.491 -20.729 1.00 0.00 C ATOM 1569 C ILE A 100 4.700 33.293 -21.670 1.00 0.00 C ATOM 1570 O ILE A 100 5.586 33.004 -22.449 1.00 0.00 O ATOM 1571 CB ILE A 100 4.614 35.786 -21.514 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.683 36.980 -20.558 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.240 35.749 -22.186 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.416 37.027 -19.703 1.00 0.00 C ATOM 0 H ILE A 100 6.942 34.803 -20.745 1.00 0.00 H new ATOM 0 HA ILE A 100 4.082 34.419 -19.940 1.00 0.00 H new ATOM 0 HB ILE A 100 5.389 35.885 -22.275 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.562 36.897 -19.919 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.787 37.906 -21.124 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.084 36.671 -22.746 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.190 34.899 -22.866 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.465 35.651 -21.425 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.467 37.878 -19.023 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.545 37.131 -20.349 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.332 36.106 -19.126 1.00 0.00 H new ATOM 1586 N GLY A 101 3.600 32.596 -21.609 1.00 0.00 N ATOM 1587 CA GLY A 101 3.414 31.424 -22.508 1.00 0.00 C ATOM 1588 C GLY A 101 3.790 30.137 -21.768 1.00 0.00 C ATOM 1589 O GLY A 101 3.828 29.072 -22.349 1.00 0.00 O ATOM 0 H GLY A 101 2.823 32.787 -20.976 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.378 31.372 -22.843 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.032 31.536 -23.399 1.00 0.00 H new ATOM 1593 N LYS A 102 4.066 30.220 -20.493 1.00 0.00 N ATOM 1594 CA LYS A 102 4.434 28.986 -19.743 1.00 0.00 C ATOM 1595 C LYS A 102 3.388 28.722 -18.657 1.00 0.00 C ATOM 1596 O LYS A 102 2.888 29.636 -18.034 1.00 0.00 O ATOM 1597 CB LYS A 102 5.811 29.166 -19.099 1.00 0.00 C ATOM 1598 CG LYS A 102 6.394 27.797 -18.748 1.00 0.00 C ATOM 1599 CD LYS A 102 7.581 27.974 -17.799 1.00 0.00 C ATOM 1600 CE LYS A 102 8.095 26.601 -17.364 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.275 26.225 -18.191 1.00 0.00 N ATOM 0 H LYS A 102 4.053 31.080 -19.944 1.00 0.00 H new ATOM 0 HA LYS A 102 4.468 28.140 -20.429 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.478 29.692 -19.782 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.727 29.778 -18.201 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.631 27.174 -18.281 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.713 27.283 -19.655 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.376 28.532 -18.294 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.280 28.554 -16.927 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.369 26.621 -16.309 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.308 25.855 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.624 25.291 -17.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.999 26.189 -19.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.027 26.932 -18.064 1.00 0.00 H new ATOM 1615 N THR A 103 3.046 27.482 -18.427 1.00 0.00 N ATOM 1616 CA THR A 103 2.027 27.184 -17.381 1.00 0.00 C ATOM 1617 C THR A 103 2.706 27.178 -16.011 1.00 0.00 C ATOM 1618 O THR A 103 3.917 27.205 -15.919 1.00 0.00 O ATOM 1619 CB THR A 103 1.408 25.809 -17.648 1.00 0.00 C ATOM 1620 OG1 THR A 103 0.919 25.762 -18.981 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.257 25.565 -16.671 1.00 0.00 C ATOM 0 H THR A 103 3.425 26.670 -18.914 1.00 0.00 H new ATOM 0 HA THR A 103 1.245 27.943 -17.402 1.00 0.00 H new ATOM 0 HB THR A 103 2.166 25.037 -17.511 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.524 24.882 -19.154 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.182 24.586 -16.863 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.634 25.600 -15.649 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.503 26.335 -16.804 1.00 0.00 H new ATOM 1629 N TYR A 104 1.957 27.131 -14.945 1.00 0.00 N ATOM 1630 CA TYR A 104 2.596 27.111 -13.601 1.00 0.00 C ATOM 1631 C TYR A 104 1.686 26.366 -12.620 1.00 0.00 C ATOM 1632 O TYR A 104 0.728 26.908 -12.109 1.00 0.00 O ATOM 1633 CB TYR A 104 2.828 28.545 -13.129 1.00 0.00 C ATOM 1634 CG TYR A 104 4.141 29.033 -13.690 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.344 28.575 -13.140 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.158 29.931 -14.764 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.565 29.019 -13.661 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.381 30.374 -15.288 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.583 29.918 -14.735 1.00 0.00 C ATOM 1640 OH TYR A 104 7.788 30.355 -15.250 1.00 0.00 O ATOM 0 H TYR A 104 0.937 27.106 -14.946 1.00 0.00 H new ATOM 0 HA TYR A 104 3.556 26.598 -13.652 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.013 29.188 -13.461 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.844 28.586 -12.040 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.330 27.879 -12.314 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.229 30.282 -15.189 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.493 28.668 -13.235 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.395 31.066 -16.117 1.00 0.00 H new ATOM 0 HH TYR A 104 7.622 30.973 -15.992 1.00 0.00 H new ATOM 1650 N LYS A 105 1.981 25.121 -12.364 1.00 0.00 N ATOM 1651 CA LYS A 105 1.137 24.321 -11.428 1.00 0.00 C ATOM 1652 C LYS A 105 1.583 24.576 -9.987 1.00 0.00 C ATOM 1653 O LYS A 105 2.743 24.826 -9.725 1.00 0.00 O ATOM 1654 CB LYS A 105 1.304 22.833 -11.749 1.00 0.00 C ATOM 1655 CG LYS A 105 -0.041 22.244 -12.179 1.00 0.00 C ATOM 1656 CD LYS A 105 0.118 20.744 -12.440 1.00 0.00 C ATOM 1657 CE LYS A 105 1.349 20.505 -13.316 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.378 19.081 -13.754 1.00 0.00 N ATOM 0 H LYS A 105 2.774 24.620 -12.764 1.00 0.00 H new ATOM 0 HA LYS A 105 0.093 24.612 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.039 22.703 -12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.681 22.303 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.788 22.412 -11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.398 22.745 -13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.221 20.209 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.773 20.353 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 105 1.324 21.163 -14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.256 20.744 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.215 18.918 -14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.421 18.462 -12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.518 18.868 -14.299 1.00 0.00 H new ATOM 1672 N PRO A 106 0.642 24.503 -9.030 1.00 0.00 N ATOM 1673 CA PRO A 106 0.949 24.720 -7.612 1.00 0.00 C ATOM 1674 C PRO A 106 1.737 23.548 -7.021 1.00 0.00 C ATOM 1675 O PRO A 106 1.283 22.421 -7.020 1.00 0.00 O ATOM 1676 CB PRO A 106 -0.425 24.806 -6.953 1.00 0.00 C ATOM 1677 CG PRO A 106 -1.331 24.041 -7.859 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.789 24.207 -9.252 1.00 0.00 C ATOM 0 HA PRO A 106 1.564 25.607 -7.458 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.411 24.375 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.750 25.841 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.361 22.988 -7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.352 24.417 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.925 23.303 -9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.289 25.017 -9.784 1.00 0.00 H new ATOM 1686 N GLU A 107 2.914 23.803 -6.523 1.00 0.00 N ATOM 1687 CA GLU A 107 3.728 22.701 -5.940 1.00 0.00 C ATOM 1688 C GLU A 107 3.025 22.145 -4.699 1.00 0.00 C ATOM 1689 O GLU A 107 2.423 21.090 -4.737 1.00 0.00 O ATOM 1690 CB GLU A 107 5.107 23.236 -5.554 1.00 0.00 C ATOM 1691 CG GLU A 107 5.854 23.671 -6.816 1.00 0.00 C ATOM 1692 CD GLU A 107 7.271 24.114 -6.445 1.00 0.00 C ATOM 1693 OE1 GLU A 107 7.583 24.102 -5.266 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.019 24.453 -7.346 1.00 0.00 O ATOM 0 H GLU A 107 3.347 24.726 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 107 3.842 21.905 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.004 24.079 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.674 22.467 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.894 22.848 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.322 24.488 -7.302 1.00 0.00 H new ATOM 1701 N GLU A 108 3.098 22.842 -3.599 1.00 0.00 N ATOM 1702 CA GLU A 108 2.433 22.346 -2.360 1.00 0.00 C ATOM 1703 C GLU A 108 0.916 22.476 -2.507 1.00 0.00 C ATOM 1704 O GLU A 108 0.446 23.595 -2.641 1.00 0.00 O ATOM 1705 CB GLU A 108 2.903 23.175 -1.162 1.00 0.00 C ATOM 1706 CG GLU A 108 2.798 22.333 0.111 1.00 0.00 C ATOM 1707 CD GLU A 108 3.330 23.136 1.300 1.00 0.00 C ATOM 1708 OE1 GLU A 108 3.824 24.229 1.077 1.00 0.00 O ATOM 1709 OE2 GLU A 108 3.236 22.644 2.412 1.00 0.00 O ATOM 1710 OXT GLU A 108 0.249 21.455 -2.485 1.00 0.00 O ATOM 0 H GLU A 108 3.588 23.732 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 108 2.693 21.299 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.932 23.500 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.295 24.075 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.761 22.048 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.368 21.411 -0.002 1.00 0.00 H new TER 1717 GLU A 108