USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot -62:sc= 0.855 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.76 K(o=1.6,f=-0.14) USER MOD Set 1.4: A 113 MET CE :methyl -126:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 ASN : amide:sc= 0 X(o=0,f=0.073) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 81 THR OG1 : rot -107:sc= 0.964 USER MOD Set 3.2: A 93 THR OG1 : rot -120:sc= 0.837 USER MOD Set 4.1: A 19 MET CE :methyl 177:sc=-0.00383 (180deg=-0.0301) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.034) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 40:sc= 0.0083 USER MOD Single : A 4 SER OG : rot 38:sc= 0.0141 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -30:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.0376 X(o=0.038,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.025) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.027) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0242 K(o=-0.024,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.08) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -70:sc= 0.915 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.428 K(o=0.43,f=-1) USER MOD Single : A 69 CYS SG : rot -120:sc= 0.778 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 0.0524 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0058 X(o=-0.0058,f=-0.027) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.00706 (180deg=0.00204) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 47:sc= -0.18 USER MOD Single : A 121 LYS NZ :NH3+ -122:sc= 0.0599 (180deg=-0.167) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 12.461 -9.404 -3.843 1.00 0.00 N ATOM 2 CA SER A 2 11.836 -10.095 -2.706 1.00 0.00 C ATOM 3 C SER A 2 10.877 -9.126 -1.974 1.00 0.00 C ATOM 4 O SER A 2 11.283 -8.053 -1.510 1.00 0.00 O ATOM 5 CB SER A 2 12.899 -10.669 -1.745 1.00 0.00 C ATOM 6 OG SER A 2 13.689 -11.667 -2.382 1.00 0.00 O ATOM 0 HA SER A 2 11.260 -10.940 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.543 -9.865 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.409 -11.095 -0.870 1.00 0.00 H new ATOM 0 HG SER A 2 13.879 -11.395 -3.304 1.00 0.00 H new ATOM 12 N PHE A 3 9.602 -9.535 -1.860 1.00 0.00 N ATOM 13 CA PHE A 3 8.524 -8.707 -1.245 1.00 0.00 C ATOM 14 C PHE A 3 8.587 -8.454 0.293 1.00 0.00 C ATOM 15 O PHE A 3 7.990 -7.466 0.728 1.00 0.00 O ATOM 16 CB PHE A 3 7.139 -9.289 -1.643 1.00 0.00 C ATOM 17 CG PHE A 3 6.636 -8.893 -3.039 1.00 0.00 C ATOM 18 CD1 PHE A 3 5.951 -7.686 -3.212 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.824 -9.743 -4.135 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.460 -7.335 -4.465 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.327 -9.388 -5.385 1.00 0.00 C ATOM 22 CZ PHE A 3 5.647 -8.185 -5.548 1.00 0.00 C ATOM 0 H PHE A 3 9.279 -10.445 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 3 8.690 -7.712 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.191 -10.376 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.403 -8.968 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.803 -7.025 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.355 -10.675 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.933 -6.401 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.469 -10.046 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.263 -7.911 -6.520 1.00 0.00 H new ATOM 32 N SER A 4 9.283 -9.277 1.110 1.00 0.00 N ATOM 33 CA SER A 4 9.438 -9.023 2.565 1.00 0.00 C ATOM 34 C SER A 4 10.325 -7.780 2.852 1.00 0.00 C ATOM 35 O SER A 4 11.510 -7.739 2.507 1.00 0.00 O ATOM 36 CB SER A 4 9.934 -10.280 3.297 1.00 0.00 C ATOM 37 OG SER A 4 11.144 -10.803 2.756 1.00 0.00 O ATOM 0 H SER A 4 9.748 -10.125 0.787 1.00 0.00 H new ATOM 0 HA SER A 4 8.451 -8.787 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.087 -10.043 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.162 -11.048 3.252 1.00 0.00 H new ATOM 0 HG SER A 4 11.727 -10.064 2.485 1.00 0.00 H new ATOM 43 N GLY A 5 9.686 -6.763 3.442 1.00 0.00 N ATOM 44 CA GLY A 5 10.279 -5.419 3.570 1.00 0.00 C ATOM 45 C GLY A 5 9.264 -4.328 3.970 1.00 0.00 C ATOM 46 O GLY A 5 8.043 -4.513 3.935 1.00 0.00 O ATOM 0 H GLY A 5 8.751 -6.843 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.075 -5.452 4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.740 -5.143 2.622 1.00 0.00 H new ATOM 50 N LYS A 6 9.825 -3.168 4.340 1.00 0.00 N ATOM 51 CA LYS A 6 9.046 -2.000 4.833 1.00 0.00 C ATOM 52 C LYS A 6 9.454 -0.787 3.959 1.00 0.00 C ATOM 53 O LYS A 6 10.574 -0.279 4.064 1.00 0.00 O ATOM 54 CB LYS A 6 9.280 -1.749 6.351 1.00 0.00 C ATOM 55 CG LYS A 6 8.742 -2.840 7.312 1.00 0.00 C ATOM 56 CD LYS A 6 9.742 -3.971 7.653 1.00 0.00 C ATOM 57 CE LYS A 6 9.117 -5.183 8.373 1.00 0.00 C ATOM 58 NZ LYS A 6 8.274 -6.006 7.483 1.00 0.00 N ATOM 0 H LYS A 6 10.831 -3.003 4.310 1.00 0.00 H new ATOM 0 HA LYS A 6 7.975 -2.182 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.351 -1.641 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.818 -0.799 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.429 -2.362 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.852 -3.286 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.210 -4.315 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.534 -3.561 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.912 -5.803 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.516 -4.831 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.880 -6.805 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.497 -5.426 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.850 -6.367 6.696 1.00 0.00 H new ATOM 72 N TYR A 7 8.551 -0.367 3.059 1.00 0.00 N ATOM 73 CA TYR A 7 8.910 0.461 1.876 1.00 0.00 C ATOM 74 C TYR A 7 8.410 1.916 2.100 1.00 0.00 C ATOM 75 O TYR A 7 7.216 2.187 1.943 1.00 0.00 O ATOM 76 CB TYR A 7 8.302 -0.160 0.578 1.00 0.00 C ATOM 77 CG TYR A 7 8.736 -1.591 0.178 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.077 -2.703 0.721 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.755 -1.797 -0.756 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.451 -3.992 0.358 1.00 0.00 C ATOM 81 CE2 TYR A 7 10.117 -3.090 -1.132 1.00 0.00 C ATOM 82 CZ TYR A 7 9.471 -4.187 -0.563 1.00 0.00 C ATOM 83 OH TYR A 7 9.870 -5.458 -0.879 1.00 0.00 O ATOM 0 H TYR A 7 7.556 -0.585 3.121 1.00 0.00 H new ATOM 0 HA TYR A 7 9.993 0.482 1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.217 -0.159 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.541 0.505 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.273 -2.557 1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.265 -0.949 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.947 -4.842 0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.897 -3.242 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 7 9.733 -6.045 -0.107 1.00 0.00 H new ATOM 93 N GLN A 8 9.313 2.852 2.461 1.00 0.00 N ATOM 94 CA GLN A 8 8.930 4.259 2.785 1.00 0.00 C ATOM 95 C GLN A 8 9.076 5.194 1.550 1.00 0.00 C ATOM 96 O GLN A 8 10.017 5.084 0.758 1.00 0.00 O ATOM 97 CB GLN A 8 9.716 4.758 4.025 1.00 0.00 C ATOM 98 CG GLN A 8 9.207 6.110 4.586 1.00 0.00 C ATOM 99 CD GLN A 8 9.749 6.489 5.973 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.942 6.384 6.261 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.880 6.964 6.851 1.00 0.00 N ATOM 0 H GLN A 8 10.313 2.667 2.538 1.00 0.00 H new ATOM 0 HA GLN A 8 7.872 4.283 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.655 4.004 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.769 4.858 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.471 6.899 3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.119 6.078 4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.895 7.046 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.196 7.248 7.778 1.00 0.00 H new ATOM 110 N LEU A 9 8.120 6.132 1.426 1.00 0.00 N ATOM 111 CA LEU A 9 7.901 6.942 0.202 1.00 0.00 C ATOM 112 C LEU A 9 9.055 7.935 -0.128 1.00 0.00 C ATOM 113 O LEU A 9 9.462 8.752 0.701 1.00 0.00 O ATOM 114 CB LEU A 9 6.545 7.673 0.399 1.00 0.00 C ATOM 115 CG LEU A 9 5.963 8.475 -0.800 1.00 0.00 C ATOM 116 CD1 LEU A 9 5.512 7.563 -1.958 1.00 0.00 C ATOM 117 CD2 LEU A 9 4.801 9.361 -0.303 1.00 0.00 C ATOM 0 H LEU A 9 7.468 6.356 2.178 1.00 0.00 H new ATOM 0 HA LEU A 9 7.883 6.283 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.805 6.929 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.656 8.361 1.237 1.00 0.00 H new ATOM 0 HG LEU A 9 6.756 9.105 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.114 8.174 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.364 6.988 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.739 6.881 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.390 9.925 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.022 8.732 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.169 10.053 0.455 1.00 0.00 H new ATOM 129 N GLN A 10 9.520 7.852 -1.382 1.00 0.00 N ATOM 130 CA GLN A 10 10.449 8.834 -1.998 1.00 0.00 C ATOM 131 C GLN A 10 9.663 9.916 -2.803 1.00 0.00 C ATOM 132 O GLN A 10 9.761 11.099 -2.468 1.00 0.00 O ATOM 133 CB GLN A 10 11.510 8.140 -2.896 1.00 0.00 C ATOM 134 CG GLN A 10 12.443 7.131 -2.192 1.00 0.00 C ATOM 135 CD GLN A 10 13.657 6.774 -3.061 1.00 0.00 C ATOM 136 OE1 GLN A 10 14.730 7.361 -2.930 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.513 5.835 -3.981 1.00 0.00 N ATOM 0 H GLN A 10 9.263 7.093 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 10 10.982 9.329 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.991 7.622 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.126 8.912 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.784 7.551 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.886 6.224 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.620 5.353 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.295 5.592 -4.589 1.00 0.00 H new ATOM 146 N SER A 11 8.931 9.512 -3.868 1.00 0.00 N ATOM 147 CA SER A 11 8.302 10.448 -4.840 1.00 0.00 C ATOM 148 C SER A 11 6.884 9.940 -5.215 1.00 0.00 C ATOM 149 O SER A 11 6.687 8.752 -5.486 1.00 0.00 O ATOM 150 CB SER A 11 9.203 10.576 -6.091 1.00 0.00 C ATOM 151 OG SER A 11 8.697 11.563 -6.983 1.00 0.00 O ATOM 0 H SER A 11 8.758 8.530 -4.081 1.00 0.00 H new ATOM 0 HA SER A 11 8.199 11.436 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.217 10.839 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.262 9.615 -6.601 1.00 0.00 H new ATOM 0 HG SER A 11 9.283 11.628 -7.766 1.00 0.00 H new ATOM 157 N GLN A 12 5.905 10.864 -5.243 1.00 0.00 N ATOM 158 CA GLN A 12 4.468 10.525 -5.436 1.00 0.00 C ATOM 159 C GLN A 12 3.875 11.460 -6.524 1.00 0.00 C ATOM 160 O GLN A 12 3.887 12.689 -6.382 1.00 0.00 O ATOM 161 CB GLN A 12 3.749 10.658 -4.069 1.00 0.00 C ATOM 162 CG GLN A 12 2.414 9.894 -3.974 1.00 0.00 C ATOM 163 CD GLN A 12 1.874 9.830 -2.534 1.00 0.00 C ATOM 164 OE1 GLN A 12 1.637 10.850 -1.887 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.668 8.634 -2.002 1.00 0.00 N ATOM 0 H GLN A 12 6.078 11.863 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 12 4.335 9.500 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.416 10.298 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.564 11.714 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.676 10.377 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.551 8.881 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.867 7.793 -2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.311 8.554 -1.050 1.00 0.00 H new ATOM 174 N GLU A 13 3.376 10.863 -7.621 1.00 0.00 N ATOM 175 CA GLU A 13 3.083 11.590 -8.879 1.00 0.00 C ATOM 176 C GLU A 13 1.605 12.070 -8.954 1.00 0.00 C ATOM 177 O GLU A 13 1.381 13.279 -8.848 1.00 0.00 O ATOM 178 CB GLU A 13 3.552 10.686 -10.050 1.00 0.00 C ATOM 179 CG GLU A 13 5.087 10.659 -10.244 1.00 0.00 C ATOM 180 CD GLU A 13 5.548 9.702 -11.341 1.00 0.00 C ATOM 181 OE1 GLU A 13 5.346 10.008 -12.536 1.00 0.00 O ATOM 182 OE2 GLU A 13 6.125 8.642 -11.013 1.00 0.00 O ATOM 0 H GLU A 13 3.163 9.866 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 13 3.635 12.528 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.200 9.669 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.085 11.031 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.432 11.665 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.559 10.374 -9.303 1.00 0.00 H new ATOM 189 N ASN A 14 0.618 11.165 -9.128 1.00 0.00 N ATOM 190 CA ASN A 14 -0.825 11.540 -9.190 1.00 0.00 C ATOM 191 C ASN A 14 -1.536 11.146 -7.862 1.00 0.00 C ATOM 192 O ASN A 14 -2.293 10.172 -7.801 1.00 0.00 O ATOM 193 CB ASN A 14 -1.478 10.910 -10.455 1.00 0.00 C ATOM 194 CG ASN A 14 -1.383 11.746 -11.742 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.184 12.652 -11.972 1.00 0.00 O ATOM 196 ND2 ASN A 14 -0.426 11.459 -12.607 1.00 0.00 N ATOM 0 H ASN A 14 0.788 10.164 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.933 12.620 -9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.012 9.942 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.531 10.722 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.346 11.990 -13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.233 10.706 -12.407 1.00 0.00 H new ATOM 203 N PHE A 15 -1.313 11.954 -6.808 1.00 0.00 N ATOM 204 CA PHE A 15 -2.055 11.851 -5.518 1.00 0.00 C ATOM 205 C PHE A 15 -3.371 12.692 -5.504 1.00 0.00 C ATOM 206 O PHE A 15 -4.410 12.170 -5.093 1.00 0.00 O ATOM 207 CB PHE A 15 -1.096 12.232 -4.352 1.00 0.00 C ATOM 208 CG PHE A 15 -1.505 11.749 -2.945 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.498 10.383 -2.649 1.00 0.00 C ATOM 210 CD2 PHE A 15 -1.766 12.664 -1.920 1.00 0.00 C ATOM 211 CE1 PHE A 15 -1.697 9.938 -1.345 1.00 0.00 C ATOM 212 CE2 PHE A 15 -1.985 12.215 -0.618 1.00 0.00 C ATOM 213 CZ PHE A 15 -1.935 10.858 -0.328 1.00 0.00 C ATOM 0 H PHE A 15 -0.616 12.699 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.383 10.820 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.108 11.832 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.002 13.318 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.337 9.665 -3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.798 13.721 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.667 8.881 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.194 12.926 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.081 10.517 0.686 1.00 0.00 H new ATOM 223 N GLU A 16 -3.326 13.968 -5.947 1.00 0.00 N ATOM 224 CA GLU A 16 -4.511 14.868 -6.034 1.00 0.00 C ATOM 225 C GLU A 16 -5.606 14.407 -7.044 1.00 0.00 C ATOM 226 O GLU A 16 -6.771 14.304 -6.650 1.00 0.00 O ATOM 227 CB GLU A 16 -4.046 16.327 -6.319 1.00 0.00 C ATOM 228 CG GLU A 16 -3.277 17.019 -5.169 1.00 0.00 C ATOM 229 CD GLU A 16 -2.737 18.399 -5.549 1.00 0.00 C ATOM 230 OE1 GLU A 16 -3.459 19.404 -5.365 1.00 0.00 O ATOM 231 OE2 GLU A 16 -1.584 18.485 -6.028 1.00 0.00 O ATOM 0 H GLU A 16 -2.462 14.411 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.003 14.821 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.411 16.321 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.923 16.928 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.938 17.119 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.447 16.383 -4.862 1.00 0.00 H new ATOM 238 N ALA A 17 -5.239 14.100 -8.307 1.00 0.00 N ATOM 239 CA ALA A 17 -6.175 13.514 -9.305 1.00 0.00 C ATOM 240 C ALA A 17 -6.792 12.124 -8.955 1.00 0.00 C ATOM 241 O ALA A 17 -7.975 11.917 -9.236 1.00 0.00 O ATOM 242 CB ALA A 17 -5.461 13.457 -10.668 1.00 0.00 C ATOM 0 H ALA A 17 -4.296 14.248 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.040 14.177 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.132 13.030 -11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.176 14.464 -10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.569 12.837 -10.586 1.00 0.00 H new ATOM 248 N PHE A 18 -6.022 11.191 -8.351 1.00 0.00 N ATOM 249 CA PHE A 18 -6.527 9.844 -7.959 1.00 0.00 C ATOM 250 C PHE A 18 -7.533 9.878 -6.769 1.00 0.00 C ATOM 251 O PHE A 18 -8.635 9.344 -6.904 1.00 0.00 O ATOM 252 CB PHE A 18 -5.317 8.899 -7.710 1.00 0.00 C ATOM 253 CG PHE A 18 -5.675 7.419 -7.474 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.949 6.959 -6.179 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.745 6.524 -8.548 1.00 0.00 C ATOM 256 CE1 PHE A 18 -6.298 5.630 -5.965 1.00 0.00 C ATOM 257 CE2 PHE A 18 -6.087 5.193 -8.329 1.00 0.00 C ATOM 258 CZ PHE A 18 -6.368 4.749 -7.039 1.00 0.00 C ATOM 0 H PHE A 18 -5.040 11.343 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.116 9.447 -8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.646 8.961 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.764 9.264 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.889 7.640 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.533 6.868 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.515 5.282 -4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.135 4.504 -9.159 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.641 3.717 -6.872 1.00 0.00 H new ATOM 268 N MET A 19 -7.142 10.481 -5.630 1.00 0.00 N ATOM 269 CA MET A 19 -7.992 10.589 -4.412 1.00 0.00 C ATOM 270 C MET A 19 -9.329 11.366 -4.621 1.00 0.00 C ATOM 271 O MET A 19 -10.378 10.828 -4.261 1.00 0.00 O ATOM 272 CB MET A 19 -7.120 11.104 -3.237 1.00 0.00 C ATOM 273 CG MET A 19 -6.153 10.037 -2.690 1.00 0.00 C ATOM 274 SD MET A 19 -5.412 10.558 -1.133 1.00 0.00 S ATOM 275 CE MET A 19 -4.881 8.944 -0.524 1.00 0.00 C ATOM 0 H MET A 19 -6.224 10.912 -5.521 1.00 0.00 H new ATOM 0 HA MET A 19 -8.355 9.593 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.547 11.969 -3.570 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.771 11.444 -2.431 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.689 9.099 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.368 9.845 -3.422 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.346 9.068 0.418 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.753 8.310 -0.365 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.222 8.478 -1.256 1.00 0.00 H new ATOM 285 N LYS A 20 -9.328 12.552 -5.266 1.00 0.00 N ATOM 286 CA LYS A 20 -10.587 13.234 -5.707 1.00 0.00 C ATOM 287 C LYS A 20 -11.506 12.416 -6.681 1.00 0.00 C ATOM 288 O LYS A 20 -12.731 12.485 -6.537 1.00 0.00 O ATOM 289 CB LYS A 20 -10.278 14.634 -6.309 1.00 0.00 C ATOM 290 CG LYS A 20 -9.679 15.665 -5.319 1.00 0.00 C ATOM 291 CD LYS A 20 -9.401 17.064 -5.903 1.00 0.00 C ATOM 292 CE LYS A 20 -10.665 17.880 -6.240 1.00 0.00 C ATOM 293 NZ LYS A 20 -10.326 19.234 -6.710 1.00 0.00 N ATOM 0 H LYS A 20 -8.477 13.065 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.169 13.332 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.584 14.508 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.199 15.045 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.362 15.772 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.746 15.263 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.799 17.628 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.803 16.954 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.240 17.361 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.301 17.949 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.200 19.755 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.799 19.737 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.740 19.168 -7.567 1.00 0.00 H new ATOM 307 N ALA A 21 -10.939 11.638 -7.630 1.00 0.00 N ATOM 308 CA ALA A 21 -11.714 10.716 -8.506 1.00 0.00 C ATOM 309 C ALA A 21 -12.384 9.485 -7.816 1.00 0.00 C ATOM 310 O ALA A 21 -13.506 9.141 -8.198 1.00 0.00 O ATOM 311 CB ALA A 21 -10.800 10.262 -9.659 1.00 0.00 C ATOM 0 H ALA A 21 -9.936 11.628 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.569 11.295 -8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.349 9.585 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.473 11.132 -10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.930 9.747 -9.252 1.00 0.00 H new ATOM 317 N ILE A 22 -11.734 8.831 -6.825 1.00 0.00 N ATOM 318 CA ILE A 22 -12.336 7.687 -6.064 1.00 0.00 C ATOM 319 C ILE A 22 -13.386 8.108 -4.979 1.00 0.00 C ATOM 320 O ILE A 22 -14.399 7.419 -4.829 1.00 0.00 O ATOM 321 CB ILE A 22 -11.264 6.679 -5.506 1.00 0.00 C ATOM 322 CG1 ILE A 22 -10.257 7.274 -4.479 1.00 0.00 C ATOM 323 CG2 ILE A 22 -10.512 5.953 -6.649 1.00 0.00 C ATOM 324 CD1 ILE A 22 -9.500 6.252 -3.617 1.00 0.00 C ATOM 0 H ILE A 22 -10.789 9.070 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.910 7.143 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.853 5.956 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.527 7.876 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.799 7.950 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.780 5.266 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.225 5.395 -7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.001 6.687 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.827 6.776 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.213 5.664 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.922 5.590 -4.261 1.00 0.00 H new ATOM 336 N GLY A 23 -13.142 9.205 -4.236 1.00 0.00 N ATOM 337 CA GLY A 23 -14.045 9.712 -3.179 1.00 0.00 C ATOM 338 C GLY A 23 -13.327 9.934 -1.831 1.00 0.00 C ATOM 339 O GLY A 23 -13.724 9.341 -0.826 1.00 0.00 O ATOM 0 H GLY A 23 -12.302 9.772 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.489 10.652 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.863 9.005 -3.037 1.00 0.00 H new ATOM 343 N LEU A 24 -12.299 10.801 -1.819 1.00 0.00 N ATOM 344 CA LEU A 24 -11.490 11.124 -0.611 1.00 0.00 C ATOM 345 C LEU A 24 -11.570 12.659 -0.311 1.00 0.00 C ATOM 346 O LEU A 24 -11.671 13.458 -1.253 1.00 0.00 O ATOM 347 CB LEU A 24 -10.008 10.684 -0.826 1.00 0.00 C ATOM 348 CG LEU A 24 -9.507 9.329 -0.257 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.022 9.398 1.195 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.479 8.157 -0.443 1.00 0.00 C ATOM 0 H LEU A 24 -11.997 11.307 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.891 10.580 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.827 10.670 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.374 11.465 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.638 9.120 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.690 8.410 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.193 10.102 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.838 9.731 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.045 7.253 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.420 8.381 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.664 8.003 -1.506 1.00 0.00 H new ATOM 362 N PRO A 25 -11.475 13.129 0.970 1.00 0.00 N ATOM 363 CA PRO A 25 -11.484 14.575 1.306 1.00 0.00 C ATOM 364 C PRO A 25 -10.181 15.313 0.901 1.00 0.00 C ATOM 365 O PRO A 25 -9.075 14.796 1.083 1.00 0.00 O ATOM 366 CB PRO A 25 -11.664 14.581 2.834 1.00 0.00 C ATOM 367 CG PRO A 25 -11.158 13.225 3.324 1.00 0.00 C ATOM 368 CD PRO A 25 -11.275 12.260 2.144 1.00 0.00 C ATOM 0 HA PRO A 25 -12.266 15.106 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.101 15.395 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.710 14.727 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.125 13.297 3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.748 12.875 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.376 11.652 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.111 11.573 2.275 1.00 0.00 H new ATOM 376 N GLU A 26 -10.348 16.549 0.410 1.00 0.00 N ATOM 377 CA GLU A 26 -9.212 17.441 0.036 1.00 0.00 C ATOM 378 C GLU A 26 -8.228 17.826 1.195 1.00 0.00 C ATOM 379 O GLU A 26 -7.027 17.934 0.935 1.00 0.00 O ATOM 380 CB GLU A 26 -9.798 18.661 -0.727 1.00 0.00 C ATOM 381 CG GLU A 26 -8.760 19.539 -1.456 1.00 0.00 C ATOM 382 CD GLU A 26 -9.399 20.626 -2.323 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.675 21.730 -1.803 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.631 20.381 -3.527 1.00 0.00 O ATOM 0 H GLU A 26 -11.265 16.969 0.257 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.545 16.876 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.522 18.299 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.344 19.284 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.107 20.007 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.132 18.905 -2.082 1.00 0.00 H new ATOM 391 N GLU A 27 -8.704 17.974 2.451 1.00 0.00 N ATOM 392 CA GLU A 27 -7.831 18.130 3.649 1.00 0.00 C ATOM 393 C GLU A 27 -6.866 16.929 3.922 1.00 0.00 C ATOM 394 O GLU A 27 -5.676 17.179 4.136 1.00 0.00 O ATOM 395 CB GLU A 27 -8.729 18.475 4.869 1.00 0.00 C ATOM 396 CG GLU A 27 -7.964 18.903 6.141 1.00 0.00 C ATOM 397 CD GLU A 27 -8.892 19.368 7.266 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.352 18.520 8.062 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.167 20.586 7.359 1.00 0.00 O ATOM 0 H GLU A 27 -9.700 17.989 2.669 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.141 18.950 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.410 19.278 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.343 17.606 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.362 18.066 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.274 19.708 5.890 1.00 0.00 H new ATOM 406 N LEU A 28 -7.337 15.659 3.889 1.00 0.00 N ATOM 407 CA LEU A 28 -6.430 14.469 3.974 1.00 0.00 C ATOM 408 C LEU A 28 -5.471 14.223 2.754 1.00 0.00 C ATOM 409 O LEU A 28 -4.465 13.528 2.924 1.00 0.00 O ATOM 410 CB LEU A 28 -7.221 13.169 4.297 1.00 0.00 C ATOM 411 CG LEU A 28 -8.098 13.127 5.585 1.00 0.00 C ATOM 412 CD1 LEU A 28 -8.768 11.745 5.733 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.329 13.463 6.880 1.00 0.00 C ATOM 0 H LEU A 28 -8.326 15.425 3.805 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.767 14.730 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.871 12.958 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.502 12.352 4.360 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.849 13.907 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.377 11.731 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.400 11.553 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.001 10.974 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.009 13.412 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.520 12.746 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.914 14.468 6.807 1.00 0.00 H new ATOM 425 N ILE A 29 -5.738 14.802 1.563 1.00 0.00 N ATOM 426 CA ILE A 29 -4.783 14.832 0.412 1.00 0.00 C ATOM 427 C ILE A 29 -3.558 15.759 0.730 1.00 0.00 C ATOM 428 O ILE A 29 -2.420 15.301 0.619 1.00 0.00 O ATOM 429 CB ILE A 29 -5.515 15.192 -0.934 1.00 0.00 C ATOM 430 CG1 ILE A 29 -6.668 14.202 -1.276 1.00 0.00 C ATOM 431 CG2 ILE A 29 -4.549 15.272 -2.141 1.00 0.00 C ATOM 432 CD1 ILE A 29 -7.572 14.563 -2.464 1.00 0.00 C ATOM 0 H ILE A 29 -6.624 15.266 1.363 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.379 13.830 0.266 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.939 16.181 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.227 13.224 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.297 14.097 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.111 15.523 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.798 16.040 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.057 14.309 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.331 13.791 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.057 15.521 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.971 14.634 -3.370 1.00 0.00 H new ATOM 444 N GLN A 30 -3.777 17.031 1.128 1.00 0.00 N ATOM 445 CA GLN A 30 -2.676 17.937 1.577 1.00 0.00 C ATOM 446 C GLN A 30 -1.907 17.515 2.875 1.00 0.00 C ATOM 447 O GLN A 30 -0.729 17.865 3.002 1.00 0.00 O ATOM 448 CB GLN A 30 -3.180 19.403 1.710 1.00 0.00 C ATOM 449 CG GLN A 30 -3.399 20.188 0.394 1.00 0.00 C ATOM 450 CD GLN A 30 -4.749 19.950 -0.301 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.779 20.452 0.146 1.00 0.00 O ATOM 452 NE2 GLN A 30 -4.775 19.210 -1.400 1.00 0.00 N ATOM 0 H GLN A 30 -4.702 17.461 1.151 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.937 17.850 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.122 19.390 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.464 19.954 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.302 21.253 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.601 19.927 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.913 18.800 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.657 19.051 -1.887 1.00 0.00 H new ATOM 461 N LYS A 31 -2.532 16.772 3.811 1.00 0.00 N ATOM 462 CA LYS A 31 -1.837 16.188 4.991 1.00 0.00 C ATOM 463 C LYS A 31 -0.951 14.959 4.603 1.00 0.00 C ATOM 464 O LYS A 31 0.257 14.984 4.858 1.00 0.00 O ATOM 465 CB LYS A 31 -2.888 15.873 6.089 1.00 0.00 C ATOM 466 CG LYS A 31 -2.289 15.664 7.499 1.00 0.00 C ATOM 467 CD LYS A 31 -3.256 15.022 8.520 1.00 0.00 C ATOM 468 CE LYS A 31 -3.226 13.481 8.602 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.747 12.799 7.403 1.00 0.00 N ATOM 0 H LYS A 31 -3.528 16.557 3.777 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.133 16.915 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.609 16.689 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.438 14.976 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.402 15.036 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.960 16.628 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.029 15.423 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.271 15.334 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.199 13.158 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.807 13.164 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.196 11.903 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.449 13.407 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.964 12.605 6.746 1.00 0.00 H new ATOM 483 N GLY A 32 -1.540 13.918 3.975 1.00 0.00 N ATOM 484 CA GLY A 32 -0.802 12.716 3.518 1.00 0.00 C ATOM 485 C GLY A 32 0.238 12.838 2.372 1.00 0.00 C ATOM 486 O GLY A 32 1.052 11.921 2.238 1.00 0.00 O ATOM 0 H GLY A 32 -2.539 13.885 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.284 12.304 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.542 11.978 3.208 1.00 0.00 H new ATOM 490 N LYS A 33 0.247 13.928 1.569 1.00 0.00 N ATOM 491 CA LYS A 33 1.332 14.193 0.577 1.00 0.00 C ATOM 492 C LYS A 33 2.713 14.553 1.216 1.00 0.00 C ATOM 493 O LYS A 33 3.737 14.001 0.805 1.00 0.00 O ATOM 494 CB LYS A 33 0.850 15.195 -0.509 1.00 0.00 C ATOM 495 CG LYS A 33 0.694 16.679 -0.110 1.00 0.00 C ATOM 496 CD LYS A 33 0.072 17.572 -1.200 1.00 0.00 C ATOM 497 CE LYS A 33 0.948 17.832 -2.443 1.00 0.00 C ATOM 498 NZ LYS A 33 2.158 18.630 -2.161 1.00 0.00 N ATOM 0 H LYS A 33 -0.482 14.642 1.584 1.00 0.00 H new ATOM 0 HA LYS A 33 1.539 13.250 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.550 15.146 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.114 14.846 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.076 16.738 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.675 17.077 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.862 17.115 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.183 18.533 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.246 16.876 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.351 18.347 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.697 18.765 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.881 19.557 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.749 18.131 -1.466 1.00 0.00 H new ATOM 512 N ASP A 34 2.724 15.434 2.240 1.00 0.00 N ATOM 513 CA ASP A 34 3.922 15.718 3.083 1.00 0.00 C ATOM 514 C ASP A 34 4.402 14.529 3.980 1.00 0.00 C ATOM 515 O ASP A 34 5.614 14.376 4.164 1.00 0.00 O ATOM 516 CB ASP A 34 3.662 16.976 3.958 1.00 0.00 C ATOM 517 CG ASP A 34 3.472 18.290 3.181 1.00 0.00 C ATOM 518 OD1 ASP A 34 4.484 18.915 2.792 1.00 0.00 O ATOM 519 OD2 ASP A 34 2.310 18.694 2.952 1.00 0.00 O ATOM 0 H ASP A 34 1.902 15.974 2.512 1.00 0.00 H new ATOM 0 HA ASP A 34 4.738 15.891 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.773 16.800 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.498 17.098 4.647 1.00 0.00 H new ATOM 524 N ILE A 35 3.484 13.690 4.515 1.00 0.00 N ATOM 525 CA ILE A 35 3.830 12.476 5.309 1.00 0.00 C ATOM 526 C ILE A 35 4.375 11.389 4.326 1.00 0.00 C ATOM 527 O ILE A 35 3.683 10.980 3.386 1.00 0.00 O ATOM 528 CB ILE A 35 2.590 11.971 6.142 1.00 0.00 C ATOM 529 CG1 ILE A 35 2.048 13.028 7.155 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.878 10.646 6.905 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.609 12.787 7.640 1.00 0.00 C ATOM 0 H ILE A 35 2.479 13.832 4.411 1.00 0.00 H new ATOM 0 HA ILE A 35 4.604 12.709 6.040 1.00 0.00 H new ATOM 0 HB ILE A 35 1.822 11.792 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.708 13.050 8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.099 14.013 6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.990 10.346 7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.141 9.865 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.706 10.798 7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.324 13.573 8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.069 12.797 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.550 11.819 8.138 1.00 0.00 H new ATOM 543 N LYS A 36 5.605 10.910 4.594 1.00 0.00 N ATOM 544 CA LYS A 36 6.215 9.787 3.835 1.00 0.00 C ATOM 545 C LYS A 36 5.716 8.446 4.440 1.00 0.00 C ATOM 546 O LYS A 36 6.127 8.049 5.536 1.00 0.00 O ATOM 547 CB LYS A 36 7.766 9.893 3.840 1.00 0.00 C ATOM 548 CG LYS A 36 8.328 11.000 2.920 1.00 0.00 C ATOM 549 CD LYS A 36 9.867 11.084 2.924 1.00 0.00 C ATOM 550 CE LYS A 36 10.398 12.024 1.826 1.00 0.00 C ATOM 551 NZ LYS A 36 11.870 12.050 1.789 1.00 0.00 N ATOM 0 H LYS A 36 6.203 11.281 5.333 1.00 0.00 H new ATOM 0 HA LYS A 36 5.907 9.833 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.103 10.078 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.186 8.934 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.985 10.822 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.919 11.961 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.208 11.435 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.285 10.087 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.016 11.702 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.021 13.032 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.187 12.694 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.234 12.381 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.229 11.093 1.599 1.00 0.00 H new ATOM 565 N GLY A 37 4.789 7.785 3.724 1.00 0.00 N ATOM 566 CA GLY A 37 4.064 6.609 4.248 1.00 0.00 C ATOM 567 C GLY A 37 4.819 5.281 4.058 1.00 0.00 C ATOM 568 O GLY A 37 5.279 4.967 2.954 1.00 0.00 O ATOM 0 H GLY A 37 4.522 8.046 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.869 6.757 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.095 6.540 3.753 1.00 0.00 H new ATOM 572 N VAL A 38 4.898 4.497 5.147 1.00 0.00 N ATOM 573 CA VAL A 38 5.560 3.162 5.140 1.00 0.00 C ATOM 574 C VAL A 38 4.509 2.121 4.647 1.00 0.00 C ATOM 575 O VAL A 38 3.517 1.833 5.325 1.00 0.00 O ATOM 576 CB VAL A 38 6.176 2.767 6.526 1.00 0.00 C ATOM 577 CG1 VAL A 38 7.004 1.460 6.444 1.00 0.00 C ATOM 578 CG2 VAL A 38 7.086 3.843 7.164 1.00 0.00 C ATOM 0 H VAL A 38 4.511 4.759 6.054 1.00 0.00 H new ATOM 0 HA VAL A 38 6.415 3.190 4.465 1.00 0.00 H new ATOM 0 HB VAL A 38 5.297 2.642 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.412 1.225 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.363 0.643 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.821 1.591 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.465 3.479 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.923 4.053 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.512 4.756 7.325 1.00 0.00 H new ATOM 588 N SER A 39 4.774 1.553 3.465 1.00 0.00 N ATOM 589 CA SER A 39 3.959 0.460 2.885 1.00 0.00 C ATOM 590 C SER A 39 4.652 -0.877 3.232 1.00 0.00 C ATOM 591 O SER A 39 5.634 -1.268 2.596 1.00 0.00 O ATOM 592 CB SER A 39 3.821 0.639 1.359 1.00 0.00 C ATOM 593 OG SER A 39 3.236 1.891 1.016 1.00 0.00 O ATOM 0 H SER A 39 5.559 1.833 2.877 1.00 0.00 H new ATOM 0 HA SER A 39 2.951 0.473 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.804 0.560 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.211 -0.168 0.954 1.00 0.00 H new ATOM 0 HG SER A 39 3.168 1.964 0.041 1.00 0.00 H new ATOM 599 N GLU A 40 4.139 -1.566 4.259 1.00 0.00 N ATOM 600 CA GLU A 40 4.674 -2.874 4.704 1.00 0.00 C ATOM 601 C GLU A 40 4.093 -4.010 3.836 1.00 0.00 C ATOM 602 O GLU A 40 2.922 -3.989 3.450 1.00 0.00 O ATOM 603 CB GLU A 40 4.314 -3.124 6.188 1.00 0.00 C ATOM 604 CG GLU A 40 5.048 -2.247 7.218 1.00 0.00 C ATOM 605 CD GLU A 40 4.164 -1.186 7.880 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.425 -1.520 8.832 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.196 -0.015 7.447 1.00 0.00 O ATOM 0 H GLU A 40 3.344 -1.240 4.808 1.00 0.00 H new ATOM 0 HA GLU A 40 5.759 -2.857 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.241 -2.974 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.518 -4.169 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.468 -2.889 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.885 -1.752 6.726 1.00 0.00 H new ATOM 614 N ILE A 41 4.947 -4.997 3.547 1.00 0.00 N ATOM 615 CA ILE A 41 4.546 -6.231 2.818 1.00 0.00 C ATOM 616 C ILE A 41 5.366 -7.361 3.506 1.00 0.00 C ATOM 617 O ILE A 41 6.600 -7.340 3.486 1.00 0.00 O ATOM 618 CB ILE A 41 4.759 -6.185 1.257 1.00 0.00 C ATOM 619 CG1 ILE A 41 4.122 -4.946 0.555 1.00 0.00 C ATOM 620 CG2 ILE A 41 4.235 -7.491 0.596 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.496 -4.733 -0.920 1.00 0.00 C ATOM 0 H ILE A 41 5.934 -4.975 3.805 1.00 0.00 H new ATOM 0 HA ILE A 41 3.469 -6.384 2.886 1.00 0.00 H new ATOM 0 HB ILE A 41 5.836 -6.093 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.038 -5.034 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.406 -4.053 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.390 -7.441 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.776 -8.346 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.171 -7.603 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.993 -3.843 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.575 -4.605 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.186 -5.600 -1.503 1.00 0.00 H new ATOM 633 N VAL A 42 4.663 -8.350 4.082 1.00 0.00 N ATOM 634 CA VAL A 42 5.282 -9.558 4.695 1.00 0.00 C ATOM 635 C VAL A 42 4.918 -10.734 3.739 1.00 0.00 C ATOM 636 O VAL A 42 3.757 -11.156 3.662 1.00 0.00 O ATOM 637 CB VAL A 42 4.798 -9.767 6.172 1.00 0.00 C ATOM 638 CG1 VAL A 42 5.388 -11.041 6.824 1.00 0.00 C ATOM 639 CG2 VAL A 42 5.113 -8.567 7.099 1.00 0.00 C ATOM 0 H VAL A 42 3.645 -8.343 4.141 1.00 0.00 H new ATOM 0 HA VAL A 42 6.364 -9.471 4.789 1.00 0.00 H new ATOM 0 HB VAL A 42 3.717 -9.870 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.017 -11.132 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.087 -11.917 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.476 -10.972 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.751 -8.779 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.190 -8.403 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.620 -7.673 6.717 1.00 0.00 H new ATOM 649 N GLN A 43 5.933 -11.253 3.025 1.00 0.00 N ATOM 650 CA GLN A 43 5.761 -12.368 2.061 1.00 0.00 C ATOM 651 C GLN A 43 5.848 -13.734 2.797 1.00 0.00 C ATOM 652 O GLN A 43 6.866 -14.057 3.420 1.00 0.00 O ATOM 653 CB GLN A 43 6.837 -12.232 0.949 1.00 0.00 C ATOM 654 CG GLN A 43 6.755 -13.283 -0.185 1.00 0.00 C ATOM 655 CD GLN A 43 7.787 -13.083 -1.311 1.00 0.00 C ATOM 656 OE1 GLN A 43 8.964 -12.805 -1.077 1.00 0.00 O ATOM 657 NE2 GLN A 43 7.374 -13.239 -2.558 1.00 0.00 N ATOM 0 H GLN A 43 6.893 -10.917 3.095 1.00 0.00 H new ATOM 0 HA GLN A 43 4.776 -12.322 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.756 -11.239 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.822 -12.296 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.891 -14.275 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.754 -13.257 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.398 -13.469 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.031 -13.129 -3.330 1.00 0.00 H new ATOM 666 N ASN A 44 4.783 -14.541 2.655 1.00 0.00 N ATOM 667 CA ASN A 44 4.805 -15.985 3.027 1.00 0.00 C ATOM 668 C ASN A 44 4.401 -16.819 1.772 1.00 0.00 C ATOM 669 O ASN A 44 3.315 -17.406 1.721 1.00 0.00 O ATOM 670 CB ASN A 44 3.898 -16.250 4.265 1.00 0.00 C ATOM 671 CG ASN A 44 4.367 -15.607 5.587 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.014 -14.471 5.902 1.00 0.00 O ATOM 673 ND2 ASN A 44 5.168 -16.310 6.376 1.00 0.00 N ATOM 0 H ASN A 44 3.887 -14.225 2.284 1.00 0.00 H new ATOM 0 HA ASN A 44 5.806 -16.293 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.895 -15.887 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.822 -17.327 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.498 -15.910 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.454 -17.251 6.105 1.00 0.00 H new ATOM 680 N GLY A 45 5.287 -16.853 0.750 1.00 0.00 N ATOM 681 CA GLY A 45 5.032 -17.559 -0.528 1.00 0.00 C ATOM 682 C GLY A 45 3.918 -16.920 -1.387 1.00 0.00 C ATOM 683 O GLY A 45 4.049 -15.779 -1.843 1.00 0.00 O ATOM 0 H GLY A 45 6.197 -16.393 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.955 -17.584 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.763 -18.593 -0.313 1.00 0.00 H new ATOM 687 N LYS A 46 2.817 -17.669 -1.555 1.00 0.00 N ATOM 688 CA LYS A 46 1.561 -17.157 -2.174 1.00 0.00 C ATOM 689 C LYS A 46 0.677 -16.269 -1.239 1.00 0.00 C ATOM 690 O LYS A 46 0.008 -15.365 -1.747 1.00 0.00 O ATOM 691 CB LYS A 46 0.723 -18.344 -2.724 1.00 0.00 C ATOM 692 CG LYS A 46 1.338 -19.091 -3.934 1.00 0.00 C ATOM 693 CD LYS A 46 0.540 -20.321 -4.412 1.00 0.00 C ATOM 694 CE LYS A 46 -0.807 -19.992 -5.085 1.00 0.00 C ATOM 695 NZ LYS A 46 -1.488 -21.206 -5.564 1.00 0.00 N ATOM 0 H LYS A 46 2.761 -18.647 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 46 1.882 -16.497 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.568 -19.061 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.260 -17.970 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.432 -18.392 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.346 -19.410 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.154 -20.885 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.355 -20.972 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.450 -19.470 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.639 -19.315 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.390 -20.945 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.885 -21.691 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.670 -21.841 -4.761 1.00 0.00 H new ATOM 709 N HIS A 47 0.660 -16.507 0.092 1.00 0.00 N ATOM 710 CA HIS A 47 -0.078 -15.665 1.070 1.00 0.00 C ATOM 711 C HIS A 47 0.681 -14.329 1.306 1.00 0.00 C ATOM 712 O HIS A 47 1.799 -14.320 1.832 1.00 0.00 O ATOM 713 CB HIS A 47 -0.263 -16.425 2.414 1.00 0.00 C ATOM 714 CG HIS A 47 -1.326 -17.527 2.402 1.00 0.00 C ATOM 715 ND1 HIS A 47 -1.136 -18.802 1.898 1.00 0.00 N ATOM 716 CD2 HIS A 47 -2.627 -17.410 2.922 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.367 -19.343 2.158 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.338 -18.594 2.774 1.00 0.00 N ATOM 0 H HIS A 47 1.157 -17.287 0.522 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.064 -15.442 0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.692 -16.868 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.521 -15.703 3.188 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.023 -16.515 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.575 -20.365 1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.292 -18.834 3.042 1.00 0.00 H new ATOM 726 N PHE A 48 0.051 -13.216 0.897 1.00 0.00 N ATOM 727 CA PHE A 48 0.628 -11.855 1.026 1.00 0.00 C ATOM 728 C PHE A 48 -0.209 -11.054 2.057 1.00 0.00 C ATOM 729 O PHE A 48 -1.311 -10.575 1.765 1.00 0.00 O ATOM 730 CB PHE A 48 0.648 -11.135 -0.350 1.00 0.00 C ATOM 731 CG PHE A 48 1.745 -11.590 -1.324 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.041 -11.078 -1.201 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.461 -12.505 -2.343 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.036 -11.480 -2.084 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.465 -12.916 -3.217 1.00 0.00 C ATOM 736 CZ PHE A 48 3.751 -12.396 -3.091 1.00 0.00 C ATOM 0 H PHE A 48 -0.874 -13.227 0.466 1.00 0.00 H new ATOM 0 HA PHE A 48 1.659 -11.926 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.320 -11.280 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.762 -10.065 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.269 -10.369 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.460 -12.894 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.034 -11.080 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.247 -13.637 -3.991 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.527 -12.704 -3.776 1.00 0.00 H new ATOM 746 N LYS A 49 0.379 -10.875 3.249 1.00 0.00 N ATOM 747 CA LYS A 49 -0.064 -9.853 4.232 1.00 0.00 C ATOM 748 C LYS A 49 0.597 -8.492 3.869 1.00 0.00 C ATOM 749 O LYS A 49 1.785 -8.433 3.539 1.00 0.00 O ATOM 750 CB LYS A 49 0.349 -10.349 5.644 1.00 0.00 C ATOM 751 CG LYS A 49 -0.046 -9.440 6.832 1.00 0.00 C ATOM 752 CD LYS A 49 0.228 -10.036 8.228 1.00 0.00 C ATOM 753 CE LYS A 49 1.722 -10.198 8.573 1.00 0.00 C ATOM 754 NZ LYS A 49 1.916 -10.705 9.943 1.00 0.00 N ATOM 0 H LYS A 49 1.174 -11.429 3.566 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.144 -9.708 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.093 -11.333 5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.431 -10.480 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.494 -8.497 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.108 -9.208 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.238 -9.398 8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.255 -11.011 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.187 -10.882 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.226 -9.237 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.933 -10.800 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.495 -10.040 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.457 -11.633 10.038 1.00 0.00 H new ATOM 768 N PHE A 50 -0.180 -7.404 3.963 1.00 0.00 N ATOM 769 CA PHE A 50 0.348 -6.021 3.816 1.00 0.00 C ATOM 770 C PHE A 50 -0.340 -5.054 4.816 1.00 0.00 C ATOM 771 O PHE A 50 -1.527 -5.204 5.122 1.00 0.00 O ATOM 772 CB PHE A 50 0.309 -5.544 2.333 1.00 0.00 C ATOM 773 CG PHE A 50 -1.041 -5.202 1.677 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.563 -3.905 1.771 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.698 -6.150 0.886 1.00 0.00 C ATOM 776 CE1 PHE A 50 -2.716 -3.561 1.070 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.843 -5.798 0.178 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.346 -4.502 0.262 1.00 0.00 C ATOM 0 H PHE A 50 -1.183 -7.446 4.141 1.00 0.00 H new ATOM 0 HA PHE A 50 1.405 -6.020 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.941 -4.659 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.777 -6.321 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.069 -3.170 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.316 -7.158 0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.121 -2.563 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.343 -6.531 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.226 -4.227 -0.301 1.00 0.00 H new ATOM 788 N THR A 51 0.417 -4.049 5.297 1.00 0.00 N ATOM 789 CA THR A 51 -0.109 -2.995 6.209 1.00 0.00 C ATOM 790 C THR A 51 0.371 -1.636 5.633 1.00 0.00 C ATOM 791 O THR A 51 1.506 -1.216 5.881 1.00 0.00 O ATOM 792 CB THR A 51 0.328 -3.266 7.683 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.160 -4.534 8.110 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.174 -2.222 8.696 1.00 0.00 C ATOM 0 H THR A 51 1.405 -3.938 5.071 1.00 0.00 H new ATOM 0 HA THR A 51 -1.198 -2.989 6.254 1.00 0.00 H new ATOM 0 HB THR A 51 1.417 -3.222 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.120 -4.698 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.175 -2.487 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.211 -1.239 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.264 -2.200 8.686 1.00 0.00 H new ATOM 802 N ILE A 52 -0.504 -0.950 4.867 1.00 0.00 N ATOM 803 CA ILE A 52 -0.170 0.353 4.225 1.00 0.00 C ATOM 804 C ILE A 52 -0.653 1.497 5.159 1.00 0.00 C ATOM 805 O ILE A 52 -1.850 1.646 5.426 1.00 0.00 O ATOM 806 CB ILE A 52 -0.633 0.429 2.730 1.00 0.00 C ATOM 807 CG1 ILE A 52 -0.100 1.707 2.018 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.153 0.235 2.492 1.00 0.00 C ATOM 809 CD1 ILE A 52 -0.087 1.650 0.481 1.00 0.00 C ATOM 0 H ILE A 52 -1.452 -1.273 4.674 1.00 0.00 H new ATOM 0 HA ILE A 52 0.909 0.469 4.124 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.172 -0.443 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.710 2.556 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.915 1.900 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.366 0.306 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.456 -0.746 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.706 1.008 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.301 2.588 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.548 0.827 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.101 1.494 0.114 1.00 0.00 H new ATOM 821 N THR A 53 0.322 2.273 5.666 1.00 0.00 N ATOM 822 CA THR A 53 0.087 3.276 6.738 1.00 0.00 C ATOM 823 C THR A 53 -0.294 4.643 6.104 1.00 0.00 C ATOM 824 O THR A 53 0.569 5.414 5.670 1.00 0.00 O ATOM 825 CB THR A 53 1.280 3.387 7.738 1.00 0.00 C ATOM 826 OG1 THR A 53 2.473 3.809 7.086 1.00 0.00 O ATOM 827 CG2 THR A 53 1.587 2.101 8.526 1.00 0.00 C ATOM 0 H THR A 53 1.291 2.229 5.351 1.00 0.00 H new ATOM 0 HA THR A 53 -0.753 2.934 7.343 1.00 0.00 H new ATOM 0 HB THR A 53 0.945 4.135 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.801 3.090 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.430 2.276 9.194 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.713 1.816 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.835 1.299 7.831 1.00 0.00 H new ATOM 835 N ALA A 54 -1.609 4.920 6.079 1.00 0.00 N ATOM 836 CA ALA A 54 -2.158 6.246 5.715 1.00 0.00 C ATOM 837 C ALA A 54 -2.481 7.051 7.003 1.00 0.00 C ATOM 838 O ALA A 54 -2.915 6.498 8.021 1.00 0.00 O ATOM 839 CB ALA A 54 -3.405 6.044 4.835 1.00 0.00 C ATOM 0 H ALA A 54 -2.326 4.232 6.310 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.427 6.820 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.818 7.015 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.129 5.499 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.152 5.475 5.388 1.00 0.00 H new ATOM 845 N GLY A 55 -2.251 8.373 6.925 1.00 0.00 N ATOM 846 CA GLY A 55 -2.320 9.301 8.086 1.00 0.00 C ATOM 847 C GLY A 55 -3.536 9.242 9.044 1.00 0.00 C ATOM 848 O GLY A 55 -3.338 9.145 10.259 1.00 0.00 O ATOM 0 H GLY A 55 -2.009 8.839 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.425 9.139 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.262 10.317 7.695 1.00 0.00 H new ATOM 852 N SER A 56 -4.769 9.272 8.504 1.00 0.00 N ATOM 853 CA SER A 56 -6.008 9.083 9.309 1.00 0.00 C ATOM 854 C SER A 56 -6.232 7.606 9.768 1.00 0.00 C ATOM 855 O SER A 56 -6.275 7.370 10.980 1.00 0.00 O ATOM 856 CB SER A 56 -7.209 9.682 8.541 1.00 0.00 C ATOM 857 OG SER A 56 -8.388 9.660 9.336 1.00 0.00 O ATOM 0 H SER A 56 -4.942 9.425 7.511 1.00 0.00 H new ATOM 0 HA SER A 56 -5.897 9.627 10.247 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.983 10.707 8.249 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.375 9.118 7.623 1.00 0.00 H new ATOM 0 HG SER A 56 -9.132 10.046 8.828 1.00 0.00 H new ATOM 863 N LYS A 57 -6.376 6.641 8.833 1.00 0.00 N ATOM 864 CA LYS A 57 -6.643 5.213 9.162 1.00 0.00 C ATOM 865 C LYS A 57 -5.588 4.319 8.449 1.00 0.00 C ATOM 866 O LYS A 57 -5.409 4.397 7.230 1.00 0.00 O ATOM 867 CB LYS A 57 -8.099 4.857 8.746 1.00 0.00 C ATOM 868 CG LYS A 57 -8.595 3.473 9.224 1.00 0.00 C ATOM 869 CD LYS A 57 -10.047 3.171 8.801 1.00 0.00 C ATOM 870 CE LYS A 57 -10.510 1.765 9.228 1.00 0.00 C ATOM 871 NZ LYS A 57 -11.899 1.502 8.808 1.00 0.00 N ATOM 0 H LYS A 57 -6.312 6.823 7.832 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.554 5.037 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.770 5.622 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.170 4.896 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.938 2.700 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.522 3.423 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.711 3.916 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.133 3.264 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.849 1.015 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.432 1.668 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.179 0.547 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.532 2.203 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.967 1.570 7.772 1.00 0.00 H new ATOM 885 N VAL A 58 -4.944 3.422 9.221 1.00 0.00 N ATOM 886 CA VAL A 58 -4.015 2.383 8.679 1.00 0.00 C ATOM 887 C VAL A 58 -4.882 1.217 8.100 1.00 0.00 C ATOM 888 O VAL A 58 -5.766 0.686 8.784 1.00 0.00 O ATOM 889 CB VAL A 58 -2.997 1.919 9.782 1.00 0.00 C ATOM 890 CG1 VAL A 58 -2.080 0.760 9.325 1.00 0.00 C ATOM 891 CG2 VAL A 58 -2.092 3.064 10.301 1.00 0.00 C ATOM 0 H VAL A 58 -5.045 3.388 10.235 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.402 2.785 7.872 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.642 1.571 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.403 0.491 10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.690 -0.104 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.500 1.075 8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.413 2.676 11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.514 3.475 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.711 3.849 10.736 1.00 0.00 H new ATOM 901 N ILE A 59 -4.618 0.846 6.834 1.00 0.00 N ATOM 902 CA ILE A 59 -5.466 -0.111 6.070 1.00 0.00 C ATOM 903 C ILE A 59 -4.586 -1.373 5.842 1.00 0.00 C ATOM 904 O ILE A 59 -3.712 -1.371 4.971 1.00 0.00 O ATOM 905 CB ILE A 59 -6.005 0.553 4.748 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.839 1.858 4.944 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.793 -0.427 3.845 1.00 0.00 C ATOM 908 CD1 ILE A 59 -8.138 1.747 5.760 1.00 0.00 C ATOM 0 H ILE A 59 -3.817 1.194 6.307 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.369 -0.399 6.609 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.082 0.841 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.200 2.598 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.092 2.248 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.135 0.096 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.146 -1.255 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.653 -0.813 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.616 2.725 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.813 1.041 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.907 1.396 6.766 1.00 0.00 H new ATOM 920 N GLN A 60 -4.845 -2.445 6.616 1.00 0.00 N ATOM 921 CA GLN A 60 -4.184 -3.764 6.421 1.00 0.00 C ATOM 922 C GLN A 60 -5.162 -4.781 5.779 1.00 0.00 C ATOM 923 O GLN A 60 -6.307 -4.932 6.220 1.00 0.00 O ATOM 924 CB GLN A 60 -3.522 -4.295 7.717 1.00 0.00 C ATOM 925 CG GLN A 60 -4.415 -4.571 8.946 1.00 0.00 C ATOM 926 CD GLN A 60 -3.623 -5.186 10.111 1.00 0.00 C ATOM 927 OE1 GLN A 60 -3.440 -6.402 10.186 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.132 -4.372 11.034 1.00 0.00 N ATOM 0 H GLN A 60 -5.511 -2.429 7.389 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.362 -3.621 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.006 -5.222 7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.759 -3.576 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.877 -3.640 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.223 -5.245 8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.289 -3.367 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.597 -4.751 11.816 1.00 0.00 H new ATOM 937 N ASN A 61 -4.681 -5.466 4.729 1.00 0.00 N ATOM 938 CA ASN A 61 -5.495 -6.432 3.941 1.00 0.00 C ATOM 939 C ASN A 61 -4.644 -7.701 3.660 1.00 0.00 C ATOM 940 O ASN A 61 -3.457 -7.626 3.318 1.00 0.00 O ATOM 941 CB ASN A 61 -6.001 -5.834 2.601 1.00 0.00 C ATOM 942 CG ASN A 61 -6.828 -4.535 2.667 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.681 -4.345 3.533 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.591 -3.621 1.742 1.00 0.00 N ATOM 0 H ASN A 61 -3.721 -5.373 4.396 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.377 -6.681 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.134 -5.648 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.605 -6.592 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.118 -2.747 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.881 -3.789 1.029 1.00 0.00 H new ATOM 951 N GLU A 62 -5.288 -8.869 3.810 1.00 0.00 N ATOM 952 CA GLU A 62 -4.625 -10.197 3.708 1.00 0.00 C ATOM 953 C GLU A 62 -5.274 -10.971 2.528 1.00 0.00 C ATOM 954 O GLU A 62 -6.502 -11.122 2.469 1.00 0.00 O ATOM 955 CB GLU A 62 -4.775 -10.989 5.040 1.00 0.00 C ATOM 956 CG GLU A 62 -3.902 -10.534 6.235 1.00 0.00 C ATOM 957 CD GLU A 62 -4.310 -9.215 6.908 1.00 0.00 C ATOM 958 OE1 GLU A 62 -5.364 -9.179 7.581 1.00 0.00 O ATOM 959 OE2 GLU A 62 -3.581 -8.208 6.765 1.00 0.00 O ATOM 0 H GLU A 62 -6.287 -8.929 4.006 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.558 -10.070 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.820 -10.940 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.551 -12.036 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.915 -11.322 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.872 -10.439 5.891 1.00 0.00 H new ATOM 966 N PHE A 63 -4.437 -11.459 1.595 1.00 0.00 N ATOM 967 CA PHE A 63 -4.903 -12.150 0.357 1.00 0.00 C ATOM 968 C PHE A 63 -4.018 -13.387 -0.004 1.00 0.00 C ATOM 969 O PHE A 63 -2.969 -13.636 0.599 1.00 0.00 O ATOM 970 CB PHE A 63 -5.063 -11.104 -0.794 1.00 0.00 C ATOM 971 CG PHE A 63 -3.790 -10.582 -1.489 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.086 -9.477 -0.996 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.335 -11.222 -2.648 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.949 -9.019 -1.660 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.190 -10.775 -3.291 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.502 -9.673 -2.805 1.00 0.00 C ATOM 0 H PHE A 63 -3.422 -11.391 1.668 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.888 -12.583 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.702 -11.546 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.598 -10.244 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.424 -8.978 -0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.878 -12.068 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.415 -8.158 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.833 -11.287 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.618 -9.322 -3.316 1.00 0.00 H new ATOM 986 N THR A 64 -4.458 -14.150 -1.027 1.00 0.00 N ATOM 987 CA THR A 64 -3.656 -15.240 -1.650 1.00 0.00 C ATOM 988 C THR A 64 -3.754 -15.064 -3.196 1.00 0.00 C ATOM 989 O THR A 64 -4.853 -14.934 -3.751 1.00 0.00 O ATOM 990 CB THR A 64 -4.151 -16.643 -1.182 1.00 0.00 C ATOM 991 OG1 THR A 64 -4.185 -16.708 0.240 1.00 0.00 O ATOM 992 CG2 THR A 64 -3.271 -17.815 -1.655 1.00 0.00 C ATOM 0 H THR A 64 -5.379 -14.032 -1.449 1.00 0.00 H new ATOM 0 HA THR A 64 -2.613 -15.178 -1.340 1.00 0.00 H new ATOM 0 HB THR A 64 -5.139 -16.749 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.498 -17.593 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.686 -18.753 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.244 -17.833 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.259 -17.689 -1.269 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.600 -15.111 -3.895 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.543 -15.059 -5.388 1.00 0.00 C ATOM 1002 C VAL A 65 -3.122 -16.357 -6.036 1.00 0.00 C ATOM 1003 O VAL A 65 -2.833 -17.472 -5.588 1.00 0.00 O ATOM 1004 CB VAL A 65 -1.115 -14.724 -5.942 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -0.714 -13.258 -5.702 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.032 -15.642 -5.467 1.00 0.00 C ATOM 0 H VAL A 65 -1.684 -15.185 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.183 -14.227 -5.682 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.236 -14.913 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.283 -13.083 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.427 -12.600 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.714 -13.051 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.970 -15.314 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.112 -15.593 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.175 -16.669 -5.769 1.00 0.00 H new ATOM 1016 N GLY A 66 -3.973 -16.181 -7.063 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.831 -17.273 -7.586 1.00 0.00 C ATOM 1018 C GLY A 66 -6.308 -17.186 -7.136 1.00 0.00 C ATOM 1019 O GLY A 66 -7.207 -17.224 -7.980 1.00 0.00 O ATOM 0 H GLY A 66 -4.089 -15.293 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.793 -17.260 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.420 -18.230 -7.264 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.550 -17.086 -5.814 1.00 0.00 N ATOM 1024 CA GLU A 67 -7.911 -16.938 -5.232 1.00 0.00 C ATOM 1025 C GLU A 67 -8.485 -15.499 -5.422 1.00 0.00 C ATOM 1026 O GLU A 67 -7.742 -14.512 -5.489 1.00 0.00 O ATOM 1027 CB GLU A 67 -7.857 -17.296 -3.718 1.00 0.00 C ATOM 1028 CG GLU A 67 -7.563 -18.780 -3.400 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.535 -19.081 -1.898 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.619 -19.183 -1.282 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.432 -19.226 -1.328 1.00 0.00 O ATOM 0 H GLU A 67 -5.809 -17.105 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.579 -17.618 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.092 -16.681 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.810 -17.026 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.320 -19.404 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.603 -19.055 -3.837 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.829 -15.403 -5.470 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.548 -14.101 -5.510 1.00 0.00 C ATOM 1040 C GLU A 68 -10.778 -13.603 -4.053 1.00 0.00 C ATOM 1041 O GLU A 68 -11.693 -14.065 -3.363 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.867 -14.275 -6.315 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.551 -12.938 -6.669 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.829 -13.108 -7.493 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -13.741 -13.158 -8.740 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.927 -13.185 -6.899 1.00 0.00 O ATOM 0 H GLU A 68 -10.447 -16.214 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.961 -13.337 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.653 -14.820 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.559 -14.886 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.789 -12.406 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.850 -12.316 -7.225 1.00 0.00 H new ATOM 1053 N CYS A 69 -9.915 -12.677 -3.600 1.00 0.00 N ATOM 1054 CA CYS A 69 -9.894 -12.206 -2.192 1.00 0.00 C ATOM 1055 C CYS A 69 -10.599 -10.834 -2.022 1.00 0.00 C ATOM 1056 O CYS A 69 -10.592 -9.988 -2.923 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.427 -12.110 -1.738 1.00 0.00 C ATOM 1058 SG CYS A 69 -7.638 -13.756 -1.764 1.00 0.00 S ATOM 0 H CYS A 69 -9.213 -12.232 -4.191 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.443 -12.918 -1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.882 -11.429 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.378 -11.693 -0.732 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.224 -14.058 -0.569 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.165 -10.621 -0.821 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.793 -9.331 -0.422 1.00 0.00 C ATOM 1066 C GLU A 70 -10.745 -8.379 0.223 1.00 0.00 C ATOM 1067 O GLU A 70 -10.024 -8.775 1.146 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.050 -9.578 0.455 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.857 -10.232 1.840 1.00 0.00 C ATOM 1070 CD GLU A 70 -12.958 -9.274 3.033 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -11.965 -8.583 3.351 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -14.038 -9.208 3.661 1.00 0.00 O ATOM 0 H GLU A 70 -11.204 -11.334 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.150 -8.814 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.544 -8.618 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.736 -10.204 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.603 -11.017 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.880 -10.715 1.863 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.658 -7.135 -0.286 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.644 -6.141 0.165 1.00 0.00 C ATOM 1081 C LEU A 71 -10.356 -4.778 0.385 1.00 0.00 C ATOM 1082 O LEU A 71 -10.975 -4.238 -0.536 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.467 -5.983 -0.847 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.653 -7.273 -1.193 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.005 -7.812 -2.593 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.133 -7.067 -1.088 1.00 0.00 C ATOM 0 H LEU A 71 -11.279 -6.785 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.202 -6.499 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.870 -5.577 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.774 -5.242 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.943 -8.010 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.419 -8.708 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.067 -8.056 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.779 -7.053 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.622 -7.996 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.823 -6.284 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.875 -6.775 -0.070 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.232 -4.200 1.595 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.799 -2.860 1.920 1.00 0.00 C ATOM 1100 C GLU A 72 -9.932 -1.740 1.272 1.00 0.00 C ATOM 1101 O GLU A 72 -8.774 -1.551 1.655 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.885 -2.718 3.465 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.584 -1.432 3.964 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.543 -1.285 5.488 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -10.457 -0.996 6.038 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -12.594 -1.451 6.143 1.00 0.00 O ATOM 0 H GLU A 72 -9.742 -4.638 2.375 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.804 -2.759 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.416 -3.581 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.875 -2.747 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.107 -0.565 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.622 -1.437 3.632 1.00 0.00 H new ATOM 1113 N THR A 73 -10.499 -0.996 0.304 1.00 0.00 N ATOM 1114 CA THR A 73 -9.755 0.064 -0.441 1.00 0.00 C ATOM 1115 C THR A 73 -9.587 1.384 0.386 1.00 0.00 C ATOM 1116 O THR A 73 -9.979 1.489 1.555 1.00 0.00 O ATOM 1117 CB THR A 73 -10.367 0.205 -1.877 1.00 0.00 C ATOM 1118 OG1 THR A 73 -9.455 0.872 -2.744 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.727 0.920 -1.972 1.00 0.00 C ATOM 0 H THR A 73 -11.470 -1.102 0.012 1.00 0.00 H new ATOM 0 HA THR A 73 -8.716 -0.232 -0.588 1.00 0.00 H new ATOM 0 HB THR A 73 -10.547 -0.827 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.851 0.951 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.047 0.956 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.466 0.376 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.632 1.935 -1.586 1.00 0.00 H new ATOM 1127 N MET A 74 -8.970 2.386 -0.259 1.00 0.00 N ATOM 1128 CA MET A 74 -8.709 3.728 0.341 1.00 0.00 C ATOM 1129 C MET A 74 -9.977 4.548 0.745 1.00 0.00 C ATOM 1130 O MET A 74 -9.943 5.192 1.799 1.00 0.00 O ATOM 1131 CB MET A 74 -7.777 4.561 -0.579 1.00 0.00 C ATOM 1132 CG MET A 74 -6.337 4.029 -0.736 1.00 0.00 C ATOM 1133 SD MET A 74 -5.488 3.961 0.860 1.00 0.00 S ATOM 1134 CE MET A 74 -4.957 5.673 1.063 1.00 0.00 C ATOM 0 H MET A 74 -8.632 2.300 -1.217 1.00 0.00 H new ATOM 0 HA MET A 74 -8.213 3.519 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.232 4.620 -1.568 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.728 5.578 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.360 3.034 -1.181 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.782 4.671 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.420 5.778 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.300 5.951 0.238 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.829 6.326 1.068 1.00 0.00 H new ATOM 1144 N THR A 75 -11.083 4.511 -0.036 1.00 0.00 N ATOM 1145 CA THR A 75 -12.403 5.053 0.403 1.00 0.00 C ATOM 1146 C THR A 75 -13.031 4.115 1.488 1.00 0.00 C ATOM 1147 O THR A 75 -13.090 4.510 2.656 1.00 0.00 O ATOM 1148 CB THR A 75 -13.337 5.359 -0.814 1.00 0.00 C ATOM 1149 OG1 THR A 75 -12.670 6.166 -1.782 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.628 6.100 -0.421 1.00 0.00 C ATOM 0 H THR A 75 -11.093 4.112 -0.975 1.00 0.00 H new ATOM 0 HA THR A 75 -12.259 6.021 0.882 1.00 0.00 H new ATOM 0 HB THR A 75 -13.597 4.382 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.274 6.342 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.229 6.281 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.196 5.492 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.374 7.052 0.044 1.00 0.00 H new ATOM 1158 N GLY A 76 -13.459 2.895 1.110 1.00 0.00 N ATOM 1159 CA GLY A 76 -13.955 1.884 2.067 1.00 0.00 C ATOM 1160 C GLY A 76 -14.919 0.911 1.371 1.00 0.00 C ATOM 1161 O GLY A 76 -16.137 1.104 1.435 1.00 0.00 O ATOM 0 H GLY A 76 -13.471 2.583 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.115 1.333 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.463 2.377 2.896 1.00 0.00 H new ATOM 1165 N GLU A 77 -14.366 -0.116 0.701 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.159 -1.085 -0.096 1.00 0.00 C ATOM 1167 C GLU A 77 -14.356 -2.410 -0.179 1.00 0.00 C ATOM 1168 O GLU A 77 -13.214 -2.426 -0.653 1.00 0.00 O ATOM 1169 CB GLU A 77 -15.471 -0.523 -1.515 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.485 -1.366 -2.317 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.799 -0.786 -3.697 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.606 0.165 -3.783 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -16.245 -1.282 -4.703 1.00 0.00 O ATOM 0 H GLU A 77 -13.363 -0.302 0.693 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.120 -1.265 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.856 0.492 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.542 -0.457 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.093 -2.376 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.410 -1.448 -1.746 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.001 -3.528 0.210 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.441 -4.896 0.030 1.00 0.00 C ATOM 1182 C LYS A 78 -14.577 -5.318 -1.462 1.00 0.00 C ATOM 1183 O LYS A 78 -15.671 -5.652 -1.933 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.156 -5.904 0.975 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.603 -6.015 2.413 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.843 -4.797 3.326 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.386 -5.051 4.774 1.00 0.00 C ATOM 1188 NZ LYS A 78 -14.707 -3.908 5.645 1.00 0.00 N ATOM 0 H LYS A 78 -15.919 -3.516 0.655 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.383 -4.896 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.208 -5.627 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.112 -6.892 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.048 -6.891 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.529 -6.195 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.310 -3.935 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.904 -4.546 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.869 -5.950 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.312 -5.234 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.909 -4.250 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.898 -3.255 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.541 -3.411 5.272 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.447 -5.262 -2.189 1.00 0.00 N ATOM 1203 CA VAL A 79 -13.395 -5.525 -3.653 1.00 0.00 C ATOM 1204 C VAL A 79 -12.927 -6.992 -3.876 1.00 0.00 C ATOM 1205 O VAL A 79 -11.821 -7.376 -3.482 1.00 0.00 O ATOM 1206 CB VAL A 79 -12.535 -4.477 -4.439 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.215 -3.090 -4.510 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -11.069 -4.302 -3.972 1.00 0.00 C ATOM 0 H VAL A 79 -12.539 -5.034 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.395 -5.405 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.480 -4.924 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.578 -2.401 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.177 -3.182 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.370 -2.709 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.577 -3.552 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.055 -3.980 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.542 -5.251 -4.065 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.791 -7.798 -4.519 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.528 -9.239 -4.775 1.00 0.00 C ATOM 1220 C LYS A 80 -12.755 -9.351 -6.121 1.00 0.00 C ATOM 1221 O LYS A 80 -13.349 -9.257 -7.202 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.858 -10.044 -4.784 1.00 0.00 C ATOM 1223 CG LYS A 80 -15.569 -10.284 -3.428 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.258 -9.050 -2.797 1.00 0.00 C ATOM 1225 CE LYS A 80 -17.250 -9.352 -1.656 1.00 0.00 C ATOM 1226 NZ LYS A 80 -16.602 -9.820 -0.416 1.00 0.00 N ATOM 0 H LYS A 80 -14.690 -7.477 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.919 -9.670 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.557 -9.527 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.657 -11.017 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.319 -11.063 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.836 -10.669 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.487 -8.381 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.788 -8.511 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.824 -8.452 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.959 -10.108 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.327 -10.003 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.076 -10.696 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.946 -9.091 -0.071 1.00 0.00 H new ATOM 1240 N THR A 81 -11.418 -9.493 -6.028 1.00 0.00 N ATOM 1241 CA THR A 81 -10.496 -9.337 -7.188 1.00 0.00 C ATOM 1242 C THR A 81 -9.370 -10.414 -7.147 1.00 0.00 C ATOM 1243 O THR A 81 -8.874 -10.787 -6.076 1.00 0.00 O ATOM 1244 CB THR A 81 -9.976 -7.867 -7.276 1.00 0.00 C ATOM 1245 OG1 THR A 81 -9.294 -7.684 -8.510 1.00 0.00 O ATOM 1246 CG2 THR A 81 -9.054 -7.383 -6.139 1.00 0.00 C ATOM 0 H THR A 81 -10.941 -9.718 -5.155 1.00 0.00 H new ATOM 0 HA THR A 81 -11.038 -9.518 -8.117 1.00 0.00 H new ATOM 0 HB THR A 81 -10.879 -7.263 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.330 -7.626 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.765 -6.348 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.583 -7.451 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.162 -8.008 -6.103 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.965 -10.892 -8.340 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.962 -11.985 -8.489 1.00 0.00 C ATOM 1256 C VAL A 82 -6.579 -11.319 -8.764 1.00 0.00 C ATOM 1257 O VAL A 82 -6.418 -10.557 -9.724 1.00 0.00 O ATOM 1258 CB VAL A 82 -8.359 -13.016 -9.604 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -7.369 -14.203 -9.667 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -9.774 -13.622 -9.445 1.00 0.00 C ATOM 0 H VAL A 82 -9.318 -10.538 -9.229 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.917 -12.572 -7.572 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.334 -12.422 -10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.679 -14.894 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.368 -13.831 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.362 -14.722 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.963 -14.323 -10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.840 -14.146 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.517 -12.825 -9.473 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.589 -11.652 -7.917 1.00 0.00 N ATOM 1271 CA VAL A 83 -4.211 -11.089 -8.001 1.00 0.00 C ATOM 1272 C VAL A 83 -3.275 -12.206 -8.565 1.00 0.00 C ATOM 1273 O VAL A 83 -3.304 -13.345 -8.091 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.716 -10.537 -6.615 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.426 -9.694 -6.771 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.743 -9.704 -5.802 1.00 0.00 C ATOM 0 H VAL A 83 -5.712 -12.317 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.199 -10.229 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.537 -11.447 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.111 -9.327 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.637 -10.312 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.622 -8.848 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.288 -9.378 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.045 -8.832 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.618 -10.316 -5.586 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.428 -11.866 -9.556 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.403 -12.798 -10.111 1.00 0.00 C ATOM 1288 C GLN A 84 0.020 -12.299 -9.742 1.00 0.00 C ATOM 1289 O GLN A 84 0.345 -11.116 -9.880 1.00 0.00 O ATOM 1290 CB GLN A 84 -1.524 -12.932 -11.657 1.00 0.00 C ATOM 1291 CG GLN A 84 -2.450 -14.052 -12.184 1.00 0.00 C ATOM 1292 CD GLN A 84 -3.950 -13.942 -11.856 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.532 -12.860 -11.766 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.608 -15.079 -11.693 1.00 0.00 N ATOM 0 H GLN A 84 -2.427 -10.947 -9.998 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.577 -13.781 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.879 -11.981 -12.055 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.526 -13.095 -12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.344 -14.095 -13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.088 -15.002 -11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.115 -15.969 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.608 -15.065 -11.491 1.00 0.00 H new ATOM 1303 N LEU A 85 0.876 -13.257 -9.347 1.00 0.00 N ATOM 1304 CA LEU A 85 2.323 -13.025 -9.133 1.00 0.00 C ATOM 1305 C LEU A 85 3.079 -13.409 -10.436 1.00 0.00 C ATOM 1306 O LEU A 85 3.070 -14.576 -10.844 1.00 0.00 O ATOM 1307 CB LEU A 85 2.779 -13.854 -7.898 1.00 0.00 C ATOM 1308 CG LEU A 85 4.279 -13.761 -7.521 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.723 -12.328 -7.158 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.627 -14.733 -6.377 1.00 0.00 C ATOM 0 H LEU A 85 0.587 -14.218 -9.165 1.00 0.00 H new ATOM 0 HA LEU A 85 2.544 -11.979 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.190 -13.537 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.537 -14.901 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 85 4.832 -14.050 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.783 -12.329 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.555 -11.668 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.145 -11.973 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.686 -14.645 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.032 -14.488 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.410 -15.755 -6.689 1.00 0.00 H new ATOM 1322 N GLU A 86 3.746 -12.417 -11.053 1.00 0.00 N ATOM 1323 CA GLU A 86 4.570 -12.626 -12.271 1.00 0.00 C ATOM 1324 C GLU A 86 6.037 -12.233 -11.943 1.00 0.00 C ATOM 1325 O GLU A 86 6.346 -11.085 -11.607 1.00 0.00 O ATOM 1326 CB GLU A 86 3.993 -11.801 -13.444 1.00 0.00 C ATOM 1327 CG GLU A 86 4.546 -12.157 -14.840 1.00 0.00 C ATOM 1328 CD GLU A 86 3.883 -11.337 -15.950 1.00 0.00 C ATOM 1329 OE1 GLU A 86 4.377 -10.231 -16.265 1.00 0.00 O ATOM 1330 OE2 GLU A 86 2.860 -11.792 -16.509 1.00 0.00 O ATOM 0 H GLU A 86 3.733 -11.450 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 86 4.552 -13.672 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.911 -11.929 -13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.187 -10.746 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.622 -11.986 -14.857 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.389 -13.219 -15.031 1.00 0.00 H new ATOM 1337 N GLY A 87 6.920 -13.225 -12.078 1.00 0.00 N ATOM 1338 CA GLY A 87 8.391 -13.040 -11.949 1.00 0.00 C ATOM 1339 C GLY A 87 9.056 -12.804 -10.571 1.00 0.00 C ATOM 1340 O GLY A 87 10.220 -12.396 -10.531 1.00 0.00 O ATOM 0 H GLY A 87 6.647 -14.187 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.861 -13.923 -12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.661 -12.194 -12.581 1.00 0.00 H new ATOM 1344 N ASP A 88 8.321 -13.014 -9.467 1.00 0.00 N ATOM 1345 CA ASP A 88 8.689 -12.523 -8.102 1.00 0.00 C ATOM 1346 C ASP A 88 8.927 -10.971 -7.995 1.00 0.00 C ATOM 1347 O ASP A 88 9.886 -10.515 -7.364 1.00 0.00 O ATOM 1348 CB ASP A 88 9.788 -13.418 -7.456 1.00 0.00 C ATOM 1349 CG ASP A 88 9.861 -13.335 -5.922 1.00 0.00 C ATOM 1350 OD1 ASP A 88 9.048 -14.001 -5.243 1.00 0.00 O ATOM 1351 OD2 ASP A 88 10.724 -12.602 -5.391 1.00 0.00 O ATOM 0 H ASP A 88 7.443 -13.533 -9.483 1.00 0.00 H new ATOM 0 HA ASP A 88 7.803 -12.644 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.609 -14.454 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.757 -13.136 -7.869 1.00 0.00 H new ATOM 1356 N ASN A 89 8.041 -10.170 -8.621 1.00 0.00 N ATOM 1357 CA ASN A 89 8.163 -8.688 -8.680 1.00 0.00 C ATOM 1358 C ASN A 89 6.809 -7.956 -8.924 1.00 0.00 C ATOM 1359 O ASN A 89 6.597 -6.914 -8.303 1.00 0.00 O ATOM 1360 CB ASN A 89 9.291 -8.184 -9.629 1.00 0.00 C ATOM 1361 CG ASN A 89 9.127 -8.393 -11.151 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.851 -9.493 -11.629 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.314 -7.346 -11.941 1.00 0.00 N ATOM 0 H ASN A 89 7.216 -10.528 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 89 8.477 -8.407 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.418 -7.116 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.219 -8.669 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.229 -7.449 -12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.542 -6.437 -11.538 1.00 0.00 H new ATOM 1370 N LYS A 90 5.919 -8.453 -9.806 1.00 0.00 N ATOM 1371 CA LYS A 90 4.632 -7.786 -10.145 1.00 0.00 C ATOM 1372 C LYS A 90 3.452 -8.474 -9.404 1.00 0.00 C ATOM 1373 O LYS A 90 3.313 -9.700 -9.453 1.00 0.00 O ATOM 1374 CB LYS A 90 4.388 -7.853 -11.674 1.00 0.00 C ATOM 1375 CG LYS A 90 5.348 -7.016 -12.545 1.00 0.00 C ATOM 1376 CD LYS A 90 5.146 -7.272 -14.050 1.00 0.00 C ATOM 1377 CE LYS A 90 6.107 -6.448 -14.922 1.00 0.00 C ATOM 1378 NZ LYS A 90 5.993 -6.811 -16.345 1.00 0.00 N ATOM 0 H LYS A 90 6.066 -9.329 -10.308 1.00 0.00 H new ATOM 0 HA LYS A 90 4.690 -6.744 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.457 -8.894 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.368 -7.526 -11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.195 -5.957 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.378 -7.250 -12.274 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.291 -8.332 -14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.118 -7.032 -14.321 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.892 -5.387 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.132 -6.607 -14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.655 -6.236 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.222 -7.818 -16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.021 -6.635 -16.671 1.00 0.00 H new ATOM 1392 N LEU A 91 2.573 -7.670 -8.777 1.00 0.00 N ATOM 1393 CA LEU A 91 1.245 -8.141 -8.290 1.00 0.00 C ATOM 1394 C LEU A 91 0.166 -7.351 -9.080 1.00 0.00 C ATOM 1395 O LEU A 91 -0.117 -6.190 -8.768 1.00 0.00 O ATOM 1396 CB LEU A 91 1.092 -7.983 -6.753 1.00 0.00 C ATOM 1397 CG LEU A 91 1.968 -8.920 -5.875 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.107 -8.375 -4.440 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.432 -10.363 -5.854 1.00 0.00 C ATOM 0 H LEU A 91 2.752 -6.683 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 91 1.132 -9.210 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.325 -6.951 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.046 -8.150 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 91 2.957 -8.943 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.725 -9.053 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.574 -7.390 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.120 -8.296 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.076 -10.981 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.419 -10.369 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.421 -10.762 -6.868 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.398 -7.991 -10.122 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.303 -7.327 -11.107 1.00 0.00 C ATOM 1413 C VAL A 92 -2.786 -7.626 -10.740 1.00 0.00 C ATOM 1414 O VAL A 92 -3.184 -8.795 -10.671 1.00 0.00 O ATOM 1415 CB VAL A 92 -0.950 -7.682 -12.596 1.00 0.00 C ATOM 1416 CG1 VAL A 92 0.439 -7.154 -13.016 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.059 -9.175 -12.997 1.00 0.00 C ATOM 0 H VAL A 92 -0.246 -8.981 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.151 -6.250 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.740 -7.165 -13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.633 -7.426 -14.053 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.461 -6.069 -12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.204 -7.593 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.790 -9.290 -14.047 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.381 -9.767 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.082 -9.519 -12.844 1.00 0.00 H new ATOM 1427 N THR A 93 -3.596 -6.574 -10.493 1.00 0.00 N ATOM 1428 CA THR A 93 -5.018 -6.745 -10.070 1.00 0.00 C ATOM 1429 C THR A 93 -5.868 -5.505 -10.462 1.00 0.00 C ATOM 1430 O THR A 93 -5.517 -4.374 -10.120 1.00 0.00 O ATOM 1431 CB THR A 93 -5.136 -7.112 -8.559 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.481 -7.449 -8.249 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.649 -6.063 -7.542 1.00 0.00 C ATOM 0 H THR A 93 -3.300 -5.601 -10.576 1.00 0.00 H new ATOM 0 HA THR A 93 -5.431 -7.595 -10.614 1.00 0.00 H new ATOM 0 HB THR A 93 -4.450 -7.952 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.822 -6.838 -7.563 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.788 -6.445 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.592 -5.856 -7.710 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.222 -5.144 -7.664 1.00 0.00 H new ATOM 1441 N THR A 94 -7.009 -5.741 -11.138 1.00 0.00 N ATOM 1442 CA THR A 94 -7.954 -4.663 -11.556 1.00 0.00 C ATOM 1443 C THR A 94 -9.268 -4.746 -10.723 1.00 0.00 C ATOM 1444 O THR A 94 -9.884 -5.811 -10.603 1.00 0.00 O ATOM 1445 CB THR A 94 -8.146 -4.623 -13.100 1.00 0.00 C ATOM 1446 OG1 THR A 94 -8.814 -3.416 -13.457 1.00 0.00 O ATOM 1447 CG2 THR A 94 -8.907 -5.798 -13.736 1.00 0.00 C ATOM 0 H THR A 94 -7.309 -6.676 -11.413 1.00 0.00 H new ATOM 0 HA THR A 94 -7.520 -3.690 -11.326 1.00 0.00 H new ATOM 0 HB THR A 94 -7.133 -4.692 -13.495 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.936 -3.385 -14.429 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.972 -5.649 -14.814 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.378 -6.728 -13.530 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.912 -5.851 -13.316 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.668 -3.603 -10.144 1.00 0.00 N ATOM 1456 CA PHE A 95 -10.761 -3.528 -9.134 1.00 0.00 C ATOM 1457 C PHE A 95 -11.484 -2.161 -9.264 1.00 0.00 C ATOM 1458 O PHE A 95 -10.857 -1.106 -9.129 1.00 0.00 O ATOM 1459 CB PHE A 95 -10.254 -3.805 -7.688 1.00 0.00 C ATOM 1460 CG PHE A 95 -9.107 -2.940 -7.119 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -9.383 -1.758 -6.422 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -7.777 -3.341 -7.287 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.344 -0.984 -5.911 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -6.741 -2.567 -6.772 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.025 -1.388 -6.088 1.00 0.00 C ATOM 0 H PHE A 95 -9.249 -2.698 -10.356 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.481 -4.321 -9.337 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.106 -3.706 -7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.934 -4.846 -7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.407 -1.445 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.553 -4.254 -7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.562 -0.071 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.716 -2.881 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.219 -0.786 -5.694 1.00 0.00 H new ATOM 1475 N LYS A 96 -12.805 -2.190 -9.539 1.00 0.00 N ATOM 1476 CA LYS A 96 -13.622 -0.986 -9.891 1.00 0.00 C ATOM 1477 C LYS A 96 -13.276 -0.572 -11.356 1.00 0.00 C ATOM 1478 O LYS A 96 -13.794 -1.169 -12.304 1.00 0.00 O ATOM 1479 CB LYS A 96 -13.663 0.157 -8.822 1.00 0.00 C ATOM 1480 CG LYS A 96 -14.138 -0.249 -7.407 1.00 0.00 C ATOM 1481 CD LYS A 96 -13.968 0.842 -6.323 1.00 0.00 C ATOM 1482 CE LYS A 96 -14.810 2.127 -6.473 1.00 0.00 C ATOM 1483 NZ LYS A 96 -16.259 1.898 -6.314 1.00 0.00 N ATOM 0 H LYS A 96 -13.349 -3.053 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.677 -1.258 -9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.664 0.584 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.318 0.947 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.191 -0.527 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.588 -1.138 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.202 0.396 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.917 1.129 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.481 2.857 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.624 2.562 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.749 2.812 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.621 1.378 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.430 1.342 -5.452 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.334 0.373 -11.526 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.478 0.455 -12.739 1.00 0.00 C ATOM 1499 C ASN A 97 -10.083 0.984 -12.278 1.00 0.00 C ATOM 1500 O ASN A 97 -9.696 2.102 -12.621 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.183 1.315 -13.833 1.00 0.00 C ATOM 1502 CG ASN A 97 -11.461 1.354 -15.197 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -11.297 0.333 -15.864 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -11.022 2.524 -15.636 1.00 0.00 N ATOM 0 H ASN A 97 -12.140 1.099 -10.837 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.322 -0.513 -13.214 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.191 0.929 -13.983 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.284 2.335 -13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.543 2.584 -16.535 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.163 3.365 -15.076 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.337 0.191 -11.481 1.00 0.00 N ATOM 1512 CA ILE A 98 -8.064 0.632 -10.837 1.00 0.00 C ATOM 1513 C ILE A 98 -7.101 -0.560 -11.068 1.00 0.00 C ATOM 1514 O ILE A 98 -7.102 -1.517 -10.283 1.00 0.00 O ATOM 1515 CB ILE A 98 -8.230 0.998 -9.311 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -9.245 2.149 -9.032 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.868 1.337 -8.650 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -9.764 2.233 -7.587 1.00 0.00 C ATOM 0 H ILE A 98 -9.592 -0.772 -11.261 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.689 1.560 -11.268 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.644 0.096 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.772 3.098 -9.286 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -10.098 2.029 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.025 1.584 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.203 0.477 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.418 2.189 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -10.462 3.065 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -10.272 1.304 -7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.926 2.389 -6.908 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.268 -0.482 -12.124 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.304 -1.567 -12.450 1.00 0.00 C ATOM 1532 C LYS A 99 -3.974 -1.324 -11.684 1.00 0.00 C ATOM 1533 O LYS A 99 -3.100 -0.577 -12.134 1.00 0.00 O ATOM 1534 CB LYS A 99 -5.155 -1.704 -13.985 1.00 0.00 C ATOM 1535 CG LYS A 99 -4.413 -2.987 -14.430 1.00 0.00 C ATOM 1536 CD LYS A 99 -4.359 -3.208 -15.955 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.703 -3.641 -16.576 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.570 -3.903 -18.019 1.00 0.00 N ATOM 0 H LYS A 99 -6.238 0.311 -12.765 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.673 -2.535 -12.111 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.146 -1.693 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.620 -0.835 -14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.393 -2.952 -14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.897 -3.848 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.030 -2.286 -16.434 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.608 -3.967 -16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.065 -4.538 -16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.448 -2.862 -16.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.491 -4.192 -18.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.248 -3.039 -18.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.877 -4.663 -18.171 1.00 0.00 H new ATOM 1552 N SER A 100 -3.861 -1.980 -10.515 1.00 0.00 N ATOM 1553 CA SER A 100 -2.690 -1.876 -9.616 1.00 0.00 C ATOM 1554 C SER A 100 -1.587 -2.854 -10.078 1.00 0.00 C ATOM 1555 O SER A 100 -1.664 -4.059 -9.826 1.00 0.00 O ATOM 1556 CB SER A 100 -3.164 -2.176 -8.175 1.00 0.00 C ATOM 1557 OG SER A 100 -2.115 -1.959 -7.238 1.00 0.00 O ATOM 0 H SER A 100 -4.586 -2.604 -10.161 1.00 0.00 H new ATOM 0 HA SER A 100 -2.262 -0.874 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.014 -1.540 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.508 -3.208 -8.109 1.00 0.00 H new ATOM 0 HG SER A 100 -2.439 -2.154 -6.334 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.566 -2.304 -10.754 1.00 0.00 N ATOM 1564 CA VAL A 101 0.626 -3.071 -11.201 1.00 0.00 C ATOM 1565 C VAL A 101 1.723 -2.740 -10.149 1.00 0.00 C ATOM 1566 O VAL A 101 2.366 -1.686 -10.222 1.00 0.00 O ATOM 1567 CB VAL A 101 1.023 -2.689 -12.671 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.350 -3.341 -13.128 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -0.073 -3.028 -13.710 1.00 0.00 C ATOM 0 H VAL A 101 -0.536 -1.317 -11.010 1.00 0.00 H new ATOM 0 HA VAL A 101 0.453 -4.146 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 101 1.150 -1.607 -12.634 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.570 -3.039 -14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.159 -3.018 -12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.257 -4.426 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.266 -2.738 -14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.272 -4.100 -13.692 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.986 -2.485 -13.466 1.00 0.00 H new ATOM 1579 N THR A 102 1.915 -3.641 -9.169 1.00 0.00 N ATOM 1580 CA THR A 102 2.810 -3.383 -8.008 1.00 0.00 C ATOM 1581 C THR A 102 4.211 -3.981 -8.335 1.00 0.00 C ATOM 1582 O THR A 102 4.504 -5.122 -7.972 1.00 0.00 O ATOM 1583 CB THR A 102 2.148 -3.928 -6.706 1.00 0.00 C ATOM 1584 OG1 THR A 102 0.791 -3.505 -6.587 1.00 0.00 O ATOM 1585 CG2 THR A 102 2.864 -3.488 -5.421 1.00 0.00 C ATOM 0 H THR A 102 1.466 -4.557 -9.151 1.00 0.00 H new ATOM 0 HA THR A 102 2.959 -2.319 -7.826 1.00 0.00 H new ATOM 0 HB THR A 102 2.218 -5.011 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.757 -2.527 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.348 -3.905 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.893 -3.847 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.860 -2.400 -5.357 1.00 0.00 H new ATOM 1593 N GLU A 103 5.047 -3.206 -9.059 1.00 0.00 N ATOM 1594 CA GLU A 103 6.286 -3.714 -9.704 1.00 0.00 C ATOM 1595 C GLU A 103 7.496 -3.406 -8.794 1.00 0.00 C ATOM 1596 O GLU A 103 7.742 -2.258 -8.424 1.00 0.00 O ATOM 1597 CB GLU A 103 6.456 -3.034 -11.085 1.00 0.00 C ATOM 1598 CG GLU A 103 7.577 -3.608 -11.981 1.00 0.00 C ATOM 1599 CD GLU A 103 7.746 -2.823 -13.286 1.00 0.00 C ATOM 1600 OE1 GLU A 103 8.173 -1.648 -13.236 1.00 0.00 O ATOM 1601 OE2 GLU A 103 7.460 -3.378 -14.370 1.00 0.00 O ATOM 0 H GLU A 103 4.886 -2.211 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 103 6.221 -4.792 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.512 -3.107 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.651 -1.973 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.518 -3.599 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.354 -4.649 -12.214 1.00 0.00 H new ATOM 1608 N LEU A 104 8.258 -4.449 -8.476 1.00 0.00 N ATOM 1609 CA LEU A 104 9.363 -4.377 -7.488 1.00 0.00 C ATOM 1610 C LEU A 104 10.704 -4.333 -8.268 1.00 0.00 C ATOM 1611 O LEU A 104 11.171 -5.353 -8.787 1.00 0.00 O ATOM 1612 CB LEU A 104 9.225 -5.562 -6.490 1.00 0.00 C ATOM 1613 CG LEU A 104 9.857 -5.363 -5.089 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.595 -6.601 -4.219 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.361 -5.043 -5.091 1.00 0.00 C ATOM 0 H LEU A 104 8.138 -5.374 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 104 9.327 -3.473 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.164 -5.776 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.674 -6.445 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 104 9.371 -4.479 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.042 -6.456 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.521 -6.749 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.037 -7.478 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.709 -4.922 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.906 -5.859 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.536 -4.121 -5.645 1.00 0.00 H new ATOM 1627 N ASN A 105 11.304 -3.131 -8.349 1.00 0.00 N ATOM 1628 CA ASN A 105 12.486 -2.876 -9.217 1.00 0.00 C ATOM 1629 C ASN A 105 13.776 -2.885 -8.347 1.00 0.00 C ATOM 1630 O ASN A 105 14.162 -1.862 -7.773 1.00 0.00 O ATOM 1631 CB ASN A 105 12.295 -1.544 -10.002 1.00 0.00 C ATOM 1632 CG ASN A 105 11.116 -1.515 -11.001 1.00 0.00 C ATOM 1633 OD1 ASN A 105 10.024 -1.041 -10.686 1.00 0.00 O ATOM 1634 ND2 ASN A 105 11.306 -2.027 -12.208 1.00 0.00 N ATOM 0 H ASN A 105 10.994 -2.313 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 105 12.588 -3.666 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.157 -0.737 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.214 -1.331 -10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.544 -2.031 -12.886 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.214 -2.417 -12.459 1.00 0.00 H new ATOM 1641 N GLY A 106 14.424 -4.062 -8.235 1.00 0.00 N ATOM 1642 CA GLY A 106 15.627 -4.241 -7.387 1.00 0.00 C ATOM 1643 C GLY A 106 15.265 -4.415 -5.897 1.00 0.00 C ATOM 1644 O GLY A 106 14.677 -5.433 -5.522 1.00 0.00 O ATOM 0 H GLY A 106 14.134 -4.909 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.185 -5.113 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.283 -3.378 -7.502 1.00 0.00 H new ATOM 1648 N ASP A 107 15.582 -3.398 -5.076 1.00 0.00 N ATOM 1649 CA ASP A 107 14.979 -3.245 -3.719 1.00 0.00 C ATOM 1650 C ASP A 107 14.357 -1.823 -3.545 1.00 0.00 C ATOM 1651 O ASP A 107 14.681 -1.084 -2.608 1.00 0.00 O ATOM 1652 CB ASP A 107 16.004 -3.600 -2.608 1.00 0.00 C ATOM 1653 CG ASP A 107 16.446 -5.070 -2.545 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.576 -5.962 -2.435 1.00 0.00 O ATOM 1655 OD2 ASP A 107 17.667 -5.337 -2.607 1.00 0.00 O ATOM 0 H ASP A 107 16.250 -2.666 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 107 14.160 -3.957 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.890 -2.980 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.574 -3.329 -1.644 1.00 0.00 H new ATOM 1660 N ILE A 108 13.400 -1.476 -4.427 1.00 0.00 N ATOM 1661 CA ILE A 108 12.411 -0.389 -4.192 1.00 0.00 C ATOM 1662 C ILE A 108 10.975 -0.995 -4.371 1.00 0.00 C ATOM 1663 O ILE A 108 10.792 -2.211 -4.263 1.00 0.00 O ATOM 1664 CB ILE A 108 12.731 0.897 -5.029 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.605 0.711 -6.565 1.00 0.00 C ATOM 1666 CG2 ILE A 108 14.074 1.577 -4.669 1.00 0.00 C ATOM 1667 CD1 ILE A 108 11.982 1.914 -7.274 1.00 0.00 C ATOM 0 H ILE A 108 13.285 -1.939 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 108 12.470 -0.014 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 108 11.937 1.580 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.594 0.525 -6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.001 -0.174 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.215 2.458 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.061 1.876 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.893 0.877 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.924 1.716 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.980 2.088 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.597 2.797 -7.101 1.00 0.00 H new ATOM 1679 N ILE A 109 9.936 -0.176 -4.643 1.00 0.00 N ATOM 1680 CA ILE A 109 8.644 -0.675 -5.180 1.00 0.00 C ATOM 1681 C ILE A 109 7.909 0.497 -5.892 1.00 0.00 C ATOM 1682 O ILE A 109 7.561 1.512 -5.279 1.00 0.00 O ATOM 1683 CB ILE A 109 7.790 -1.488 -4.139 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.784 -2.450 -4.828 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.114 -0.633 -3.038 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.338 -3.618 -3.938 1.00 0.00 C ATOM 0 H ILE A 109 9.963 0.834 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 109 8.838 -1.438 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 109 8.521 -2.095 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.905 -1.883 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.239 -2.849 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.549 -1.282 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.878 -0.103 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.440 0.088 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.637 -4.246 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.207 -4.210 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.853 -3.229 -3.043 1.00 0.00 H new ATOM 1698 N THR A 110 7.676 0.310 -7.199 1.00 0.00 N ATOM 1699 CA THR A 110 6.974 1.288 -8.070 1.00 0.00 C ATOM 1700 C THR A 110 5.522 0.760 -8.272 1.00 0.00 C ATOM 1701 O THR A 110 5.254 -0.060 -9.158 1.00 0.00 O ATOM 1702 CB THR A 110 7.772 1.457 -9.398 1.00 0.00 C ATOM 1703 OG1 THR A 110 9.113 1.858 -9.128 1.00 0.00 O ATOM 1704 CG2 THR A 110 7.183 2.495 -10.369 1.00 0.00 C ATOM 0 H THR A 110 7.970 -0.531 -7.695 1.00 0.00 H new ATOM 0 HA THR A 110 6.915 2.282 -7.627 1.00 0.00 H new ATOM 0 HB THR A 110 7.719 0.477 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.601 1.958 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.801 2.547 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.170 2.202 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.160 3.472 -9.887 1.00 0.00 H new ATOM 1712 N ASN A 111 4.601 1.252 -7.425 1.00 0.00 N ATOM 1713 CA ASN A 111 3.171 0.851 -7.446 1.00 0.00 C ATOM 1714 C ASN A 111 2.383 1.811 -8.375 1.00 0.00 C ATOM 1715 O ASN A 111 2.206 2.989 -8.057 1.00 0.00 O ATOM 1716 CB ASN A 111 2.635 0.826 -5.990 1.00 0.00 C ATOM 1717 CG ASN A 111 1.166 0.375 -5.841 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.740 -0.644 -6.384 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.363 1.132 -5.114 1.00 0.00 N ATOM 0 H ASN A 111 4.821 1.939 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 111 3.045 -0.153 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.265 0.161 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.737 1.824 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.617 0.873 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.723 1.975 -4.667 1.00 0.00 H new ATOM 1726 N THR A 112 1.927 1.271 -9.517 1.00 0.00 N ATOM 1727 CA THR A 112 1.365 2.075 -10.634 1.00 0.00 C ATOM 1728 C THR A 112 -0.145 1.720 -10.760 1.00 0.00 C ATOM 1729 O THR A 112 -0.518 0.739 -11.411 1.00 0.00 O ATOM 1730 CB THR A 112 2.201 1.808 -11.921 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.590 2.022 -11.679 1.00 0.00 O ATOM 1732 CG2 THR A 112 1.821 2.701 -13.112 1.00 0.00 C ATOM 0 H THR A 112 1.934 0.267 -9.700 1.00 0.00 H new ATOM 0 HA THR A 112 1.428 3.149 -10.456 1.00 0.00 H new ATOM 0 HB THR A 112 1.983 0.771 -12.175 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.096 1.847 -12.500 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.449 2.453 -13.968 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.775 2.538 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.970 3.747 -12.844 1.00 0.00 H new ATOM 1740 N MET A 113 -0.996 2.543 -10.121 1.00 0.00 N ATOM 1741 CA MET A 113 -2.471 2.347 -10.092 1.00 0.00 C ATOM 1742 C MET A 113 -3.121 3.223 -11.195 1.00 0.00 C ATOM 1743 O MET A 113 -3.293 4.436 -11.031 1.00 0.00 O ATOM 1744 CB MET A 113 -3.051 2.688 -8.694 1.00 0.00 C ATOM 1745 CG MET A 113 -2.733 1.682 -7.579 1.00 0.00 C ATOM 1746 SD MET A 113 -3.603 2.180 -6.079 1.00 0.00 S ATOM 1747 CE MET A 113 -3.494 0.667 -5.103 1.00 0.00 C ATOM 0 H MET A 113 -0.687 3.368 -9.606 1.00 0.00 H new ATOM 0 HA MET A 113 -2.698 1.299 -10.287 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.675 3.666 -8.394 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.134 2.775 -8.782 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.039 0.679 -7.877 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.659 1.647 -7.398 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.492 0.366 -4.786 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.051 -0.125 -5.707 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.873 0.844 -4.225 1.00 0.00 H new ATOM 1757 N THR A 114 -3.476 2.583 -12.322 1.00 0.00 N ATOM 1758 CA THR A 114 -3.990 3.288 -13.528 1.00 0.00 C ATOM 1759 C THR A 114 -5.544 3.333 -13.479 1.00 0.00 C ATOM 1760 O THR A 114 -6.221 2.340 -13.762 1.00 0.00 O ATOM 1761 CB THR A 114 -3.444 2.668 -14.851 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.795 1.298 -14.976 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.923 2.783 -15.032 1.00 0.00 C ATOM 0 H THR A 114 -3.419 1.571 -12.431 1.00 0.00 H new ATOM 0 HA THR A 114 -3.620 4.313 -13.520 1.00 0.00 H new ATOM 0 HB THR A 114 -3.920 3.265 -15.629 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.744 1.183 -14.762 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.634 2.326 -15.978 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.635 3.834 -15.034 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.419 2.271 -14.212 1.00 0.00 H new ATOM 1771 N LEU A 115 -6.084 4.513 -13.121 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.546 4.781 -13.115 1.00 0.00 C ATOM 1773 C LEU A 115 -7.911 5.552 -14.417 1.00 0.00 C ATOM 1774 O LEU A 115 -7.990 6.785 -14.423 1.00 0.00 O ATOM 1775 CB LEU A 115 -7.884 5.515 -11.780 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.320 6.077 -11.561 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.437 5.026 -11.700 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.410 6.769 -10.188 1.00 0.00 C ATOM 0 H LEU A 115 -5.523 5.313 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.158 3.879 -13.132 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.675 4.823 -10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.188 6.347 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.488 6.797 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.405 5.499 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.411 4.598 -12.702 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.287 4.236 -10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.417 7.159 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.183 6.049 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.694 7.589 -10.146 1.00 0.00 H new ATOM 1790 N GLY A 116 -8.093 4.806 -15.525 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.313 5.397 -16.866 1.00 0.00 C ATOM 1792 C GLY A 116 -7.025 5.997 -17.469 1.00 0.00 C ATOM 1793 O GLY A 116 -6.133 5.259 -17.898 1.00 0.00 O ATOM 0 H GLY A 116 -8.092 3.786 -15.520 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.701 4.631 -17.537 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.073 6.175 -16.796 1.00 0.00 H new ATOM 1797 N ASP A 117 -6.945 7.337 -17.451 1.00 0.00 N ATOM 1798 CA ASP A 117 -5.686 8.090 -17.755 1.00 0.00 C ATOM 1799 C ASP A 117 -4.894 8.605 -16.502 1.00 0.00 C ATOM 1800 O ASP A 117 -3.813 9.177 -16.683 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.014 9.280 -18.704 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.455 8.890 -20.124 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -5.582 8.562 -20.959 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.673 8.907 -20.407 1.00 0.00 O ATOM 0 H ASP A 117 -7.738 7.939 -17.229 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.020 7.371 -18.233 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.803 9.879 -18.249 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.133 9.917 -18.778 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.383 8.412 -15.255 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.757 8.954 -14.018 1.00 0.00 C ATOM 1811 C ILE A 118 -3.754 7.872 -13.517 1.00 0.00 C ATOM 1812 O ILE A 118 -4.159 6.866 -12.926 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.859 9.332 -12.962 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.870 10.414 -13.459 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -5.227 9.797 -11.626 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -8.182 10.494 -12.662 1.00 0.00 C ATOM 0 H ILE A 118 -6.229 7.872 -15.074 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.215 9.882 -14.202 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.423 8.412 -12.806 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.382 11.388 -13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.109 10.214 -14.503 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.017 10.051 -10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.615 8.995 -11.214 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.604 10.674 -11.804 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.817 11.274 -13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.699 9.536 -12.716 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.961 10.729 -11.621 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.452 8.103 -13.757 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.388 7.096 -13.483 1.00 0.00 C ATOM 1830 C VAL A 119 -0.769 7.456 -12.098 1.00 0.00 C ATOM 1831 O VAL A 119 0.180 8.245 -12.021 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.357 7.036 -14.669 1.00 0.00 C ATOM 1833 CG1 VAL A 119 0.736 5.967 -14.447 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.996 6.770 -16.057 1.00 0.00 C ATOM 0 H VAL A 119 -2.100 8.980 -14.142 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.783 6.082 -13.425 1.00 0.00 H new ATOM 0 HB VAL A 119 0.079 8.035 -14.673 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.422 5.967 -15.294 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.287 6.194 -13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.271 4.985 -14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.216 6.744 -16.818 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.518 5.813 -16.040 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.704 7.565 -16.290 1.00 0.00 H new ATOM 1844 N PHE A 120 -1.317 6.861 -11.017 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.837 7.080 -9.624 1.00 0.00 C ATOM 1846 C PHE A 120 0.407 6.198 -9.357 1.00 0.00 C ATOM 1847 O PHE A 120 0.292 5.037 -8.956 1.00 0.00 O ATOM 1848 CB PHE A 120 -2.017 6.835 -8.637 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.751 6.851 -7.110 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.794 7.691 -6.520 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -2.515 6.015 -6.287 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.613 7.693 -5.141 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -2.347 6.037 -4.904 1.00 0.00 C ATOM 1854 CZ PHE A 120 -1.403 6.882 -4.331 1.00 0.00 C ATOM 0 H PHE A 120 -2.104 6.215 -11.079 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.512 8.109 -9.472 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.777 7.588 -8.844 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.452 5.866 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.194 8.340 -7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.241 5.347 -6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.142 8.325 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.950 5.397 -4.277 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.283 6.909 -3.258 1.00 0.00 H new ATOM 1864 N LYS A 121 1.586 6.792 -9.595 1.00 0.00 N ATOM 1865 CA LYS A 121 2.875 6.058 -9.568 1.00 0.00 C ATOM 1866 C LYS A 121 3.699 6.550 -8.353 1.00 0.00 C ATOM 1867 O LYS A 121 4.234 7.665 -8.351 1.00 0.00 O ATOM 1868 CB LYS A 121 3.557 6.196 -10.952 1.00 0.00 C ATOM 1869 CG LYS A 121 4.807 5.305 -11.133 1.00 0.00 C ATOM 1870 CD LYS A 121 5.217 5.009 -12.595 1.00 0.00 C ATOM 1871 CE LYS A 121 5.752 6.183 -13.440 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.695 7.089 -13.929 1.00 0.00 N ATOM 0 H LYS A 121 1.681 7.785 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 121 2.752 4.986 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.833 5.949 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.842 7.237 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.647 5.784 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.630 4.356 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.981 4.232 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.350 4.593 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.462 6.755 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.301 5.785 -14.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.729 7.134 -14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.766 6.732 -13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.844 8.040 -13.536 1.00 0.00 H new ATOM 1886 N ARG A 122 3.759 5.690 -7.318 1.00 0.00 N ATOM 1887 CA ARG A 122 4.424 5.995 -6.026 1.00 0.00 C ATOM 1888 C ARG A 122 5.693 5.108 -5.865 1.00 0.00 C ATOM 1889 O ARG A 122 5.630 3.875 -5.912 1.00 0.00 O ATOM 1890 CB ARG A 122 3.427 5.918 -4.838 1.00 0.00 C ATOM 1891 CG ARG A 122 2.776 4.555 -4.496 1.00 0.00 C ATOM 1892 CD ARG A 122 1.824 4.591 -3.282 1.00 0.00 C ATOM 1893 NE ARG A 122 2.549 4.767 -1.995 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.971 5.130 -0.834 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.664 5.349 -0.690 1.00 0.00 N ATOM 1896 NH2 ARG A 122 2.745 5.282 0.225 1.00 0.00 N ATOM 0 H ARG A 122 3.347 4.758 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 122 4.768 7.029 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.948 6.267 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.623 6.627 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.223 4.202 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.564 3.828 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.111 5.405 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.249 3.666 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 122 3.555 4.601 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.038 5.243 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.290 5.622 0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.750 5.125 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.338 5.556 1.119 1.00 0.00 H new ATOM 1910 N ILE A 123 6.844 5.775 -5.694 1.00 0.00 N ATOM 1911 CA ILE A 123 8.189 5.140 -5.670 1.00 0.00 C ATOM 1912 C ILE A 123 8.574 5.091 -4.163 1.00 0.00 C ATOM 1913 O ILE A 123 8.674 6.146 -3.532 1.00 0.00 O ATOM 1914 CB ILE A 123 9.202 5.961 -6.558 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.889 5.977 -8.091 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.659 5.454 -6.398 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.775 6.922 -8.568 1.00 0.00 C ATOM 0 H ILE A 123 6.877 6.786 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 123 8.205 4.137 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 123 9.084 6.976 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.805 6.239 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.625 4.963 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 123 11.322 6.048 -7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.965 5.550 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.715 4.408 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.661 6.834 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.837 6.654 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.035 7.949 -8.313 1.00 0.00 H new ATOM 1929 N SER A 124 8.777 3.887 -3.598 1.00 0.00 N ATOM 1930 CA SER A 124 8.970 3.711 -2.132 1.00 0.00 C ATOM 1931 C SER A 124 10.115 2.692 -1.870 1.00 0.00 C ATOM 1932 O SER A 124 10.007 1.526 -2.253 1.00 0.00 O ATOM 1933 CB SER A 124 7.643 3.242 -1.485 1.00 0.00 C ATOM 1934 OG SER A 124 6.605 4.204 -1.645 1.00 0.00 O ATOM 0 H SER A 124 8.813 3.016 -4.128 1.00 0.00 H new ATOM 0 HA SER A 124 9.253 4.662 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.335 2.297 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.803 3.054 -0.423 1.00 0.00 H new ATOM 0 HG SER A 124 5.784 3.872 -1.226 1.00 0.00 H new ATOM 1940 N LYS A 125 11.214 3.124 -1.218 1.00 0.00 N ATOM 1941 CA LYS A 125 12.451 2.308 -1.077 1.00 0.00 C ATOM 1942 C LYS A 125 12.429 1.387 0.176 1.00 0.00 C ATOM 1943 O LYS A 125 12.057 1.815 1.272 1.00 0.00 O ATOM 1944 CB LYS A 125 13.676 3.260 -1.113 1.00 0.00 C ATOM 1945 CG LYS A 125 15.066 2.582 -0.999 1.00 0.00 C ATOM 1946 CD LYS A 125 16.225 3.290 -1.735 1.00 0.00 C ATOM 1947 CE LYS A 125 16.499 4.755 -1.356 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.060 4.914 -0.002 1.00 0.00 N ATOM 0 H LYS A 125 11.275 4.041 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 125 12.519 1.614 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.645 3.825 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.577 3.979 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.325 2.505 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.985 1.565 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 125 17.137 2.718 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 125 16.023 3.249 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 125 17.189 5.187 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.570 5.320 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.221 5.923 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.393 4.530 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.962 4.401 0.062 1.00 0.00 H new ATOM 1962 N ARG A 126 12.905 0.135 -0.007 1.00 0.00 N ATOM 1963 CA ARG A 126 12.966 -0.889 1.064 1.00 0.00 C ATOM 1964 C ARG A 126 14.011 -0.528 2.160 1.00 0.00 C ATOM 1965 O ARG A 126 15.192 -0.316 1.866 1.00 0.00 O ATOM 1966 CB ARG A 126 13.294 -2.261 0.409 1.00 0.00 C ATOM 1967 CG ARG A 126 12.809 -3.460 1.249 1.00 0.00 C ATOM 1968 CD ARG A 126 13.049 -4.844 0.614 1.00 0.00 C ATOM 1969 NE ARG A 126 14.440 -5.325 0.795 1.00 0.00 N ATOM 1970 CZ ARG A 126 14.818 -6.616 0.705 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.990 -7.617 0.415 1.00 0.00 N ATOM 1972 NH2 ARG A 126 16.087 -6.908 0.917 1.00 0.00 N ATOM 0 H ARG A 126 13.259 -0.196 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 126 12.001 -0.935 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.834 -2.306 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.371 -2.339 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.308 -3.431 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.742 -3.344 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.360 -5.565 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.822 -4.795 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 126 15.160 -4.632 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.002 -7.429 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.343 -8.572 0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.750 -6.166 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.405 -7.875 0.856 1.00 0.00 H new ATOM 1986 N ILE A 127 13.534 -0.446 3.412 1.00 0.00 N ATOM 1987 CA ILE A 127 14.345 -0.003 4.577 1.00 0.00 C ATOM 1988 C ILE A 127 14.121 -0.997 5.733 1.00 0.00 C ATOM 1989 O ILE A 127 13.002 -1.296 6.157 1.00 0.00 O ATOM 1990 CB ILE A 127 14.122 1.498 4.984 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.641 1.897 5.266 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.780 2.456 3.958 1.00 0.00 C ATOM 1993 CD1 ILE A 127 12.444 3.221 6.019 1.00 0.00 C ATOM 0 H ILE A 127 12.572 -0.684 3.655 1.00 0.00 H new ATOM 0 HA ILE A 127 15.397 -0.019 4.292 1.00 0.00 H new ATOM 0 HB ILE A 127 14.621 1.604 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.112 1.958 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.171 1.099 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.611 3.488 4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 127 15.852 2.262 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.341 2.292 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.379 3.403 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.937 3.164 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.877 4.037 5.440 1.00 0.00 H new TER 2005 ILE A 127