USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 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 102 THR OG1 : rot -64:sc= 1.23 USER MOD Set 1.2: A 111 ASN : amide:sc= 1.03 K(o=2.3,f=-1.4) USER MOD Set 2.1: A 100 SER OG : rot 150:sc= 0.288 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 142:sc= 0.987 USER MOD Set 3.2: A 93 THR OG1 : rot 23:sc= 0.0168 USER MOD Set 4.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.3: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 30 GLN : amide:sc= 0.0899 X(o=0.16,f=-0.087) USER MOD Set 5.2: A 33 LYS NZ :NH3+ -134:sc= 0.073 (180deg=0) USER MOD Set 6.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 43 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.86) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 169:sc= 0.156 USER MOD Single : A 8 GLN : amide:sc= 0.00731 K(o=0.0073,f=-0.71) USER MOD Single : A 10 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.401 K(o=0.4,f=-0.14) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 MET CE :methyl -169:sc= -1.81 (180deg=-2.26) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 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 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0097 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.166 (180deg=0.0547) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=0.84) USER MOD Single : A 69 CYS SG : rot 68:sc= 0.942 USER MOD Single : A 73 THR OG1 : rot 18:sc= 0.0407 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 110:sc= 0.671 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0064) USER MOD Single : A 89 ASN : amide:sc= 0.0022 X(o=0.0022,f=0) 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+ -105:sc= -0.0146 (180deg=-0.42) 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 105 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 9.569 -10.728 12.904 1.00 0.00 N ATOM 2 CA SER A 2 9.122 -10.880 14.294 1.00 0.00 C ATOM 3 C SER A 2 8.709 -9.498 14.857 1.00 0.00 C ATOM 4 O SER A 2 9.542 -8.598 15.011 1.00 0.00 O ATOM 5 CB SER A 2 10.222 -11.571 15.128 1.00 0.00 C ATOM 6 OG SER A 2 9.759 -11.841 16.446 1.00 0.00 O ATOM 0 HA SER A 2 8.243 -11.523 14.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.521 -12.501 14.645 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.106 -10.935 15.171 1.00 0.00 H new ATOM 0 HG SER A 2 10.469 -12.280 16.959 1.00 0.00 H new ATOM 12 N PHE A 3 7.413 -9.356 15.176 1.00 0.00 N ATOM 13 CA PHE A 3 6.824 -8.068 15.646 1.00 0.00 C ATOM 14 C PHE A 3 7.050 -7.658 17.133 1.00 0.00 C ATOM 15 O PHE A 3 6.750 -6.503 17.449 1.00 0.00 O ATOM 16 CB PHE A 3 5.293 -8.082 15.378 1.00 0.00 C ATOM 17 CG PHE A 3 4.849 -7.956 13.917 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.873 -6.707 13.288 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.334 -9.062 13.234 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.356 -6.560 12.004 1.00 0.00 C ATOM 21 CE2 PHE A 3 3.815 -8.909 11.954 1.00 0.00 C ATOM 22 CZ PHE A 3 3.813 -7.656 11.348 1.00 0.00 C ATOM 0 H PHE A 3 6.738 -10.119 15.120 1.00 0.00 H new ATOM 0 HA PHE A 3 7.371 -7.320 15.073 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.886 -9.010 15.778 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.841 -7.266 15.942 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.294 -5.854 13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.340 -10.036 13.701 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.377 -5.595 11.519 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.413 -9.763 11.429 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.387 -7.536 10.363 1.00 0.00 H new ATOM 32 N SER A 4 7.519 -8.536 18.047 1.00 0.00 N ATOM 33 CA SER A 4 7.472 -8.261 19.509 1.00 0.00 C ATOM 34 C SER A 4 8.475 -7.146 19.939 1.00 0.00 C ATOM 35 O SER A 4 9.694 -7.357 19.941 1.00 0.00 O ATOM 36 CB SER A 4 7.680 -9.578 20.287 1.00 0.00 C ATOM 37 OG SER A 4 7.433 -9.389 21.675 1.00 0.00 O ATOM 0 H SER A 4 7.933 -9.436 17.805 1.00 0.00 H new ATOM 0 HA SER A 4 6.486 -7.867 19.756 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.013 -10.346 19.896 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.699 -9.936 20.140 1.00 0.00 H new ATOM 0 HG SER A 4 7.569 -10.236 22.150 1.00 0.00 H new ATOM 43 N GLY A 5 7.934 -5.960 20.263 1.00 0.00 N ATOM 44 CA GLY A 5 8.751 -4.767 20.559 1.00 0.00 C ATOM 45 C GLY A 5 7.942 -3.452 20.617 1.00 0.00 C ATOM 46 O GLY A 5 6.828 -3.331 20.095 1.00 0.00 O ATOM 0 H GLY A 5 6.929 -5.800 20.327 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.257 -4.913 21.513 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.526 -4.672 19.799 1.00 0.00 H new ATOM 50 N LYS A 6 8.580 -2.444 21.232 1.00 0.00 N ATOM 51 CA LYS A 6 8.066 -1.048 21.286 1.00 0.00 C ATOM 52 C LYS A 6 8.435 -0.281 19.984 1.00 0.00 C ATOM 53 O LYS A 6 9.584 -0.332 19.532 1.00 0.00 O ATOM 54 CB LYS A 6 8.687 -0.303 22.500 1.00 0.00 C ATOM 55 CG LYS A 6 8.206 -0.759 23.894 1.00 0.00 C ATOM 56 CD LYS A 6 8.889 0.034 25.027 1.00 0.00 C ATOM 57 CE LYS A 6 8.401 -0.377 26.427 1.00 0.00 C ATOM 58 NZ LYS A 6 9.116 0.363 27.480 1.00 0.00 N ATOM 0 H LYS A 6 9.472 -2.565 21.711 1.00 0.00 H new ATOM 0 HA LYS A 6 6.981 -1.086 21.388 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.770 -0.418 22.456 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.475 0.761 22.395 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.125 -0.634 23.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.413 -1.822 24.019 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.967 -0.113 24.967 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.703 1.098 24.881 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.330 -0.190 26.511 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.550 -1.448 26.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.766 0.065 28.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.135 0.165 27.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.953 1.383 27.359 1.00 0.00 H new ATOM 72 N TYR A 7 7.457 0.440 19.408 1.00 0.00 N ATOM 73 CA TYR A 7 7.667 1.241 18.168 1.00 0.00 C ATOM 74 C TYR A 7 7.039 2.636 18.408 1.00 0.00 C ATOM 75 O TYR A 7 5.815 2.789 18.328 1.00 0.00 O ATOM 76 CB TYR A 7 7.073 0.578 16.889 1.00 0.00 C ATOM 77 CG TYR A 7 7.523 -0.858 16.560 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.659 -1.097 15.782 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.755 -1.942 17.003 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.030 -2.402 15.460 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.127 -3.243 16.684 1.00 0.00 C ATOM 82 CZ TYR A 7 8.264 -3.475 15.916 1.00 0.00 C ATOM 83 OH TYR A 7 8.624 -4.760 15.602 1.00 0.00 O ATOM 0 H TYR A 7 6.507 0.491 19.776 1.00 0.00 H new ATOM 0 HA TYR A 7 8.738 1.312 17.977 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.987 0.577 16.984 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.318 1.211 16.037 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.253 -0.267 15.428 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.869 -1.766 17.595 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.909 -2.582 14.859 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.533 -4.075 17.033 1.00 0.00 H new ATOM 0 HH TYR A 7 8.091 -5.388 16.132 1.00 0.00 H new ATOM 93 N GLN A 8 7.874 3.655 18.695 1.00 0.00 N ATOM 94 CA GLN A 8 7.388 5.044 18.912 1.00 0.00 C ATOM 95 C GLN A 8 7.230 5.786 17.559 1.00 0.00 C ATOM 96 O GLN A 8 8.081 5.705 16.667 1.00 0.00 O ATOM 97 CB GLN A 8 8.289 5.815 19.912 1.00 0.00 C ATOM 98 CG GLN A 8 7.619 7.095 20.473 1.00 0.00 C ATOM 99 CD GLN A 8 8.377 7.841 21.582 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.521 7.547 21.935 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.728 8.847 22.150 1.00 0.00 N ATOM 0 H GLN A 8 8.885 3.549 18.783 1.00 0.00 H new ATOM 0 HA GLN A 8 6.400 4.993 19.370 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.549 5.156 20.740 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.221 6.087 19.417 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.460 7.786 19.645 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.635 6.824 20.856 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.782 9.079 21.848 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.175 9.389 22.889 1.00 0.00 H new ATOM 110 N LEU A 9 6.117 6.527 17.454 1.00 0.00 N ATOM 111 CA LEU A 9 5.712 7.234 16.217 1.00 0.00 C ATOM 112 C LEU A 9 6.647 8.439 15.891 1.00 0.00 C ATOM 113 O LEU A 9 6.908 9.304 16.731 1.00 0.00 O ATOM 114 CB LEU A 9 4.206 7.583 16.383 1.00 0.00 C ATOM 115 CG LEU A 9 3.473 8.270 15.199 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.592 7.496 13.872 1.00 0.00 C ATOM 117 CD2 LEU A 9 1.986 8.462 15.566 1.00 0.00 C ATOM 0 H LEU A 9 5.464 6.657 18.227 1.00 0.00 H new ATOM 0 HA LEU A 9 5.827 6.607 15.333 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.674 6.659 16.612 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.109 8.231 17.254 1.00 0.00 H new ATOM 0 HG LEU A 9 3.959 9.232 15.036 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.057 8.033 13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.643 7.405 13.597 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.161 6.502 13.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.466 8.944 14.738 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.532 7.491 15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.909 9.087 16.456 1.00 0.00 H new ATOM 129 N GLN A 10 7.169 8.430 14.656 1.00 0.00 N ATOM 130 CA GLN A 10 8.152 9.424 14.155 1.00 0.00 C ATOM 131 C GLN A 10 7.463 10.475 13.232 1.00 0.00 C ATOM 132 O GLN A 10 7.457 11.659 13.583 1.00 0.00 O ATOM 133 CB GLN A 10 9.339 8.658 13.494 1.00 0.00 C ATOM 134 CG GLN A 10 10.638 9.470 13.285 1.00 0.00 C ATOM 135 CD GLN A 10 11.353 9.868 14.588 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.298 11.020 15.020 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.013 8.929 15.249 1.00 0.00 N ATOM 0 H GLN A 10 6.922 7.725 13.961 1.00 0.00 H new ATOM 0 HA GLN A 10 8.566 10.012 14.974 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.572 7.789 14.110 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.009 8.283 12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.324 8.885 12.672 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.401 10.374 12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.052 7.978 14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.482 9.157 16.125 1.00 0.00 H new ATOM 146 N SER A 11 6.898 10.052 12.078 1.00 0.00 N ATOM 147 CA SER A 11 6.198 10.949 11.123 1.00 0.00 C ATOM 148 C SER A 11 4.817 10.332 10.781 1.00 0.00 C ATOM 149 O SER A 11 4.732 9.242 10.210 1.00 0.00 O ATOM 150 CB SER A 11 7.070 11.137 9.863 1.00 0.00 C ATOM 151 OG SER A 11 6.469 12.055 8.956 1.00 0.00 O ATOM 0 H SER A 11 6.913 9.077 11.780 1.00 0.00 H new ATOM 0 HA SER A 11 6.035 11.933 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.057 11.499 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.214 10.176 9.370 1.00 0.00 H new ATOM 0 HG SER A 11 7.042 12.158 8.167 1.00 0.00 H new ATOM 157 N GLN A 12 3.743 11.063 11.117 1.00 0.00 N ATOM 158 CA GLN A 12 2.339 10.651 10.838 1.00 0.00 C ATOM 159 C GLN A 12 1.786 11.488 9.654 1.00 0.00 C ATOM 160 O GLN A 12 1.422 12.661 9.800 1.00 0.00 O ATOM 161 CB GLN A 12 1.450 10.698 12.117 1.00 0.00 C ATOM 162 CG GLN A 12 1.441 12.016 12.930 1.00 0.00 C ATOM 163 CD GLN A 12 1.197 11.874 14.442 1.00 0.00 C ATOM 164 OE1 GLN A 12 2.137 11.774 15.230 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.044 11.883 14.892 1.00 0.00 N ATOM 0 H GLN A 12 3.814 11.963 11.593 1.00 0.00 H new ATOM 0 HA GLN A 12 2.320 9.604 10.535 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.424 10.477 11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.771 9.895 12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.397 12.517 12.782 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.672 12.669 12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.823 11.966 14.239 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.224 11.807 15.893 1.00 0.00 H new ATOM 174 N GLU A 13 1.730 10.843 8.477 1.00 0.00 N ATOM 175 CA GLU A 13 1.165 11.421 7.232 1.00 0.00 C ATOM 176 C GLU A 13 -0.387 11.420 7.300 1.00 0.00 C ATOM 177 O GLU A 13 -0.999 10.377 7.543 1.00 0.00 O ATOM 178 CB GLU A 13 1.681 10.551 6.052 1.00 0.00 C ATOM 179 CG GLU A 13 1.268 11.005 4.635 1.00 0.00 C ATOM 180 CD GLU A 13 1.736 10.023 3.557 1.00 0.00 C ATOM 181 OE1 GLU A 13 1.005 9.049 3.267 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.840 10.215 3.003 1.00 0.00 O ATOM 0 H GLU A 13 2.079 9.892 8.355 1.00 0.00 H new ATOM 0 HA GLU A 13 1.477 12.457 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.770 10.523 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.329 9.530 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.184 11.104 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.687 11.991 4.434 1.00 0.00 H new ATOM 189 N ASN A 14 -0.999 12.591 7.046 1.00 0.00 N ATOM 190 CA ASN A 14 -2.481 12.751 6.917 1.00 0.00 C ATOM 191 C ASN A 14 -3.321 12.498 8.217 1.00 0.00 C ATOM 192 O ASN A 14 -4.416 11.935 8.139 1.00 0.00 O ATOM 193 CB ASN A 14 -3.046 12.008 5.657 1.00 0.00 C ATOM 194 CG ASN A 14 -2.556 12.476 4.267 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.860 13.479 4.109 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.925 11.751 3.223 1.00 0.00 N ATOM 0 H ASN A 14 -0.487 13.465 6.922 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.617 13.820 6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.808 10.949 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.132 12.094 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.633 12.023 2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.502 10.920 3.357 1.00 0.00 H new ATOM 203 N PHE A 15 -2.866 12.966 9.402 1.00 0.00 N ATOM 204 CA PHE A 15 -3.675 12.906 10.657 1.00 0.00 C ATOM 205 C PHE A 15 -4.930 13.839 10.639 1.00 0.00 C ATOM 206 O PHE A 15 -6.023 13.369 10.959 1.00 0.00 O ATOM 207 CB PHE A 15 -2.761 13.127 11.898 1.00 0.00 C ATOM 208 CG PHE A 15 -3.378 12.692 13.244 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.179 13.573 13.979 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.129 11.411 13.751 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.712 13.180 15.205 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.656 11.024 14.981 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.443 11.910 15.708 1.00 0.00 C ATOM 0 H PHE A 15 -1.946 13.390 9.523 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.095 11.903 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.830 12.580 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.503 14.184 11.958 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.385 14.561 13.595 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.524 10.718 13.185 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.335 13.861 15.766 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.453 10.037 15.369 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.846 11.613 16.665 1.00 0.00 H new ATOM 223 N GLU A 16 -4.799 15.124 10.251 1.00 0.00 N ATOM 224 CA GLU A 16 -5.960 16.055 10.108 1.00 0.00 C ATOM 225 C GLU A 16 -7.033 15.629 9.053 1.00 0.00 C ATOM 226 O GLU A 16 -8.226 15.700 9.362 1.00 0.00 O ATOM 227 CB GLU A 16 -5.469 17.507 9.861 1.00 0.00 C ATOM 228 CG GLU A 16 -4.756 18.161 11.067 1.00 0.00 C ATOM 229 CD GLU A 16 -4.290 19.590 10.781 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.108 20.528 10.896 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.100 19.782 10.447 1.00 0.00 O ATOM 0 H GLU A 16 -3.900 15.551 10.028 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.485 16.003 11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.788 17.506 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.324 18.123 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.432 18.169 11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.896 17.553 11.347 1.00 0.00 H new ATOM 238 N ALA A 17 -6.626 15.168 7.850 1.00 0.00 N ATOM 239 CA ALA A 17 -7.562 14.624 6.827 1.00 0.00 C ATOM 240 C ALA A 17 -8.251 13.272 7.188 1.00 0.00 C ATOM 241 O ALA A 17 -9.473 13.171 7.054 1.00 0.00 O ATOM 242 CB ALA A 17 -6.822 14.530 5.476 1.00 0.00 C ATOM 0 H ALA A 17 -5.649 15.160 7.557 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.394 15.326 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.497 14.133 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.484 15.522 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.961 13.869 5.578 1.00 0.00 H new ATOM 248 N PHE A 18 -7.487 12.252 7.634 1.00 0.00 N ATOM 249 CA PHE A 18 -8.028 10.906 7.974 1.00 0.00 C ATOM 250 C PHE A 18 -8.900 10.866 9.262 1.00 0.00 C ATOM 251 O PHE A 18 -9.963 10.246 9.224 1.00 0.00 O ATOM 252 CB PHE A 18 -6.856 9.888 8.042 1.00 0.00 C ATOM 253 CG PHE A 18 -7.246 8.400 8.133 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.445 7.629 6.981 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.310 7.782 9.387 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.673 6.260 7.087 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.538 6.415 9.490 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.721 5.656 8.340 1.00 0.00 C ATOM 0 H PHE A 18 -6.479 12.332 7.770 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.718 10.630 7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.233 10.025 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.240 10.133 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.422 8.098 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.181 8.372 10.282 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.813 5.666 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.573 5.944 10.461 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.901 4.594 8.419 1.00 0.00 H new ATOM 268 N MET A 19 -8.461 11.492 10.376 1.00 0.00 N ATOM 269 CA MET A 19 -9.252 11.537 11.641 1.00 0.00 C ATOM 270 C MET A 19 -10.612 12.293 11.544 1.00 0.00 C ATOM 271 O MET A 19 -11.601 11.810 12.100 1.00 0.00 O ATOM 272 CB MET A 19 -8.420 12.061 12.839 1.00 0.00 C ATOM 273 CG MET A 19 -7.168 11.255 13.217 1.00 0.00 C ATOM 274 SD MET A 19 -7.475 9.477 13.157 1.00 0.00 S ATOM 275 CE MET A 19 -5.865 8.904 12.588 1.00 0.00 C ATOM 0 H MET A 19 -7.564 11.975 10.432 1.00 0.00 H new ATOM 0 HA MET A 19 -9.508 10.493 11.821 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.112 13.083 12.618 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.072 12.106 13.712 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.354 11.507 12.537 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.844 11.535 14.219 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.931 7.853 12.309 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.555 9.491 11.723 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.134 9.022 13.387 1.00 0.00 H new ATOM 285 N LYS A 20 -10.680 13.422 10.807 1.00 0.00 N ATOM 286 CA LYS A 20 -11.971 14.071 10.434 1.00 0.00 C ATOM 287 C LYS A 20 -12.917 13.201 9.539 1.00 0.00 C ATOM 288 O LYS A 20 -14.130 13.205 9.770 1.00 0.00 O ATOM 289 CB LYS A 20 -11.652 15.455 9.802 1.00 0.00 C ATOM 290 CG LYS A 20 -12.830 16.453 9.805 1.00 0.00 C ATOM 291 CD LYS A 20 -12.414 17.862 9.338 1.00 0.00 C ATOM 292 CE LYS A 20 -13.567 18.879 9.414 1.00 0.00 C ATOM 293 NZ LYS A 20 -13.135 20.214 8.965 1.00 0.00 N ATOM 0 H LYS A 20 -9.857 13.910 10.454 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.555 14.196 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.815 15.900 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.325 15.303 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.621 16.078 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.246 16.516 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.584 18.213 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.051 17.807 8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.398 18.537 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.935 18.939 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.934 20.877 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.358 20.549 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.807 20.160 7.980 1.00 0.00 H new ATOM 307 N ALA A 21 -12.373 12.450 8.554 1.00 0.00 N ATOM 308 CA ALA A 21 -13.157 11.520 7.700 1.00 0.00 C ATOM 309 C ALA A 21 -13.739 10.254 8.400 1.00 0.00 C ATOM 310 O ALA A 21 -14.916 9.955 8.186 1.00 0.00 O ATOM 311 CB ALA A 21 -12.296 11.140 6.480 1.00 0.00 C ATOM 0 H ALA A 21 -11.379 12.470 8.327 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.055 12.065 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.854 10.457 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.044 12.039 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.380 10.654 6.818 1.00 0.00 H new ATOM 317 N ILE A 22 -12.956 9.528 9.229 1.00 0.00 N ATOM 318 CA ILE A 22 -13.463 8.360 10.022 1.00 0.00 C ATOM 319 C ILE A 22 -14.493 8.726 11.152 1.00 0.00 C ATOM 320 O ILE A 22 -15.435 7.957 11.364 1.00 0.00 O ATOM 321 CB ILE A 22 -12.317 7.408 10.525 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.384 8.046 11.598 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.522 6.783 9.347 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.332 7.130 12.241 1.00 0.00 C ATOM 0 H ILE A 22 -11.965 9.723 9.374 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.045 7.786 9.301 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.825 6.594 11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.865 8.887 11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.010 8.453 12.392 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.740 6.133 9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.198 6.201 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.069 7.576 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.751 7.697 12.968 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.830 6.300 12.742 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.667 6.741 11.469 1.00 0.00 H new ATOM 336 N GLY A 23 -14.317 9.868 11.848 1.00 0.00 N ATOM 337 CA GLY A 23 -15.303 10.391 12.824 1.00 0.00 C ATOM 338 C GLY A 23 -14.732 10.721 14.218 1.00 0.00 C ATOM 339 O GLY A 23 -15.213 10.172 15.211 1.00 0.00 O ATOM 0 H GLY A 23 -13.489 10.455 11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.756 11.292 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.101 9.657 12.940 1.00 0.00 H new ATOM 343 N LEU A 24 -13.765 11.656 14.291 1.00 0.00 N ATOM 344 CA LEU A 24 -13.301 12.259 15.572 1.00 0.00 C ATOM 345 C LEU A 24 -13.800 13.745 15.670 1.00 0.00 C ATOM 346 O LEU A 24 -13.838 14.429 14.640 1.00 0.00 O ATOM 347 CB LEU A 24 -11.744 12.264 15.703 1.00 0.00 C ATOM 348 CG LEU A 24 -10.985 10.963 16.078 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.433 10.349 17.418 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.977 9.913 14.959 1.00 0.00 C ATOM 0 H LEU A 24 -13.280 12.019 13.470 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.714 11.647 16.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.341 12.609 14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.485 13.015 16.450 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.954 11.289 16.212 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.859 9.443 17.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.264 11.066 18.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.494 10.103 17.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.429 9.031 15.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.002 9.633 14.715 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.494 10.328 14.074 1.00 0.00 H new ATOM 362 N PRO A 25 -14.098 14.327 16.874 1.00 0.00 N ATOM 363 CA PRO A 25 -14.272 15.796 17.038 1.00 0.00 C ATOM 364 C PRO A 25 -12.942 16.592 16.866 1.00 0.00 C ATOM 365 O PRO A 25 -11.856 16.076 17.148 1.00 0.00 O ATOM 366 CB PRO A 25 -14.828 15.905 18.471 1.00 0.00 C ATOM 367 CG PRO A 25 -14.275 14.690 19.216 1.00 0.00 C ATOM 368 CD PRO A 25 -14.180 13.593 18.153 1.00 0.00 C ATOM 0 HA PRO A 25 -14.923 16.230 16.279 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.511 16.834 18.945 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.918 15.903 18.470 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.300 14.904 19.653 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.932 14.394 20.033 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.303 12.965 18.308 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.050 12.937 18.180 1.00 0.00 H new ATOM 376 N GLU A 26 -13.048 17.862 16.436 1.00 0.00 N ATOM 377 CA GLU A 26 -11.863 18.748 16.233 1.00 0.00 C ATOM 378 C GLU A 26 -11.000 19.082 17.497 1.00 0.00 C ATOM 379 O GLU A 26 -9.812 19.371 17.337 1.00 0.00 O ATOM 380 CB GLU A 26 -12.306 20.011 15.438 1.00 0.00 C ATOM 381 CG GLU A 26 -11.194 20.792 14.696 1.00 0.00 C ATOM 382 CD GLU A 26 -10.522 20.011 13.556 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.114 19.913 12.458 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.405 19.486 13.758 1.00 0.00 O ATOM 0 H GLU A 26 -13.939 18.308 16.219 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.151 18.165 15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.054 19.707 14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.797 20.694 16.131 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.620 21.709 14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.431 21.087 15.417 1.00 0.00 H new ATOM 391 N GLU A 27 -11.542 18.977 18.731 1.00 0.00 N ATOM 392 CA GLU A 27 -10.734 18.967 19.980 1.00 0.00 C ATOM 393 C GLU A 27 -9.728 17.773 20.092 1.00 0.00 C ATOM 394 O GLU A 27 -8.551 18.022 20.357 1.00 0.00 O ATOM 395 CB GLU A 27 -11.717 19.053 21.180 1.00 0.00 C ATOM 396 CG GLU A 27 -11.100 19.204 22.587 1.00 0.00 C ATOM 397 CD GLU A 27 -10.305 20.497 22.812 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.129 20.564 22.392 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.854 21.450 23.409 1.00 0.00 O ATOM 0 H GLU A 27 -12.546 18.897 18.893 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.074 19.834 19.975 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.384 19.899 21.011 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.334 18.155 21.176 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.900 19.154 23.325 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.443 18.354 22.772 1.00 0.00 H new ATOM 406 N LEU A 28 -10.171 16.516 19.881 1.00 0.00 N ATOM 407 CA LEU A 28 -9.270 15.322 19.848 1.00 0.00 C ATOM 408 C LEU A 28 -8.341 15.188 18.594 1.00 0.00 C ATOM 409 O LEU A 28 -7.271 14.587 18.719 1.00 0.00 O ATOM 410 CB LEU A 28 -10.107 14.026 20.065 1.00 0.00 C ATOM 411 CG LEU A 28 -10.783 13.852 21.460 1.00 0.00 C ATOM 412 CD1 LEU A 28 -11.788 12.687 21.444 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.765 13.649 22.604 1.00 0.00 C ATOM 0 H LEU A 28 -11.154 16.290 19.729 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.569 15.475 20.668 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.886 13.993 19.303 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.456 13.168 19.893 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.311 14.785 21.657 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.245 12.587 22.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.562 12.885 20.703 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.269 11.763 21.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.297 13.534 23.548 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.173 12.755 22.410 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.106 14.515 22.662 1.00 0.00 H new ATOM 425 N ILE A 29 -8.698 15.752 17.418 1.00 0.00 N ATOM 426 CA ILE A 29 -7.781 15.869 16.239 1.00 0.00 C ATOM 427 C ILE A 29 -6.590 16.846 16.520 1.00 0.00 C ATOM 428 O ILE A 29 -5.440 16.448 16.328 1.00 0.00 O ATOM 429 CB ILE A 29 -8.563 16.225 14.917 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.738 15.256 14.591 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.623 16.312 13.681 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.758 15.766 13.562 1.00 0.00 C ATOM 0 H ILE A 29 -9.626 16.141 17.250 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.339 14.886 16.076 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.992 17.206 15.122 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.320 14.318 14.226 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.266 15.031 15.517 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.208 16.559 12.795 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.873 17.085 13.848 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.128 15.352 13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.531 15.012 13.412 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.214 16.686 13.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.253 15.962 12.616 1.00 0.00 H new ATOM 444 N GLN A 30 -6.854 18.097 16.952 1.00 0.00 N ATOM 445 CA GLN A 30 -5.786 19.079 17.303 1.00 0.00 C ATOM 446 C GLN A 30 -4.972 18.723 18.588 1.00 0.00 C ATOM 447 O GLN A 30 -3.747 18.883 18.569 1.00 0.00 O ATOM 448 CB GLN A 30 -6.368 20.519 17.399 1.00 0.00 C ATOM 449 CG GLN A 30 -7.115 21.088 16.165 1.00 0.00 C ATOM 450 CD GLN A 30 -6.257 21.299 14.908 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.616 22.336 14.742 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.237 20.337 13.999 1.00 0.00 N ATOM 0 H GLN A 30 -7.800 18.460 17.069 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.069 19.029 16.484 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.054 20.546 18.246 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.546 21.196 17.633 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.933 20.413 15.915 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.562 22.043 16.442 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.773 19.482 14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.686 20.450 13.148 1.00 0.00 H new ATOM 461 N LYS A 31 -5.613 18.198 19.660 1.00 0.00 N ATOM 462 CA LYS A 31 -4.901 17.472 20.754 1.00 0.00 C ATOM 463 C LYS A 31 -4.721 15.972 20.345 1.00 0.00 C ATOM 464 O LYS A 31 -5.402 15.069 20.841 1.00 0.00 O ATOM 465 CB LYS A 31 -5.656 17.625 22.105 1.00 0.00 C ATOM 466 CG LYS A 31 -5.726 19.054 22.692 1.00 0.00 C ATOM 467 CD LYS A 31 -6.497 19.107 24.026 1.00 0.00 C ATOM 468 CE LYS A 31 -6.547 20.518 24.641 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.326 20.529 25.893 1.00 0.00 N ATOM 0 H LYS A 31 -6.622 18.261 19.796 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.913 17.908 20.900 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.674 17.260 21.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.178 16.976 22.839 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.715 19.430 22.845 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.207 19.716 21.972 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.515 18.752 23.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.030 18.424 24.736 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.533 20.868 24.838 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.991 21.212 23.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.342 21.493 26.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.299 20.218 25.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.887 19.884 26.581 1.00 0.00 H new ATOM 483 N GLY A 32 -3.788 15.743 19.409 1.00 0.00 N ATOM 484 CA GLY A 32 -3.648 14.456 18.696 1.00 0.00 C ATOM 485 C GLY A 32 -2.570 14.491 17.588 1.00 0.00 C ATOM 486 O GLY A 32 -1.771 13.555 17.497 1.00 0.00 O ATOM 0 H GLY A 32 -3.106 16.444 19.121 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.397 13.675 19.414 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.607 14.186 18.253 1.00 0.00 H new ATOM 490 N LYS A 33 -2.568 15.543 16.737 1.00 0.00 N ATOM 491 CA LYS A 33 -1.603 15.705 15.614 1.00 0.00 C ATOM 492 C LYS A 33 -0.098 15.779 16.019 1.00 0.00 C ATOM 493 O LYS A 33 0.710 15.053 15.434 1.00 0.00 O ATOM 494 CB LYS A 33 -2.052 16.831 14.641 1.00 0.00 C ATOM 495 CG LYS A 33 -2.048 18.284 15.171 1.00 0.00 C ATOM 496 CD LYS A 33 -2.454 19.308 14.096 1.00 0.00 C ATOM 497 CE LYS A 33 -2.380 20.759 14.600 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.694 21.715 13.524 1.00 0.00 N ATOM 0 H LYS A 33 -3.237 16.310 16.807 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.642 14.765 15.064 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.407 16.793 13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.063 16.600 14.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.732 18.360 16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.053 18.528 15.543 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.803 19.195 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.470 19.095 13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.078 20.896 15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.382 20.961 14.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.994 22.484 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.667 21.226 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.644 22.111 13.677 1.00 0.00 H new ATOM 512 N ASP A 34 0.263 16.605 17.027 1.00 0.00 N ATOM 513 CA ASP A 34 1.615 16.573 17.660 1.00 0.00 C ATOM 514 C ASP A 34 1.629 15.812 19.033 1.00 0.00 C ATOM 515 O ASP A 34 2.280 16.240 19.992 1.00 0.00 O ATOM 516 CB ASP A 34 2.111 18.044 17.725 1.00 0.00 C ATOM 517 CG ASP A 34 3.624 18.213 17.929 1.00 0.00 C ATOM 518 OD1 ASP A 34 4.381 18.094 16.941 1.00 0.00 O ATOM 519 OD2 ASP A 34 4.058 18.469 19.073 1.00 0.00 O ATOM 0 H ASP A 34 -0.361 17.307 17.426 1.00 0.00 H new ATOM 0 HA ASP A 34 2.314 15.987 17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.826 18.548 16.802 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.592 18.551 18.538 1.00 0.00 H new ATOM 524 N ILE A 35 0.961 14.643 19.092 1.00 0.00 N ATOM 525 CA ILE A 35 1.060 13.675 20.219 1.00 0.00 C ATOM 526 C ILE A 35 1.445 12.337 19.522 1.00 0.00 C ATOM 527 O ILE A 35 0.647 11.743 18.787 1.00 0.00 O ATOM 528 CB ILE A 35 -0.233 13.568 21.106 1.00 0.00 C ATOM 529 CG1 ILE A 35 -0.714 14.944 21.659 1.00 0.00 C ATOM 530 CG2 ILE A 35 -0.022 12.556 22.261 1.00 0.00 C ATOM 531 CD1 ILE A 35 -2.010 14.934 22.488 1.00 0.00 C ATOM 0 H ILE A 35 0.329 14.334 18.354 1.00 0.00 H new ATOM 0 HA ILE A 35 1.798 13.994 20.955 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.026 13.205 20.453 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.082 15.362 22.275 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.853 15.621 20.816 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.929 12.497 22.863 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.204 11.573 21.847 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.808 12.885 22.886 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.240 15.948 22.816 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.830 14.555 21.877 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.880 14.292 23.359 1.00 0.00 H new ATOM 543 N LYS A 36 2.686 11.895 19.777 1.00 0.00 N ATOM 544 CA LYS A 36 3.296 10.721 19.107 1.00 0.00 C ATOM 545 C LYS A 36 3.823 9.761 20.207 1.00 0.00 C ATOM 546 O LYS A 36 4.899 9.975 20.775 1.00 0.00 O ATOM 547 CB LYS A 36 4.380 11.116 18.059 1.00 0.00 C ATOM 548 CG LYS A 36 5.382 12.262 18.356 1.00 0.00 C ATOM 549 CD LYS A 36 4.889 13.659 17.906 1.00 0.00 C ATOM 550 CE LYS A 36 5.851 14.821 18.212 1.00 0.00 C ATOM 551 NZ LYS A 36 5.884 15.183 19.643 1.00 0.00 N ATOM 0 H LYS A 36 3.303 12.340 20.456 1.00 0.00 H new ATOM 0 HA LYS A 36 2.540 10.204 18.516 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.967 10.221 17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.858 11.376 17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.584 12.286 19.427 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.327 12.043 17.858 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.705 13.634 16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.933 13.863 18.389 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.856 14.548 17.889 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.555 15.693 17.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.548 15.970 19.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.933 15.472 19.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.194 14.362 20.202 1.00 0.00 H new ATOM 565 N GLY A 37 3.035 8.708 20.492 1.00 0.00 N ATOM 566 CA GLY A 37 3.363 7.711 21.531 1.00 0.00 C ATOM 567 C GLY A 37 3.705 6.313 20.978 1.00 0.00 C ATOM 568 O GLY A 37 3.999 6.125 19.792 1.00 0.00 O ATOM 0 H GLY A 37 2.155 8.523 20.011 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.208 8.075 22.115 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.518 7.623 22.214 1.00 0.00 H new ATOM 572 N VAL A 38 3.711 5.336 21.899 1.00 0.00 N ATOM 573 CA VAL A 38 4.329 4.003 21.659 1.00 0.00 C ATOM 574 C VAL A 38 3.211 3.000 21.250 1.00 0.00 C ATOM 575 O VAL A 38 2.360 2.633 22.067 1.00 0.00 O ATOM 576 CB VAL A 38 5.169 3.533 22.899 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.854 2.163 22.674 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.277 4.532 23.319 1.00 0.00 C ATOM 0 H VAL A 38 3.295 5.436 22.825 1.00 0.00 H new ATOM 0 HA VAL A 38 5.043 4.061 20.837 1.00 0.00 H new ATOM 0 HB VAL A 38 4.425 3.462 23.693 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.421 1.889 23.564 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.096 1.405 22.479 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.529 2.229 21.821 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.814 4.138 24.182 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.973 4.673 22.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.825 5.489 23.579 1.00 0.00 H new ATOM 588 N SER A 39 3.290 2.517 19.997 1.00 0.00 N ATOM 589 CA SER A 39 2.522 1.336 19.524 1.00 0.00 C ATOM 590 C SER A 39 3.343 0.056 19.844 1.00 0.00 C ATOM 591 O SER A 39 4.312 -0.267 19.149 1.00 0.00 O ATOM 592 CB SER A 39 2.237 1.460 18.010 1.00 0.00 C ATOM 593 OG SER A 39 1.424 2.592 17.718 1.00 0.00 O ATOM 0 H SER A 39 3.886 2.929 19.279 1.00 0.00 H new ATOM 0 HA SER A 39 1.560 1.279 20.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.179 1.539 17.468 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.741 0.555 17.658 1.00 0.00 H new ATOM 0 HG SER A 39 1.265 2.640 16.752 1.00 0.00 H new ATOM 599 N GLU A 40 2.958 -0.641 20.930 1.00 0.00 N ATOM 600 CA GLU A 40 3.701 -1.823 21.440 1.00 0.00 C ATOM 601 C GLU A 40 2.953 -3.107 20.998 1.00 0.00 C ATOM 602 O GLU A 40 1.943 -3.488 21.600 1.00 0.00 O ATOM 603 CB GLU A 40 3.844 -1.718 22.983 1.00 0.00 C ATOM 604 CG GLU A 40 4.745 -2.808 23.609 1.00 0.00 C ATOM 605 CD GLU A 40 4.728 -2.785 25.137 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.437 -1.951 25.741 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.002 -3.604 25.744 1.00 0.00 O ATOM 0 H GLU A 40 2.131 -0.408 21.479 1.00 0.00 H new ATOM 0 HA GLU A 40 4.709 -1.862 21.027 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.250 -0.738 23.234 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.853 -1.777 23.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.417 -3.788 23.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.768 -2.672 23.260 1.00 0.00 H new ATOM 614 N ILE A 41 3.494 -3.786 19.971 1.00 0.00 N ATOM 615 CA ILE A 41 2.963 -5.094 19.495 1.00 0.00 C ATOM 616 C ILE A 41 3.630 -6.202 20.368 1.00 0.00 C ATOM 617 O ILE A 41 4.857 -6.251 20.492 1.00 0.00 O ATOM 618 CB ILE A 41 3.180 -5.334 17.959 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.719 -4.158 17.049 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.471 -6.639 17.511 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.222 -4.232 15.601 1.00 0.00 C ATOM 0 H ILE A 41 4.304 -3.455 19.446 1.00 0.00 H new ATOM 0 HA ILE A 41 1.879 -5.112 19.612 1.00 0.00 H new ATOM 0 HB ILE A 41 4.259 -5.415 17.832 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.629 -4.129 17.040 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.059 -3.221 17.490 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.631 -6.792 16.444 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.881 -7.484 18.064 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.402 -6.559 17.710 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.851 -3.372 15.043 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.312 -4.227 15.594 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.860 -5.149 15.137 1.00 0.00 H new ATOM 633 N VAL A 42 2.799 -7.078 20.952 1.00 0.00 N ATOM 634 CA VAL A 42 3.265 -8.185 21.838 1.00 0.00 C ATOM 635 C VAL A 42 2.925 -9.505 21.081 1.00 0.00 C ATOM 636 O VAL A 42 1.816 -10.035 21.198 1.00 0.00 O ATOM 637 CB VAL A 42 2.638 -8.061 23.272 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.063 -9.214 24.212 1.00 0.00 C ATOM 639 CG2 VAL A 42 2.978 -6.725 23.981 1.00 0.00 C ATOM 0 H VAL A 42 1.786 -7.050 20.832 1.00 0.00 H new ATOM 0 HA VAL A 42 4.338 -8.155 22.029 1.00 0.00 H new ATOM 0 HB VAL A 42 1.564 -8.106 23.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.600 -9.076 25.189 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.742 -10.166 23.789 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.148 -9.213 24.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.513 -6.707 24.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.059 -6.635 24.088 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.602 -5.892 23.387 1.00 0.00 H new ATOM 649 N GLN A 43 3.899 -10.012 20.300 1.00 0.00 N ATOM 650 CA GLN A 43 3.713 -11.193 19.416 1.00 0.00 C ATOM 651 C GLN A 43 4.263 -12.461 20.126 1.00 0.00 C ATOM 652 O GLN A 43 5.459 -12.556 20.422 1.00 0.00 O ATOM 653 CB GLN A 43 4.397 -10.876 18.057 1.00 0.00 C ATOM 654 CG GLN A 43 4.256 -11.924 16.925 1.00 0.00 C ATOM 655 CD GLN A 43 5.355 -12.997 16.877 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.220 -14.079 17.443 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.459 -12.734 16.196 1.00 0.00 N ATOM 0 H GLN A 43 4.839 -9.618 20.260 1.00 0.00 H new ATOM 0 HA GLN A 43 2.662 -11.401 19.214 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.997 -9.930 17.692 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.460 -10.722 18.243 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.292 -12.421 17.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.241 -11.401 15.969 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.567 -11.834 15.727 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.202 -13.431 16.140 1.00 0.00 H new ATOM 666 N ASN A 44 3.364 -13.431 20.373 1.00 0.00 N ATOM 667 CA ASN A 44 3.716 -14.758 20.943 1.00 0.00 C ATOM 668 C ASN A 44 3.045 -15.833 20.045 1.00 0.00 C ATOM 669 O ASN A 44 1.908 -16.255 20.289 1.00 0.00 O ATOM 670 CB ASN A 44 3.284 -14.871 22.434 1.00 0.00 C ATOM 671 CG ASN A 44 4.062 -13.978 23.423 1.00 0.00 C ATOM 672 OD1 ASN A 44 5.289 -14.029 23.508 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.371 -13.150 24.192 1.00 0.00 N ATOM 0 H ASN A 44 2.367 -13.323 20.184 1.00 0.00 H new ATOM 0 HA ASN A 44 4.796 -14.904 20.947 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.225 -14.625 22.506 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.392 -15.909 22.747 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.855 -12.550 24.859 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.354 -13.113 24.117 1.00 0.00 H new ATOM 680 N GLY A 45 3.752 -16.237 18.969 1.00 0.00 N ATOM 681 CA GLY A 45 3.198 -17.120 17.916 1.00 0.00 C ATOM 682 C GLY A 45 2.099 -16.444 17.063 1.00 0.00 C ATOM 683 O GLY A 45 2.318 -15.383 16.469 1.00 0.00 O ATOM 0 H GLY A 45 4.720 -15.962 18.804 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.007 -17.445 17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.786 -18.015 18.382 1.00 0.00 H new ATOM 687 N LYS A 46 0.910 -17.066 17.060 1.00 0.00 N ATOM 688 CA LYS A 46 -0.332 -16.452 16.505 1.00 0.00 C ATOM 689 C LYS A 46 -1.069 -15.398 17.401 1.00 0.00 C ATOM 690 O LYS A 46 -1.963 -14.722 16.888 1.00 0.00 O ATOM 691 CB LYS A 46 -1.297 -17.577 16.030 1.00 0.00 C ATOM 692 CG LYS A 46 -1.921 -18.493 17.111 1.00 0.00 C ATOM 693 CD LYS A 46 -2.806 -19.603 16.503 1.00 0.00 C ATOM 694 CE LYS A 46 -3.489 -20.525 17.533 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.621 -19.879 18.224 1.00 0.00 N ATOM 0 H LYS A 46 0.770 -18.003 17.437 1.00 0.00 H new ATOM 0 HA LYS A 46 0.007 -15.845 15.666 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.111 -17.109 15.476 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.755 -18.209 15.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.125 -18.949 17.701 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.518 -17.889 17.794 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.575 -19.138 15.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.193 -20.214 15.840 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.844 -21.424 17.029 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.753 -20.843 18.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.040 -20.546 18.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.283 -19.036 18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.339 -19.599 17.526 1.00 0.00 H new ATOM 709 N HIS A 47 -0.739 -15.261 18.703 1.00 0.00 N ATOM 710 CA HIS A 47 -1.485 -14.402 19.661 1.00 0.00 C ATOM 711 C HIS A 47 -0.825 -12.999 19.747 1.00 0.00 C ATOM 712 O HIS A 47 0.378 -12.869 19.992 1.00 0.00 O ATOM 713 CB HIS A 47 -1.525 -15.074 21.062 1.00 0.00 C ATOM 714 CG HIS A 47 -2.345 -16.368 21.135 1.00 0.00 C ATOM 715 ND1 HIS A 47 -1.815 -17.639 21.007 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.742 -16.445 21.280 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.962 -18.380 21.081 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.178 -17.762 21.247 1.00 0.00 N ATOM 0 H HIS A 47 0.055 -15.743 19.125 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.508 -14.281 19.306 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.503 -15.291 21.374 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.933 -14.362 21.779 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.391 -15.590 21.401 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.912 -19.456 21.009 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.117 -18.153 21.323 1.00 0.00 H new ATOM 726 N PHE A 48 -1.648 -11.962 19.537 1.00 0.00 N ATOM 727 CA PHE A 48 -1.185 -10.551 19.416 1.00 0.00 C ATOM 728 C PHE A 48 -1.943 -9.613 20.400 1.00 0.00 C ATOM 729 O PHE A 48 -3.140 -9.783 20.657 1.00 0.00 O ATOM 730 CB PHE A 48 -1.400 -10.059 17.957 1.00 0.00 C ATOM 731 CG PHE A 48 -0.379 -10.550 16.914 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.582 -11.745 16.217 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.711 -9.743 16.581 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.301 -12.131 15.210 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.576 -10.114 15.557 1.00 0.00 C ATOM 736 CZ PHE A 48 1.372 -11.310 14.872 1.00 0.00 C ATOM 0 H PHE A 48 -2.658 -12.067 19.444 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.126 -10.519 19.671 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.394 -10.368 17.635 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.390 -8.969 17.959 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.427 -12.372 16.460 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.883 -8.825 17.122 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.154 -13.067 14.692 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.406 -9.475 15.293 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.045 -11.600 14.079 1.00 0.00 H new ATOM 746 N LYS A 49 -1.238 -8.568 20.879 1.00 0.00 N ATOM 747 CA LYS A 49 -1.878 -7.385 21.514 1.00 0.00 C ATOM 748 C LYS A 49 -1.076 -6.119 21.112 1.00 0.00 C ATOM 749 O LYS A 49 0.099 -5.982 21.459 1.00 0.00 O ATOM 750 CB LYS A 49 -2.026 -7.537 23.052 1.00 0.00 C ATOM 751 CG LYS A 49 -2.773 -6.353 23.718 1.00 0.00 C ATOM 752 CD LYS A 49 -3.245 -6.605 25.157 1.00 0.00 C ATOM 753 CE LYS A 49 -2.118 -6.593 26.207 1.00 0.00 C ATOM 754 NZ LYS A 49 -2.644 -6.850 27.559 1.00 0.00 N ATOM 0 H LYS A 49 -0.220 -8.514 20.840 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.901 -7.292 21.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.560 -8.462 23.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.036 -7.629 23.498 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.117 -5.482 23.715 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.640 -6.101 23.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.981 -5.847 25.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.752 -7.569 25.197 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.374 -7.349 25.954 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.611 -5.628 26.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.862 -6.836 28.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.336 -6.115 27.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.106 -7.781 27.580 1.00 0.00 H new ATOM 768 N PHE A 50 -1.758 -5.187 20.425 1.00 0.00 N ATOM 769 CA PHE A 50 -1.161 -3.900 19.973 1.00 0.00 C ATOM 770 C PHE A 50 -1.788 -2.730 20.783 1.00 0.00 C ATOM 771 O PHE A 50 -2.979 -2.430 20.646 1.00 0.00 O ATOM 772 CB PHE A 50 -1.198 -3.739 18.424 1.00 0.00 C ATOM 773 CG PHE A 50 -2.521 -3.442 17.679 1.00 0.00 C ATOM 774 CD1 PHE A 50 -3.578 -4.359 17.678 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.635 -2.276 16.912 1.00 0.00 C ATOM 776 CE1 PHE A 50 -4.720 -4.121 16.916 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.785 -2.031 16.164 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.826 -2.954 16.166 1.00 0.00 C ATOM 0 H PHE A 50 -2.738 -5.296 20.163 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.093 -3.889 20.192 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.504 -2.938 18.171 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.793 -4.657 17.999 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.508 -5.258 18.272 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.826 -1.561 16.900 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.523 -4.843 16.908 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.868 -1.125 15.583 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.717 -2.765 15.585 1.00 0.00 H new ATOM 788 N THR A 51 -0.969 -2.109 21.653 1.00 0.00 N ATOM 789 CA THR A 51 -1.432 -1.106 22.649 1.00 0.00 C ATOM 790 C THR A 51 -0.814 0.264 22.243 1.00 0.00 C ATOM 791 O THR A 51 0.390 0.475 22.421 1.00 0.00 O ATOM 792 CB THR A 51 -1.015 -1.556 24.085 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.485 -2.875 24.354 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.556 -0.646 25.204 1.00 0.00 C ATOM 0 H THR A 51 0.035 -2.284 21.690 1.00 0.00 H new ATOM 0 HA THR A 51 -2.518 -1.014 22.661 1.00 0.00 H new ATOM 0 HB THR A 51 0.074 -1.503 24.090 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.213 -3.141 25.257 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.224 -1.023 26.172 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.181 0.368 25.062 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.645 -0.638 25.172 1.00 0.00 H new ATOM 802 N ILE A 52 -1.643 1.189 21.715 1.00 0.00 N ATOM 803 CA ILE A 52 -1.176 2.534 21.267 1.00 0.00 C ATOM 804 C ILE A 52 -1.456 3.527 22.435 1.00 0.00 C ATOM 805 O ILE A 52 -2.563 4.059 22.553 1.00 0.00 O ATOM 806 CB ILE A 52 -1.798 3.005 19.898 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.736 1.974 18.727 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.137 4.328 19.428 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.940 1.021 18.641 1.00 0.00 C ATOM 0 H ILE A 52 -2.643 1.036 21.585 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.109 2.492 21.050 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.856 3.136 20.124 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.654 2.519 17.786 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.828 1.381 18.832 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.578 4.639 18.481 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.301 5.103 20.177 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.066 4.173 19.296 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.808 0.343 17.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.014 0.444 19.563 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.853 1.600 18.501 1.00 0.00 H new ATOM 821 N THR A 53 -0.432 3.786 23.268 1.00 0.00 N ATOM 822 CA THR A 53 -0.527 4.734 24.411 1.00 0.00 C ATOM 823 C THR A 53 0.060 6.094 23.937 1.00 0.00 C ATOM 824 O THR A 53 1.281 6.281 23.934 1.00 0.00 O ATOM 825 CB THR A 53 0.201 4.123 25.649 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.392 2.875 25.999 1.00 0.00 O ATOM 827 CG2 THR A 53 0.164 5.008 26.908 1.00 0.00 C ATOM 0 H THR A 53 0.485 3.349 23.175 1.00 0.00 H new ATOM 0 HA THR A 53 -1.555 4.909 24.728 1.00 0.00 H new ATOM 0 HB THR A 53 1.241 4.019 25.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.072 2.499 26.776 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.693 4.508 27.720 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.645 5.963 26.696 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.872 5.180 27.201 1.00 0.00 H new ATOM 835 N ALA A 54 -0.830 7.020 23.533 1.00 0.00 N ATOM 836 CA ALA A 54 -0.440 8.349 23.001 1.00 0.00 C ATOM 837 C ALA A 54 -1.331 9.443 23.644 1.00 0.00 C ATOM 838 O ALA A 54 -2.381 9.812 23.102 1.00 0.00 O ATOM 839 CB ALA A 54 -0.529 8.321 21.460 1.00 0.00 C ATOM 0 H ALA A 54 -1.839 6.873 23.564 1.00 0.00 H new ATOM 0 HA ALA A 54 0.591 8.589 23.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.244 9.295 21.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.145 7.558 21.070 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.551 8.091 21.159 1.00 0.00 H new ATOM 845 N GLY A 55 -0.891 9.960 24.809 1.00 0.00 N ATOM 846 CA GLY A 55 -1.556 11.090 25.502 1.00 0.00 C ATOM 847 C GLY A 55 -2.912 10.732 26.140 1.00 0.00 C ATOM 848 O GLY A 55 -2.978 9.945 27.090 1.00 0.00 O ATOM 0 H GLY A 55 -0.067 9.609 25.298 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.890 11.467 26.279 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.706 11.901 24.789 1.00 0.00 H new ATOM 852 N SER A 56 -3.984 11.302 25.566 1.00 0.00 N ATOM 853 CA SER A 56 -5.385 10.930 25.903 1.00 0.00 C ATOM 854 C SER A 56 -5.844 9.540 25.351 1.00 0.00 C ATOM 855 O SER A 56 -6.540 8.818 26.070 1.00 0.00 O ATOM 856 CB SER A 56 -6.316 12.070 25.429 1.00 0.00 C ATOM 857 OG SER A 56 -7.649 11.868 25.887 1.00 0.00 O ATOM 0 H SER A 56 -3.914 12.032 24.857 1.00 0.00 H new ATOM 0 HA SER A 56 -5.441 10.809 26.985 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.943 13.025 25.797 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.306 12.122 24.340 1.00 0.00 H new ATOM 0 HG SER A 56 -8.217 12.603 25.575 1.00 0.00 H new ATOM 863 N LYS A 57 -5.478 9.180 24.101 1.00 0.00 N ATOM 864 CA LYS A 57 -5.929 7.929 23.443 1.00 0.00 C ATOM 865 C LYS A 57 -5.035 6.731 23.865 1.00 0.00 C ATOM 866 O LYS A 57 -3.910 6.578 23.378 1.00 0.00 O ATOM 867 CB LYS A 57 -5.925 8.116 21.900 1.00 0.00 C ATOM 868 CG LYS A 57 -6.981 9.066 21.292 1.00 0.00 C ATOM 869 CD LYS A 57 -8.432 8.553 21.409 1.00 0.00 C ATOM 870 CE LYS A 57 -9.438 9.462 20.687 1.00 0.00 C ATOM 871 NZ LYS A 57 -10.819 8.996 20.902 1.00 0.00 N ATOM 0 H LYS A 57 -4.862 9.747 23.518 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.947 7.707 23.763 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.939 8.478 21.608 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.052 7.135 21.442 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.909 10.035 21.785 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.747 9.226 20.239 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.493 7.547 20.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.704 8.480 22.462 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.335 10.485 21.050 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.218 9.478 19.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.485 9.741 20.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.989 8.141 20.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.959 8.777 21.909 1.00 0.00 H new ATOM 885 N VAL A 58 -5.575 5.876 24.754 1.00 0.00 N ATOM 886 CA VAL A 58 -4.943 4.583 25.139 1.00 0.00 C ATOM 887 C VAL A 58 -5.805 3.493 24.433 1.00 0.00 C ATOM 888 O VAL A 58 -6.869 3.104 24.927 1.00 0.00 O ATOM 889 CB VAL A 58 -4.821 4.415 26.693 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.117 3.091 27.080 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.065 5.578 27.383 1.00 0.00 C ATOM 0 H VAL A 58 -6.460 6.054 25.229 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.904 4.512 24.816 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.852 4.412 27.046 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.054 3.016 28.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.688 2.248 26.691 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.113 3.076 26.656 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.018 5.395 28.457 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.054 5.643 26.982 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.590 6.515 27.197 1.00 0.00 H new ATOM 901 N ILE A 59 -5.340 3.045 23.251 1.00 0.00 N ATOM 902 CA ILE A 59 -6.145 2.211 22.315 1.00 0.00 C ATOM 903 C ILE A 59 -5.602 0.761 22.467 1.00 0.00 C ATOM 904 O ILE A 59 -4.634 0.384 21.798 1.00 0.00 O ATOM 905 CB ILE A 59 -6.049 2.762 20.843 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.429 4.264 20.661 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.891 1.910 19.861 1.00 0.00 C ATOM 908 CD1 ILE A 59 -5.765 4.929 19.444 1.00 0.00 C ATOM 0 H ILE A 59 -4.399 3.246 22.912 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.209 2.236 22.549 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.987 2.683 20.612 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.511 4.346 20.562 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.148 4.812 21.561 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.801 2.319 18.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.529 0.882 19.868 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.937 1.928 20.168 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.077 5.972 19.384 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.681 4.880 19.549 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.065 4.407 18.535 1.00 0.00 H new ATOM 920 N GLN A 60 -6.231 -0.041 23.350 1.00 0.00 N ATOM 921 CA GLN A 60 -5.772 -1.424 23.636 1.00 0.00 C ATOM 922 C GLN A 60 -6.670 -2.424 22.861 1.00 0.00 C ATOM 923 O GLN A 60 -7.862 -2.574 23.151 1.00 0.00 O ATOM 924 CB GLN A 60 -5.740 -1.686 25.165 1.00 0.00 C ATOM 925 CG GLN A 60 -4.884 -2.918 25.539 1.00 0.00 C ATOM 926 CD GLN A 60 -4.971 -3.309 27.022 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.915 -3.970 27.451 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.991 -2.926 27.826 1.00 0.00 N ATOM 0 H GLN A 60 -7.057 0.241 23.878 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.748 -1.563 23.290 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.345 -0.806 25.673 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.758 -1.832 25.526 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.200 -3.766 24.931 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.843 -2.715 25.287 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.214 -2.378 27.457 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.013 -3.179 28.814 1.00 0.00 H new ATOM 937 N ASN A 61 -6.060 -3.075 21.860 1.00 0.00 N ATOM 938 CA ASN A 61 -6.762 -3.975 20.907 1.00 0.00 C ATOM 939 C ASN A 61 -5.955 -5.299 20.819 1.00 0.00 C ATOM 940 O ASN A 61 -4.721 -5.285 20.764 1.00 0.00 O ATOM 941 CB ASN A 61 -6.864 -3.292 19.516 1.00 0.00 C ATOM 942 CG ASN A 61 -7.768 -2.049 19.409 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.591 -1.749 20.273 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.617 -1.294 18.336 1.00 0.00 N ATOM 0 H ASN A 61 -5.059 -2.998 21.680 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.776 -4.186 21.248 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.859 -3.007 19.205 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.221 -4.033 18.801 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.185 -0.455 18.219 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.932 -1.550 17.625 1.00 0.00 H new ATOM 951 N GLU A 62 -6.661 -6.443 20.825 1.00 0.00 N ATOM 952 CA GLU A 62 -6.033 -7.783 20.973 1.00 0.00 C ATOM 953 C GLU A 62 -6.693 -8.765 19.978 1.00 0.00 C ATOM 954 O GLU A 62 -7.895 -9.044 20.050 1.00 0.00 O ATOM 955 CB GLU A 62 -6.017 -8.291 22.443 1.00 0.00 C ATOM 956 CG GLU A 62 -7.353 -8.309 23.218 1.00 0.00 C ATOM 957 CD GLU A 62 -7.178 -8.763 24.668 1.00 0.00 C ATOM 958 OE1 GLU A 62 -6.861 -7.916 25.534 1.00 0.00 O ATOM 959 OE2 GLU A 62 -7.351 -9.970 24.949 1.00 0.00 O ATOM 0 H GLU A 62 -7.676 -6.474 20.729 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.976 -7.706 20.718 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.618 -9.305 22.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.315 -7.673 23.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.793 -7.312 23.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.054 -8.974 22.714 1.00 0.00 H new ATOM 966 N PHE A 63 -5.871 -9.260 19.040 1.00 0.00 N ATOM 967 CA PHE A 63 -6.308 -10.161 17.945 1.00 0.00 C ATOM 968 C PHE A 63 -5.525 -11.503 17.975 1.00 0.00 C ATOM 969 O PHE A 63 -4.487 -11.647 18.629 1.00 0.00 O ATOM 970 CB PHE A 63 -6.222 -9.417 16.576 1.00 0.00 C ATOM 971 CG PHE A 63 -4.831 -9.026 16.037 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.269 -7.793 16.386 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.127 -9.882 15.180 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.025 -7.420 15.882 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.887 -9.502 14.679 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.338 -8.274 15.029 1.00 0.00 C ATOM 0 H PHE A 63 -4.874 -9.048 19.014 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.354 -10.431 18.092 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.703 -10.045 15.827 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.815 -8.506 16.656 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.802 -7.128 17.049 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.548 -10.839 14.908 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.595 -6.467 16.154 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.349 -10.163 14.016 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.375 -7.983 14.637 1.00 0.00 H new ATOM 986 N THR A 64 -6.033 -12.482 17.214 1.00 0.00 N ATOM 987 CA THR A 64 -5.311 -13.747 16.926 1.00 0.00 C ATOM 988 C THR A 64 -5.425 -13.964 15.390 1.00 0.00 C ATOM 989 O THR A 64 -6.519 -13.900 14.817 1.00 0.00 O ATOM 990 CB THR A 64 -5.879 -14.923 17.775 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.912 -14.577 19.157 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.039 -16.204 17.669 1.00 0.00 C ATOM 0 H THR A 64 -6.953 -12.428 16.778 1.00 0.00 H new ATOM 0 HA THR A 64 -4.259 -13.699 17.209 1.00 0.00 H new ATOM 0 HB THR A 64 -6.876 -15.107 17.376 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.273 -15.328 19.674 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.487 -16.985 18.283 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.007 -16.533 16.630 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.026 -16.005 18.018 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.282 -14.226 14.723 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.223 -14.372 13.237 1.00 0.00 C ATOM 1002 C VAL A 65 -4.900 -15.694 12.758 1.00 0.00 C ATOM 1003 O VAL A 65 -4.658 -16.775 13.308 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.784 -14.184 12.647 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.327 -12.715 12.725 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.693 -15.106 13.229 1.00 0.00 C ATOM 0 H VAL A 65 -3.380 -14.343 15.184 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.807 -13.547 12.829 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.894 -14.489 11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.325 -12.623 12.307 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.016 -12.089 12.158 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.317 -12.392 13.766 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.739 -14.889 12.749 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.606 -14.935 14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.962 -16.147 13.048 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.794 -15.559 11.764 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.776 -16.616 11.419 1.00 0.00 C ATOM 1018 C GLY A 66 -8.071 -16.729 12.274 1.00 0.00 C ATOM 1019 O GLY A 66 -8.738 -17.764 12.194 1.00 0.00 O ATOM 0 H GLY A 66 -5.861 -14.726 11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.075 -16.466 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.262 -17.576 11.467 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.434 -15.693 13.055 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.652 -15.667 13.910 1.00 0.00 C ATOM 1025 C GLU A 67 -10.298 -14.260 13.779 1.00 0.00 C ATOM 1026 O GLU A 67 -9.597 -13.237 13.769 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.310 -15.943 15.406 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.768 -17.345 15.771 1.00 0.00 C ATOM 1029 CD GLU A 67 -9.776 -18.483 15.584 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -10.697 -18.620 16.420 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -9.654 -19.246 14.601 1.00 0.00 O ATOM 0 H GLU A 67 -7.886 -14.835 13.115 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.336 -16.449 13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.573 -15.205 15.724 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.211 -15.768 15.994 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.889 -17.551 15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.439 -17.335 16.810 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.648 -14.202 13.739 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.393 -12.910 13.705 1.00 0.00 C ATOM 1040 C GLU A 68 -12.337 -12.207 15.091 1.00 0.00 C ATOM 1041 O GLU A 68 -12.700 -12.793 16.116 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.827 -13.062 13.122 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.890 -13.867 13.909 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.688 -13.058 14.940 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.451 -12.150 14.541 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.564 -13.332 16.155 1.00 0.00 O ATOM 0 H GLU A 68 -12.247 -15.027 13.729 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.890 -12.244 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.225 -12.059 12.969 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.732 -13.521 12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.588 -14.309 13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.393 -14.690 14.422 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.812 -10.973 15.097 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.491 -10.233 16.341 1.00 0.00 C ATOM 1055 C CYS A 69 -12.132 -8.830 16.269 1.00 0.00 C ATOM 1056 O CYS A 69 -11.888 -8.072 15.323 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.959 -10.150 16.504 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.243 -11.824 16.632 1.00 0.00 S ATOM 0 H CYS A 69 -11.596 -10.455 14.245 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.894 -10.750 17.212 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.524 -9.625 15.653 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.712 -9.573 17.395 1.00 0.00 H new ATOM 0 HG CYS A 69 -9.366 -12.437 15.492 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.946 -8.494 17.289 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.634 -7.178 17.379 1.00 0.00 C ATOM 1066 C GLU A 70 -12.708 -6.137 18.072 1.00 0.00 C ATOM 1067 O GLU A 70 -12.396 -6.256 19.262 1.00 0.00 O ATOM 1068 CB GLU A 70 -15.059 -7.326 17.972 1.00 0.00 C ATOM 1069 CG GLU A 70 -15.197 -7.791 19.441 1.00 0.00 C ATOM 1070 CD GLU A 70 -16.658 -7.964 19.862 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -17.269 -6.988 20.349 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -17.204 -9.079 19.705 1.00 0.00 O ATOM 0 H GLU A 70 -13.148 -9.117 18.071 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.814 -6.774 16.383 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.559 -6.362 17.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.608 -8.031 17.347 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.670 -8.736 19.571 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.716 -7.065 20.096 1.00 0.00 H new ATOM 1079 N LEU A 71 -12.215 -5.164 17.281 1.00 0.00 N ATOM 1080 CA LEU A 71 -11.038 -4.331 17.655 1.00 0.00 C ATOM 1081 C LEU A 71 -11.491 -2.852 17.674 1.00 0.00 C ATOM 1082 O LEU A 71 -11.851 -2.298 16.630 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.870 -4.553 16.644 1.00 0.00 C ATOM 1084 CG LEU A 71 -9.311 -6.001 16.526 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.423 -6.172 15.279 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -8.579 -6.485 17.791 1.00 0.00 C ATOM 0 H LEU A 71 -12.612 -4.929 16.371 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.666 -4.614 18.640 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.210 -4.238 15.657 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.049 -3.893 16.923 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.187 -6.640 16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.053 -7.196 15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.007 -5.957 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.580 -5.484 15.336 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.217 -7.501 17.636 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.735 -5.827 17.997 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.266 -6.470 18.637 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.482 -2.219 18.864 1.00 0.00 N ATOM 1099 CA GLU A 72 -12.016 -0.842 19.041 1.00 0.00 C ATOM 1100 C GLU A 72 -10.951 0.210 18.639 1.00 0.00 C ATOM 1101 O GLU A 72 -10.061 0.552 19.421 1.00 0.00 O ATOM 1102 CB GLU A 72 -12.556 -0.676 20.486 1.00 0.00 C ATOM 1103 CG GLU A 72 -13.354 0.628 20.712 1.00 0.00 C ATOM 1104 CD GLU A 72 -13.967 0.717 22.110 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -13.228 0.992 23.081 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -15.195 0.516 22.244 1.00 0.00 O ATOM 0 H GLU A 72 -11.113 -2.634 19.719 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.860 -0.673 18.372 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.194 -1.527 20.724 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.717 -0.702 21.182 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.696 1.482 20.555 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.148 0.696 19.968 1.00 0.00 H new ATOM 1113 N THR A 73 -11.087 0.724 17.405 1.00 0.00 N ATOM 1114 CA THR A 73 -10.134 1.709 16.815 1.00 0.00 C ATOM 1115 C THR A 73 -10.244 3.125 17.485 1.00 0.00 C ATOM 1116 O THR A 73 -11.047 3.348 18.401 1.00 0.00 O ATOM 1117 CB THR A 73 -10.296 1.722 15.257 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.607 2.142 14.882 1.00 0.00 O ATOM 1119 CG2 THR A 73 -9.976 0.393 14.543 1.00 0.00 C ATOM 0 H THR A 73 -11.855 0.476 16.781 1.00 0.00 H new ATOM 0 HA THR A 73 -9.113 1.395 17.032 1.00 0.00 H new ATOM 0 HB THR A 73 -9.542 2.436 14.924 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.030 2.606 15.635 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.120 0.513 13.469 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.941 0.114 14.741 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.640 -0.388 14.913 1.00 0.00 H new ATOM 1127 N MET A 74 -9.409 4.081 17.035 1.00 0.00 N ATOM 1128 CA MET A 74 -9.386 5.483 17.557 1.00 0.00 C ATOM 1129 C MET A 74 -10.738 6.268 17.559 1.00 0.00 C ATOM 1130 O MET A 74 -11.060 6.880 18.582 1.00 0.00 O ATOM 1131 CB MET A 74 -8.203 6.267 16.938 1.00 0.00 C ATOM 1132 CG MET A 74 -8.207 6.496 15.417 1.00 0.00 C ATOM 1133 SD MET A 74 -6.537 6.940 14.895 1.00 0.00 S ATOM 1134 CE MET A 74 -5.817 5.324 14.533 1.00 0.00 C ATOM 0 H MET A 74 -8.725 3.914 16.297 1.00 0.00 H new ATOM 0 HA MET A 74 -9.219 5.381 18.629 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.158 7.242 17.423 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.283 5.741 17.194 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.538 5.595 14.900 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.908 7.289 15.156 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.787 5.451 14.200 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.834 4.708 15.432 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.395 4.836 13.748 1.00 0.00 H new ATOM 1144 N THR A 75 -11.562 6.177 16.492 1.00 0.00 N ATOM 1145 CA THR A 75 -13.033 6.395 16.605 1.00 0.00 C ATOM 1146 C THR A 75 -13.702 5.109 17.187 1.00 0.00 C ATOM 1147 O THR A 75 -13.457 3.997 16.705 1.00 0.00 O ATOM 1148 CB THR A 75 -13.660 6.870 15.260 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.011 7.259 15.481 1.00 0.00 O ATOM 1150 CG2 THR A 75 -13.644 5.883 14.082 1.00 0.00 C ATOM 0 H THR A 75 -11.244 5.957 15.548 1.00 0.00 H new ATOM 0 HA THR A 75 -13.224 7.212 17.301 1.00 0.00 H new ATOM 0 HB THR A 75 -13.008 7.688 14.954 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.090 8.232 15.395 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.112 6.346 13.213 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.614 5.619 13.842 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.195 4.983 14.354 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.532 5.282 18.231 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.131 4.152 18.979 1.00 0.00 C ATOM 1160 C GLY A 76 -16.213 3.380 18.195 1.00 0.00 C ATOM 1161 O GLY A 76 -17.313 3.894 17.976 1.00 0.00 O ATOM 0 H GLY A 76 -14.807 6.200 18.581 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.340 3.459 19.264 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.568 4.533 19.902 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.858 2.157 17.769 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.720 1.298 16.904 1.00 0.00 C ATOM 1167 C GLU A 77 -16.749 -0.193 17.357 1.00 0.00 C ATOM 1168 O GLU A 77 -17.834 -0.767 17.486 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.453 1.520 15.388 1.00 0.00 C ATOM 1170 CG GLU A 77 -15.045 1.156 14.889 1.00 0.00 C ATOM 1171 CD GLU A 77 -14.811 1.449 13.404 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -15.221 0.630 12.551 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -14.207 2.497 13.083 1.00 0.00 O ATOM 0 H GLU A 77 -14.966 1.725 18.009 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.747 1.633 17.051 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.179 0.936 14.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.638 2.569 15.157 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.310 1.706 15.477 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.870 0.096 15.071 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.572 -0.818 17.574 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.415 -2.254 17.940 1.00 0.00 C ATOM 1182 C LYS A 78 -15.833 -3.199 16.771 1.00 0.00 C ATOM 1183 O LYS A 78 -16.970 -3.672 16.696 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.965 -2.592 19.354 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.309 -3.842 19.982 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.719 -4.152 21.435 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.117 -3.196 22.483 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.486 -3.586 23.855 1.00 0.00 N ATOM 0 H LYS A 78 -14.679 -0.331 17.499 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.352 -2.459 18.065 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.806 -1.738 20.012 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.042 -2.749 19.290 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.551 -4.706 19.363 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.227 -3.718 19.948 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.806 -4.115 21.509 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.418 -5.172 21.675 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.031 -3.188 22.387 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.461 -2.180 22.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.062 -2.919 24.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.521 -3.569 23.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.135 -4.546 24.049 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.883 -3.389 15.842 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.150 -3.847 14.455 1.00 0.00 C ATOM 1204 C VAL A 79 -14.514 -5.249 14.224 1.00 0.00 C ATOM 1205 O VAL A 79 -13.292 -5.416 14.301 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.680 -2.730 13.457 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.260 -2.144 13.653 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.848 -3.143 11.982 1.00 0.00 C ATOM 0 H VAL A 79 -13.893 -3.229 16.028 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.215 -3.990 14.275 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.363 -1.922 13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.072 -1.385 12.894 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.186 -1.694 14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.522 -2.940 13.560 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.508 -2.333 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.257 -4.037 11.785 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.899 -3.351 11.780 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.372 -6.234 13.895 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.962 -7.637 13.634 1.00 0.00 C ATOM 1220 C LYS A 80 -14.267 -7.797 12.252 1.00 0.00 C ATOM 1221 O LYS A 80 -14.848 -7.504 11.203 1.00 0.00 O ATOM 1222 CB LYS A 80 -16.149 -8.618 13.844 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.384 -8.465 12.923 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.520 -9.449 13.262 1.00 0.00 C ATOM 1225 CE LYS A 80 -19.747 -9.263 12.352 1.00 0.00 C ATOM 1226 NZ LYS A 80 -20.827 -10.200 12.708 1.00 0.00 N ATOM 0 H LYS A 80 -16.376 -6.083 13.801 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.205 -7.906 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.769 -9.633 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.486 -8.519 14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.761 -7.445 12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.078 -8.616 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.152 -10.471 13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.818 -9.312 14.302 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.110 -8.239 12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.458 -9.417 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.639 -10.049 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.486 -11.177 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.119 -10.036 13.693 1.00 0.00 H new ATOM 1240 N THR A 81 -13.005 -8.253 12.292 1.00 0.00 N ATOM 1241 CA THR A 81 -12.186 -8.499 11.074 1.00 0.00 C ATOM 1242 C THR A 81 -11.137 -9.616 11.366 1.00 0.00 C ATOM 1243 O THR A 81 -10.429 -9.591 12.379 1.00 0.00 O ATOM 1244 CB THR A 81 -11.573 -7.195 10.465 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.817 -7.526 9.304 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.690 -6.327 11.379 1.00 0.00 C ATOM 0 H THR A 81 -12.516 -8.464 13.162 1.00 0.00 H new ATOM 0 HA THR A 81 -12.844 -8.861 10.285 1.00 0.00 H new ATOM 0 HB THR A 81 -12.448 -6.579 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.939 -6.830 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.335 -5.458 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.272 -5.995 12.239 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.836 -6.912 11.722 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.019 -10.564 10.413 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.976 -11.632 10.426 1.00 0.00 C ATOM 1256 C VAL A 82 -8.632 -10.996 9.950 1.00 0.00 C ATOM 1257 O VAL A 82 -8.571 -10.390 8.872 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.391 -12.852 9.525 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.335 -13.986 9.505 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.742 -13.500 9.907 1.00 0.00 C ATOM 0 H VAL A 82 -11.642 -10.618 9.607 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.860 -12.027 11.435 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.478 -12.394 8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.684 -14.797 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.392 -13.599 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.185 -14.362 10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.949 -14.332 9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.693 -13.866 10.933 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.537 -12.759 9.823 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.566 -11.161 10.756 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.230 -10.577 10.448 1.00 0.00 C ATOM 1272 C VAL A 83 -5.372 -11.708 9.809 1.00 0.00 C ATOM 1273 O VAL A 83 -5.017 -12.683 10.478 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.555 -9.916 11.700 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.240 -9.196 11.316 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.455 -8.912 12.465 1.00 0.00 C ATOM 0 H VAL A 83 -7.596 -11.692 11.626 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.331 -9.751 9.744 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.360 -10.754 12.370 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.797 -8.748 12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.543 -9.916 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.452 -8.416 10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.906 -8.505 13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.744 -8.100 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.349 -9.424 12.822 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.033 -11.555 8.518 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.210 -12.532 7.768 1.00 0.00 C ATOM 1288 C GLN A 84 -2.735 -12.059 7.705 1.00 0.00 C ATOM 1289 O GLN A 84 -2.443 -10.913 7.353 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.799 -12.693 6.345 1.00 0.00 C ATOM 1291 CG GLN A 84 -6.102 -13.520 6.245 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.950 -15.012 6.594 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.400 -15.797 5.822 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.428 -15.433 7.754 1.00 0.00 N ATOM 0 H GLN A 84 -5.320 -10.751 7.960 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.227 -13.496 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.989 -11.700 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.045 -13.160 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.846 -13.080 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.491 -13.437 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.882 -14.775 8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.342 -16.415 8.015 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.820 -12.981 8.039 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.370 -12.683 8.153 1.00 0.00 C ATOM 1305 C LEU A 85 0.409 -13.299 6.962 1.00 0.00 C ATOM 1306 O LEU A 85 0.366 -14.511 6.723 1.00 0.00 O ATOM 1307 CB LEU A 85 0.126 -13.196 9.531 1.00 0.00 C ATOM 1308 CG LEU A 85 1.635 -13.044 9.879 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.190 -11.618 9.697 1.00 0.00 C ATOM 1310 CD2 LEU A 85 1.872 -13.524 11.322 1.00 0.00 C ATOM 0 H LEU A 85 -2.055 -13.953 8.239 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.191 -11.609 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.446 -12.680 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.126 -14.254 9.601 1.00 0.00 H new ATOM 0 HG LEU A 85 2.181 -13.662 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.247 -11.603 9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.071 -11.311 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.644 -10.930 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.928 -13.420 11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.276 -12.922 12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.580 -14.570 11.410 1.00 0.00 H new ATOM 1322 N GLU A 86 1.165 -12.429 6.276 1.00 0.00 N ATOM 1323 CA GLU A 86 2.149 -12.835 5.237 1.00 0.00 C ATOM 1324 C GLU A 86 3.592 -12.703 5.802 1.00 0.00 C ATOM 1325 O GLU A 86 4.033 -11.618 6.197 1.00 0.00 O ATOM 1326 CB GLU A 86 1.984 -11.974 3.960 1.00 0.00 C ATOM 1327 CG GLU A 86 0.766 -12.365 3.099 1.00 0.00 C ATOM 1328 CD GLU A 86 0.639 -11.527 1.823 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.441 -11.728 0.884 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.264 -10.666 1.751 1.00 0.00 O ATOM 0 H GLU A 86 1.118 -11.420 6.419 1.00 0.00 H new ATOM 0 HA GLU A 86 1.967 -13.875 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.892 -10.927 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.887 -12.060 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.842 -13.418 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.142 -12.253 3.692 1.00 0.00 H new ATOM 1337 N GLY A 87 4.314 -13.835 5.798 1.00 0.00 N ATOM 1338 CA GLY A 87 5.767 -13.876 6.118 1.00 0.00 C ATOM 1339 C GLY A 87 6.280 -13.627 7.562 1.00 0.00 C ATOM 1340 O GLY A 87 7.490 -13.437 7.720 1.00 0.00 O ATOM 0 H GLY A 87 3.918 -14.748 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.132 -14.858 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.255 -13.143 5.476 1.00 0.00 H new ATOM 1344 N ASP A 88 5.411 -13.608 8.596 1.00 0.00 N ATOM 1345 CA ASP A 88 5.771 -13.182 9.989 1.00 0.00 C ATOM 1346 C ASP A 88 6.209 -11.682 10.189 1.00 0.00 C ATOM 1347 O ASP A 88 6.730 -11.327 11.251 1.00 0.00 O ATOM 1348 CB ASP A 88 6.678 -14.240 10.693 1.00 0.00 C ATOM 1349 CG ASP A 88 6.663 -14.211 12.232 1.00 0.00 C ATOM 1350 OD1 ASP A 88 5.607 -14.508 12.835 1.00 0.00 O ATOM 1351 OD2 ASP A 88 7.707 -13.889 12.841 1.00 0.00 O ATOM 0 H ASP A 88 4.434 -13.886 8.500 1.00 0.00 H new ATOM 0 HA ASP A 88 4.823 -13.168 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.371 -15.232 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.704 -14.095 10.355 1.00 0.00 H new ATOM 1356 N ASN A 89 5.965 -10.799 9.197 1.00 0.00 N ATOM 1357 CA ASN A 89 6.355 -9.362 9.245 1.00 0.00 C ATOM 1358 C ASN A 89 5.409 -8.363 8.501 1.00 0.00 C ATOM 1359 O ASN A 89 5.621 -7.158 8.657 1.00 0.00 O ATOM 1360 CB ASN A 89 7.850 -9.185 8.855 1.00 0.00 C ATOM 1361 CG ASN A 89 8.225 -9.267 7.360 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.000 -10.275 6.689 1.00 0.00 O ATOM 1363 ND2 ASN A 89 8.812 -8.207 6.826 1.00 0.00 N ATOM 0 H ASN A 89 5.489 -11.059 8.333 1.00 0.00 H new ATOM 0 HA ASN A 89 6.225 -9.071 10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.180 -8.216 9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.425 -9.944 9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.086 -8.217 5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.990 -7.381 7.397 1.00 0.00 H new ATOM 1370 N LYS A 90 4.385 -8.806 7.737 1.00 0.00 N ATOM 1371 CA LYS A 90 3.422 -7.907 7.052 1.00 0.00 C ATOM 1372 C LYS A 90 1.987 -8.426 7.325 1.00 0.00 C ATOM 1373 O LYS A 90 1.527 -9.387 6.700 1.00 0.00 O ATOM 1374 CB LYS A 90 3.802 -7.783 5.548 1.00 0.00 C ATOM 1375 CG LYS A 90 3.111 -6.642 4.761 1.00 0.00 C ATOM 1376 CD LYS A 90 1.742 -6.953 4.118 1.00 0.00 C ATOM 1377 CE LYS A 90 1.751 -7.942 2.932 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.410 -7.413 1.722 1.00 0.00 N ATOM 0 H LYS A 90 4.201 -9.796 7.577 1.00 0.00 H new ATOM 0 HA LYS A 90 3.461 -6.890 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.881 -7.644 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.570 -8.728 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.982 -5.796 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.789 -6.318 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.084 -7.351 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.303 -6.015 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.256 -8.858 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.723 -8.211 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.379 -8.129 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.916 -6.555 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.401 -7.182 1.939 1.00 0.00 H new ATOM 1392 N LEU A 91 1.281 -7.745 8.247 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.154 -8.013 8.553 1.00 0.00 C ATOM 1394 C LEU A 91 -1.082 -7.344 7.498 1.00 0.00 C ATOM 1395 O LEU A 91 -0.713 -6.364 6.842 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.497 -7.504 9.983 1.00 0.00 C ATOM 1397 CG LEU A 91 0.193 -8.253 11.159 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.281 -7.380 12.424 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.478 -9.599 11.479 1.00 0.00 C ATOM 0 H LEU A 91 1.681 -6.991 8.806 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.321 -9.089 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.231 -6.449 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.576 -7.569 10.121 1.00 0.00 H new ATOM 0 HG LEU A 91 1.207 -8.466 10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.769 -7.942 13.220 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.859 -6.482 12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.723 -7.098 12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.044 -10.078 12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.519 -9.430 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.436 -10.244 10.602 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.283 -7.920 7.323 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.239 -7.515 6.256 1.00 0.00 C ATOM 1413 C VAL A 92 -4.648 -7.620 6.913 1.00 0.00 C ATOM 1414 O VAL A 92 -5.124 -8.726 7.192 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.116 -8.413 4.968 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.066 -7.961 3.836 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.692 -8.511 4.371 1.00 0.00 C ATOM 0 H VAL A 92 -2.627 -8.679 7.911 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.035 -6.505 5.900 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.397 -9.399 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.940 -8.614 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.098 -8.014 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.831 -6.935 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.711 -9.150 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.346 -7.516 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.015 -8.936 5.112 1.00 0.00 H new ATOM 1427 N THR A 93 -5.313 -6.471 7.146 1.00 0.00 N ATOM 1428 CA THR A 93 -6.668 -6.439 7.765 1.00 0.00 C ATOM 1429 C THR A 93 -7.438 -5.174 7.311 1.00 0.00 C ATOM 1430 O THR A 93 -7.063 -4.043 7.625 1.00 0.00 O ATOM 1431 CB THR A 93 -6.633 -6.602 9.315 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.958 -6.753 9.804 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.935 -5.504 10.144 1.00 0.00 C ATOM 0 H THR A 93 -4.940 -5.549 6.918 1.00 0.00 H new ATOM 0 HA THR A 93 -7.216 -7.310 7.405 1.00 0.00 H new ATOM 0 HB THR A 93 -6.008 -7.484 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.536 -7.085 9.086 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.992 -5.756 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.890 -5.431 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.430 -4.548 9.972 1.00 0.00 H new ATOM 1441 N THR A 94 -8.564 -5.405 6.622 1.00 0.00 N ATOM 1442 CA THR A 94 -9.554 -4.353 6.287 1.00 0.00 C ATOM 1443 C THR A 94 -10.655 -4.334 7.383 1.00 0.00 C ATOM 1444 O THR A 94 -11.342 -5.336 7.607 1.00 0.00 O ATOM 1445 CB THR A 94 -10.091 -4.541 4.844 1.00 0.00 C ATOM 1446 OG1 THR A 94 -11.026 -3.509 4.538 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.736 -5.906 4.537 1.00 0.00 C ATOM 0 H THR A 94 -8.822 -6.329 6.276 1.00 0.00 H new ATOM 0 HA THR A 94 -9.088 -3.368 6.286 1.00 0.00 H new ATOM 0 HB THR A 94 -9.203 -4.491 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.361 -3.631 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.075 -5.924 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.003 -6.698 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.587 -6.064 5.200 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.806 -3.184 8.056 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.742 -3.049 9.205 1.00 0.00 C ATOM 1457 C PHE A 95 -13.183 -2.764 8.673 1.00 0.00 C ATOM 1458 O PHE A 95 -13.903 -3.724 8.377 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.218 -2.033 10.261 1.00 0.00 C ATOM 1460 CG PHE A 95 -9.876 -2.279 10.976 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -9.832 -3.033 12.153 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -8.721 -1.613 10.547 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.658 -3.108 12.898 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -7.550 -1.686 11.299 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.519 -2.431 12.474 1.00 0.00 C ATOM 0 H PHE A 95 -10.297 -2.329 7.832 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.797 -3.989 9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.149 -1.063 9.769 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.983 -1.945 11.032 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.714 -3.560 12.486 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.738 -1.041 9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.632 -3.692 13.806 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.664 -1.163 10.969 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.611 -2.484 13.057 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.591 -1.485 8.522 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.879 -1.092 7.904 1.00 0.00 C ATOM 1477 C LYS A 96 -14.558 -0.283 6.615 1.00 0.00 C ATOM 1478 O LYS A 96 -14.596 0.952 6.606 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.659 -0.312 8.999 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.068 0.185 8.627 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.102 -0.873 8.180 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.636 -1.839 9.260 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.715 -2.951 9.561 1.00 0.00 N ATOM 0 H LYS A 96 -13.032 -0.689 8.828 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.508 -1.922 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.746 -0.953 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.061 0.551 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.477 0.712 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.966 0.916 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.953 -0.350 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.653 -1.469 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.828 -1.278 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.591 -2.248 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.075 -3.826 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.774 -2.737 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.646 -3.075 10.591 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.180 -1.004 5.536 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.548 -0.412 4.312 1.00 0.00 C ATOM 1499 C ASN A 97 -12.288 0.490 4.582 1.00 0.00 C ATOM 1500 O ASN A 97 -12.174 1.597 4.044 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.601 0.249 3.368 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.678 -0.693 2.789 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.410 -1.494 1.893 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -16.906 -0.616 3.279 1.00 0.00 N ATOM 0 H ASN A 97 -14.300 -2.015 5.479 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.132 -1.262 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.102 1.046 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.072 0.717 2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.640 -1.224 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.118 0.051 4.021 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.352 0.007 5.427 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.120 0.752 5.810 1.00 0.00 C ATOM 1513 C ILE A 98 -8.995 -0.315 5.698 1.00 0.00 C ATOM 1514 O ILE A 98 -8.743 -1.049 6.658 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.219 1.426 7.232 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.353 2.489 7.353 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.877 2.089 7.641 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.767 2.863 8.785 1.00 0.00 C ATOM 0 H ILE A 98 -11.424 -0.911 5.866 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.932 1.609 5.163 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.460 0.605 7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -11.033 3.395 6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.232 2.117 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.981 2.544 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.092 1.333 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.614 2.856 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.561 3.609 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.126 1.974 9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.908 3.272 9.317 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.320 -0.377 4.531 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.299 -1.417 4.230 1.00 0.00 C ATOM 1532 C LYS A 99 -5.977 -1.094 4.985 1.00 0.00 C ATOM 1533 O LYS A 99 -5.211 -0.213 4.582 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.124 -1.518 2.688 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.552 -2.849 2.146 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.084 -3.165 2.513 1.00 0.00 C ATOM 1537 CE LYS A 99 -4.497 -4.403 1.808 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.184 -4.164 0.387 1.00 0.00 N ATOM 0 H LYS A 99 -8.463 0.287 3.770 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.620 -2.397 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.095 -1.349 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.470 -0.708 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.178 -3.664 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.639 -2.841 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.468 -2.299 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.017 -3.311 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.590 -4.713 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.206 -5.228 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.793 -5.031 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.052 -3.895 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.486 -3.397 0.310 1.00 0.00 H new ATOM 1552 N SER A 100 -5.763 -1.809 6.100 1.00 0.00 N ATOM 1553 CA SER A 100 -4.706 -1.478 7.086 1.00 0.00 C ATOM 1554 C SER A 100 -3.618 -2.573 7.064 1.00 0.00 C ATOM 1555 O SER A 100 -3.795 -3.672 7.602 1.00 0.00 O ATOM 1556 CB SER A 100 -5.317 -1.302 8.493 1.00 0.00 C ATOM 1557 OG SER A 100 -6.262 -0.239 8.508 1.00 0.00 O ATOM 0 H SER A 100 -6.312 -2.632 6.349 1.00 0.00 H new ATOM 0 HA SER A 100 -4.239 -0.531 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.801 -2.228 8.802 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.525 -1.100 9.215 1.00 0.00 H new ATOM 0 HG SER A 100 -6.951 -0.423 9.180 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.478 -2.226 6.448 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.234 -3.039 6.511 1.00 0.00 C ATOM 1565 C VAL A 101 -0.365 -2.618 7.732 1.00 0.00 C ATOM 1566 O VAL A 101 -0.458 -1.492 8.229 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.429 -3.011 5.165 1.00 0.00 C ATOM 1568 CG1 VAL A 101 -1.115 -3.848 4.062 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -0.063 -1.613 4.622 1.00 0.00 C ATOM 0 H VAL A 101 -2.383 -1.377 5.891 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.527 -4.079 6.656 1.00 0.00 H new ATOM 0 HB VAL A 101 0.522 -3.468 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.523 -3.800 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.195 -4.885 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.112 -3.450 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.491 -1.719 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.974 -1.043 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.553 -1.089 5.353 1.00 0.00 H new ATOM 1579 N THR A 102 0.489 -3.549 8.196 1.00 0.00 N ATOM 1580 CA THR A 102 1.503 -3.262 9.249 1.00 0.00 C ATOM 1581 C THR A 102 2.824 -3.949 8.785 1.00 0.00 C ATOM 1582 O THR A 102 3.099 -5.089 9.171 1.00 0.00 O ATOM 1583 CB THR A 102 1.012 -3.752 10.650 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.341 -3.386 10.905 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.861 -3.217 11.811 1.00 0.00 C ATOM 0 H THR A 102 0.503 -4.513 7.862 1.00 0.00 H new ATOM 0 HA THR A 102 1.670 -2.192 9.371 1.00 0.00 H new ATOM 0 HB THR A 102 1.109 -4.837 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.414 -2.409 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.467 -3.595 12.754 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.892 -3.548 11.690 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.828 -2.128 11.814 1.00 0.00 H new ATOM 1593 N GLU A 103 3.629 -3.266 7.943 1.00 0.00 N ATOM 1594 CA GLU A 103 4.849 -3.863 7.333 1.00 0.00 C ATOM 1595 C GLU A 103 6.098 -3.419 8.135 1.00 0.00 C ATOM 1596 O GLU A 103 6.421 -2.233 8.209 1.00 0.00 O ATOM 1597 CB GLU A 103 4.957 -3.455 5.840 1.00 0.00 C ATOM 1598 CG GLU A 103 6.045 -4.232 5.061 1.00 0.00 C ATOM 1599 CD GLU A 103 6.113 -3.833 3.586 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.377 -4.424 2.765 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.903 -2.926 3.239 1.00 0.00 O ATOM 0 H GLU A 103 3.460 -2.299 7.666 1.00 0.00 H new ATOM 0 HA GLU A 103 4.784 -4.950 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.993 -3.615 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.171 -2.388 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.015 -4.056 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.846 -5.301 5.135 1.00 0.00 H new ATOM 1608 N LEU A 104 6.818 -4.403 8.686 1.00 0.00 N ATOM 1609 CA LEU A 104 8.052 -4.176 9.479 1.00 0.00 C ATOM 1610 C LEU A 104 9.263 -4.125 8.506 1.00 0.00 C ATOM 1611 O LEU A 104 9.609 -5.142 7.891 1.00 0.00 O ATOM 1612 CB LEU A 104 8.152 -5.334 10.514 1.00 0.00 C ATOM 1613 CG LEU A 104 8.993 -5.121 11.800 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.026 -6.446 12.588 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.431 -4.620 11.581 1.00 0.00 C ATOM 0 H LEU A 104 6.567 -5.388 8.599 1.00 0.00 H new ATOM 0 HA LEU A 104 8.039 -3.230 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.138 -5.589 10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.556 -6.204 9.997 1.00 0.00 H new ATOM 0 HG LEU A 104 8.499 -4.320 12.350 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.614 -6.315 13.496 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.010 -6.737 12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.478 -7.224 11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.927 -4.506 12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.979 -5.341 10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.407 -3.658 11.069 1.00 0.00 H new ATOM 1627 N ASN A 105 9.893 -2.942 8.369 1.00 0.00 N ATOM 1628 CA ASN A 105 11.056 -2.751 7.455 1.00 0.00 C ATOM 1629 C ASN A 105 12.349 -2.562 8.302 1.00 0.00 C ATOM 1630 O ASN A 105 12.862 -1.445 8.442 1.00 0.00 O ATOM 1631 CB ASN A 105 10.805 -1.578 6.463 1.00 0.00 C ATOM 1632 CG ASN A 105 9.672 -1.791 5.438 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.875 -2.330 4.351 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.464 -1.372 5.773 1.00 0.00 N ATOM 0 H ASN A 105 9.622 -2.099 8.876 1.00 0.00 H new ATOM 0 HA ASN A 105 11.188 -3.639 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.582 -0.681 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.729 -1.385 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.684 -1.494 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.311 -0.927 6.678 1.00 0.00 H new ATOM 1641 N GLY A 106 12.866 -3.673 8.869 1.00 0.00 N ATOM 1642 CA GLY A 106 14.090 -3.660 9.708 1.00 0.00 C ATOM 1643 C GLY A 106 13.824 -3.220 11.162 1.00 0.00 C ATOM 1644 O GLY A 106 13.536 -4.050 12.028 1.00 0.00 O ATOM 0 H GLY A 106 12.452 -4.599 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.531 -4.657 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.823 -2.989 9.260 1.00 0.00 H new ATOM 1648 N ASP A 107 13.906 -1.902 11.387 1.00 0.00 N ATOM 1649 CA ASP A 107 13.372 -1.236 12.611 1.00 0.00 C ATOM 1650 C ASP A 107 12.045 -0.466 12.321 1.00 0.00 C ATOM 1651 O ASP A 107 11.106 -0.565 13.116 1.00 0.00 O ATOM 1652 CB ASP A 107 14.438 -0.290 13.231 1.00 0.00 C ATOM 1653 CG ASP A 107 15.636 -1.002 13.878 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.516 -1.461 15.034 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.698 -1.109 13.226 1.00 0.00 O ATOM 0 H ASP A 107 14.343 -1.255 10.731 1.00 0.00 H new ATOM 0 HA ASP A 107 13.141 -2.018 13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.808 0.377 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.955 0.334 13.983 1.00 0.00 H new ATOM 1660 N ILE A 108 11.965 0.311 11.217 1.00 0.00 N ATOM 1661 CA ILE A 108 10.863 1.271 10.953 1.00 0.00 C ATOM 1662 C ILE A 108 9.609 0.485 10.461 1.00 0.00 C ATOM 1663 O ILE A 108 9.593 -0.053 9.349 1.00 0.00 O ATOM 1664 CB ILE A 108 11.328 2.397 9.956 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.570 3.233 10.418 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.185 3.397 9.660 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.946 2.651 10.053 1.00 0.00 C ATOM 0 H ILE A 108 12.667 0.291 10.477 1.00 0.00 H new ATOM 0 HA ILE A 108 10.585 1.789 11.871 1.00 0.00 H new ATOM 0 HB ILE A 108 11.619 1.837 9.067 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.493 4.231 9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.522 3.350 11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.540 4.161 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.344 2.866 9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.865 3.869 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.730 3.312 10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.057 1.667 10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 108 14.027 2.561 8.970 1.00 0.00 H new ATOM 1679 N ILE A 109 8.560 0.466 11.301 1.00 0.00 N ATOM 1680 CA ILE A 109 7.269 -0.204 10.999 1.00 0.00 C ATOM 1681 C ILE A 109 6.327 0.821 10.292 1.00 0.00 C ATOM 1682 O ILE A 109 5.948 1.850 10.860 1.00 0.00 O ATOM 1683 CB ILE A 109 6.711 -0.895 12.293 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.672 -2.003 11.978 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.154 0.075 13.362 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.404 -2.927 13.175 1.00 0.00 C ATOM 0 H ILE A 109 8.577 0.916 12.216 1.00 0.00 H new ATOM 0 HA ILE A 109 7.380 -1.025 10.291 1.00 0.00 H new ATOM 0 HB ILE A 109 7.594 -1.357 12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.736 -1.539 11.667 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.027 -2.599 11.137 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.792 -0.495 14.218 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.944 0.753 13.686 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.333 0.652 12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.669 -3.682 12.895 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.332 -3.416 13.472 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.021 -2.340 14.009 1.00 0.00 H new ATOM 1698 N THR A 110 5.994 0.525 9.030 1.00 0.00 N ATOM 1699 CA THR A 110 5.203 1.420 8.148 1.00 0.00 C ATOM 1700 C THR A 110 3.751 0.864 8.119 1.00 0.00 C ATOM 1701 O THR A 110 3.478 -0.152 7.469 1.00 0.00 O ATOM 1702 CB THR A 110 5.873 1.461 6.741 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.236 1.871 6.849 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.195 2.431 5.761 1.00 0.00 C ATOM 0 H THR A 110 6.264 -0.349 8.579 1.00 0.00 H new ATOM 0 HA THR A 110 5.171 2.448 8.508 1.00 0.00 H new ATOM 0 HB THR A 110 5.778 0.447 6.354 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.643 1.890 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.716 2.405 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.156 2.135 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.231 3.442 6.166 1.00 0.00 H new ATOM 1712 N ASN A 111 2.840 1.537 8.841 1.00 0.00 N ATOM 1713 CA ASN A 111 1.439 1.076 9.014 1.00 0.00 C ATOM 1714 C ASN A 111 0.518 1.996 8.174 1.00 0.00 C ATOM 1715 O ASN A 111 0.243 3.135 8.566 1.00 0.00 O ATOM 1716 CB ASN A 111 1.138 1.034 10.538 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.258 0.532 10.943 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -0.460 -0.646 11.223 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.249 1.406 10.998 1.00 0.00 N ATOM 0 H ASN A 111 3.046 2.413 9.322 1.00 0.00 H new ATOM 0 HA ASN A 111 1.260 0.067 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.883 0.398 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.271 2.038 10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.183 1.102 11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.080 2.384 10.765 1.00 0.00 H new ATOM 1726 N THR A 112 0.062 1.486 7.013 1.00 0.00 N ATOM 1727 CA THR A 112 -0.619 2.318 5.987 1.00 0.00 C ATOM 1728 C THR A 112 -2.135 1.963 5.979 1.00 0.00 C ATOM 1729 O THR A 112 -2.537 0.902 5.493 1.00 0.00 O ATOM 1730 CB THR A 112 0.091 2.145 4.611 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.497 2.353 4.735 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.406 3.133 3.553 1.00 0.00 C ATOM 0 H THR A 112 0.150 0.503 6.757 1.00 0.00 H new ATOM 0 HA THR A 112 -0.548 3.380 6.221 1.00 0.00 H new ATOM 0 HB THR A 112 -0.140 1.127 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.923 2.238 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.126 2.962 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.475 2.989 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.224 4.152 3.893 1.00 0.00 H new ATOM 1740 N MET A 113 -2.952 2.884 6.521 1.00 0.00 N ATOM 1741 CA MET A 113 -4.423 2.713 6.669 1.00 0.00 C ATOM 1742 C MET A 113 -5.116 3.566 5.576 1.00 0.00 C ATOM 1743 O MET A 113 -5.078 4.800 5.624 1.00 0.00 O ATOM 1744 CB MET A 113 -4.901 3.160 8.081 1.00 0.00 C ATOM 1745 CG MET A 113 -4.242 2.482 9.298 1.00 0.00 C ATOM 1746 SD MET A 113 -4.748 3.291 10.834 1.00 0.00 S ATOM 1747 CE MET A 113 -6.410 2.642 11.091 1.00 0.00 C ATOM 0 H MET A 113 -2.614 3.779 6.874 1.00 0.00 H new ATOM 0 HA MET A 113 -4.682 1.660 6.556 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.742 4.235 8.166 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.976 2.991 8.142 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.520 1.428 9.328 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.157 2.523 9.200 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.828 3.065 12.004 1.00 0.00 H new ATOM 0 HE2 MET A 113 -7.041 2.912 10.244 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.367 1.556 11.180 1.00 0.00 H new ATOM 1757 N THR A 114 -5.730 2.903 4.581 1.00 0.00 N ATOM 1758 CA THR A 114 -6.309 3.589 3.395 1.00 0.00 C ATOM 1759 C THR A 114 -7.853 3.432 3.451 1.00 0.00 C ATOM 1760 O THR A 114 -8.396 2.356 3.187 1.00 0.00 O ATOM 1761 CB THR A 114 -5.678 3.035 2.086 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.256 3.154 2.132 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.145 3.753 0.805 1.00 0.00 C ATOM 0 H THR A 114 -5.842 1.889 4.568 1.00 0.00 H new ATOM 0 HA THR A 114 -6.078 4.654 3.405 1.00 0.00 H new ATOM 0 HB THR A 114 -6.007 1.997 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.871 2.800 1.303 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.658 3.305 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.226 3.653 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.882 4.809 0.864 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.542 4.546 3.744 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.031 4.638 3.688 1.00 0.00 C ATOM 1773 C LEU A 115 -10.577 4.546 2.228 1.00 0.00 C ATOM 1774 O LEU A 115 -11.359 3.639 1.926 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.470 5.908 4.482 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.983 6.270 4.533 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.867 5.188 5.183 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -12.186 7.612 5.263 1.00 0.00 C ATOM 0 H LEU A 115 -8.092 5.416 4.028 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.487 3.775 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.123 5.793 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.940 6.762 4.060 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.304 6.347 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.906 5.517 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.778 4.259 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.542 5.022 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.249 7.854 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.804 7.534 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.649 8.399 4.733 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.142 5.459 1.346 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.454 5.406 -0.097 1.00 0.00 C ATOM 1792 C GLY A 116 -9.374 6.174 -0.874 1.00 0.00 C ATOM 1793 O GLY A 116 -8.433 5.567 -1.396 1.00 0.00 O ATOM 0 H GLY A 116 -9.563 6.257 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.495 4.371 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.435 5.842 -0.286 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.505 7.510 -0.905 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.433 8.420 -1.407 1.00 0.00 C ATOM 1799 C ASP A 117 -7.319 8.757 -0.360 1.00 0.00 C ATOM 1800 O ASP A 117 -6.178 8.994 -0.771 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.059 9.736 -1.948 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.919 9.581 -3.213 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -9.354 9.534 -4.327 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -11.162 9.500 -3.093 1.00 0.00 O ATOM 0 H ASP A 117 -10.343 7.997 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.936 7.870 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.673 10.177 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.256 10.442 -2.159 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.631 8.811 0.955 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.706 9.325 2.004 1.00 0.00 C ATOM 1811 C ILE A 118 -5.779 8.152 2.450 1.00 0.00 C ATOM 1812 O ILE A 118 -6.254 7.133 2.965 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.506 9.960 3.198 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.467 11.119 2.780 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.550 10.473 4.308 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.556 11.462 3.809 1.00 0.00 C ATOM 0 H ILE A 118 -8.530 8.501 1.324 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.085 10.128 1.608 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.126 9.148 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.873 12.013 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.948 10.851 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.134 10.907 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.958 9.642 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.886 11.231 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.172 12.277 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.181 10.586 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.089 11.766 4.746 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.461 8.347 2.274 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.426 7.339 2.636 1.00 0.00 C ATOM 1830 C VAL A 119 -2.784 7.826 3.974 1.00 0.00 C ATOM 1831 O VAL A 119 -1.895 8.685 3.975 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.410 7.147 1.454 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.258 6.172 1.795 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.074 6.638 0.148 1.00 0.00 C ATOM 0 H VAL A 119 -4.074 9.204 1.878 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.843 6.345 2.796 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.013 8.150 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.591 6.083 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.700 6.553 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.670 5.193 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.315 6.528 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.547 5.674 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.827 7.355 -0.181 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.243 7.249 5.100 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.714 7.563 6.453 1.00 0.00 C ATOM 1846 C PHE A 120 -1.532 6.616 6.795 1.00 0.00 C ATOM 1847 O PHE A 120 -1.740 5.483 7.239 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.884 7.481 7.472 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.526 7.710 8.954 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -3.129 8.975 9.386 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.534 6.649 9.865 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.702 9.172 10.694 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.136 6.850 11.184 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.710 8.111 11.594 1.00 0.00 C ATOM 0 H PHE A 120 -3.989 6.553 5.105 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.311 8.575 6.493 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.637 8.215 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.347 6.498 7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -3.153 9.808 8.699 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.851 5.668 9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -2.364 10.148 11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.158 6.030 11.887 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.385 8.266 12.612 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.298 7.111 6.611 1.00 0.00 N ATOM 1865 CA LYS A 121 0.935 6.314 6.840 1.00 0.00 C ATOM 1866 C LYS A 121 1.592 6.760 8.175 1.00 0.00 C ATOM 1867 O LYS A 121 2.084 7.886 8.291 1.00 0.00 O ATOM 1868 CB LYS A 121 1.846 6.472 5.594 1.00 0.00 C ATOM 1869 CG LYS A 121 3.081 5.546 5.566 1.00 0.00 C ATOM 1870 CD LYS A 121 3.949 5.694 4.299 1.00 0.00 C ATOM 1871 CE LYS A 121 3.331 5.066 3.034 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.220 5.215 1.868 1.00 0.00 N ATOM 0 H LYS A 121 -0.119 8.066 6.302 1.00 0.00 H new ATOM 0 HA LYS A 121 0.728 5.250 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.250 6.285 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.185 7.506 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.697 5.752 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.748 4.511 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.127 6.754 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.920 5.235 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.134 4.008 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.371 5.538 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.774 4.782 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.387 6.225 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.127 4.743 2.060 1.00 0.00 H new ATOM 1886 N ARG A 122 1.621 5.851 9.164 1.00 0.00 N ATOM 1887 CA ARG A 122 2.376 6.044 10.431 1.00 0.00 C ATOM 1888 C ARG A 122 3.780 5.397 10.244 1.00 0.00 C ATOM 1889 O ARG A 122 3.928 4.169 10.236 1.00 0.00 O ATOM 1890 CB ARG A 122 1.622 5.354 11.604 1.00 0.00 C ATOM 1891 CG ARG A 122 0.491 6.190 12.235 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.123 5.493 13.465 1.00 0.00 C ATOM 1893 NE ARG A 122 -1.030 6.401 14.208 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.858 6.013 15.196 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -1.999 4.749 15.595 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.574 6.939 15.806 1.00 0.00 N ATOM 0 H ARG A 122 1.125 4.961 9.116 1.00 0.00 H new ATOM 0 HA ARG A 122 2.473 7.104 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.201 4.415 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.344 5.102 12.381 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.880 7.165 12.527 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.287 6.367 11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.674 4.608 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.673 5.152 14.126 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.026 7.389 13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.461 4.009 15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.645 4.522 16.351 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.490 7.916 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.211 6.678 16.559 1.00 0.00 H new ATOM 1910 N ILE A 123 4.805 6.253 10.114 1.00 0.00 N ATOM 1911 CA ILE A 123 6.232 5.834 10.017 1.00 0.00 C ATOM 1912 C ILE A 123 6.744 5.799 11.492 1.00 0.00 C ATOM 1913 O ILE A 123 6.885 6.853 12.115 1.00 0.00 O ATOM 1914 CB ILE A 123 7.039 6.810 9.079 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.527 6.888 7.601 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.545 6.462 9.031 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.480 7.976 7.322 1.00 0.00 C ATOM 0 H ILE A 123 4.678 7.264 10.072 1.00 0.00 H new ATOM 0 HA ILE A 123 6.363 4.855 9.555 1.00 0.00 H new ATOM 0 HB ILE A 123 6.874 7.782 9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.383 7.055 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.102 5.921 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.059 7.162 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.967 6.531 10.034 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.672 5.448 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.193 7.944 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.601 7.803 7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.901 8.954 7.554 1.00 0.00 H new ATOM 1929 N SER A 124 6.973 4.591 12.042 1.00 0.00 N ATOM 1930 CA SER A 124 7.219 4.398 13.501 1.00 0.00 C ATOM 1931 C SER A 124 8.571 3.671 13.722 1.00 0.00 C ATOM 1932 O SER A 124 8.704 2.483 13.431 1.00 0.00 O ATOM 1933 CB SER A 124 6.037 3.610 14.119 1.00 0.00 C ATOM 1934 OG SER A 124 4.878 4.426 14.237 1.00 0.00 O ATOM 0 H SER A 124 6.995 3.725 11.503 1.00 0.00 H new ATOM 0 HA SER A 124 7.283 5.366 13.999 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.812 2.742 13.499 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.322 3.234 15.102 1.00 0.00 H new ATOM 0 HG SER A 124 4.148 3.902 14.628 1.00 0.00 H new ATOM 1940 N LYS A 125 9.572 4.384 14.270 1.00 0.00 N ATOM 1941 CA LYS A 125 10.924 3.820 14.536 1.00 0.00 C ATOM 1942 C LYS A 125 10.941 2.962 15.838 1.00 0.00 C ATOM 1943 O LYS A 125 10.356 3.344 16.856 1.00 0.00 O ATOM 1944 CB LYS A 125 11.932 5.002 14.583 1.00 0.00 C ATOM 1945 CG LYS A 125 13.420 4.586 14.592 1.00 0.00 C ATOM 1946 CD LYS A 125 14.381 5.786 14.537 1.00 0.00 C ATOM 1947 CE LYS A 125 15.858 5.354 14.532 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.758 6.517 14.450 1.00 0.00 N ATOM 0 H LYS A 125 9.476 5.362 14.542 1.00 0.00 H new ATOM 0 HA LYS A 125 11.213 3.136 13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.755 5.646 13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.731 5.597 15.473 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.624 4.006 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.614 3.933 13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.174 6.373 13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.198 6.435 15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.076 4.787 15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.042 4.690 13.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.746 6.192 14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.566 7.044 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.599 7.138 15.269 1.00 0.00 H new ATOM 1962 N ARG A 126 11.652 1.815 15.795 1.00 0.00 N ATOM 1963 CA ARG A 126 11.775 0.883 16.950 1.00 0.00 C ATOM 1964 C ARG A 126 12.687 1.487 18.056 1.00 0.00 C ATOM 1965 O ARG A 126 13.880 1.716 17.835 1.00 0.00 O ATOM 1966 CB ARG A 126 12.282 -0.495 16.437 1.00 0.00 C ATOM 1967 CG ARG A 126 12.112 -1.711 17.376 1.00 0.00 C ATOM 1968 CD ARG A 126 13.231 -1.894 18.421 1.00 0.00 C ATOM 1969 NE ARG A 126 13.031 -3.120 19.236 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.458 -3.156 20.456 1.00 0.00 C ATOM 1971 NH1 ARG A 126 11.982 -2.087 21.090 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.361 -4.325 21.060 1.00 0.00 N ATOM 0 H ARG A 126 12.157 1.505 14.965 1.00 0.00 H new ATOM 0 HA ARG A 126 10.800 0.732 17.413 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.767 -0.717 15.502 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.342 -0.397 16.201 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.160 -1.616 17.899 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.053 -2.614 16.768 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.195 -1.947 17.915 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.262 -1.023 19.076 1.00 0.00 H new ATOM 0 HE ARG A 126 13.352 -4.004 18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.039 -1.167 20.653 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.560 -2.187 22.013 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.714 -5.166 20.603 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.933 -4.388 21.984 1.00 0.00 H new ATOM 1986 N ILE A 127 12.095 1.732 19.240 1.00 0.00 N ATOM 1987 CA ILE A 127 12.806 2.338 20.399 1.00 0.00 C ATOM 1988 C ILE A 127 13.303 1.214 21.325 1.00 0.00 C ATOM 1989 O ILE A 127 14.386 0.663 21.130 1.00 0.00 O ATOM 1990 CB ILE A 127 11.966 3.414 21.155 1.00 0.00 C ATOM 1991 CG1 ILE A 127 10.616 2.905 21.738 1.00 0.00 C ATOM 1992 CG2 ILE A 127 11.773 4.689 20.297 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.132 3.715 22.942 1.00 0.00 C ATOM 0 H ILE A 127 11.115 1.519 19.427 1.00 0.00 H new ATOM 0 HA ILE A 127 13.664 2.892 20.018 1.00 0.00 H new ATOM 0 HB ILE A 127 12.564 3.669 22.030 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.856 2.938 20.958 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.726 1.861 22.032 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.184 5.417 20.855 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.746 5.117 20.057 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.253 4.431 19.374 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.186 3.307 23.299 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.874 3.661 23.739 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.990 4.755 22.648 1.00 0.00 H new