USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 61 SER OG : rot -167:sc= 0.19 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.6 X(o=-1.4,f=-1.2) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.0598 X(o=-1.4,f=-1.5) USER MOD Set 2.2: A 50 ASN : amide:sc= -1.81 K(o=-1.4,f=-2.6!) USER MOD Set 2.3: A 51 GLN : amide:sc= 0.382 X(o=-1.4,f=-1.5) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.7) USER MOD Set 3.2: A 47 MET CE :methyl -167:sc= 0 (180deg=-0.0247) USER MOD Set 4.1: A 10 TYR OH : rot -167:sc= 0.666 USER MOD Set 4.2: A 60 THR OG1 : rot 180:sc= 0.589 USER MOD Set 5.1: A 3 HIS : no HE2:sc= -0.908 K(o=-1.5,f=-3.4) USER MOD Set 5.2: A 4 MET CE :methyl -177:sc= -0.643 (180deg=-0.595) USER MOD Set 5.3: A 28 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.039 X(o=-0.039,f=-0.046) USER MOD Single : A 19 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-2.1) USER MOD Single : A 23 THR OG1 : rot -49:sc= 0.691 USER MOD Single : A 33 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 41 MET CE :methyl -105:sc= 0 (180deg=-0.382) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.037) USER MOD Single : A 45 THR OG1 : rot -18:sc= 0.729 USER MOD Single : A 49 SER OG : rot -83:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 59 SER OG : rot -68:sc= 0.703 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 26:sc= 0.165 USER MOD Single : A 68 SER OG : rot 175:sc= 1.04 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 86 TYR OH : rot 33:sc= 1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -69:sc= 1.66 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0017) USER MOD Single : A 102 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=-0.54) USER MOD Single : A 103 TYR OH : rot 110:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 109 MET CE :methyl -141:sc= -0.11 (180deg=-1.02) USER MOD Single : A 113 ASN : amide:sc= 0.258 K(o=0.26,f=-1.3) USER MOD Single : A 115 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -13.092 -4.926 6.422 1.00 0.00 N ATOM 20 CA HIS A 3 -12.132 -4.507 5.391 1.00 0.00 C ATOM 21 C HIS A 3 -11.800 -5.595 4.363 1.00 0.00 C ATOM 22 O HIS A 3 -12.013 -5.356 3.180 1.00 0.00 O ATOM 23 CB HIS A 3 -10.895 -3.765 5.949 1.00 0.00 C ATOM 24 CG HIS A 3 -9.749 -4.657 6.355 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.620 -5.276 7.572 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.713 -5.083 5.561 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.573 -6.106 7.496 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.991 -6.025 6.293 1.00 0.00 N ATOM 0 HA HIS A 3 -12.665 -3.751 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.540 -3.063 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.202 -3.176 6.813 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.215 -5.130 8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.497 -4.750 4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.243 -6.753 8.296 1.00 0.00 H new ATOM 36 N MET A 4 -11.336 -6.776 4.782 1.00 0.00 N ATOM 37 CA MET A 4 -10.976 -7.909 3.932 1.00 0.00 C ATOM 38 C MET A 4 -12.034 -8.137 2.860 1.00 0.00 C ATOM 39 O MET A 4 -11.714 -8.321 1.689 1.00 0.00 O ATOM 40 CB MET A 4 -10.873 -9.175 4.799 1.00 0.00 C ATOM 41 CG MET A 4 -9.532 -9.325 5.517 1.00 0.00 C ATOM 42 SD MET A 4 -8.213 -9.991 4.469 1.00 0.00 S ATOM 43 CE MET A 4 -7.283 -8.506 4.029 1.00 0.00 C ATOM 0 H MET A 4 -11.195 -6.975 5.772 1.00 0.00 H new ATOM 0 HA MET A 4 -10.022 -7.693 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.672 -9.162 5.540 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.037 -10.049 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.224 -8.352 5.899 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.663 -9.979 6.379 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.478 -8.771 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.948 -7.789 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.861 -8.061 4.930 1.00 0.00 H new ATOM 53 N GLU A 5 -13.302 -8.123 3.255 1.00 0.00 N ATOM 54 CA GLU A 5 -14.385 -8.557 2.392 1.00 0.00 C ATOM 55 C GLU A 5 -14.554 -7.628 1.179 1.00 0.00 C ATOM 56 O GLU A 5 -14.917 -8.097 0.102 1.00 0.00 O ATOM 57 CB GLU A 5 -15.700 -8.644 3.176 1.00 0.00 C ATOM 58 CG GLU A 5 -15.587 -9.000 4.660 1.00 0.00 C ATOM 59 CD GLU A 5 -14.955 -10.358 4.951 1.00 0.00 C ATOM 60 OE1 GLU A 5 -15.261 -11.336 4.228 1.00 0.00 O ATOM 61 OE2 GLU A 5 -14.192 -10.439 5.938 1.00 0.00 O ATOM 0 H GLU A 5 -13.603 -7.812 4.178 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.126 -9.549 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.211 -7.685 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.336 -9.387 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.001 -8.229 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.584 -8.978 5.100 1.00 0.00 H new ATOM 68 N VAL A 6 -14.255 -6.333 1.336 1.00 0.00 N ATOM 69 CA VAL A 6 -14.305 -5.336 0.265 1.00 0.00 C ATOM 70 C VAL A 6 -13.369 -5.781 -0.865 1.00 0.00 C ATOM 71 O VAL A 6 -13.735 -5.766 -2.041 1.00 0.00 O ATOM 72 CB VAL A 6 -13.918 -3.950 0.846 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.827 -2.823 -0.192 1.00 0.00 C ATOM 74 CG2 VAL A 6 -14.914 -3.510 1.934 1.00 0.00 C ATOM 0 H VAL A 6 -13.965 -5.942 2.233 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.309 -5.248 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.920 -4.101 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.551 -1.893 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.072 -3.074 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.793 -2.701 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.620 -2.536 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.914 -3.442 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.915 -4.240 2.743 1.00 0.00 H new ATOM 84 N PHE A 7 -12.162 -6.204 -0.494 1.00 0.00 N ATOM 85 CA PHE A 7 -11.062 -6.493 -1.396 1.00 0.00 C ATOM 86 C PHE A 7 -11.036 -7.964 -1.833 1.00 0.00 C ATOM 87 O PHE A 7 -10.278 -8.327 -2.737 1.00 0.00 O ATOM 88 CB PHE A 7 -9.773 -6.110 -0.658 1.00 0.00 C ATOM 89 CG PHE A 7 -9.765 -4.694 -0.107 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.864 -3.587 -0.974 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.680 -4.483 1.283 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.849 -2.280 -0.454 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.651 -3.178 1.799 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.725 -2.077 0.929 1.00 0.00 C ATOM 0 H PHE A 7 -11.920 -6.359 0.485 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.174 -5.920 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.618 -6.808 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.930 -6.227 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.952 -3.743 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.637 -5.328 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.933 -1.433 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.572 -3.020 2.864 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.686 -1.073 1.325 1.00 0.00 H new ATOM 104 N ALA A 8 -11.856 -8.820 -1.222 1.00 0.00 N ATOM 105 CA ALA A 8 -11.818 -10.266 -1.397 1.00 0.00 C ATOM 106 C ALA A 8 -12.302 -10.672 -2.784 1.00 0.00 C ATOM 107 O ALA A 8 -11.825 -11.639 -3.376 1.00 0.00 O ATOM 108 CB ALA A 8 -12.722 -10.893 -0.345 1.00 0.00 C ATOM 0 H ALA A 8 -12.583 -8.515 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.790 -10.611 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.711 -11.977 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.363 -10.625 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.740 -10.526 -0.474 1.00 0.00 H new ATOM 114 N GLU A 9 -13.250 -9.918 -3.332 1.00 0.00 N ATOM 115 CA GLU A 9 -13.743 -10.153 -4.676 1.00 0.00 C ATOM 116 C GLU A 9 -12.686 -9.827 -5.734 1.00 0.00 C ATOM 117 O GLU A 9 -12.835 -10.271 -6.868 1.00 0.00 O ATOM 118 CB GLU A 9 -14.991 -9.287 -4.902 1.00 0.00 C ATOM 119 CG GLU A 9 -16.233 -9.759 -4.133 1.00 0.00 C ATOM 120 CD GLU A 9 -17.477 -8.964 -4.549 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.454 -7.715 -4.450 1.00 0.00 O ATOM 122 OE2 GLU A 9 -18.461 -9.597 -5.005 1.00 0.00 O ATOM 0 H GLU A 9 -13.693 -9.132 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.988 -11.210 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.765 -8.261 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.221 -9.272 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.397 -10.820 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.066 -9.645 -3.062 1.00 0.00 H new ATOM 129 N TYR A 10 -11.620 -9.098 -5.385 1.00 0.00 N ATOM 130 CA TYR A 10 -10.452 -8.995 -6.242 1.00 0.00 C ATOM 131 C TYR A 10 -9.613 -10.256 -6.073 1.00 0.00 C ATOM 132 O TYR A 10 -9.319 -10.934 -7.055 1.00 0.00 O ATOM 133 CB TYR A 10 -9.645 -7.736 -5.908 1.00 0.00 C ATOM 134 CG TYR A 10 -8.529 -7.449 -6.890 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.850 -7.257 -8.242 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.193 -7.314 -6.460 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.844 -6.960 -9.168 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.177 -6.986 -7.378 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.511 -6.807 -8.742 1.00 0.00 C ATOM 140 OH TYR A 10 -5.570 -6.485 -9.667 1.00 0.00 O ATOM 0 H TYR A 10 -11.550 -8.573 -4.513 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.761 -8.908 -7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.320 -6.880 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.220 -7.842 -4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.876 -7.339 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.947 -7.463 -5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.091 -6.848 -10.213 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.156 -6.872 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.677 -6.613 -9.284 1.00 0.00 H new ATOM 150 N LEU A 11 -9.275 -10.592 -4.819 1.00 0.00 N ATOM 151 CA LEU A 11 -8.423 -11.726 -4.467 1.00 0.00 C ATOM 152 C LEU A 11 -8.868 -13.002 -5.160 1.00 0.00 C ATOM 153 O LEU A 11 -8.028 -13.721 -5.697 1.00 0.00 O ATOM 154 CB LEU A 11 -8.416 -11.980 -2.950 1.00 0.00 C ATOM 155 CG LEU A 11 -7.764 -10.881 -2.106 1.00 0.00 C ATOM 156 CD1 LEU A 11 -7.844 -11.269 -0.637 1.00 0.00 C ATOM 157 CD2 LEU A 11 -6.291 -10.607 -2.430 1.00 0.00 C ATOM 0 H LEU A 11 -9.597 -10.067 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.419 -11.462 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.445 -12.110 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.897 -12.919 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.317 -9.971 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.382 -10.491 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.889 -11.383 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.319 -12.211 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.917 -9.814 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.708 -11.514 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.199 -10.298 -3.471 1.00 0.00 H new ATOM 169 N LYS A 12 -10.173 -13.290 -5.169 1.00 0.00 N ATOM 170 CA LYS A 12 -10.682 -14.543 -5.674 1.00 0.00 C ATOM 171 C LYS A 12 -10.375 -14.723 -7.156 1.00 0.00 C ATOM 172 O LYS A 12 -10.321 -15.856 -7.627 1.00 0.00 O ATOM 173 CB LYS A 12 -12.176 -14.593 -5.344 1.00 0.00 C ATOM 174 CG LYS A 12 -13.083 -13.851 -6.327 1.00 0.00 C ATOM 175 CD LYS A 12 -14.536 -14.180 -6.001 1.00 0.00 C ATOM 176 CE LYS A 12 -15.047 -13.595 -4.677 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.098 -14.430 -4.057 1.00 0.00 N ATOM 0 H LYS A 12 -10.894 -12.656 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.185 -15.387 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.488 -15.636 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.327 -14.175 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.915 -12.776 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.850 -14.145 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.167 -13.815 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.651 -15.264 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.213 -13.492 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.440 -12.594 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.409 -13.992 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.907 -14.508 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.718 -15.378 -3.862 1.00 0.00 H new ATOM 191 N GLY A 13 -10.195 -13.618 -7.879 1.00 0.00 N ATOM 192 CA GLY A 13 -9.944 -13.583 -9.306 1.00 0.00 C ATOM 193 C GLY A 13 -8.460 -13.480 -9.664 1.00 0.00 C ATOM 194 O GLY A 13 -8.147 -13.467 -10.857 1.00 0.00 O ATOM 0 H GLY A 13 -10.223 -12.688 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.358 -14.483 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.474 -12.734 -9.739 1.00 0.00 H new ATOM 198 N ILE A 14 -7.540 -13.385 -8.694 1.00 0.00 N ATOM 199 CA ILE A 14 -6.104 -13.382 -8.954 1.00 0.00 C ATOM 200 C ILE A 14 -5.686 -14.826 -9.220 1.00 0.00 C ATOM 201 O ILE A 14 -5.677 -15.654 -8.309 1.00 0.00 O ATOM 202 CB ILE A 14 -5.296 -12.756 -7.792 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.800 -11.334 -7.465 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.804 -12.748 -8.181 1.00 0.00 C ATOM 205 CD1 ILE A 14 -5.067 -10.654 -6.301 1.00 0.00 C ATOM 0 H ILE A 14 -7.778 -13.308 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.888 -12.758 -9.821 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.432 -13.351 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.699 -10.712 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.863 -11.384 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.219 -12.310 -7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.469 -13.770 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.668 -12.159 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.484 -9.660 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.189 -11.250 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.007 -10.568 -6.539 1.00 0.00 H new ATOM 217 N ASP A 15 -5.300 -15.135 -10.457 1.00 0.00 N ATOM 218 CA ASP A 15 -4.880 -16.477 -10.863 1.00 0.00 C ATOM 219 C ASP A 15 -3.458 -16.828 -10.379 1.00 0.00 C ATOM 220 O ASP A 15 -2.954 -17.921 -10.651 1.00 0.00 O ATOM 221 CB ASP A 15 -4.989 -16.632 -12.384 1.00 0.00 C ATOM 222 CG ASP A 15 -6.168 -17.505 -12.811 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.046 -18.751 -12.717 1.00 0.00 O ATOM 224 OD2 ASP A 15 -7.175 -16.925 -13.284 1.00 0.00 O ATOM 0 H ASP A 15 -5.269 -14.453 -11.215 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.557 -17.183 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.090 -15.646 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.065 -17.066 -12.767 1.00 0.00 H new ATOM 229 N HIS A 16 -2.788 -15.899 -9.692 1.00 0.00 N ATOM 230 CA HIS A 16 -1.441 -15.993 -9.138 1.00 0.00 C ATOM 231 C HIS A 16 -1.506 -16.046 -7.597 1.00 0.00 C ATOM 232 O HIS A 16 -1.247 -15.031 -6.938 1.00 0.00 O ATOM 233 CB HIS A 16 -0.612 -14.800 -9.670 1.00 0.00 C ATOM 234 CG HIS A 16 0.296 -15.110 -10.835 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.491 -14.476 -11.094 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.114 -16.051 -11.811 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.030 -15.034 -12.187 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.220 -15.991 -12.666 1.00 0.00 N ATOM 0 H HIS A 16 -3.210 -14.991 -9.495 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.948 -16.913 -9.454 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.298 -14.007 -9.967 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.006 -14.408 -8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.730 -16.719 -11.905 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.979 -14.754 -12.620 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.380 -16.564 -13.494 1.00 0.00 H new ATOM 246 N PRO A 17 -1.823 -17.203 -6.988 1.00 0.00 N ATOM 247 CA PRO A 17 -1.862 -17.345 -5.539 1.00 0.00 C ATOM 248 C PRO A 17 -0.502 -17.073 -4.888 1.00 0.00 C ATOM 249 O PRO A 17 -0.488 -16.472 -3.814 1.00 0.00 O ATOM 250 CB PRO A 17 -2.384 -18.754 -5.253 1.00 0.00 C ATOM 251 CG PRO A 17 -2.007 -19.518 -6.512 1.00 0.00 C ATOM 252 CD PRO A 17 -2.140 -18.474 -7.614 1.00 0.00 C ATOM 0 HA PRO A 17 -2.523 -16.600 -5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.920 -19.184 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.461 -18.759 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.993 -19.913 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.670 -20.366 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.459 -18.685 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.149 -18.467 -8.027 1.00 0.00 H new ATOM 260 N ASP A 18 0.624 -17.386 -5.555 1.00 0.00 N ATOM 261 CA ASP A 18 1.980 -17.290 -4.981 1.00 0.00 C ATOM 262 C ASP A 18 2.398 -15.824 -4.746 1.00 0.00 C ATOM 263 O ASP A 18 3.515 -15.541 -4.303 1.00 0.00 O ATOM 264 CB ASP A 18 3.027 -17.948 -5.908 1.00 0.00 C ATOM 265 CG ASP A 18 2.886 -19.439 -6.226 1.00 0.00 C ATOM 266 OD1 ASP A 18 1.977 -20.128 -5.718 1.00 0.00 O ATOM 267 OD2 ASP A 18 3.669 -19.955 -7.060 1.00 0.00 O ATOM 0 H ASP A 18 0.618 -17.717 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 18 1.946 -17.815 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.021 -17.405 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.009 -17.796 -5.460 1.00 0.00 H new ATOM 272 N HIS A 19 1.531 -14.874 -5.107 1.00 0.00 N ATOM 273 CA HIS A 19 1.785 -13.437 -5.115 1.00 0.00 C ATOM 274 C HIS A 19 0.600 -12.681 -4.517 1.00 0.00 C ATOM 275 O HIS A 19 0.783 -11.736 -3.746 1.00 0.00 O ATOM 276 CB HIS A 19 2.032 -12.984 -6.565 1.00 0.00 C ATOM 277 CG HIS A 19 2.915 -13.916 -7.362 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.497 -14.991 -8.112 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.277 -13.965 -7.315 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.584 -15.667 -8.505 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.705 -15.074 -8.055 1.00 0.00 N ATOM 0 H HIS A 19 0.586 -15.101 -5.417 1.00 0.00 H new ATOM 0 HA HIS A 19 2.664 -13.219 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.072 -12.888 -7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.486 -11.993 -6.552 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.917 -13.267 -6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.564 -16.567 -9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.667 -15.371 -8.219 1.00 0.00 H new ATOM 289 N ARG A 20 -0.625 -13.140 -4.809 1.00 0.00 N ATOM 290 CA ARG A 20 -1.835 -12.730 -4.108 1.00 0.00 C ATOM 291 C ARG A 20 -1.586 -12.763 -2.607 1.00 0.00 C ATOM 292 O ARG A 20 -1.797 -11.758 -1.941 1.00 0.00 O ATOM 293 CB ARG A 20 -2.997 -13.662 -4.495 1.00 0.00 C ATOM 294 CG ARG A 20 -4.114 -13.603 -3.451 1.00 0.00 C ATOM 295 CD ARG A 20 -5.453 -14.167 -3.892 1.00 0.00 C ATOM 296 NE ARG A 20 -5.441 -15.606 -4.186 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.772 -16.572 -3.318 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.895 -16.342 -2.011 1.00 0.00 N ATOM 299 NH2 ARG A 20 -5.978 -17.786 -3.803 1.00 0.00 N ATOM 0 H ARG A 20 -0.798 -13.817 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.103 -11.712 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.390 -13.375 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.633 -14.685 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.786 -14.144 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.257 -12.563 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.189 -13.975 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.784 -13.630 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.159 -15.892 -5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.736 -15.405 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.149 -17.103 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.883 -17.958 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.232 -18.549 -3.176 1.00 0.00 H new ATOM 313 N ASP A 21 -1.134 -13.903 -2.097 1.00 0.00 N ATOM 314 CA ASP A 21 -0.957 -14.139 -0.667 1.00 0.00 C ATOM 315 C ASP A 21 -0.102 -13.053 -0.002 1.00 0.00 C ATOM 316 O ASP A 21 -0.411 -12.580 1.087 1.00 0.00 O ATOM 317 CB ASP A 21 -0.313 -15.512 -0.497 1.00 0.00 C ATOM 318 CG ASP A 21 -0.344 -15.962 0.953 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.577 -15.567 1.698 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.250 -16.746 1.319 1.00 0.00 O ATOM 0 H ASP A 21 -0.876 -14.703 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.929 -14.105 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.836 -16.240 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.719 -15.478 -0.847 1.00 0.00 H new ATOM 325 N ARG A 22 0.942 -12.585 -0.695 1.00 0.00 N ATOM 326 CA ARG A 22 1.802 -11.499 -0.218 1.00 0.00 C ATOM 327 C ARG A 22 0.988 -10.214 -0.094 1.00 0.00 C ATOM 328 O ARG A 22 1.107 -9.529 0.913 1.00 0.00 O ATOM 329 CB ARG A 22 3.015 -11.290 -1.160 1.00 0.00 C ATOM 330 CG ARG A 22 3.753 -12.540 -1.693 1.00 0.00 C ATOM 331 CD ARG A 22 4.541 -13.346 -0.649 1.00 0.00 C ATOM 332 NE ARG A 22 3.651 -13.987 0.335 1.00 0.00 N ATOM 333 CZ ARG A 22 3.838 -13.987 1.668 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.029 -13.705 2.183 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.829 -14.241 2.485 1.00 0.00 N ATOM 0 H ARG A 22 1.215 -12.952 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 22 2.191 -11.770 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.673 -10.714 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.743 -10.674 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.021 -13.201 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.442 -12.225 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.136 -14.109 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.239 -12.687 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 22 2.827 -14.470 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.812 -13.486 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.161 -13.708 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.903 -14.438 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.977 -14.240 3.494 1.00 0.00 H new ATOM 349 N THR A 23 0.167 -9.895 -1.094 1.00 0.00 N ATOM 350 CA THR A 23 -0.732 -8.740 -1.138 1.00 0.00 C ATOM 351 C THR A 23 -1.760 -8.797 0.006 1.00 0.00 C ATOM 352 O THR A 23 -2.176 -7.744 0.497 1.00 0.00 O ATOM 353 CB THR A 23 -1.444 -8.738 -2.518 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.589 -9.096 -3.595 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.065 -7.401 -2.936 1.00 0.00 C ATOM 0 H THR A 23 0.107 -10.464 -1.939 1.00 0.00 H new ATOM 0 HA THR A 23 -0.161 -7.821 -1.009 1.00 0.00 H new ATOM 0 HB THR A 23 -2.226 -9.478 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.240 -8.576 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.536 -7.508 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.814 -7.103 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.287 -6.640 -2.990 1.00 0.00 H new ATOM 363 N GLU A 24 -2.242 -9.980 0.406 1.00 0.00 N ATOM 364 CA GLU A 24 -3.176 -10.126 1.524 1.00 0.00 C ATOM 365 C GLU A 24 -2.552 -9.590 2.818 1.00 0.00 C ATOM 366 O GLU A 24 -3.248 -8.928 3.586 1.00 0.00 O ATOM 367 CB GLU A 24 -3.609 -11.595 1.686 1.00 0.00 C ATOM 368 CG GLU A 24 -4.397 -12.118 0.479 1.00 0.00 C ATOM 369 CD GLU A 24 -4.726 -13.623 0.524 1.00 0.00 C ATOM 370 OE1 GLU A 24 -4.496 -14.294 1.563 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.201 -14.140 -0.509 1.00 0.00 O ATOM 0 H GLU A 24 -1.993 -10.864 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.067 -9.537 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.725 -12.215 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.220 -11.692 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.329 -11.559 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.826 -11.912 -0.426 1.00 0.00 H new ATOM 378 N GLU A 25 -1.250 -9.812 3.038 1.00 0.00 N ATOM 379 CA GLU A 25 -0.545 -9.325 4.224 1.00 0.00 C ATOM 380 C GLU A 25 -0.602 -7.805 4.325 1.00 0.00 C ATOM 381 O GLU A 25 -0.935 -7.296 5.398 1.00 0.00 O ATOM 382 CB GLU A 25 0.905 -9.825 4.284 1.00 0.00 C ATOM 383 CG GLU A 25 0.965 -11.345 4.420 1.00 0.00 C ATOM 384 CD GLU A 25 2.303 -11.883 4.950 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.182 -11.098 5.389 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.459 -13.125 4.977 1.00 0.00 O ATOM 0 H GLU A 25 -0.657 -10.336 2.395 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.066 -9.739 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.435 -9.518 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.416 -9.362 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.167 -11.670 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.768 -11.793 3.446 1.00 0.00 H new ATOM 393 N ILE A 26 -0.332 -7.106 3.214 1.00 0.00 N ATOM 394 CA ILE A 26 -0.357 -5.639 3.148 1.00 0.00 C ATOM 395 C ILE A 26 -1.726 -5.163 3.649 1.00 0.00 C ATOM 396 O ILE A 26 -1.794 -4.283 4.507 1.00 0.00 O ATOM 397 CB ILE A 26 -0.077 -5.082 1.716 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.382 -5.233 1.233 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.344 -3.561 1.653 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.842 -6.611 0.805 1.00 0.00 C ATOM 0 H ILE A 26 -0.088 -7.548 2.328 1.00 0.00 H new ATOM 0 HA ILE A 26 0.447 -5.256 3.777 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.740 -5.675 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.529 -4.554 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.038 -4.894 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.142 -3.198 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.385 -3.364 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.306 -3.048 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.885 -6.565 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.744 -7.303 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.228 -6.958 -0.026 1.00 0.00 H new ATOM 412 N LEU A 27 -2.819 -5.709 3.090 1.00 0.00 N ATOM 413 CA LEU A 27 -4.177 -5.253 3.392 1.00 0.00 C ATOM 414 C LEU A 27 -4.434 -5.336 4.894 1.00 0.00 C ATOM 415 O LEU A 27 -4.767 -4.324 5.511 1.00 0.00 O ATOM 416 CB LEU A 27 -5.251 -6.085 2.672 1.00 0.00 C ATOM 417 CG LEU A 27 -5.439 -5.884 1.166 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.402 -6.955 0.644 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.062 -4.527 0.826 1.00 0.00 C ATOM 0 H LEU A 27 -2.781 -6.476 2.419 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.246 -4.224 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.024 -7.138 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.207 -5.884 3.156 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.451 -5.944 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.545 -6.824 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.985 -7.944 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.361 -6.861 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.172 -4.438 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.041 -4.447 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.417 -3.728 1.192 1.00 0.00 H new ATOM 431 N SER A 28 -4.281 -6.535 5.465 1.00 0.00 N ATOM 432 CA SER A 28 -4.579 -6.772 6.862 1.00 0.00 C ATOM 433 C SER A 28 -3.701 -5.895 7.751 1.00 0.00 C ATOM 434 O SER A 28 -4.196 -5.327 8.722 1.00 0.00 O ATOM 435 CB SER A 28 -4.346 -8.245 7.208 1.00 0.00 C ATOM 436 OG SER A 28 -4.836 -9.130 6.222 1.00 0.00 O ATOM 0 H SER A 28 -3.948 -7.359 4.965 1.00 0.00 H new ATOM 0 HA SER A 28 -5.625 -6.521 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.278 -8.416 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.827 -8.469 8.160 1.00 0.00 H new ATOM 0 HG SER A 28 -4.658 -10.054 6.495 1.00 0.00 H new ATOM 442 N TRP A 29 -2.409 -5.787 7.425 1.00 0.00 N ATOM 443 CA TRP A 29 -1.447 -5.004 8.184 1.00 0.00 C ATOM 444 C TRP A 29 -1.823 -3.523 8.171 1.00 0.00 C ATOM 445 O TRP A 29 -1.743 -2.881 9.218 1.00 0.00 O ATOM 446 CB TRP A 29 -0.046 -5.237 7.616 1.00 0.00 C ATOM 447 CG TRP A 29 1.032 -4.432 8.261 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.718 -4.760 9.374 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.534 -3.133 7.860 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.644 -3.776 9.658 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.589 -2.755 8.737 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.183 -2.235 6.838 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.310 -1.568 8.558 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.925 -1.066 6.618 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.005 -0.753 7.459 1.00 0.00 C ATOM 0 H TRP A 29 -2.003 -6.251 6.613 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.457 -5.326 9.225 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.200 -6.294 7.716 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.059 -5.012 6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.566 -5.657 9.956 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.287 -3.802 10.449 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.329 -2.448 6.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.086 -1.286 9.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.666 -0.407 5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.605 0.122 7.258 1.00 0.00 H new ATOM 466 N VAL A 30 -2.263 -2.977 7.030 1.00 0.00 N ATOM 467 CA VAL A 30 -2.770 -1.613 6.961 1.00 0.00 C ATOM 468 C VAL A 30 -3.954 -1.449 7.917 1.00 0.00 C ATOM 469 O VAL A 30 -3.874 -0.621 8.820 1.00 0.00 O ATOM 470 CB VAL A 30 -3.082 -1.188 5.505 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.956 0.075 5.477 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.781 -0.887 4.736 1.00 0.00 C ATOM 0 H VAL A 30 -2.275 -3.470 6.137 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.993 -0.925 7.294 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.613 -2.015 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.161 0.353 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.896 -0.121 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.432 0.891 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.022 -0.590 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.244 -0.078 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.155 -1.779 4.716 1.00 0.00 H new ATOM 482 N ALA A 31 -5.034 -2.212 7.740 1.00 0.00 N ATOM 483 CA ALA A 31 -6.245 -2.032 8.540 1.00 0.00 C ATOM 484 C ALA A 31 -6.023 -2.348 10.025 1.00 0.00 C ATOM 485 O ALA A 31 -6.789 -1.890 10.875 1.00 0.00 O ATOM 486 CB ALA A 31 -7.345 -2.926 7.984 1.00 0.00 C ATOM 0 H ALA A 31 -5.094 -2.960 7.050 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.532 -0.982 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.252 -2.798 8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.546 -2.654 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.026 -3.967 8.030 1.00 0.00 H new ATOM 492 N ALA A 32 -4.992 -3.139 10.350 1.00 0.00 N ATOM 493 CA ALA A 32 -4.559 -3.372 11.708 1.00 0.00 C ATOM 494 C ALA A 32 -3.855 -2.149 12.290 1.00 0.00 C ATOM 495 O ALA A 32 -4.309 -1.628 13.305 1.00 0.00 O ATOM 496 CB ALA A 32 -3.644 -4.590 11.757 1.00 0.00 C ATOM 0 H ALA A 32 -4.435 -3.637 9.655 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.442 -3.561 12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.320 -4.761 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.184 -5.465 11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.772 -4.416 11.126 1.00 0.00 H new ATOM 502 N THR A 33 -2.728 -1.756 11.688 1.00 0.00 N ATOM 503 CA THR A 33 -1.787 -0.764 12.204 1.00 0.00 C ATOM 504 C THR A 33 -2.375 0.643 12.105 1.00 0.00 C ATOM 505 O THR A 33 -2.130 1.485 12.973 1.00 0.00 O ATOM 506 CB THR A 33 -0.485 -0.832 11.384 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.072 -2.173 11.210 1.00 0.00 O ATOM 508 CG2 THR A 33 0.715 -0.088 12.003 1.00 0.00 C ATOM 0 H THR A 33 -2.437 -2.139 10.789 1.00 0.00 H new ATOM 0 HA THR A 33 -1.585 -0.982 13.253 1.00 0.00 H new ATOM 0 HB THR A 33 -0.746 -0.344 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.483 -2.539 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.583 -0.194 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.471 0.969 12.113 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.940 -0.512 12.982 1.00 0.00 H new ATOM 516 N PHE A 34 -3.150 0.905 11.050 1.00 0.00 N ATOM 517 CA PHE A 34 -3.746 2.194 10.764 1.00 0.00 C ATOM 518 C PHE A 34 -5.275 2.035 10.718 1.00 0.00 C ATOM 519 O PHE A 34 -5.885 2.204 9.661 1.00 0.00 O ATOM 520 CB PHE A 34 -3.148 2.822 9.487 1.00 0.00 C ATOM 521 CG PHE A 34 -1.691 2.511 9.192 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.658 2.839 10.092 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.380 1.836 8.000 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.654 2.410 9.827 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.067 1.445 7.721 1.00 0.00 C ATOM 526 CZ PHE A 34 0.947 1.713 8.647 1.00 0.00 C ATOM 0 H PHE A 34 -3.382 0.197 10.354 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.510 2.901 11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.745 2.495 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.258 3.904 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.873 3.416 10.979 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.164 1.616 7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.441 2.619 10.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.163 0.939 6.795 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.957 1.382 8.452 1.00 0.00 H new ATOM 536 N PRO A 35 -5.939 1.723 11.847 1.00 0.00 N ATOM 537 CA PRO A 35 -7.376 1.477 11.856 1.00 0.00 C ATOM 538 C PRO A 35 -8.187 2.747 11.573 1.00 0.00 C ATOM 539 O PRO A 35 -9.382 2.656 11.305 1.00 0.00 O ATOM 540 CB PRO A 35 -7.676 0.905 13.241 1.00 0.00 C ATOM 541 CG PRO A 35 -6.614 1.552 14.123 1.00 0.00 C ATOM 542 CD PRO A 35 -5.404 1.656 13.199 1.00 0.00 C ATOM 0 HA PRO A 35 -7.665 0.787 11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.683 1.159 13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.601 -0.182 13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.931 2.531 14.482 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.397 0.945 15.002 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.812 2.542 13.429 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.747 0.794 13.317 1.00 0.00 H new ATOM 550 N ASN A 36 -7.546 3.925 11.594 1.00 0.00 N ATOM 551 CA ASN A 36 -8.151 5.188 11.180 1.00 0.00 C ATOM 552 C ASN A 36 -8.248 5.320 9.652 1.00 0.00 C ATOM 553 O ASN A 36 -8.562 6.401 9.149 1.00 0.00 O ATOM 554 CB ASN A 36 -7.372 6.371 11.777 1.00 0.00 C ATOM 555 CG ASN A 36 -8.345 7.424 12.267 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.826 7.297 13.389 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.647 8.443 11.485 1.00 0.00 N ATOM 0 H ASN A 36 -6.579 4.022 11.904 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.171 5.199 11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.746 6.029 12.601 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.706 6.797 11.026 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.300 9.158 11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.228 8.516 10.558 1.00 0.00 H new ATOM 564 N LEU A 37 -7.885 4.277 8.894 1.00 0.00 N ATOM 565 CA LEU A 37 -8.090 4.198 7.457 1.00 0.00 C ATOM 566 C LEU A 37 -9.258 3.256 7.192 1.00 0.00 C ATOM 567 O LEU A 37 -9.341 2.181 7.792 1.00 0.00 O ATOM 568 CB LEU A 37 -6.855 3.620 6.747 1.00 0.00 C ATOM 569 CG LEU A 37 -5.542 4.377 6.982 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.428 3.708 6.177 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.648 5.834 6.552 1.00 0.00 C ATOM 0 H LEU A 37 -7.431 3.449 9.280 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.280 5.203 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.722 2.588 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.053 3.595 5.675 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.324 4.349 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.491 4.241 6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.317 2.673 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.680 3.732 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.698 6.337 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.887 5.883 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.435 6.326 7.124 1.00 0.00 H new ATOM 583 N GLU A 38 -10.097 3.592 6.216 1.00 0.00 N ATOM 584 CA GLU A 38 -11.337 2.895 5.914 1.00 0.00 C ATOM 585 C GLU A 38 -11.323 2.404 4.459 1.00 0.00 C ATOM 586 O GLU A 38 -10.816 3.124 3.588 1.00 0.00 O ATOM 587 CB GLU A 38 -12.471 3.901 6.168 1.00 0.00 C ATOM 588 CG GLU A 38 -12.858 3.905 7.660 1.00 0.00 C ATOM 589 CD GLU A 38 -13.979 2.913 8.013 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.694 2.424 7.109 1.00 0.00 O ATOM 591 OE2 GLU A 38 -14.235 2.667 9.216 1.00 0.00 O ATOM 0 H GLU A 38 -9.924 4.383 5.595 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.472 2.011 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.156 4.899 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.339 3.642 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.976 3.669 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.173 4.910 7.941 1.00 0.00 H new ATOM 598 N PRO A 39 -11.900 1.222 4.168 1.00 0.00 N ATOM 599 CA PRO A 39 -11.697 0.514 2.906 1.00 0.00 C ATOM 600 C PRO A 39 -12.535 1.089 1.769 1.00 0.00 C ATOM 601 O PRO A 39 -13.672 1.506 1.992 1.00 0.00 O ATOM 602 CB PRO A 39 -12.139 -0.929 3.176 1.00 0.00 C ATOM 603 CG PRO A 39 -13.176 -0.787 4.288 1.00 0.00 C ATOM 604 CD PRO A 39 -12.635 0.379 5.104 1.00 0.00 C ATOM 0 HA PRO A 39 -10.656 0.599 2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.567 -1.390 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.301 -1.553 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.169 -0.577 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.257 -1.696 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.446 0.935 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.984 0.026 5.904 1.00 0.00 H new ATOM 612 N GLN A 40 -12.022 1.027 0.536 1.00 0.00 N ATOM 613 CA GLN A 40 -12.750 1.425 -0.653 1.00 0.00 C ATOM 614 C GLN A 40 -12.182 0.694 -1.867 1.00 0.00 C ATOM 615 O GLN A 40 -11.007 0.831 -2.203 1.00 0.00 O ATOM 616 CB GLN A 40 -12.658 2.947 -0.761 1.00 0.00 C ATOM 617 CG GLN A 40 -13.145 3.517 -2.089 1.00 0.00 C ATOM 618 CD GLN A 40 -13.474 5.013 -2.051 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.070 5.526 -2.993 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.105 5.763 -1.022 1.00 0.00 N ATOM 0 H GLN A 40 -11.077 0.694 0.343 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.804 1.152 -0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.240 3.392 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.621 3.247 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.381 3.344 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.034 2.969 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.609 5.342 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.317 6.761 -1.016 1.00 0.00 H new ATOM 629 N MET A 41 -13.022 -0.095 -2.531 1.00 0.00 N ATOM 630 CA MET A 41 -12.748 -0.610 -3.863 1.00 0.00 C ATOM 631 C MET A 41 -13.147 0.478 -4.867 1.00 0.00 C ATOM 632 O MET A 41 -14.335 0.805 -4.978 1.00 0.00 O ATOM 633 CB MET A 41 -13.532 -1.918 -4.041 1.00 0.00 C ATOM 634 CG MET A 41 -13.581 -2.393 -5.494 1.00 0.00 C ATOM 635 SD MET A 41 -13.087 -4.109 -5.760 1.00 0.00 S ATOM 636 CE MET A 41 -11.301 -3.856 -5.828 1.00 0.00 C ATOM 0 H MET A 41 -13.920 -0.396 -2.153 1.00 0.00 H new ATOM 0 HA MET A 41 -11.695 -0.842 -4.022 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.077 -2.694 -3.426 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.549 -1.778 -3.676 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.596 -2.262 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.936 -1.749 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.962 -3.930 -6.861 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.058 -2.868 -5.436 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.803 -4.617 -5.227 1.00 0.00 H new ATOM 646 N LYS A 42 -12.183 1.059 -5.585 1.00 0.00 N ATOM 647 CA LYS A 42 -12.408 2.114 -6.578 1.00 0.00 C ATOM 648 C LYS A 42 -11.320 2.014 -7.641 1.00 0.00 C ATOM 649 O LYS A 42 -10.258 1.489 -7.342 1.00 0.00 O ATOM 650 CB LYS A 42 -12.366 3.463 -5.840 1.00 0.00 C ATOM 651 CG LYS A 42 -12.935 4.636 -6.643 1.00 0.00 C ATOM 652 CD LYS A 42 -12.145 5.935 -6.484 1.00 0.00 C ATOM 653 CE LYS A 42 -12.506 6.701 -5.215 1.00 0.00 C ATOM 654 NZ LYS A 42 -12.038 8.092 -5.326 1.00 0.00 N ATOM 0 H LYS A 42 -11.200 0.803 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.373 2.015 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.923 3.372 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.333 3.687 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.959 4.364 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.966 4.809 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.079 5.707 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.326 6.572 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.585 6.681 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.051 6.222 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.285 8.612 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.006 8.102 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.492 8.547 -6.144 1.00 0.00 H new ATOM 668 N TRP A 43 -11.550 2.485 -8.867 1.00 0.00 N ATOM 669 CA TRP A 43 -10.705 2.254 -10.045 1.00 0.00 C ATOM 670 C TRP A 43 -10.353 0.775 -10.260 1.00 0.00 C ATOM 671 O TRP A 43 -9.338 0.464 -10.882 1.00 0.00 O ATOM 672 CB TRP A 43 -9.449 3.143 -10.014 1.00 0.00 C ATOM 673 CG TRP A 43 -9.655 4.602 -10.276 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.296 5.471 -9.468 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.243 5.375 -11.439 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.317 6.726 -10.045 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.680 6.721 -11.263 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.559 5.068 -12.636 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.454 7.714 -12.223 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.344 6.055 -13.619 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.794 7.372 -13.411 1.00 0.00 C ATOM 0 H TRP A 43 -12.364 3.063 -9.078 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.301 2.544 -10.911 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.979 3.035 -9.036 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.743 2.761 -10.751 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.729 5.222 -8.510 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.748 7.548 -9.623 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.196 4.064 -12.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.783 8.728 -12.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.832 5.800 -14.535 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.630 8.122 -14.170 1.00 0.00 H new ATOM 692 N ASN A 44 -11.170 -0.156 -9.758 1.00 0.00 N ATOM 693 CA ASN A 44 -10.886 -1.580 -9.714 1.00 0.00 C ATOM 694 C ASN A 44 -9.602 -1.891 -8.933 1.00 0.00 C ATOM 695 O ASN A 44 -9.008 -2.952 -9.142 1.00 0.00 O ATOM 696 CB ASN A 44 -10.812 -2.197 -11.115 1.00 0.00 C ATOM 697 CG ASN A 44 -11.684 -1.566 -12.191 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.207 -0.799 -13.020 1.00 0.00 O ATOM 699 ND2 ASN A 44 -12.973 -1.868 -12.246 1.00 0.00 N ATOM 0 H ASN A 44 -12.079 0.078 -9.358 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.723 -2.035 -9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.776 -2.155 -11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.079 -3.251 -11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.561 -1.463 -12.975 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.377 -2.505 -11.560 1.00 0.00 H new ATOM 706 N THR A 45 -9.152 -0.999 -8.053 1.00 0.00 N ATOM 707 CA THR A 45 -7.985 -1.156 -7.209 1.00 0.00 C ATOM 708 C THR A 45 -8.412 -1.106 -5.732 1.00 0.00 C ATOM 709 O THR A 45 -9.483 -0.584 -5.388 1.00 0.00 O ATOM 710 CB THR A 45 -6.927 -0.093 -7.567 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.375 1.233 -7.378 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.441 -0.212 -9.016 1.00 0.00 C ATOM 0 H THR A 45 -9.620 -0.104 -7.907 1.00 0.00 H new ATOM 0 HA THR A 45 -7.521 -2.127 -7.379 1.00 0.00 H new ATOM 0 HB THR A 45 -6.109 -0.298 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.354 1.244 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.698 0.560 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.995 -1.194 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.285 -0.086 -9.694 1.00 0.00 H new ATOM 720 N PRO A 46 -7.588 -1.665 -4.838 1.00 0.00 N ATOM 721 CA PRO A 46 -7.716 -1.511 -3.398 1.00 0.00 C ATOM 722 C PRO A 46 -7.151 -0.156 -2.950 1.00 0.00 C ATOM 723 O PRO A 46 -5.932 0.061 -2.952 1.00 0.00 O ATOM 724 CB PRO A 46 -6.922 -2.679 -2.813 1.00 0.00 C ATOM 725 CG PRO A 46 -5.842 -2.913 -3.866 1.00 0.00 C ATOM 726 CD PRO A 46 -6.536 -2.615 -5.167 1.00 0.00 C ATOM 0 HA PRO A 46 -8.753 -1.525 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.493 -2.431 -1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.546 -3.561 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.984 -2.258 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.470 -3.937 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.842 -2.195 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.950 -3.522 -5.608 1.00 0.00 H new ATOM 734 N MET A 47 -8.018 0.753 -2.509 1.00 0.00 N ATOM 735 CA MET A 47 -7.603 1.947 -1.784 1.00 0.00 C ATOM 736 C MET A 47 -8.203 1.919 -0.381 1.00 0.00 C ATOM 737 O MET A 47 -9.059 1.091 -0.050 1.00 0.00 O ATOM 738 CB MET A 47 -7.905 3.233 -2.579 1.00 0.00 C ATOM 739 CG MET A 47 -9.385 3.404 -2.941 1.00 0.00 C ATOM 740 SD MET A 47 -9.885 5.068 -3.467 1.00 0.00 S ATOM 741 CE MET A 47 -9.896 5.936 -1.879 1.00 0.00 C ATOM 0 H MET A 47 -9.026 0.681 -2.645 1.00 0.00 H new ATOM 0 HA MET A 47 -6.519 1.951 -1.668 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.582 4.094 -1.995 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.315 3.230 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.627 2.703 -3.740 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.986 3.121 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.400 6.896 -1.993 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.424 5.334 -1.139 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.871 6.101 -1.548 1.00 0.00 H new ATOM 751 N PHE A 48 -7.736 2.843 0.448 1.00 0.00 N ATOM 752 CA PHE A 48 -8.353 3.184 1.712 1.00 0.00 C ATOM 753 C PHE A 48 -8.427 4.711 1.736 1.00 0.00 C ATOM 754 O PHE A 48 -7.917 5.384 0.838 1.00 0.00 O ATOM 755 CB PHE A 48 -7.581 2.616 2.927 1.00 0.00 C ATOM 756 CG PHE A 48 -6.805 1.328 2.711 1.00 0.00 C ATOM 757 CD1 PHE A 48 -7.414 0.068 2.859 1.00 0.00 C ATOM 758 CD2 PHE A 48 -5.442 1.398 2.373 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.661 -1.103 2.641 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.698 0.237 2.131 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.306 -1.015 2.276 1.00 0.00 C ATOM 0 H PHE A 48 -6.896 3.387 0.250 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.344 2.737 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.882 3.379 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.295 2.450 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.455 -0.001 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.962 2.362 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.126 -2.071 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.662 0.307 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.734 -1.915 2.107 1.00 0.00 H new ATOM 771 N SER A 49 -9.022 5.270 2.775 1.00 0.00 N ATOM 772 CA SER A 49 -9.048 6.699 3.023 1.00 0.00 C ATOM 773 C SER A 49 -8.935 6.888 4.520 1.00 0.00 C ATOM 774 O SER A 49 -9.597 6.155 5.251 1.00 0.00 O ATOM 775 CB SER A 49 -10.393 7.253 2.562 1.00 0.00 C ATOM 776 OG SER A 49 -10.563 7.105 1.167 1.00 0.00 O ATOM 0 H SER A 49 -9.512 4.728 3.487 1.00 0.00 H new ATOM 0 HA SER A 49 -8.241 7.207 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.199 6.737 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.464 8.308 2.828 1.00 0.00 H new ATOM 0 HG SER A 49 -10.117 7.844 0.703 1.00 0.00 H new ATOM 782 N ASN A 50 -8.173 7.871 4.992 1.00 0.00 N ATOM 783 CA ASN A 50 -8.346 8.324 6.362 1.00 0.00 C ATOM 784 C ASN A 50 -9.663 9.066 6.366 1.00 0.00 C ATOM 785 O ASN A 50 -9.731 10.183 5.869 1.00 0.00 O ATOM 786 CB ASN A 50 -7.177 9.167 6.865 1.00 0.00 C ATOM 787 CG ASN A 50 -7.435 9.698 8.277 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.437 10.342 8.549 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.539 9.445 9.212 1.00 0.00 N ATOM 0 H ASN A 50 -7.450 8.356 4.461 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.362 7.487 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.267 8.568 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.011 10.003 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.683 9.787 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.703 8.907 8.985 1.00 0.00 H new ATOM 796 N GLN A 51 -10.716 8.372 6.783 1.00 0.00 N ATOM 797 CA GLN A 51 -12.080 8.837 7.010 1.00 0.00 C ATOM 798 C GLN A 51 -12.820 9.440 5.794 1.00 0.00 C ATOM 799 O GLN A 51 -14.053 9.514 5.816 1.00 0.00 O ATOM 800 CB GLN A 51 -12.127 9.646 8.324 1.00 0.00 C ATOM 801 CG GLN A 51 -11.432 8.859 9.460 1.00 0.00 C ATOM 802 CD GLN A 51 -11.775 9.357 10.856 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.055 10.154 11.457 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.850 8.845 11.428 1.00 0.00 N ATOM 0 H GLN A 51 -10.628 7.377 6.990 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.709 7.957 7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.635 10.609 8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.162 9.853 8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.709 7.808 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.353 8.916 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.436 8.186 10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.095 9.109 12.382 1.00 0.00 H new ATOM 813 N GLY A 52 -12.113 9.719 4.696 1.00 0.00 N ATOM 814 CA GLY A 52 -12.621 10.001 3.364 1.00 0.00 C ATOM 815 C GLY A 52 -11.582 10.595 2.396 1.00 0.00 C ATOM 816 O GLY A 52 -11.911 10.748 1.213 1.00 0.00 O ATOM 0 H GLY A 52 -11.094 9.755 4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.012 9.078 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.458 10.694 3.448 1.00 0.00 H new ATOM 820 N THR A 53 -10.343 10.878 2.821 1.00 0.00 N ATOM 821 CA THR A 53 -9.290 11.484 1.994 1.00 0.00 C ATOM 822 C THR A 53 -8.730 10.483 0.950 1.00 0.00 C ATOM 823 O THR A 53 -9.363 9.459 0.657 1.00 0.00 O ATOM 824 CB THR A 53 -8.206 12.100 2.913 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.690 12.281 4.224 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.756 13.471 2.408 1.00 0.00 C ATOM 0 H THR A 53 -10.037 10.687 3.775 1.00 0.00 H new ATOM 0 HA THR A 53 -9.713 12.295 1.401 1.00 0.00 H new ATOM 0 HB THR A 53 -7.371 11.400 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.985 12.669 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.995 13.873 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.341 13.371 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.610 14.147 2.382 1.00 0.00 H new ATOM 834 N PHE A 54 -7.591 10.762 0.306 1.00 0.00 N ATOM 835 CA PHE A 54 -6.990 9.909 -0.738 1.00 0.00 C ATOM 836 C PHE A 54 -5.525 9.573 -0.421 1.00 0.00 C ATOM 837 O PHE A 54 -4.749 9.192 -1.287 1.00 0.00 O ATOM 838 CB PHE A 54 -7.173 10.570 -2.119 1.00 0.00 C ATOM 839 CG PHE A 54 -6.727 9.721 -3.299 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.541 8.663 -3.753 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.471 9.956 -3.906 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.092 7.839 -4.803 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.031 9.122 -4.950 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.839 8.064 -5.406 1.00 0.00 C ATOM 0 H PHE A 54 -7.046 11.603 0.496 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.510 8.951 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.226 10.822 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.617 11.507 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.504 8.485 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.851 10.774 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.714 7.027 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.067 9.295 -5.405 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.501 7.429 -6.212 1.00 0.00 H new ATOM 854 N ILE A 55 -5.121 9.681 0.841 1.00 0.00 N ATOM 855 CA ILE A 55 -3.731 9.614 1.276 1.00 0.00 C ATOM 856 C ILE A 55 -3.158 8.173 1.159 1.00 0.00 C ATOM 857 O ILE A 55 -2.154 7.851 1.789 1.00 0.00 O ATOM 858 CB ILE A 55 -3.639 10.237 2.698 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.377 11.587 2.900 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.191 10.410 3.175 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.758 11.856 4.366 1.00 0.00 C ATOM 0 H ILE A 55 -5.773 9.822 1.613 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.090 10.199 0.617 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.161 9.494 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.743 12.398 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.280 11.595 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.187 10.849 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.699 9.438 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.657 11.067 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.271 12.815 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.417 11.064 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.856 11.879 4.978 1.00 0.00 H new ATOM 873 N ILE A 56 -3.789 7.238 0.435 1.00 0.00 N ATOM 874 CA ILE A 56 -3.271 5.919 0.124 1.00 0.00 C ATOM 875 C ILE A 56 -4.004 5.316 -1.083 1.00 0.00 C ATOM 876 O ILE A 56 -5.216 5.467 -1.227 1.00 0.00 O ATOM 877 CB ILE A 56 -3.415 5.052 1.387 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.722 3.690 1.213 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.873 4.895 1.851 1.00 0.00 C ATOM 880 CD1 ILE A 56 -2.107 3.296 2.550 1.00 0.00 C ATOM 0 H ILE A 56 -4.715 7.398 0.037 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.220 5.972 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.904 5.588 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.440 2.937 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.952 3.750 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.905 4.273 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.291 5.876 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.458 4.424 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.609 2.331 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.381 4.050 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.891 3.224 3.304 1.00 0.00 H new ATOM 892 N GLY A 57 -3.285 4.536 -1.893 1.00 0.00 N ATOM 893 CA GLY A 57 -3.858 3.602 -2.853 1.00 0.00 C ATOM 894 C GLY A 57 -2.757 2.675 -3.358 1.00 0.00 C ATOM 895 O GLY A 57 -1.613 3.124 -3.500 1.00 0.00 O ATOM 0 H GLY A 57 -2.265 4.540 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.654 3.022 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.305 4.145 -3.686 1.00 0.00 H new ATOM 899 N PHE A 58 -3.052 1.398 -3.620 1.00 0.00 N ATOM 900 CA PHE A 58 -2.129 0.463 -4.264 1.00 0.00 C ATOM 901 C PHE A 58 -2.870 -0.368 -5.308 1.00 0.00 C ATOM 902 O PHE A 58 -4.088 -0.249 -5.451 1.00 0.00 O ATOM 903 CB PHE A 58 -1.349 -0.397 -3.240 1.00 0.00 C ATOM 904 CG PHE A 58 -2.073 -1.268 -2.233 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.614 -2.510 -2.621 1.00 0.00 C ATOM 906 CD2 PHE A 58 -2.025 -0.939 -0.867 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.148 -3.390 -1.663 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.571 -1.809 0.089 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.122 -3.042 -0.302 1.00 0.00 C ATOM 0 H PHE A 58 -3.953 0.980 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.364 1.039 -4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.690 -1.051 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.712 0.282 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.619 -2.789 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.566 -0.013 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.577 -4.331 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.568 -1.530 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.523 -3.717 0.439 1.00 0.00 H new ATOM 919 N SER A 59 -2.145 -1.188 -6.069 1.00 0.00 N ATOM 920 CA SER A 59 -2.704 -2.317 -6.798 1.00 0.00 C ATOM 921 C SER A 59 -1.574 -3.315 -7.019 1.00 0.00 C ATOM 922 O SER A 59 -0.390 -2.949 -7.024 1.00 0.00 O ATOM 923 CB SER A 59 -3.328 -1.832 -8.118 1.00 0.00 C ATOM 924 OG SER A 59 -3.726 -2.877 -8.989 1.00 0.00 O ATOM 0 H SER A 59 -1.138 -1.081 -6.195 1.00 0.00 H new ATOM 0 HA SER A 59 -3.505 -2.802 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.196 -1.213 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.609 -1.197 -8.635 1.00 0.00 H new ATOM 0 HG SER A 59 -2.932 -3.348 -9.319 1.00 0.00 H new ATOM 930 N THR A 60 -1.937 -4.568 -7.280 1.00 0.00 N ATOM 931 CA THR A 60 -1.013 -5.524 -7.859 1.00 0.00 C ATOM 932 C THR A 60 -0.630 -5.001 -9.243 1.00 0.00 C ATOM 933 O THR A 60 -1.456 -4.424 -9.967 1.00 0.00 O ATOM 934 CB THR A 60 -1.642 -6.925 -7.939 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.843 -6.857 -8.658 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.993 -7.539 -6.583 1.00 0.00 C ATOM 0 H THR A 60 -2.869 -4.941 -7.097 1.00 0.00 H new ATOM 0 HA THR A 60 -0.125 -5.625 -7.236 1.00 0.00 H new ATOM 0 HB THR A 60 -0.885 -7.549 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.244 -7.750 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.431 -8.526 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.089 -7.631 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.709 -6.899 -6.068 1.00 0.00 H new ATOM 944 N SER A 61 0.622 -5.228 -9.610 1.00 0.00 N ATOM 945 CA SER A 61 1.127 -5.164 -10.962 1.00 0.00 C ATOM 946 C SER A 61 1.679 -6.560 -11.269 1.00 0.00 C ATOM 947 O SER A 61 1.741 -7.440 -10.401 1.00 0.00 O ATOM 948 CB SER A 61 2.179 -4.055 -11.037 1.00 0.00 C ATOM 949 OG SER A 61 2.496 -3.726 -12.371 1.00 0.00 O ATOM 0 H SER A 61 1.345 -5.474 -8.934 1.00 0.00 H new ATOM 0 HA SER A 61 0.371 -4.914 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.810 -3.168 -10.521 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.082 -4.374 -10.517 1.00 0.00 H new ATOM 0 HG SER A 61 3.302 -3.169 -12.388 1.00 0.00 H new ATOM 955 N LYS A 62 2.070 -6.789 -12.521 1.00 0.00 N ATOM 956 CA LYS A 62 2.274 -8.133 -13.051 1.00 0.00 C ATOM 957 C LYS A 62 3.320 -8.886 -12.229 1.00 0.00 C ATOM 958 O LYS A 62 3.075 -10.024 -11.832 1.00 0.00 O ATOM 959 CB LYS A 62 2.566 -8.049 -14.562 1.00 0.00 C ATOM 960 CG LYS A 62 2.183 -9.325 -15.318 1.00 0.00 C ATOM 961 CD LYS A 62 1.839 -9.075 -16.799 1.00 0.00 C ATOM 962 CE LYS A 62 0.413 -8.519 -16.984 1.00 0.00 C ATOM 963 NZ LYS A 62 -0.004 -8.446 -18.406 1.00 0.00 N ATOM 0 H LYS A 62 2.254 -6.047 -13.196 1.00 0.00 H new ATOM 0 HA LYS A 62 1.367 -8.730 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.021 -7.205 -14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.627 -7.850 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.007 -10.036 -15.258 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.327 -9.788 -14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.558 -8.374 -17.223 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.938 -10.007 -17.355 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.289 -9.148 -16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.358 -7.523 -16.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.970 -8.065 -18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.646 -7.824 -18.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.019 -9.398 -18.824 1.00 0.00 H new ATOM 977 N HIS A 63 4.441 -8.243 -11.890 1.00 0.00 N ATOM 978 CA HIS A 63 5.505 -8.832 -11.076 1.00 0.00 C ATOM 979 C HIS A 63 6.042 -7.841 -10.028 1.00 0.00 C ATOM 980 O HIS A 63 7.245 -7.806 -9.751 1.00 0.00 O ATOM 981 CB HIS A 63 6.570 -9.458 -11.998 1.00 0.00 C ATOM 982 CG HIS A 63 6.186 -10.855 -12.425 1.00 0.00 C ATOM 983 ND1 HIS A 63 6.373 -11.988 -11.665 1.00 0.00 N ATOM 984 CD2 HIS A 63 5.523 -11.225 -13.564 1.00 0.00 C ATOM 985 CE1 HIS A 63 5.785 -13.015 -12.298 1.00 0.00 C ATOM 986 NE2 HIS A 63 5.288 -12.606 -13.481 1.00 0.00 N ATOM 0 H HIS A 63 4.637 -7.284 -12.178 1.00 0.00 H new ATOM 0 HA HIS A 63 5.107 -9.648 -10.473 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.702 -8.831 -12.880 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.529 -9.486 -11.480 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.234 -10.574 -14.376 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.720 -14.023 -11.915 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.829 -13.188 -14.182 1.00 0.00 H new ATOM 994 N HIS A 64 5.165 -7.018 -9.443 1.00 0.00 N ATOM 995 CA HIS A 64 5.453 -6.139 -8.311 1.00 0.00 C ATOM 996 C HIS A 64 4.141 -5.611 -7.716 1.00 0.00 C ATOM 997 O HIS A 64 3.095 -5.709 -8.360 1.00 0.00 O ATOM 998 CB HIS A 64 6.367 -4.970 -8.744 1.00 0.00 C ATOM 999 CG HIS A 64 5.938 -4.203 -9.965 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.351 -4.435 -11.260 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.220 -3.039 -9.958 1.00 0.00 C ATOM 1002 CE1 HIS A 64 5.870 -3.439 -12.023 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.196 -2.559 -11.269 1.00 0.00 N ATOM 0 H HIS A 64 4.198 -6.945 -9.760 1.00 0.00 H new ATOM 0 HA HIS A 64 5.981 -6.711 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.445 -4.271 -7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.367 -5.366 -8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.758 -2.577 -9.098 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.007 -3.359 -13.091 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.750 -1.701 -11.592 1.00 0.00 H new ATOM 1011 N LEU A 65 4.190 -5.009 -6.526 1.00 0.00 N ATOM 1012 CA LEU A 65 3.135 -4.144 -5.984 1.00 0.00 C ATOM 1013 C LEU A 65 3.546 -2.684 -6.233 1.00 0.00 C ATOM 1014 O LEU A 65 4.743 -2.428 -6.376 1.00 0.00 O ATOM 1015 CB LEU A 65 2.990 -4.432 -4.473 1.00 0.00 C ATOM 1016 CG LEU A 65 1.716 -3.857 -3.819 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.458 -4.612 -4.250 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.779 -3.974 -2.296 1.00 0.00 C ATOM 0 H LEU A 65 4.985 -5.111 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 65 2.175 -4.331 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.003 -5.511 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.860 -4.027 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 65 1.667 -2.816 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.414 -4.173 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.345 -4.543 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.545 -5.659 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.869 -3.561 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.872 -5.023 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.642 -3.421 -1.924 1.00 0.00 H new ATOM 1030 N SER A 66 2.605 -1.733 -6.264 1.00 0.00 N ATOM 1031 CA SER A 66 2.874 -0.292 -6.263 1.00 0.00 C ATOM 1032 C SER A 66 2.238 0.321 -5.019 1.00 0.00 C ATOM 1033 O SER A 66 1.042 0.130 -4.829 1.00 0.00 O ATOM 1034 CB SER A 66 2.296 0.383 -7.518 1.00 0.00 C ATOM 1035 OG SER A 66 0.921 0.117 -7.749 1.00 0.00 O ATOM 0 H SER A 66 1.609 -1.951 -6.291 1.00 0.00 H new ATOM 0 HA SER A 66 3.953 -0.135 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.435 1.461 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.867 0.056 -8.387 1.00 0.00 H new ATOM 0 HG SER A 66 0.480 -0.088 -6.898 1.00 0.00 H new ATOM 1041 N VAL A 67 2.985 1.041 -4.185 1.00 0.00 N ATOM 1042 CA VAL A 67 2.498 1.610 -2.926 1.00 0.00 C ATOM 1043 C VAL A 67 2.999 3.056 -2.815 1.00 0.00 C ATOM 1044 O VAL A 67 4.126 3.351 -3.212 1.00 0.00 O ATOM 1045 CB VAL A 67 2.983 0.711 -1.766 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.645 1.239 -0.370 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.355 -0.687 -1.860 1.00 0.00 C ATOM 0 H VAL A 67 3.966 1.251 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 67 1.409 1.641 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 67 4.067 0.692 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.022 0.546 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.108 2.216 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.564 1.332 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.711 -1.302 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.270 -0.602 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.638 -1.150 -2.805 1.00 0.00 H new ATOM 1057 N SER A 68 2.173 3.962 -2.293 1.00 0.00 N ATOM 1058 CA SER A 68 2.495 5.361 -2.012 1.00 0.00 C ATOM 1059 C SER A 68 1.299 5.965 -1.264 1.00 0.00 C ATOM 1060 O SER A 68 0.176 5.496 -1.488 1.00 0.00 O ATOM 1061 CB SER A 68 2.673 6.112 -3.339 1.00 0.00 C ATOM 1062 OG SER A 68 3.523 7.236 -3.227 1.00 0.00 O ATOM 0 H SER A 68 1.212 3.728 -2.042 1.00 0.00 H new ATOM 0 HA SER A 68 3.409 5.437 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.079 5.429 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.697 6.436 -3.701 1.00 0.00 H new ATOM 0 HG SER A 68 3.665 7.628 -4.114 1.00 0.00 H new ATOM 1068 N PRO A 69 1.493 6.980 -0.402 1.00 0.00 N ATOM 1069 CA PRO A 69 0.371 7.771 0.071 1.00 0.00 C ATOM 1070 C PRO A 69 -0.056 8.844 -0.944 1.00 0.00 C ATOM 1071 O PRO A 69 -1.172 8.772 -1.455 1.00 0.00 O ATOM 1072 CB PRO A 69 0.848 8.390 1.395 1.00 0.00 C ATOM 1073 CG PRO A 69 2.372 8.422 1.275 1.00 0.00 C ATOM 1074 CD PRO A 69 2.664 7.176 0.436 1.00 0.00 C ATOM 0 HA PRO A 69 -0.519 7.157 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.440 9.391 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.530 7.793 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.722 9.331 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.857 8.377 2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.560 7.313 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.839 6.308 1.072 1.00 0.00 H new ATOM 1082 N GLU A 70 0.841 9.751 -1.353 1.00 0.00 N ATOM 1083 CA GLU A 70 0.497 10.877 -2.230 1.00 0.00 C ATOM 1084 C GLU A 70 1.725 11.217 -3.078 1.00 0.00 C ATOM 1085 O GLU A 70 1.976 10.589 -4.108 1.00 0.00 O ATOM 1086 CB GLU A 70 0.039 12.094 -1.385 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.285 11.881 -0.641 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.759 13.120 0.126 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -0.937 13.818 0.775 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.983 13.376 0.134 1.00 0.00 O ATOM 0 H GLU A 70 1.825 9.724 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.331 10.609 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.817 12.331 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.060 12.960 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.053 11.591 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.171 11.052 0.058 1.00 0.00 H new ATOM 1097 N GLU A 71 2.615 12.062 -2.556 1.00 0.00 N ATOM 1098 CA GLU A 71 3.866 12.462 -3.201 1.00 0.00 C ATOM 1099 C GLU A 71 5.006 12.609 -2.187 1.00 0.00 C ATOM 1100 O GLU A 71 6.152 12.297 -2.516 1.00 0.00 O ATOM 1101 CB GLU A 71 3.666 13.739 -4.032 1.00 0.00 C ATOM 1102 CG GLU A 71 3.253 14.952 -3.189 1.00 0.00 C ATOM 1103 CD GLU A 71 3.055 16.229 -4.010 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.527 16.304 -5.170 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.402 17.159 -3.486 1.00 0.00 O ATOM 0 H GLU A 71 2.481 12.500 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 71 4.160 11.666 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.592 13.970 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.904 13.556 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.327 14.720 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.014 15.132 -2.430 1.00 0.00 H new ATOM 1112 N ILE A 72 4.717 13.026 -0.945 1.00 0.00 N ATOM 1113 CA ILE A 72 5.752 13.240 0.066 1.00 0.00 C ATOM 1114 C ILE A 72 6.469 11.929 0.401 1.00 0.00 C ATOM 1115 O ILE A 72 7.679 11.932 0.644 1.00 0.00 O ATOM 1116 CB ILE A 72 5.155 13.947 1.304 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.294 14.578 2.126 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.282 13.028 2.180 1.00 0.00 C ATOM 1119 CD1 ILE A 72 5.841 15.621 3.139 1.00 0.00 C ATOM 0 H ILE A 72 3.770 13.221 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 72 6.516 13.906 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 72 4.481 14.723 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.826 13.786 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.006 15.040 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.898 13.593 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.448 12.648 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.882 12.193 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.708 16.011 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.336 16.436 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.154 15.163 3.851 1.00 0.00 H new ATOM 1131 N GLY A 73 5.732 10.814 0.306 1.00 0.00 N ATOM 1132 CA GLY A 73 6.194 9.439 0.431 1.00 0.00 C ATOM 1133 C GLY A 73 7.387 9.120 -0.466 1.00 0.00 C ATOM 1134 O GLY A 73 8.158 8.222 -0.144 1.00 0.00 O ATOM 0 H GLY A 73 4.729 10.860 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.467 9.247 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.374 8.764 0.187 1.00 0.00 H new ATOM 1138 N ILE A 74 7.570 9.855 -1.564 1.00 0.00 N ATOM 1139 CA ILE A 74 8.623 9.637 -2.551 1.00 0.00 C ATOM 1140 C ILE A 74 9.512 10.882 -2.672 1.00 0.00 C ATOM 1141 O ILE A 74 10.519 10.853 -3.373 1.00 0.00 O ATOM 1142 CB ILE A 74 7.978 9.224 -3.893 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.897 8.130 -3.740 1.00 0.00 C ATOM 1144 CG2 ILE A 74 9.012 8.735 -4.921 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.386 6.786 -3.199 1.00 0.00 C ATOM 0 H ILE A 74 6.968 10.645 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 74 9.278 8.826 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 74 7.507 10.139 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.117 8.506 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.435 7.963 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.504 8.458 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.727 9.532 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.539 7.868 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.547 6.094 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.142 6.377 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.819 6.928 -2.209 1.00 0.00 H new ATOM 1157 N SER A 75 9.189 11.962 -1.964 1.00 0.00 N ATOM 1158 CA SER A 75 10.051 13.118 -1.880 1.00 0.00 C ATOM 1159 C SER A 75 11.140 12.811 -0.849 1.00 0.00 C ATOM 1160 O SER A 75 12.293 12.569 -1.207 1.00 0.00 O ATOM 1161 CB SER A 75 9.209 14.340 -1.511 1.00 0.00 C ATOM 1162 OG SER A 75 9.855 15.542 -1.878 1.00 0.00 O ATOM 0 H SER A 75 8.321 12.051 -1.436 1.00 0.00 H new ATOM 0 HA SER A 75 10.535 13.342 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.241 14.280 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.018 14.341 -0.438 1.00 0.00 H new ATOM 0 HG SER A 75 9.292 16.305 -1.631 1.00 0.00 H new ATOM 1168 N GLN A 76 10.783 12.777 0.441 1.00 0.00 N ATOM 1169 CA GLN A 76 11.752 12.784 1.522 1.00 0.00 C ATOM 1170 C GLN A 76 12.153 11.349 1.847 1.00 0.00 C ATOM 1171 O GLN A 76 13.336 11.050 2.009 1.00 0.00 O ATOM 1172 CB GLN A 76 11.203 13.570 2.728 1.00 0.00 C ATOM 1173 CG GLN A 76 9.871 13.080 3.321 1.00 0.00 C ATOM 1174 CD GLN A 76 9.544 13.798 4.623 1.00 0.00 C ATOM 1175 OE1 GLN A 76 9.052 14.923 4.609 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.800 13.189 5.769 1.00 0.00 N ATOM 0 H GLN A 76 9.813 12.744 0.755 1.00 0.00 H new ATOM 0 HA GLN A 76 12.661 13.305 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.955 13.552 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.080 14.611 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.069 13.244 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.924 12.006 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.209 12.254 5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.589 13.654 6.652 1.00 0.00 H new ATOM 1185 N PHE A 77 11.181 10.432 1.871 1.00 0.00 N ATOM 1186 CA PHE A 77 11.452 9.045 2.210 1.00 0.00 C ATOM 1187 C PHE A 77 12.209 8.320 1.100 1.00 0.00 C ATOM 1188 O PHE A 77 12.707 7.220 1.342 1.00 0.00 O ATOM 1189 CB PHE A 77 10.196 8.293 2.623 1.00 0.00 C ATOM 1190 CG PHE A 77 9.355 9.029 3.643 1.00 0.00 C ATOM 1191 CD1 PHE A 77 9.592 8.892 5.023 1.00 0.00 C ATOM 1192 CD2 PHE A 77 8.354 9.902 3.191 1.00 0.00 C ATOM 1193 CE1 PHE A 77 8.799 9.599 5.946 1.00 0.00 C ATOM 1194 CE2 PHE A 77 7.563 10.606 4.107 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.780 10.454 5.483 1.00 0.00 C ATOM 0 H PHE A 77 10.203 10.632 1.659 1.00 0.00 H new ATOM 0 HA PHE A 77 12.106 9.064 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.591 8.100 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.481 7.324 3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.382 8.245 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 77 8.193 10.032 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.971 9.486 7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.785 11.266 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.165 10.993 6.189 1.00 0.00 H new ATOM 1205 N ALA A 78 12.349 8.920 -0.092 1.00 0.00 N ATOM 1206 CA ALA A 78 13.119 8.296 -1.162 1.00 0.00 C ATOM 1207 C ALA A 78 14.561 7.970 -0.761 1.00 0.00 C ATOM 1208 O ALA A 78 15.119 7.019 -1.300 1.00 0.00 O ATOM 1209 CB ALA A 78 13.108 9.165 -2.410 1.00 0.00 C ATOM 0 H ALA A 78 11.942 9.824 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 78 12.628 7.346 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.688 8.681 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.081 9.302 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.547 10.136 -2.181 1.00 0.00 H new ATOM 1215 N ASP A 79 15.148 8.706 0.183 1.00 0.00 N ATOM 1216 CA ASP A 79 16.522 8.478 0.631 1.00 0.00 C ATOM 1217 C ASP A 79 16.602 7.209 1.482 1.00 0.00 C ATOM 1218 O ASP A 79 17.486 6.366 1.313 1.00 0.00 O ATOM 1219 CB ASP A 79 16.991 9.708 1.418 1.00 0.00 C ATOM 1220 CG ASP A 79 18.505 9.800 1.610 1.00 0.00 C ATOM 1221 OD1 ASP A 79 19.278 8.889 1.226 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.957 10.855 2.106 1.00 0.00 O ATOM 0 H ASP A 79 14.683 9.479 0.660 1.00 0.00 H new ATOM 0 HA ASP A 79 17.176 8.333 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.648 10.605 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.513 9.700 2.398 1.00 0.00 H new ATOM 1227 N ALA A 80 15.623 7.023 2.372 1.00 0.00 N ATOM 1228 CA ALA A 80 15.468 5.804 3.150 1.00 0.00 C ATOM 1229 C ALA A 80 15.155 4.609 2.237 1.00 0.00 C ATOM 1230 O ALA A 80 15.655 3.510 2.484 1.00 0.00 O ATOM 1231 CB ALA A 80 14.380 6.016 4.210 1.00 0.00 C ATOM 0 H ALA A 80 14.911 7.726 2.570 1.00 0.00 H new ATOM 0 HA ALA A 80 16.404 5.574 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.260 5.105 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.668 6.835 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.437 6.259 3.720 1.00 0.00 H new ATOM 1237 N ILE A 81 14.346 4.805 1.187 1.00 0.00 N ATOM 1238 CA ILE A 81 14.067 3.796 0.162 1.00 0.00 C ATOM 1239 C ILE A 81 15.383 3.399 -0.516 1.00 0.00 C ATOM 1240 O ILE A 81 15.681 2.205 -0.605 1.00 0.00 O ATOM 1241 CB ILE A 81 12.991 4.305 -0.835 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.615 4.431 -0.140 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.861 3.385 -2.059 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.534 5.103 -0.999 1.00 0.00 C ATOM 0 H ILE A 81 13.859 5.687 1.025 1.00 0.00 H new ATOM 0 HA ILE A 81 13.646 2.900 0.617 1.00 0.00 H new ATOM 0 HB ILE A 81 13.318 5.287 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.271 3.436 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.737 5.001 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 81 12.098 3.778 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.816 3.339 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.577 2.384 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.601 5.152 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.853 6.112 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.380 4.523 -1.909 1.00 0.00 H new ATOM 1256 N ALA A 82 16.166 4.385 -0.967 1.00 0.00 N ATOM 1257 CA ALA A 82 17.395 4.191 -1.720 1.00 0.00 C ATOM 1258 C ALA A 82 18.336 3.232 -1.008 1.00 0.00 C ATOM 1259 O ALA A 82 18.868 2.307 -1.618 1.00 0.00 O ATOM 1260 CB ALA A 82 18.084 5.538 -1.940 1.00 0.00 C ATOM 0 H ALA A 82 15.949 5.369 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 82 17.138 3.752 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.004 5.388 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.420 6.199 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.319 5.988 -0.976 1.00 0.00 H new ATOM 1266 N GLN A 83 18.531 3.451 0.289 1.00 0.00 N ATOM 1267 CA GLN A 83 19.418 2.668 1.134 1.00 0.00 C ATOM 1268 C GLN A 83 19.041 1.184 1.184 1.00 0.00 C ATOM 1269 O GLN A 83 19.935 0.352 1.363 1.00 0.00 O ATOM 1270 CB GLN A 83 19.364 3.268 2.533 1.00 0.00 C ATOM 1271 CG GLN A 83 20.105 4.603 2.614 1.00 0.00 C ATOM 1272 CD GLN A 83 19.730 5.346 3.887 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.006 4.897 4.993 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.064 6.481 3.767 1.00 0.00 N ATOM 0 H GLN A 83 18.060 4.202 0.794 1.00 0.00 H new ATOM 0 HA GLN A 83 20.424 2.709 0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.324 3.413 2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.801 2.567 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.181 4.430 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.862 5.214 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.840 6.845 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.774 6.993 4.600 1.00 0.00 H new ATOM 1283 N ALA A 84 17.758 0.827 1.043 1.00 0.00 N ATOM 1284 CA ALA A 84 17.342 -0.574 1.002 1.00 0.00 C ATOM 1285 C ALA A 84 17.722 -1.241 -0.334 1.00 0.00 C ATOM 1286 O ALA A 84 17.721 -2.467 -0.445 1.00 0.00 O ATOM 1287 CB ALA A 84 15.830 -0.684 1.241 1.00 0.00 C ATOM 0 H ALA A 84 16.991 1.494 0.955 1.00 0.00 H new ATOM 0 HA ALA A 84 17.870 -1.102 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.532 -1.732 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.585 -0.267 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.298 -0.131 0.467 1.00 0.00 H new ATOM 1293 N GLY A 85 18.051 -0.443 -1.353 1.00 0.00 N ATOM 1294 CA GLY A 85 18.407 -0.890 -2.691 1.00 0.00 C ATOM 1295 C GLY A 85 17.311 -0.635 -3.714 1.00 0.00 C ATOM 1296 O GLY A 85 17.572 -0.712 -4.918 1.00 0.00 O ATOM 0 H GLY A 85 18.076 0.572 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 85 19.318 -0.381 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.631 -1.957 -2.664 1.00 0.00 H new ATOM 1300 N TYR A 86 16.098 -0.336 -3.246 1.00 0.00 N ATOM 1301 CA TYR A 86 14.975 0.069 -4.072 1.00 0.00 C ATOM 1302 C TYR A 86 15.243 1.503 -4.527 1.00 0.00 C ATOM 1303 O TYR A 86 16.021 2.201 -3.885 1.00 0.00 O ATOM 1304 CB TYR A 86 13.692 0.009 -3.228 1.00 0.00 C ATOM 1305 CG TYR A 86 13.394 -1.316 -2.546 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.356 -2.498 -3.306 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.180 -1.381 -1.150 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.183 -3.738 -2.673 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.028 -2.621 -0.517 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.062 -3.808 -1.273 1.00 0.00 C ATOM 1311 OH TYR A 86 13.037 -5.014 -0.652 1.00 0.00 O ATOM 0 H TYR A 86 15.870 -0.372 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 86 14.855 -0.584 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.750 0.782 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.848 0.260 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.460 -2.451 -4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.134 -0.471 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.143 -4.642 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.885 -2.667 0.552 1.00 0.00 H new ATOM 0 HH TYR A 86 13.600 -5.647 -1.144 1.00 0.00 H new ATOM 1321 N SER A 87 14.575 1.996 -5.572 1.00 0.00 N ATOM 1322 CA SER A 87 14.796 3.371 -6.036 1.00 0.00 C ATOM 1323 C SER A 87 13.508 4.174 -6.212 1.00 0.00 C ATOM 1324 O SER A 87 13.552 5.340 -6.613 1.00 0.00 O ATOM 1325 CB SER A 87 15.674 3.333 -7.292 1.00 0.00 C ATOM 1326 OG SER A 87 16.474 4.491 -7.401 1.00 0.00 O ATOM 0 H SER A 87 13.884 1.472 -6.109 1.00 0.00 H new ATOM 0 HA SER A 87 15.326 3.920 -5.257 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.313 2.450 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.042 3.242 -8.176 1.00 0.00 H new ATOM 0 HG SER A 87 17.023 4.435 -8.211 1.00 0.00 H new ATOM 1332 N ALA A 88 12.382 3.568 -5.828 1.00 0.00 N ATOM 1333 CA ALA A 88 11.027 4.032 -6.100 1.00 0.00 C ATOM 1334 C ALA A 88 10.782 4.226 -7.612 1.00 0.00 C ATOM 1335 O ALA A 88 11.429 3.587 -8.449 1.00 0.00 O ATOM 1336 CB ALA A 88 10.707 5.268 -5.234 1.00 0.00 C ATOM 0 H ALA A 88 12.395 2.699 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 88 10.314 3.262 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.693 5.607 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.790 5.005 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.412 6.067 -5.465 1.00 0.00 H new ATOM 1342 N THR A 89 9.774 5.032 -7.931 1.00 0.00 N ATOM 1343 CA THR A 89 9.518 5.737 -9.182 1.00 0.00 C ATOM 1344 C THR A 89 9.515 7.228 -8.800 1.00 0.00 C ATOM 1345 O THR A 89 9.972 7.568 -7.706 1.00 0.00 O ATOM 1346 CB THR A 89 8.200 5.260 -9.832 1.00 0.00 C ATOM 1347 OG1 THR A 89 7.080 5.671 -9.077 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.123 3.740 -9.996 1.00 0.00 C ATOM 0 H THR A 89 9.041 5.227 -7.249 1.00 0.00 H new ATOM 0 HA THR A 89 10.273 5.541 -9.943 1.00 0.00 H new ATOM 0 HB THR A 89 8.189 5.718 -10.821 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.059 5.180 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.173 3.472 -10.458 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.943 3.400 -10.629 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.198 3.264 -9.018 1.00 0.00 H new ATOM 1356 N LYS A 90 9.005 8.135 -9.642 1.00 0.00 N ATOM 1357 CA LYS A 90 8.840 9.519 -9.196 1.00 0.00 C ATOM 1358 C LYS A 90 7.726 9.686 -8.166 1.00 0.00 C ATOM 1359 O LYS A 90 7.820 10.596 -7.344 1.00 0.00 O ATOM 1360 CB LYS A 90 8.590 10.453 -10.379 1.00 0.00 C ATOM 1361 CG LYS A 90 9.905 10.837 -11.065 1.00 0.00 C ATOM 1362 CD LYS A 90 9.764 12.204 -11.737 1.00 0.00 C ATOM 1363 CE LYS A 90 11.126 12.655 -12.247 1.00 0.00 C ATOM 1364 NZ LYS A 90 11.188 14.121 -12.383 1.00 0.00 N ATOM 0 H LYS A 90 8.710 7.945 -10.600 1.00 0.00 H new ATOM 0 HA LYS A 90 9.778 9.789 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.930 9.967 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.079 11.352 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.712 10.864 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.172 10.084 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.055 12.145 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.369 12.932 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.903 12.318 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.328 12.189 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.128 14.398 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.461 14.438 -13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.019 14.563 -11.457 1.00 0.00 H new ATOM 1378 N GLY A 91 6.675 8.866 -8.231 1.00 0.00 N ATOM 1379 CA GLY A 91 5.410 9.161 -7.569 1.00 0.00 C ATOM 1380 C GLY A 91 4.878 8.034 -6.685 1.00 0.00 C ATOM 1381 O GLY A 91 4.091 8.275 -5.763 1.00 0.00 O ATOM 0 H GLY A 91 6.680 7.984 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.534 10.056 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.663 9.393 -8.328 1.00 0.00 H new ATOM 1385 N LEU A 92 5.330 6.801 -6.901 1.00 0.00 N ATOM 1386 CA LEU A 92 5.076 5.678 -6.004 1.00 0.00 C ATOM 1387 C LEU A 92 6.338 4.859 -5.828 1.00 0.00 C ATOM 1388 O LEU A 92 7.302 5.042 -6.573 1.00 0.00 O ATOM 1389 CB LEU A 92 3.855 4.867 -6.480 1.00 0.00 C ATOM 1390 CG LEU A 92 3.951 4.113 -7.823 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.721 2.794 -7.709 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.523 3.889 -8.332 1.00 0.00 C ATOM 0 H LEU A 92 5.891 6.551 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 92 4.812 6.044 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.620 4.137 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.007 5.550 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 92 4.520 4.714 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.756 2.308 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.736 2.994 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.219 2.140 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.555 3.357 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.966 3.299 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.031 4.852 -8.471 1.00 0.00 H new ATOM 1404 N PHE A 93 6.362 3.948 -4.865 1.00 0.00 N ATOM 1405 CA PHE A 93 7.452 2.999 -4.701 1.00 0.00 C ATOM 1406 C PHE A 93 6.916 1.607 -5.014 1.00 0.00 C ATOM 1407 O PHE A 93 5.725 1.337 -4.846 1.00 0.00 O ATOM 1408 CB PHE A 93 8.102 3.160 -3.320 1.00 0.00 C ATOM 1409 CG PHE A 93 7.363 2.542 -2.158 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.447 1.155 -1.948 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.631 3.345 -1.263 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.802 0.569 -0.855 1.00 0.00 C ATOM 1413 CE2 PHE A 93 5.982 2.755 -0.167 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.069 1.368 0.034 1.00 0.00 C ATOM 0 H PHE A 93 5.621 3.847 -4.172 1.00 0.00 H new ATOM 0 HA PHE A 93 8.267 3.187 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.101 2.727 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.224 4.225 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.012 0.540 -2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.569 4.412 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.868 -0.497 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.417 3.367 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.569 0.915 0.877 1.00 0.00 H new ATOM 1424 N ARG A 94 7.771 0.717 -5.513 1.00 0.00 N ATOM 1425 CA ARG A 94 7.339 -0.587 -6.002 1.00 0.00 C ATOM 1426 C ARG A 94 8.363 -1.628 -5.595 1.00 0.00 C ATOM 1427 O ARG A 94 9.565 -1.336 -5.585 1.00 0.00 O ATOM 1428 CB ARG A 94 7.064 -0.512 -7.523 1.00 0.00 C ATOM 1429 CG ARG A 94 8.285 -0.576 -8.453 1.00 0.00 C ATOM 1430 CD ARG A 94 8.619 -2.031 -8.816 1.00 0.00 C ATOM 1431 NE ARG A 94 9.820 -2.133 -9.649 1.00 0.00 N ATOM 1432 CZ ARG A 94 10.590 -3.216 -9.799 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.299 -4.372 -9.209 1.00 0.00 N ATOM 1434 NH2 ARG A 94 11.670 -3.133 -10.553 1.00 0.00 N ATOM 0 H ARG A 94 8.775 0.879 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 94 6.394 -0.892 -5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.393 -1.329 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.531 0.417 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.086 -0.006 -9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.143 -0.112 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.763 -2.608 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.775 -2.475 -9.343 1.00 0.00 H new ATOM 0 HE ARG A 94 10.095 -1.297 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.468 -4.450 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.907 -5.180 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.906 -2.252 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.269 -3.949 -10.678 1.00 0.00 H new ATOM 1448 N ILE A 95 7.911 -2.839 -5.293 1.00 0.00 N ATOM 1449 CA ILE A 95 8.783 -3.913 -4.825 1.00 0.00 C ATOM 1450 C ILE A 95 8.396 -5.163 -5.635 1.00 0.00 C ATOM 1451 O ILE A 95 7.204 -5.336 -5.888 1.00 0.00 O ATOM 1452 CB ILE A 95 8.559 -4.132 -3.301 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.363 -2.872 -2.403 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.666 -5.059 -2.790 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.477 -2.428 -1.451 1.00 0.00 C ATOM 0 H ILE A 95 6.929 -3.106 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 95 9.839 -3.682 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 95 7.574 -4.589 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.149 -2.033 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.470 -3.039 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.533 -5.230 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.616 -6.011 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.637 -4.597 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.160 -1.536 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.688 -3.227 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.377 -2.205 -2.023 1.00 0.00 H new ATOM 1467 N PRO A 96 9.318 -6.064 -6.032 1.00 0.00 N ATOM 1468 CA PRO A 96 8.935 -7.338 -6.642 1.00 0.00 C ATOM 1469 C PRO A 96 8.365 -8.292 -5.586 1.00 0.00 C ATOM 1470 O PRO A 96 8.610 -8.122 -4.388 1.00 0.00 O ATOM 1471 CB PRO A 96 10.219 -7.888 -7.269 1.00 0.00 C ATOM 1472 CG PRO A 96 11.318 -7.323 -6.373 1.00 0.00 C ATOM 1473 CD PRO A 96 10.770 -5.952 -5.968 1.00 0.00 C ATOM 0 HA PRO A 96 8.152 -7.219 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.228 -8.978 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.334 -7.560 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.496 -7.958 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.266 -7.237 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.097 -5.683 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.131 -5.174 -6.640 1.00 0.00 H new ATOM 1481 N TRP A 97 7.632 -9.324 -6.013 1.00 0.00 N ATOM 1482 CA TRP A 97 7.036 -10.300 -5.094 1.00 0.00 C ATOM 1483 C TRP A 97 8.058 -11.162 -4.329 1.00 0.00 C ATOM 1484 O TRP A 97 7.703 -11.803 -3.340 1.00 0.00 O ATOM 1485 CB TRP A 97 6.052 -11.181 -5.858 1.00 0.00 C ATOM 1486 CG TRP A 97 4.963 -10.447 -6.575 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.713 -10.474 -7.904 1.00 0.00 C ATOM 1488 CD2 TRP A 97 3.916 -9.628 -5.988 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.612 -9.684 -8.183 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.101 -9.116 -7.038 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.553 -9.302 -4.667 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.007 -8.278 -6.795 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.444 -8.482 -4.407 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.686 -7.957 -5.467 1.00 0.00 C ATOM 0 H TRP A 97 7.436 -9.507 -6.997 1.00 0.00 H new ATOM 0 HA TRP A 97 6.518 -9.725 -4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.608 -11.774 -6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.596 -11.881 -5.158 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.285 -11.027 -8.635 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.228 -9.541 -9.117 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.135 -9.688 -3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.421 -7.886 -7.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.172 -8.253 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.852 -7.303 -5.259 1.00 0.00 H new ATOM 1505 N ASN A 98 9.320 -11.186 -4.767 1.00 0.00 N ATOM 1506 CA ASN A 98 10.425 -11.846 -4.072 1.00 0.00 C ATOM 1507 C ASN A 98 10.677 -11.198 -2.716 1.00 0.00 C ATOM 1508 O ASN A 98 11.031 -11.868 -1.745 1.00 0.00 O ATOM 1509 CB ASN A 98 11.713 -11.712 -4.901 1.00 0.00 C ATOM 1510 CG ASN A 98 12.924 -12.232 -4.132 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.122 -13.437 -4.028 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.756 -11.369 -3.574 1.00 0.00 N ATOM 0 H ASN A 98 9.607 -10.736 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 98 10.156 -12.894 -3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.607 -12.266 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.870 -10.667 -5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.567 -11.705 -3.054 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.587 -10.367 -3.663 1.00 0.00 H new ATOM 1519 N ASP A 99 10.563 -9.875 -2.681 1.00 0.00 N ATOM 1520 CA ASP A 99 11.211 -9.035 -1.689 1.00 0.00 C ATOM 1521 C ASP A 99 10.239 -8.719 -0.551 1.00 0.00 C ATOM 1522 O ASP A 99 9.015 -8.772 -0.742 1.00 0.00 O ATOM 1523 CB ASP A 99 11.664 -7.738 -2.375 1.00 0.00 C ATOM 1524 CG ASP A 99 13.114 -7.756 -2.837 1.00 0.00 C ATOM 1525 OD1 ASP A 99 13.471 -8.592 -3.696 1.00 0.00 O ATOM 1526 OD2 ASP A 99 13.878 -6.873 -2.385 1.00 0.00 O ATOM 0 H ASP A 99 10.007 -9.350 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 99 12.072 -9.553 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.022 -7.551 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.524 -6.906 -1.685 1.00 0.00 H new ATOM 1531 N PRO A 100 10.742 -8.347 0.637 1.00 0.00 N ATOM 1532 CA PRO A 100 9.929 -7.764 1.690 1.00 0.00 C ATOM 1533 C PRO A 100 9.576 -6.335 1.284 1.00 0.00 C ATOM 1534 O PRO A 100 10.456 -5.530 0.993 1.00 0.00 O ATOM 1535 CB PRO A 100 10.804 -7.795 2.939 1.00 0.00 C ATOM 1536 CG PRO A 100 12.227 -7.688 2.393 1.00 0.00 C ATOM 1537 CD PRO A 100 12.149 -8.344 1.017 1.00 0.00 C ATOM 0 HA PRO A 100 8.995 -8.296 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.571 -6.969 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.661 -8.716 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.549 -6.649 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.941 -8.200 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.746 -7.792 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.544 -9.359 1.049 1.00 0.00 H new ATOM 1545 N VAL A 101 8.293 -5.986 1.275 1.00 0.00 N ATOM 1546 CA VAL A 101 7.824 -4.746 0.655 1.00 0.00 C ATOM 1547 C VAL A 101 8.050 -3.485 1.524 1.00 0.00 C ATOM 1548 O VAL A 101 7.422 -2.443 1.311 1.00 0.00 O ATOM 1549 CB VAL A 101 6.400 -4.939 0.121 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.235 -6.204 -0.726 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.422 -4.953 1.253 1.00 0.00 C ATOM 0 H VAL A 101 7.552 -6.548 1.693 1.00 0.00 H new ATOM 0 HA VAL A 101 8.452 -4.531 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 101 6.200 -4.093 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.204 -6.279 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.903 -6.156 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.480 -7.079 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.414 -5.091 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.663 -5.771 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.476 -4.007 1.792 1.00 0.00 H new ATOM 1561 N HIS A 102 8.942 -3.595 2.509 1.00 0.00 N ATOM 1562 CA HIS A 102 9.404 -2.579 3.442 1.00 0.00 C ATOM 1563 C HIS A 102 8.261 -1.825 4.143 1.00 0.00 C ATOM 1564 O HIS A 102 7.906 -0.695 3.799 1.00 0.00 O ATOM 1565 CB HIS A 102 10.543 -1.738 2.797 1.00 0.00 C ATOM 1566 CG HIS A 102 11.910 -2.026 3.376 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.472 -1.334 4.417 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.722 -3.102 3.122 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.496 -2.046 4.887 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.714 -3.121 4.115 1.00 0.00 N ATOM 0 H HIS A 102 9.401 -4.488 2.687 1.00 0.00 H new ATOM 0 HA HIS A 102 9.875 -3.055 4.302 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.564 -1.932 1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.319 -0.679 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.617 -3.805 2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.070 -1.793 5.766 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.454 -3.814 4.227 1.00 0.00 H new ATOM 1578 N TYR A 103 7.684 -2.503 5.148 1.00 0.00 N ATOM 1579 CA TYR A 103 6.558 -2.066 5.969 1.00 0.00 C ATOM 1580 C TYR A 103 6.944 -0.919 6.885 1.00 0.00 C ATOM 1581 O TYR A 103 6.223 0.068 6.967 1.00 0.00 O ATOM 1582 CB TYR A 103 6.016 -3.221 6.836 1.00 0.00 C ATOM 1583 CG TYR A 103 5.154 -4.264 6.153 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.036 -4.322 4.752 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.419 -5.161 6.950 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.145 -5.237 4.170 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.580 -6.123 6.367 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.447 -6.169 4.965 1.00 0.00 C ATOM 1589 OH TYR A 103 2.698 -7.144 4.390 1.00 0.00 O ATOM 0 H TYR A 103 8.017 -3.428 5.421 1.00 0.00 H new ATOM 0 HA TYR A 103 5.785 -1.731 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.867 -3.731 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.436 -2.787 7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.627 -3.667 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.502 -5.108 8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.992 -5.227 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.040 -6.823 6.988 1.00 0.00 H new ATOM 0 HH TYR A 103 3.130 -8.013 4.527 1.00 0.00 H new ATOM 1599 N GLU A 104 8.054 -1.049 7.600 1.00 0.00 N ATOM 1600 CA GLU A 104 8.568 -0.027 8.496 1.00 0.00 C ATOM 1601 C GLU A 104 8.846 1.281 7.750 1.00 0.00 C ATOM 1602 O GLU A 104 8.546 2.356 8.261 1.00 0.00 O ATOM 1603 CB GLU A 104 9.763 -0.625 9.243 1.00 0.00 C ATOM 1604 CG GLU A 104 10.748 0.344 9.873 1.00 0.00 C ATOM 1605 CD GLU A 104 11.602 -0.458 10.852 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.442 -1.303 10.434 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.345 -0.336 12.069 1.00 0.00 O ATOM 0 H GLU A 104 8.633 -1.888 7.571 1.00 0.00 H new ATOM 0 HA GLU A 104 7.830 0.264 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.378 -1.274 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.312 -1.259 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.372 0.810 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.222 1.147 10.389 1.00 0.00 H new ATOM 1614 N LEU A 105 9.317 1.206 6.509 1.00 0.00 N ATOM 1615 CA LEU A 105 9.511 2.368 5.657 1.00 0.00 C ATOM 1616 C LEU A 105 8.163 3.018 5.341 1.00 0.00 C ATOM 1617 O LEU A 105 7.977 4.227 5.496 1.00 0.00 O ATOM 1618 CB LEU A 105 10.243 1.902 4.382 1.00 0.00 C ATOM 1619 CG LEU A 105 11.423 2.799 3.999 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.299 2.077 2.978 1.00 0.00 C ATOM 1621 CD2 LEU A 105 10.948 4.148 3.464 1.00 0.00 C ATOM 0 H LEU A 105 9.577 0.326 6.064 1.00 0.00 H new ATOM 0 HA LEU A 105 10.115 3.125 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.603 0.884 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.534 1.873 3.555 1.00 0.00 H new ATOM 0 HG LEU A 105 12.013 3.003 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.140 2.715 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.673 1.149 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.710 1.851 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.811 4.760 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.332 3.992 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.362 4.657 4.229 1.00 0.00 H new ATOM 1633 N LEU A 106 7.210 2.202 4.888 1.00 0.00 N ATOM 1634 CA LEU A 106 5.908 2.663 4.429 1.00 0.00 C ATOM 1635 C LEU A 106 5.014 3.153 5.575 1.00 0.00 C ATOM 1636 O LEU A 106 4.244 4.089 5.364 1.00 0.00 O ATOM 1637 CB LEU A 106 5.331 1.653 3.429 1.00 0.00 C ATOM 1638 CG LEU A 106 4.315 0.624 3.938 1.00 0.00 C ATOM 1639 CD1 LEU A 106 2.916 1.226 3.814 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.378 -0.664 3.105 1.00 0.00 C ATOM 0 H LEU A 106 7.327 1.190 4.831 1.00 0.00 H new ATOM 0 HA LEU A 106 5.998 3.584 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.859 2.216 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.166 1.107 2.990 1.00 0.00 H new ATOM 0 HG LEU A 106 4.545 0.379 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.178 0.508 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.857 2.135 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.714 1.465 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.648 -1.379 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.153 -0.435 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.377 -1.094 3.175 1.00 0.00 H new ATOM 1652 N LYS A 107 5.155 2.624 6.797 1.00 0.00 N ATOM 1653 CA LYS A 107 4.466 3.142 7.974 1.00 0.00 C ATOM 1654 C LYS A 107 4.936 4.567 8.281 1.00 0.00 C ATOM 1655 O LYS A 107 4.082 5.389 8.580 1.00 0.00 O ATOM 1656 CB LYS A 107 4.568 2.163 9.149 1.00 0.00 C ATOM 1657 CG LYS A 107 5.711 2.358 10.135 1.00 0.00 C ATOM 1658 CD LYS A 107 6.051 1.051 10.862 1.00 0.00 C ATOM 1659 CE LYS A 107 5.287 0.912 12.171 1.00 0.00 C ATOM 1660 NZ LYS A 107 6.094 1.425 13.301 1.00 0.00 N ATOM 0 H LYS A 107 5.754 1.822 6.992 1.00 0.00 H new ATOM 0 HA LYS A 107 3.398 3.222 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.633 2.210 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.646 1.155 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.592 2.722 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.439 3.121 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.819 0.205 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.122 1.015 11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.347 1.460 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.035 -0.135 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.557 1.322 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.980 0.884 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.313 2.429 13.144 1.00 0.00 H new ATOM 1674 N GLN A 108 6.233 4.900 8.142 1.00 0.00 N ATOM 1675 CA GLN A 108 6.703 6.257 8.450 1.00 0.00 C ATOM 1676 C GLN A 108 5.958 7.284 7.603 1.00 0.00 C ATOM 1677 O GLN A 108 5.471 8.287 8.126 1.00 0.00 O ATOM 1678 CB GLN A 108 8.218 6.454 8.237 1.00 0.00 C ATOM 1679 CG GLN A 108 9.116 5.628 9.167 1.00 0.00 C ATOM 1680 CD GLN A 108 10.453 6.315 9.464 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.521 7.435 9.970 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.565 5.700 9.110 1.00 0.00 N ATOM 0 H GLN A 108 6.960 4.259 7.824 1.00 0.00 H new ATOM 0 HA GLN A 108 6.499 6.401 9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.460 6.202 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.454 7.510 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.590 5.445 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.305 4.655 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.523 4.772 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.467 6.153 9.257 1.00 0.00 H new ATOM 1691 N MET A 109 5.891 7.047 6.291 1.00 0.00 N ATOM 1692 CA MET A 109 5.256 7.986 5.382 1.00 0.00 C ATOM 1693 C MET A 109 3.745 8.021 5.592 1.00 0.00 C ATOM 1694 O MET A 109 3.186 9.109 5.653 1.00 0.00 O ATOM 1695 CB MET A 109 5.669 7.723 3.929 1.00 0.00 C ATOM 1696 CG MET A 109 5.350 6.326 3.398 1.00 0.00 C ATOM 1697 SD MET A 109 6.056 5.967 1.767 1.00 0.00 S ATOM 1698 CE MET A 109 7.801 5.701 2.212 1.00 0.00 C ATOM 0 H MET A 109 6.269 6.213 5.841 1.00 0.00 H new ATOM 0 HA MET A 109 5.614 8.989 5.615 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.176 8.457 3.291 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.742 7.891 3.838 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.717 5.587 4.110 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.268 6.208 3.346 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.442 6.138 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.008 6.173 3.172 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.999 4.632 2.284 1.00 0.00 H new ATOM 1708 N ILE A 110 3.067 6.875 5.720 1.00 0.00 N ATOM 1709 CA ILE A 110 1.609 6.874 5.821 1.00 0.00 C ATOM 1710 C ILE A 110 1.171 7.449 7.184 1.00 0.00 C ATOM 1711 O ILE A 110 0.322 8.335 7.216 1.00 0.00 O ATOM 1712 CB ILE A 110 1.068 5.472 5.448 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.379 5.440 4.931 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.254 4.427 6.550 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.422 6.015 5.881 1.00 0.00 C ATOM 0 H ILE A 110 3.499 5.952 5.755 1.00 0.00 H new ATOM 0 HA ILE A 110 1.149 7.546 5.097 1.00 0.00 H new ATOM 0 HB ILE A 110 1.703 5.200 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.424 5.991 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.645 4.407 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.851 3.471 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.316 4.316 6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.728 4.749 7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.409 5.946 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.414 5.451 6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.190 7.060 6.087 1.00 0.00 H new ATOM 1727 N GLU A 111 1.775 7.027 8.303 1.00 0.00 N ATOM 1728 CA GLU A 111 1.431 7.541 9.632 1.00 0.00 C ATOM 1729 C GLU A 111 1.726 9.035 9.762 1.00 0.00 C ATOM 1730 O GLU A 111 1.018 9.728 10.490 1.00 0.00 O ATOM 1731 CB GLU A 111 2.157 6.777 10.751 1.00 0.00 C ATOM 1732 CG GLU A 111 1.637 5.352 10.947 1.00 0.00 C ATOM 1733 CD GLU A 111 2.108 4.738 12.271 1.00 0.00 C ATOM 1734 OE1 GLU A 111 1.667 5.247 13.330 1.00 0.00 O ATOM 1735 OE2 GLU A 111 2.895 3.755 12.269 1.00 0.00 O ATOM 0 H GLU A 111 2.513 6.323 8.311 1.00 0.00 H new ATOM 0 HA GLU A 111 0.358 7.386 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.222 6.739 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.050 7.327 11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.547 5.358 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.974 4.728 10.119 1.00 0.00 H new ATOM 1742 N PHE A 112 2.745 9.538 9.059 1.00 0.00 N ATOM 1743 CA PHE A 112 2.965 10.970 8.944 1.00 0.00 C ATOM 1744 C PHE A 112 1.857 11.611 8.125 1.00 0.00 C ATOM 1745 O PHE A 112 1.257 12.577 8.571 1.00 0.00 O ATOM 1746 CB PHE A 112 4.323 11.253 8.315 1.00 0.00 C ATOM 1747 CG PHE A 112 4.526 12.710 7.952 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.077 13.591 8.896 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.100 13.201 6.701 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.179 14.956 8.593 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.195 14.571 6.409 1.00 0.00 C ATOM 1752 CZ PHE A 112 4.729 15.453 7.360 1.00 0.00 C ATOM 0 H PHE A 112 3.429 8.967 8.562 1.00 0.00 H new ATOM 0 HA PHE A 112 2.952 11.403 9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.107 10.946 9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.434 10.644 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.420 13.219 9.850 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.699 12.521 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.609 15.633 9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.857 14.945 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.794 16.509 7.144 1.00 0.00 H new ATOM 1762 N ASN A 113 1.595 11.111 6.917 1.00 0.00 N ATOM 1763 CA ASN A 113 0.704 11.790 5.984 1.00 0.00 C ATOM 1764 C ASN A 113 -0.740 11.768 6.507 1.00 0.00 C ATOM 1765 O ASN A 113 -1.541 12.586 6.069 1.00 0.00 O ATOM 1766 CB ASN A 113 0.864 11.158 4.592 1.00 0.00 C ATOM 1767 CG ASN A 113 0.568 12.071 3.402 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.193 11.893 2.363 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.355 13.016 3.475 1.00 0.00 N ATOM 0 H ASN A 113 1.988 10.238 6.564 1.00 0.00 H new ATOM 0 HA ASN A 113 0.970 12.843 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.886 10.791 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.207 10.291 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.550 13.602 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.871 13.159 4.343 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.061 10.876 7.460 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.203 10.992 8.367 1.00 0.00 C ATOM 1778 C ILE A 114 -2.031 12.251 9.218 1.00 0.00 C ATOM 1779 O ILE A 114 -2.775 13.203 9.023 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.374 9.725 9.249 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.849 8.535 8.394 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.383 9.973 10.389 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -2.735 7.161 9.067 1.00 0.00 C ATOM 0 H ILE A 114 -0.513 10.031 7.621 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.117 11.076 7.778 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.403 9.493 9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.890 8.700 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.271 8.518 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.482 9.069 10.990 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.028 10.790 11.018 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.353 10.236 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.094 6.391 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.693 6.965 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.337 7.150 9.976 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.094 12.266 10.175 1.00 0.00 N ATOM 1796 CA GLN A 115 -1.051 13.291 11.227 1.00 0.00 C ATOM 1797 C GLN A 115 -0.745 14.695 10.695 1.00 0.00 C ATOM 1798 O GLN A 115 -0.914 15.696 11.392 1.00 0.00 O ATOM 1799 CB GLN A 115 -0.076 12.864 12.332 1.00 0.00 C ATOM 1800 CG GLN A 115 1.357 12.766 11.833 1.00 0.00 C ATOM 1801 CD GLN A 115 2.300 12.257 12.905 1.00 0.00 C ATOM 1802 OE1 GLN A 115 2.959 13.035 13.594 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.394 10.946 13.050 1.00 0.00 N ATOM 0 H GLN A 115 -0.349 11.573 10.242 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.052 13.365 11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.124 13.580 13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.385 11.899 12.733 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.396 12.100 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.690 13.747 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.834 10.327 12.464 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.026 10.554 13.748 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.295 14.770 9.450 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.035 15.983 8.689 1.00 0.00 C ATOM 1814 C ASP A 116 -1.308 16.640 8.152 1.00 0.00 C ATOM 1815 O ASP A 116 -1.281 17.794 7.716 1.00 0.00 O ATOM 1816 CB ASP A 116 0.919 15.601 7.547 1.00 0.00 C ATOM 1817 CG ASP A 116 1.483 16.780 6.765 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.743 17.852 7.358 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.713 16.637 5.546 1.00 0.00 O ATOM 0 H ASP A 116 -0.089 13.930 8.910 1.00 0.00 H new ATOM 0 HA ASP A 116 0.412 16.731 9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.748 15.028 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.391 14.944 6.856 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.430 15.924 8.219 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.776 16.367 7.902 1.00 0.00 C ATOM 1826 C LYS A 117 -4.735 16.026 9.045 1.00 0.00 C ATOM 1827 O LYS A 117 -5.931 16.294 8.917 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.192 15.704 6.573 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.391 16.205 5.358 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.754 17.655 4.985 1.00 0.00 C ATOM 1831 CE LYS A 117 -2.591 18.397 4.321 1.00 0.00 C ATOM 1832 NZ LYS A 117 -2.526 18.203 2.856 1.00 0.00 N ATOM 0 H LYS A 117 -2.414 14.949 8.519 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.811 17.450 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.067 14.625 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.252 15.889 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.325 16.143 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.580 15.553 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.610 17.650 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.059 18.193 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.681 19.462 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.655 18.060 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.717 18.732 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.410 17.191 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.405 18.549 2.421 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.209 15.476 10.145 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.808 15.297 11.445 1.00 0.00 C ATOM 1848 C GLU A 118 -6.258 14.794 11.428 1.00 0.00 C ATOM 1849 O GLU A 118 -6.461 13.614 11.051 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.510 16.544 12.272 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.455 16.202 13.763 1.00 0.00 C ATOM 1852 CD GLU A 118 -4.059 17.400 14.642 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.403 18.356 14.163 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -4.347 17.383 15.864 1.00 0.00 O ATOM 0 H GLU A 118 -3.256 15.113 10.130 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.347 14.451 11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.560 16.977 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.278 17.297 12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.430 15.832 14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.741 15.393 13.918 1.00 0.00 H new