USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 987 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 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -3.1! C(o=-10!,f=-8.2!) USER MOD Set 2.2: A 45 GLN : amide:sc= -5.06! C(o=-8.2!,f=-15!) USER MOD Single : A 2 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 0.251 F(o=-1.9!,f=0.25) USER MOD Single : A 11 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0.279 (180deg=-0.00645) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -155:sc= -0.461 (180deg=-0.81) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HE2:sc= -0.353 F(o=-1.8,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= -0.394 (180deg=-0.731) USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.000863 USER MOD Single : A 46 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.15) USER MOD Single : A 47 THR OG1 : rot -110:sc= 1.33 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000214 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 71 ASN : amide:sc= -2! C(o=-2!,f=-4.1!) USER MOD Single : A 74 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0.394 (180deg=0.274) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.1!) USER MOD Single : A 85 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.444 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 15:sc= -4.89! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= -0.981 (180deg=-4.12!) USER MOD Single : A 101 SER OG : rot -106:sc= -0.961 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.013) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.233 F(o=-1.6,f=-0.23) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 3.067 0.761 1.334 1.00 0.99 N ATOM 16 CA GLN A 2 4.029 1.193 2.383 1.00 0.66 C ATOM 17 C GLN A 2 3.692 2.618 2.826 1.00 0.59 C ATOM 18 O GLN A 2 3.432 3.485 2.016 1.00 0.93 O ATOM 19 CB GLN A 2 5.452 1.154 1.822 1.00 0.70 C ATOM 20 CG GLN A 2 6.446 0.925 2.964 1.00 2.59 C ATOM 21 CD GLN A 2 7.196 2.226 3.258 1.00 2.17 C ATOM 22 OE1 GLN A 2 7.298 2.637 4.397 1.00 2.66 O ATOM 23 NE2 GLN A 2 7.728 2.895 2.272 1.00 2.25 N ATOM 0 HA GLN A 2 3.960 0.520 3.238 1.00 0.66 H new ATOM 0 HB2 GLN A 2 5.541 0.358 1.083 1.00 0.70 H new ATOM 0 HB3 GLN A 2 5.678 2.090 1.311 1.00 0.70 H new ATOM 0 HG2 GLN A 2 5.919 0.587 3.856 1.00 2.59 H new ATOM 0 HG3 GLN A 2 7.152 0.139 2.694 1.00 2.59 H new ATOM 0 HE21 GLN A 2 7.642 2.549 1.316 1.00 2.25 H new ATOM 0 HE22 GLN A 2 8.230 3.763 2.457 1.00 2.25 H new ATOM 32 N VAL A 3 3.692 2.867 4.107 1.00 0.39 N ATOM 33 CA VAL A 3 3.372 4.229 4.598 1.00 0.66 C ATOM 34 C VAL A 3 4.658 4.915 5.063 1.00 0.51 C ATOM 35 O VAL A 3 5.698 4.297 5.172 1.00 0.33 O ATOM 36 CB VAL A 3 2.388 4.128 5.757 1.00 0.97 C ATOM 37 CG1 VAL A 3 1.292 3.121 5.404 1.00 1.15 C ATOM 38 CG2 VAL A 3 3.124 3.665 7.015 1.00 1.13 C ATOM 0 H VAL A 3 3.901 2.182 4.833 1.00 0.39 H new ATOM 0 HA VAL A 3 2.923 4.815 3.796 1.00 0.66 H new ATOM 0 HB VAL A 3 1.940 5.104 5.941 1.00 0.97 H new ATOM 0 HG11 VAL A 3 0.586 3.046 6.231 1.00 1.15 H new ATOM 0 HG12 VAL A 3 0.767 3.453 4.508 1.00 1.15 H new ATOM 0 HG13 VAL A 3 1.740 2.145 5.220 1.00 1.15 H new ATOM 0 HG21 VAL A 3 2.419 3.593 7.843 1.00 1.13 H new ATOM 0 HG22 VAL A 3 3.573 2.688 6.835 1.00 1.13 H new ATOM 0 HG23 VAL A 3 3.905 4.383 7.265 1.00 1.13 H new ATOM 48 N ASP A 4 4.599 6.190 5.320 1.00 0.68 N ATOM 49 CA ASP A 4 5.821 6.923 5.753 1.00 0.58 C ATOM 50 C ASP A 4 6.154 6.612 7.218 1.00 0.63 C ATOM 51 O ASP A 4 5.365 6.842 8.111 1.00 0.75 O ATOM 52 CB ASP A 4 5.589 8.426 5.599 1.00 0.58 C ATOM 53 CG ASP A 4 6.912 9.114 5.260 1.00 0.84 C ATOM 54 OD1 ASP A 4 7.563 8.674 4.327 1.00 1.67 O ATOM 55 OD2 ASP A 4 7.252 10.069 5.939 1.00 1.77 O ATOM 0 H ASP A 4 3.755 6.759 5.249 1.00 0.68 H new ATOM 0 HA ASP A 4 6.656 6.604 5.130 1.00 0.58 H new ATOM 0 HB2 ASP A 4 4.858 8.613 4.813 1.00 0.58 H new ATOM 0 HB3 ASP A 4 5.178 8.838 6.521 1.00 0.58 H new ATOM 60 N VAL A 5 7.337 6.116 7.463 1.00 0.55 N ATOM 61 CA VAL A 5 7.765 5.814 8.860 1.00 0.59 C ATOM 62 C VAL A 5 9.283 5.976 8.934 1.00 0.59 C ATOM 63 O VAL A 5 9.969 5.905 7.934 1.00 0.58 O ATOM 64 CB VAL A 5 7.387 4.381 9.248 1.00 0.51 C ATOM 65 CG1 VAL A 5 6.963 4.351 10.718 1.00 1.52 C ATOM 66 CG2 VAL A 5 6.227 3.902 8.373 1.00 2.35 C ATOM 0 H VAL A 5 8.032 5.905 6.747 1.00 0.55 H new ATOM 0 HA VAL A 5 7.266 6.495 9.549 1.00 0.59 H new ATOM 0 HB VAL A 5 8.245 3.725 9.101 1.00 0.51 H new ATOM 0 HG11 VAL A 5 6.693 3.333 10.998 1.00 1.52 H new ATOM 0 HG12 VAL A 5 7.789 4.692 11.342 1.00 1.52 H new ATOM 0 HG13 VAL A 5 6.104 5.007 10.862 1.00 1.52 H new ATOM 0 HG21 VAL A 5 5.959 2.882 8.650 1.00 2.35 H new ATOM 0 HG22 VAL A 5 5.367 4.556 8.519 1.00 2.35 H new ATOM 0 HG23 VAL A 5 6.527 3.926 7.325 1.00 2.35 H new ATOM 76 N LYS A 6 9.815 6.203 10.098 1.00 0.65 N ATOM 77 CA LYS A 6 11.288 6.379 10.209 1.00 0.71 C ATOM 78 C LYS A 6 11.875 5.272 11.084 1.00 0.65 C ATOM 79 O LYS A 6 11.663 5.232 12.281 1.00 0.65 O ATOM 80 CB LYS A 6 11.591 7.741 10.829 1.00 0.83 C ATOM 81 CG LYS A 6 12.548 8.511 9.917 1.00 0.95 C ATOM 82 CD LYS A 6 11.997 8.522 8.488 1.00 2.97 C ATOM 83 CE LYS A 6 12.324 9.861 7.827 1.00 2.92 C ATOM 84 NZ LYS A 6 12.127 9.753 6.355 1.00 3.37 N ATOM 0 H LYS A 6 9.298 6.274 10.974 1.00 0.65 H new ATOM 0 HA LYS A 6 11.736 6.325 9.217 1.00 0.71 H new ATOM 0 HB2 LYS A 6 10.668 8.305 10.965 1.00 0.83 H new ATOM 0 HB3 LYS A 6 12.035 7.613 11.816 1.00 0.83 H new ATOM 0 HG2 LYS A 6 12.669 9.532 10.279 1.00 0.95 H new ATOM 0 HG3 LYS A 6 13.535 8.048 9.934 1.00 0.95 H new ATOM 0 HD2 LYS A 6 12.432 7.704 7.913 1.00 2.97 H new ATOM 0 HD3 LYS A 6 10.919 8.364 8.501 1.00 2.97 H new ATOM 0 HE2 LYS A 6 11.684 10.644 8.233 1.00 2.92 H new ATOM 0 HE3 LYS A 6 13.353 10.145 8.046 1.00 2.92 H new ATOM 0 HZ1 LYS A 6 12.350 10.665 5.907 1.00 3.37 H new ATOM 0 HZ2 LYS A 6 12.755 9.017 5.974 1.00 3.37 H new ATOM 0 HZ3 LYS A 6 11.138 9.502 6.155 1.00 3.37 H new ATOM 98 N ASP A 7 12.611 4.374 10.493 1.00 0.67 N ATOM 99 CA ASP A 7 13.216 3.265 11.280 1.00 0.65 C ATOM 100 C ASP A 7 13.930 3.828 12.509 1.00 0.67 C ATOM 101 O ASP A 7 14.399 4.949 12.509 1.00 1.45 O ATOM 102 CB ASP A 7 14.236 2.526 10.411 1.00 0.82 C ATOM 103 CG ASP A 7 13.526 1.460 9.576 1.00 0.13 C ATOM 104 OD1 ASP A 7 12.839 1.829 8.638 1.00 0.90 O ATOM 105 OD2 ASP A 7 13.685 0.292 9.888 1.00 1.62 O ATOM 0 H ASP A 7 12.820 4.360 9.495 1.00 0.67 H new ATOM 0 HA ASP A 7 12.428 2.582 11.597 1.00 0.65 H new ATOM 0 HB2 ASP A 7 14.750 3.231 9.757 1.00 0.82 H new ATOM 0 HB3 ASP A 7 14.996 2.062 11.040 1.00 0.82 H new ATOM 110 N CYS A 8 14.029 3.053 13.553 1.00 0.47 N ATOM 111 CA CYS A 8 14.730 3.532 14.776 1.00 0.41 C ATOM 112 C CYS A 8 15.772 2.491 15.186 1.00 0.41 C ATOM 113 O CYS A 8 16.122 2.369 16.344 1.00 0.67 O ATOM 114 CB CYS A 8 13.726 3.733 15.916 1.00 0.55 C ATOM 115 SG CYS A 8 12.153 2.943 15.496 1.00 2.67 S ATOM 0 H CYS A 8 13.654 2.106 13.612 1.00 0.47 H new ATOM 0 HA CYS A 8 15.216 4.485 14.567 1.00 0.41 H new ATOM 0 HB2 CYS A 8 14.121 3.309 16.839 1.00 0.55 H new ATOM 0 HB3 CYS A 8 13.573 4.797 16.094 1.00 0.55 H new ATOM 120 N ALA A 9 16.269 1.736 14.241 1.00 0.59 N ATOM 121 CA ALA A 9 17.288 0.700 14.569 1.00 0.62 C ATOM 122 C ALA A 9 18.604 1.034 13.877 1.00 0.63 C ATOM 123 O ALA A 9 19.546 1.494 14.490 1.00 0.68 O ATOM 124 CB ALA A 9 16.824 -0.667 14.067 1.00 0.62 C ATOM 0 H ALA A 9 16.012 1.794 13.256 1.00 0.59 H new ATOM 0 HA ALA A 9 17.422 0.678 15.651 1.00 0.62 H new ATOM 0 HB1 ALA A 9 17.575 -1.418 14.311 1.00 0.62 H new ATOM 0 HB2 ALA A 9 15.880 -0.929 14.545 1.00 0.62 H new ATOM 0 HB3 ALA A 9 16.686 -0.630 12.986 1.00 0.62 H new ATOM 130 N ASN A 10 18.676 0.781 12.599 1.00 0.62 N ATOM 131 CA ASN A 10 19.930 1.052 11.855 1.00 0.64 C ATOM 132 C ASN A 10 19.784 0.533 10.424 1.00 0.63 C ATOM 133 O ASN A 10 20.417 -0.429 10.035 1.00 0.56 O ATOM 134 CB ASN A 10 21.073 0.320 12.553 1.00 0.62 C ATOM 135 CG ASN A 10 22.076 1.339 13.096 1.00 0.75 C ATOM 136 OD1 ASN A 10 23.235 1.472 12.510 1.00 0.61 O flip ATOM 137 ND2 ASN A 10 21.802 2.024 14.061 1.00 1.17 N flip ATOM 0 H ASN A 10 17.915 0.397 12.039 1.00 0.62 H new ATOM 0 HA ASN A 10 20.135 2.122 11.830 1.00 0.64 H new ATOM 0 HB2 ASN A 10 20.684 -0.292 13.367 1.00 0.62 H new ATOM 0 HB3 ASN A 10 21.567 -0.355 11.854 1.00 0.62 H new ATOM 0 HD21 ASN A 10 20.897 1.921 14.519 1.00 1.17 H new ATOM 0 HD22 ASN A 10 22.477 2.703 14.413 1.00 1.17 H new ATOM 144 N ASN A 11 18.946 1.153 9.639 1.00 0.75 N ATOM 145 CA ASN A 11 18.757 0.680 8.241 1.00 0.75 C ATOM 146 C ASN A 11 18.376 -0.799 8.267 1.00 0.69 C ATOM 147 O ASN A 11 18.768 -1.567 7.411 1.00 0.93 O ATOM 148 CB ASN A 11 20.061 0.856 7.462 1.00 0.77 C ATOM 149 CG ASN A 11 19.932 2.046 6.509 1.00 0.90 C ATOM 150 OD1 ASN A 11 19.139 2.937 6.735 1.00 2.67 O ATOM 151 ND2 ASN A 11 20.687 2.098 5.446 1.00 1.84 N ATOM 0 H ASN A 11 18.387 1.963 9.905 1.00 0.75 H new ATOM 0 HA ASN A 11 17.969 1.258 7.758 1.00 0.75 H new ATOM 0 HB2 ASN A 11 20.890 1.017 8.152 1.00 0.77 H new ATOM 0 HB3 ASN A 11 20.286 -0.050 6.900 1.00 0.77 H new ATOM 0 HD21 ASN A 11 20.611 2.887 4.805 1.00 1.84 H new ATOM 0 HD22 ASN A 11 21.353 1.349 5.256 1.00 1.84 H new ATOM 158 N GLU A 12 17.620 -1.204 9.251 1.00 0.62 N ATOM 159 CA GLU A 12 17.220 -2.635 9.339 1.00 0.54 C ATOM 160 C GLU A 12 15.946 -2.867 8.529 1.00 0.48 C ATOM 161 O GLU A 12 15.988 -3.365 7.425 1.00 0.55 O ATOM 162 CB GLU A 12 16.962 -3.009 10.800 1.00 0.52 C ATOM 163 CG GLU A 12 17.916 -4.131 11.213 1.00 0.53 C ATOM 164 CD GLU A 12 19.355 -3.618 11.157 1.00 0.41 C ATOM 165 OE1 GLU A 12 19.561 -2.459 11.478 1.00 1.18 O ATOM 166 OE2 GLU A 12 20.227 -4.390 10.791 1.00 0.80 O ATOM 0 H GLU A 12 17.263 -0.606 9.996 1.00 0.62 H new ATOM 0 HA GLU A 12 18.023 -3.254 8.939 1.00 0.54 H new ATOM 0 HB2 GLU A 12 17.107 -2.139 11.441 1.00 0.52 H new ATOM 0 HB3 GLU A 12 15.928 -3.330 10.928 1.00 0.52 H new ATOM 0 HG2 GLU A 12 17.679 -4.473 12.220 1.00 0.53 H new ATOM 0 HG3 GLU A 12 17.797 -4.987 10.549 1.00 0.53 H new ATOM 173 N ILE A 13 14.812 -2.519 9.069 1.00 0.44 N ATOM 174 CA ILE A 13 13.543 -2.738 8.317 1.00 0.43 C ATOM 175 C ILE A 13 13.708 -2.254 6.877 1.00 0.49 C ATOM 176 O ILE A 13 14.104 -1.134 6.626 1.00 0.53 O ATOM 177 CB ILE A 13 12.392 -1.974 8.986 1.00 0.43 C ATOM 178 CG1 ILE A 13 12.471 -2.143 10.506 1.00 0.32 C ATOM 179 CG2 ILE A 13 11.051 -2.523 8.492 1.00 0.51 C ATOM 180 CD1 ILE A 13 11.155 -2.732 11.015 1.00 0.24 C ATOM 0 H ILE A 13 14.707 -2.096 9.991 1.00 0.44 H new ATOM 0 HA ILE A 13 13.311 -3.803 8.319 1.00 0.43 H new ATOM 0 HB ILE A 13 12.473 -0.918 8.730 1.00 0.43 H new ATOM 0 HG12 ILE A 13 13.302 -2.798 10.768 1.00 0.32 H new ATOM 0 HG13 ILE A 13 12.661 -1.181 10.982 1.00 0.32 H new ATOM 0 HG21 ILE A 13 10.237 -1.978 8.969 1.00 0.51 H new ATOM 0 HG22 ILE A 13 10.984 -2.402 7.411 1.00 0.51 H new ATOM 0 HG23 ILE A 13 10.976 -3.581 8.744 1.00 0.51 H new ATOM 0 HD11 ILE A 13 11.206 -2.855 12.097 1.00 0.24 H new ATOM 0 HD12 ILE A 13 10.334 -2.060 10.764 1.00 0.24 H new ATOM 0 HD13 ILE A 13 10.986 -3.702 10.548 1.00 0.24 H new ATOM 192 N LYS A 14 13.395 -3.093 5.927 1.00 0.50 N ATOM 193 CA LYS A 14 13.519 -2.684 4.503 1.00 0.56 C ATOM 194 C LYS A 14 12.332 -1.801 4.150 1.00 0.40 C ATOM 195 O LYS A 14 12.401 -0.984 3.252 1.00 0.22 O ATOM 196 CB LYS A 14 13.508 -3.926 3.606 1.00 0.66 C ATOM 197 CG LYS A 14 14.548 -4.929 4.103 1.00 0.77 C ATOM 198 CD LYS A 14 15.939 -4.478 3.660 1.00 0.89 C ATOM 199 CE LYS A 14 16.833 -4.334 4.888 1.00 1.04 C ATOM 200 NZ LYS A 14 17.324 -2.930 4.979 1.00 1.17 N ATOM 0 H LYS A 14 13.059 -4.044 6.078 1.00 0.50 H new ATOM 0 HA LYS A 14 14.453 -2.142 4.353 1.00 0.56 H new ATOM 0 HB2 LYS A 14 12.518 -4.381 3.611 1.00 0.66 H new ATOM 0 HB3 LYS A 14 13.724 -3.644 2.575 1.00 0.66 H new ATOM 0 HG2 LYS A 14 14.507 -5.004 5.190 1.00 0.77 H new ATOM 0 HG3 LYS A 14 14.332 -5.921 3.706 1.00 0.77 H new ATOM 0 HD2 LYS A 14 16.366 -5.203 2.967 1.00 0.89 H new ATOM 0 HD3 LYS A 14 15.875 -3.529 3.128 1.00 0.89 H new ATOM 0 HE2 LYS A 14 16.278 -4.596 5.789 1.00 1.04 H new ATOM 0 HE3 LYS A 14 17.676 -5.022 4.821 1.00 1.04 H new ATOM 0 HZ1 LYS A 14 18.356 -2.914 4.854 1.00 1.17 H new ATOM 0 HZ2 LYS A 14 16.877 -2.357 4.235 1.00 1.17 H new ATOM 0 HZ3 LYS A 14 17.082 -2.537 5.911 1.00 1.17 H new ATOM 214 N LYS A 15 11.244 -1.957 4.862 1.00 0.47 N ATOM 215 CA LYS A 15 10.034 -1.139 4.587 1.00 0.36 C ATOM 216 C LYS A 15 8.850 -1.741 5.345 1.00 0.36 C ATOM 217 O LYS A 15 8.585 -2.923 5.266 1.00 0.36 O ATOM 218 CB LYS A 15 9.717 -1.143 3.084 1.00 0.32 C ATOM 219 CG LYS A 15 8.630 -2.177 2.788 1.00 0.94 C ATOM 220 CD LYS A 15 8.483 -2.332 1.274 1.00 1.05 C ATOM 221 CE LYS A 15 8.997 -3.709 0.851 1.00 1.17 C ATOM 222 NZ LYS A 15 10.396 -3.585 0.352 1.00 1.94 N ATOM 0 H LYS A 15 11.146 -2.623 5.628 1.00 0.47 H new ATOM 0 HA LYS A 15 10.214 -0.114 4.910 1.00 0.36 H new ATOM 0 HB2 LYS A 15 9.386 -0.153 2.770 1.00 0.32 H new ATOM 0 HB3 LYS A 15 10.617 -1.374 2.514 1.00 0.32 H new ATOM 0 HG2 LYS A 15 8.889 -3.134 3.240 1.00 0.94 H new ATOM 0 HG3 LYS A 15 7.683 -1.863 3.227 1.00 0.94 H new ATOM 0 HD2 LYS A 15 7.438 -2.218 0.986 1.00 1.05 H new ATOM 0 HD3 LYS A 15 9.043 -1.550 0.761 1.00 1.05 H new ATOM 0 HE2 LYS A 15 8.960 -4.398 1.695 1.00 1.17 H new ATOM 0 HE3 LYS A 15 8.357 -4.124 0.072 1.00 1.17 H new ATOM 0 HZ1 LYS A 15 10.746 -4.521 0.064 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 10.418 -2.941 -0.464 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 11.002 -3.206 1.108 1.00 1.94 H new ATOM 236 N VAL A 16 8.137 -0.937 6.075 1.00 0.40 N ATOM 237 CA VAL A 16 6.964 -1.453 6.832 1.00 0.43 C ATOM 238 C VAL A 16 5.696 -0.865 6.207 1.00 0.45 C ATOM 239 O VAL A 16 5.544 0.338 6.108 1.00 0.48 O ATOM 240 CB VAL A 16 7.092 -1.021 8.291 1.00 0.43 C ATOM 241 CG1 VAL A 16 5.955 -0.060 8.649 1.00 0.41 C ATOM 242 CG2 VAL A 16 7.024 -2.248 9.204 1.00 0.42 C ATOM 0 H VAL A 16 8.315 0.062 6.182 1.00 0.40 H new ATOM 0 HA VAL A 16 6.917 -2.541 6.791 1.00 0.43 H new ATOM 0 HB VAL A 16 8.050 -0.519 8.429 1.00 0.43 H new ATOM 0 HG11 VAL A 16 6.051 0.245 9.691 1.00 0.41 H new ATOM 0 HG12 VAL A 16 6.006 0.819 8.007 1.00 0.41 H new ATOM 0 HG13 VAL A 16 4.997 -0.560 8.504 1.00 0.41 H new ATOM 0 HG21 VAL A 16 7.116 -1.934 10.244 1.00 0.42 H new ATOM 0 HG22 VAL A 16 6.070 -2.755 9.061 1.00 0.42 H new ATOM 0 HG23 VAL A 16 7.838 -2.930 8.958 1.00 0.42 H new ATOM 252 N MET A 17 4.797 -1.695 5.750 1.00 0.42 N ATOM 253 CA MET A 17 3.565 -1.164 5.095 1.00 0.41 C ATOM 254 C MET A 17 2.331 -1.417 5.966 1.00 0.32 C ATOM 255 O MET A 17 2.259 -2.379 6.706 1.00 0.32 O ATOM 256 CB MET A 17 3.371 -1.857 3.740 1.00 0.57 C ATOM 257 CG MET A 17 4.718 -1.995 3.020 1.00 0.79 C ATOM 258 SD MET A 17 4.743 -3.543 2.082 1.00 0.91 S ATOM 259 CE MET A 17 5.618 -4.538 3.314 1.00 1.33 C ATOM 0 H MET A 17 4.861 -2.712 5.801 1.00 0.42 H new ATOM 0 HA MET A 17 3.683 -0.089 4.958 1.00 0.41 H new ATOM 0 HB2 MET A 17 2.926 -2.841 3.887 1.00 0.57 H new ATOM 0 HB3 MET A 17 2.678 -1.282 3.125 1.00 0.57 H new ATOM 0 HG2 MET A 17 4.873 -1.149 2.351 1.00 0.79 H new ATOM 0 HG3 MET A 17 5.533 -1.982 3.744 1.00 0.79 H new ATOM 0 HE1 MET A 17 6.130 -5.363 2.818 1.00 1.33 H new ATOM 0 HE2 MET A 17 6.348 -3.916 3.832 1.00 1.33 H new ATOM 0 HE3 MET A 17 4.903 -4.935 4.035 1.00 1.33 H new ATOM 269 N VAL A 18 1.349 -0.560 5.859 1.00 0.32 N ATOM 270 CA VAL A 18 0.098 -0.739 6.648 1.00 0.38 C ATOM 271 C VAL A 18 -1.068 -0.899 5.674 1.00 0.39 C ATOM 272 O VAL A 18 -0.983 -0.514 4.525 1.00 0.43 O ATOM 273 CB VAL A 18 -0.143 0.488 7.529 1.00 0.38 C ATOM 274 CG1 VAL A 18 -1.556 0.423 8.119 1.00 0.60 C ATOM 275 CG2 VAL A 18 0.881 0.514 8.665 1.00 0.38 C ATOM 0 H VAL A 18 1.362 0.261 5.254 1.00 0.32 H new ATOM 0 HA VAL A 18 0.185 -1.619 7.285 1.00 0.38 H new ATOM 0 HB VAL A 18 -0.039 1.391 6.927 1.00 0.38 H new ATOM 0 HG11 VAL A 18 -1.729 1.297 8.747 1.00 0.60 H new ATOM 0 HG12 VAL A 18 -2.287 0.407 7.311 1.00 0.60 H new ATOM 0 HG13 VAL A 18 -1.658 -0.481 8.719 1.00 0.60 H new ATOM 0 HG21 VAL A 18 0.707 1.389 9.291 1.00 0.38 H new ATOM 0 HG22 VAL A 18 0.780 -0.389 9.267 1.00 0.38 H new ATOM 0 HG23 VAL A 18 1.887 0.561 8.247 1.00 0.38 H new ATOM 285 N ASP A 19 -2.156 -1.462 6.114 1.00 0.64 N ATOM 286 CA ASP A 19 -3.317 -1.637 5.199 1.00 0.63 C ATOM 287 C ASP A 19 -4.401 -0.614 5.545 1.00 0.59 C ATOM 288 O ASP A 19 -5.459 -0.959 6.035 1.00 0.56 O ATOM 289 CB ASP A 19 -3.877 -3.052 5.356 1.00 0.74 C ATOM 290 CG ASP A 19 -3.896 -3.745 3.991 1.00 0.94 C ATOM 291 OD1 ASP A 19 -3.817 -3.046 2.994 1.00 1.05 O ATOM 292 OD2 ASP A 19 -3.987 -4.961 3.966 1.00 1.32 O ATOM 0 H ASP A 19 -2.292 -1.808 7.064 1.00 0.64 H new ATOM 0 HA ASP A 19 -2.995 -1.485 4.169 1.00 0.63 H new ATOM 0 HB2 ASP A 19 -3.266 -3.621 6.057 1.00 0.74 H new ATOM 0 HB3 ASP A 19 -4.884 -3.013 5.770 1.00 0.74 H new ATOM 297 N GLY A 20 -4.153 0.645 5.289 1.00 0.61 N ATOM 298 CA GLY A 20 -5.182 1.679 5.604 1.00 0.58 C ATOM 299 C GLY A 20 -4.560 3.077 5.555 1.00 0.70 C ATOM 300 O GLY A 20 -5.083 3.972 4.919 1.00 0.97 O ATOM 0 H GLY A 20 -3.289 0.999 4.879 1.00 0.61 H new ATOM 0 HA2 GLY A 20 -6.004 1.614 4.891 1.00 0.58 H new ATOM 0 HA3 GLY A 20 -5.602 1.495 6.593 1.00 0.58 H new ATOM 304 N CYS A 21 -3.457 3.283 6.224 1.00 0.58 N ATOM 305 CA CYS A 21 -2.828 4.634 6.209 1.00 0.70 C ATOM 306 C CYS A 21 -2.019 4.819 4.929 1.00 0.74 C ATOM 307 O CYS A 21 -1.501 3.876 4.363 1.00 0.95 O ATOM 308 CB CYS A 21 -1.900 4.790 7.414 1.00 0.72 C ATOM 309 SG CYS A 21 -1.044 6.380 7.303 1.00 1.25 S ATOM 0 H CYS A 21 -2.968 2.579 6.776 1.00 0.58 H new ATOM 0 HA CYS A 21 -3.616 5.386 6.254 1.00 0.70 H new ATOM 0 HB2 CYS A 21 -2.474 4.736 8.339 1.00 0.72 H new ATOM 0 HB3 CYS A 21 -1.177 3.975 7.439 1.00 0.72 H new ATOM 314 N HIS A 22 -1.901 6.034 4.472 1.00 0.57 N ATOM 315 CA HIS A 22 -1.120 6.291 3.233 1.00 0.62 C ATOM 316 C HIS A 22 0.306 6.693 3.610 1.00 0.66 C ATOM 317 O HIS A 22 0.674 6.709 4.767 1.00 2.62 O ATOM 318 CB HIS A 22 -1.776 7.424 2.441 1.00 0.65 C ATOM 319 CG HIS A 22 -2.327 6.879 1.149 1.00 1.00 C ATOM 320 ND1 HIS A 22 -1.524 6.641 0.044 1.00 2.85 N ATOM 321 CD2 HIS A 22 -3.598 6.522 0.773 1.00 1.27 C ATOM 322 CE1 HIS A 22 -2.314 6.161 -0.935 1.00 3.31 C ATOM 323 NE2 HIS A 22 -3.587 6.069 -0.542 1.00 2.17 N ATOM 0 H HIS A 22 -2.313 6.861 4.905 1.00 0.57 H new ATOM 0 HA HIS A 22 -1.097 5.389 2.622 1.00 0.62 H new ATOM 0 HB2 HIS A 22 -2.575 7.877 3.028 1.00 0.65 H new ATOM 0 HB3 HIS A 22 -1.047 8.208 2.236 1.00 0.65 H new ATOM 0 HD2 HIS A 22 -4.473 6.584 1.403 1.00 1.27 H new ATOM 0 HE1 HIS A 22 -1.961 5.884 -1.918 1.00 3.31 H new ATOM 0 HE2 HIS A 22 -4.381 5.737 -1.089 1.00 2.17 H new ATOM 331 N GLY A 23 1.113 7.012 2.639 1.00 1.82 N ATOM 332 CA GLY A 23 2.518 7.410 2.929 1.00 1.92 C ATOM 333 C GLY A 23 2.540 8.717 3.724 1.00 1.34 C ATOM 334 O GLY A 23 2.004 8.802 4.813 1.00 1.24 O ATOM 0 H GLY A 23 0.859 7.014 1.651 1.00 1.82 H new ATOM 0 HA2 GLY A 23 3.018 6.623 3.494 1.00 1.92 H new ATOM 0 HA3 GLY A 23 3.069 7.533 1.997 1.00 1.92 H new ATOM 338 N SER A 24 3.169 9.730 3.188 1.00 1.13 N ATOM 339 CA SER A 24 3.247 11.039 3.899 1.00 0.71 C ATOM 340 C SER A 24 1.922 11.337 4.607 1.00 0.56 C ATOM 341 O SER A 24 1.900 11.754 5.748 1.00 0.71 O ATOM 342 CB SER A 24 3.544 12.148 2.888 1.00 1.01 C ATOM 343 OG SER A 24 2.660 12.027 1.780 1.00 1.27 O ATOM 0 H SER A 24 3.635 9.706 2.281 1.00 1.13 H new ATOM 0 HA SER A 24 4.043 10.993 4.642 1.00 0.71 H new ATOM 0 HB2 SER A 24 3.425 13.125 3.357 1.00 1.01 H new ATOM 0 HB3 SER A 24 4.578 12.080 2.551 1.00 1.01 H new ATOM 0 HG SER A 24 2.848 12.738 1.132 1.00 1.27 H new ATOM 349 N ASP A 25 0.817 11.125 3.945 1.00 0.72 N ATOM 350 CA ASP A 25 -0.499 11.397 4.591 1.00 0.58 C ATOM 351 C ASP A 25 -0.486 10.838 6.016 1.00 0.77 C ATOM 352 O ASP A 25 0.277 9.943 6.322 1.00 0.86 O ATOM 353 CB ASP A 25 -1.611 10.719 3.787 1.00 0.63 C ATOM 354 CG ASP A 25 -2.294 11.749 2.886 1.00 0.72 C ATOM 355 OD1 ASP A 25 -2.268 12.919 3.235 1.00 0.16 O ATOM 356 OD2 ASP A 25 -2.827 11.353 1.864 1.00 1.51 O ATOM 0 H ASP A 25 0.768 10.776 2.988 1.00 0.72 H new ATOM 0 HA ASP A 25 -0.678 12.472 4.621 1.00 0.58 H new ATOM 0 HB2 ASP A 25 -1.197 9.911 3.184 1.00 0.63 H new ATOM 0 HB3 ASP A 25 -2.340 10.271 4.462 1.00 0.63 H new ATOM 361 N PRO A 26 -1.337 11.383 6.844 1.00 0.90 N ATOM 362 CA PRO A 26 -1.458 10.962 8.251 1.00 1.11 C ATOM 363 C PRO A 26 -2.249 9.655 8.345 1.00 0.96 C ATOM 364 O PRO A 26 -2.779 9.169 7.365 1.00 1.08 O ATOM 365 CB PRO A 26 -2.218 12.117 8.906 1.00 1.34 C ATOM 366 CG PRO A 26 -2.974 12.842 7.767 1.00 1.25 C ATOM 367 CD PRO A 26 -2.256 12.468 6.454 1.00 0.97 C ATOM 0 HA PRO A 26 -0.498 10.770 8.730 1.00 1.11 H new ATOM 0 HB2 PRO A 26 -2.913 11.747 9.660 1.00 1.34 H new ATOM 0 HB3 PRO A 26 -1.532 12.797 9.411 1.00 1.34 H new ATOM 0 HG2 PRO A 26 -4.019 12.534 7.738 1.00 1.25 H new ATOM 0 HG3 PRO A 26 -2.964 13.921 7.921 1.00 1.25 H new ATOM 0 HD2 PRO A 26 -2.963 12.138 5.693 1.00 0.97 H new ATOM 0 HD3 PRO A 26 -1.715 13.319 6.039 1.00 0.97 H new ATOM 375 N CYS A 27 -2.331 9.076 9.512 1.00 0.72 N ATOM 376 CA CYS A 27 -3.083 7.797 9.648 1.00 0.58 C ATOM 377 C CYS A 27 -4.203 7.954 10.681 1.00 0.52 C ATOM 378 O CYS A 27 -4.007 8.501 11.746 1.00 0.47 O ATOM 379 CB CYS A 27 -2.128 6.693 10.110 1.00 0.47 C ATOM 380 SG CYS A 27 -0.562 6.829 9.213 1.00 0.79 S ATOM 0 H CYS A 27 -1.913 9.431 10.372 1.00 0.72 H new ATOM 0 HA CYS A 27 -3.516 7.535 8.683 1.00 0.58 H new ATOM 0 HB2 CYS A 27 -1.953 6.776 11.183 1.00 0.47 H new ATOM 0 HB3 CYS A 27 -2.575 5.715 9.935 1.00 0.47 H new ATOM 385 N ILE A 28 -5.371 7.459 10.379 1.00 0.56 N ATOM 386 CA ILE A 28 -6.500 7.557 11.342 1.00 0.54 C ATOM 387 C ILE A 28 -6.807 6.162 11.878 1.00 0.47 C ATOM 388 O ILE A 28 -7.335 5.322 11.176 1.00 0.60 O ATOM 389 CB ILE A 28 -7.737 8.110 10.638 1.00 0.69 C ATOM 390 CG1 ILE A 28 -7.445 9.525 10.131 1.00 0.79 C ATOM 391 CG2 ILE A 28 -8.906 8.146 11.623 1.00 0.72 C ATOM 392 CD1 ILE A 28 -6.602 10.276 11.161 1.00 1.14 C ATOM 0 H ILE A 28 -5.592 6.988 9.501 1.00 0.56 H new ATOM 0 HA ILE A 28 -6.228 8.224 12.160 1.00 0.54 H new ATOM 0 HB ILE A 28 -7.995 7.471 9.793 1.00 0.69 H new ATOM 0 HG12 ILE A 28 -6.917 9.479 9.178 1.00 0.79 H new ATOM 0 HG13 ILE A 28 -8.379 10.058 9.953 1.00 0.79 H new ATOM 0 HG21 ILE A 28 -9.791 8.540 11.123 1.00 0.72 H new ATOM 0 HG22 ILE A 28 -9.111 7.137 11.981 1.00 0.72 H new ATOM 0 HG23 ILE A 28 -8.651 8.786 12.467 1.00 0.72 H new ATOM 0 HD11 ILE A 28 -6.396 11.283 10.798 1.00 1.14 H new ATOM 0 HD12 ILE A 28 -7.146 10.335 12.104 1.00 1.14 H new ATOM 0 HD13 ILE A 28 -5.662 9.747 11.317 1.00 1.14 H new ATOM 404 N ILE A 29 -6.478 5.901 13.108 1.00 0.30 N ATOM 405 CA ILE A 29 -6.749 4.552 13.673 1.00 0.31 C ATOM 406 C ILE A 29 -8.158 4.515 14.259 1.00 0.57 C ATOM 407 O ILE A 29 -8.505 5.293 15.124 1.00 0.76 O ATOM 408 CB ILE A 29 -5.725 4.233 14.765 1.00 0.26 C ATOM 409 CG1 ILE A 29 -4.413 3.800 14.111 1.00 0.26 C ATOM 410 CG2 ILE A 29 -6.249 3.099 15.645 1.00 0.43 C ATOM 411 CD1 ILE A 29 -3.307 4.791 14.474 1.00 0.52 C ATOM 0 H ILE A 29 -6.034 6.561 13.747 1.00 0.30 H new ATOM 0 HA ILE A 29 -6.670 3.808 12.881 1.00 0.31 H new ATOM 0 HB ILE A 29 -5.558 5.119 15.378 1.00 0.26 H new ATOM 0 HG12 ILE A 29 -4.142 2.799 14.445 1.00 0.26 H new ATOM 0 HG13 ILE A 29 -4.533 3.754 13.029 1.00 0.26 H new ATOM 0 HG21 ILE A 29 -5.518 2.874 16.422 1.00 0.43 H new ATOM 0 HG22 ILE A 29 -7.188 3.402 16.108 1.00 0.43 H new ATOM 0 HG23 ILE A 29 -6.415 2.211 15.034 1.00 0.43 H new ATOM 0 HD11 ILE A 29 -2.372 4.480 14.007 1.00 0.52 H new ATOM 0 HD12 ILE A 29 -3.578 5.785 14.118 1.00 0.52 H new ATOM 0 HD13 ILE A 29 -3.181 4.815 15.556 1.00 0.52 H new ATOM 423 N HIS A 30 -8.969 3.610 13.789 1.00 0.63 N ATOM 424 CA HIS A 30 -10.358 3.510 14.312 1.00 0.89 C ATOM 425 C HIS A 30 -10.381 2.544 15.499 1.00 0.89 C ATOM 426 O HIS A 30 -10.357 1.341 15.342 1.00 0.79 O ATOM 427 CB HIS A 30 -11.284 3.002 13.206 1.00 1.05 C ATOM 428 CG HIS A 30 -11.225 3.954 12.044 1.00 0.99 C ATOM 429 ND1 HIS A 30 -10.170 4.428 11.306 1.00 1.19 N flip ATOM 430 CD2 HIS A 30 -12.357 4.554 11.515 1.00 0.84 C flip ATOM 431 CE1 HIS A 30 -10.635 5.310 10.335 1.00 1.06 C flip ATOM 432 NE2 HIS A 30 -11.959 5.350 10.504 1.00 0.87 N flip ATOM 0 H HIS A 30 -8.729 2.934 13.064 1.00 0.63 H new ATOM 0 HA HIS A 30 -10.701 4.491 14.640 1.00 0.89 H new ATOM 0 HB2 HIS A 30 -10.982 2.003 12.891 1.00 1.05 H new ATOM 0 HB3 HIS A 30 -12.306 2.923 13.577 1.00 1.05 H new ATOM 0 HD1 HIS A 30 -9.193 4.173 11.448 1.00 1.19 H new ATOM 0 HD2 HIS A 30 -13.373 4.410 11.852 1.00 0.84 H new ATOM 0 HE1 HIS A 30 -10.051 5.847 9.602 1.00 1.06 H new ATOM 440 N ARG A 31 -10.415 3.079 16.686 1.00 1.04 N ATOM 441 CA ARG A 31 -10.427 2.234 17.914 1.00 1.12 C ATOM 442 C ARG A 31 -11.276 0.977 17.710 1.00 1.04 C ATOM 443 O ARG A 31 -12.283 0.992 17.030 1.00 1.26 O ATOM 444 CB ARG A 31 -11.023 3.051 19.058 1.00 1.53 C ATOM 445 CG ARG A 31 -10.073 3.043 20.246 1.00 1.20 C ATOM 446 CD ARG A 31 -10.493 4.143 21.216 1.00 0.75 C ATOM 447 NE ARG A 31 -11.981 4.207 21.279 1.00 0.75 N ATOM 448 CZ ARG A 31 -12.593 4.100 22.427 1.00 1.14 C ATOM 449 NH1 ARG A 31 -12.165 4.773 23.459 1.00 1.79 N ATOM 450 NH2 ARG A 31 -13.639 3.331 22.540 1.00 1.67 N ATOM 0 H ARG A 31 -10.435 4.084 16.861 1.00 1.04 H new ATOM 0 HA ARG A 31 -9.406 1.928 18.141 1.00 1.12 H new ATOM 0 HB2 ARG A 31 -11.202 4.075 18.731 1.00 1.53 H new ATOM 0 HB3 ARG A 31 -11.988 2.636 19.349 1.00 1.53 H new ATOM 0 HG2 ARG A 31 -10.097 2.073 20.742 1.00 1.20 H new ATOM 0 HG3 ARG A 31 -9.048 3.205 19.911 1.00 1.20 H new ATOM 0 HD2 ARG A 31 -10.084 3.945 22.207 1.00 0.75 H new ATOM 0 HD3 ARG A 31 -10.090 5.102 20.891 1.00 0.75 H new ATOM 0 HE ARG A 31 -12.522 4.335 20.424 1.00 0.75 H new ATOM 0 HH11 ARG A 31 -11.352 5.383 23.369 1.00 1.79 H new ATOM 0 HH12 ARG A 31 -12.643 4.690 24.356 1.00 1.79 H new ATOM 0 HH21 ARG A 31 -13.980 2.812 21.731 1.00 1.67 H new ATOM 0 HH22 ARG A 31 -14.116 3.248 23.438 1.00 1.67 H new ATOM 464 N GLY A 32 -10.882 -0.107 18.325 1.00 0.87 N ATOM 465 CA GLY A 32 -11.661 -1.371 18.207 1.00 0.73 C ATOM 466 C GLY A 32 -11.370 -2.064 16.869 1.00 0.64 C ATOM 467 O GLY A 32 -11.838 -3.157 16.616 1.00 0.69 O ATOM 0 H GLY A 32 -10.047 -0.169 18.908 1.00 0.87 H new ATOM 0 HA2 GLY A 32 -11.408 -2.038 19.031 1.00 0.73 H new ATOM 0 HA3 GLY A 32 -12.727 -1.156 18.287 1.00 0.73 H new ATOM 471 N LYS A 33 -10.614 -1.442 16.000 1.00 0.52 N ATOM 472 CA LYS A 33 -10.321 -2.086 14.684 1.00 0.46 C ATOM 473 C LYS A 33 -8.889 -2.627 14.667 1.00 0.37 C ATOM 474 O LYS A 33 -8.024 -2.124 15.353 1.00 0.32 O ATOM 475 CB LYS A 33 -10.488 -1.058 13.563 1.00 0.47 C ATOM 476 CG LYS A 33 -9.125 -0.759 12.933 1.00 0.46 C ATOM 477 CD LYS A 33 -9.261 0.426 11.976 1.00 0.73 C ATOM 478 CE LYS A 33 -10.572 0.307 11.199 1.00 0.56 C ATOM 479 NZ LYS A 33 -10.572 -0.958 10.410 1.00 1.73 N ATOM 0 H LYS A 33 -10.191 -0.525 16.143 1.00 0.52 H new ATOM 0 HA LYS A 33 -11.016 -2.912 14.533 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -11.174 -1.438 12.806 1.00 0.47 H new ATOM 0 HB3 LYS A 33 -10.926 -0.142 13.959 1.00 0.47 H new ATOM 0 HG2 LYS A 33 -8.394 -0.532 13.709 1.00 0.46 H new ATOM 0 HG3 LYS A 33 -8.759 -1.635 12.397 1.00 0.46 H new ATOM 0 HD2 LYS A 33 -9.241 1.362 12.534 1.00 0.73 H new ATOM 0 HD3 LYS A 33 -8.418 0.448 11.286 1.00 0.73 H new ATOM 0 HE2 LYS A 33 -11.417 0.318 11.888 1.00 0.56 H new ATOM 0 HE3 LYS A 33 -10.691 1.162 10.534 1.00 0.56 H new ATOM 0 HZ1 LYS A 33 -10.768 -0.744 9.411 1.00 1.73 H new ATOM 0 HZ2 LYS A 33 -9.642 -1.417 10.490 1.00 1.73 H new ATOM 0 HZ3 LYS A 33 -11.306 -1.597 10.778 1.00 1.73 H new ATOM 493 N PRO A 34 -8.695 -3.651 13.877 1.00 0.37 N ATOM 494 CA PRO A 34 -7.389 -4.312 13.724 1.00 0.31 C ATOM 495 C PRO A 34 -6.492 -3.552 12.738 1.00 0.28 C ATOM 496 O PRO A 34 -6.797 -3.425 11.568 1.00 0.35 O ATOM 497 CB PRO A 34 -7.749 -5.689 13.158 1.00 0.32 C ATOM 498 CG PRO A 34 -9.135 -5.529 12.483 1.00 0.41 C ATOM 499 CD PRO A 34 -9.772 -4.253 13.070 1.00 0.46 C ATOM 0 HA PRO A 34 -6.834 -4.359 14.661 1.00 0.31 H new ATOM 0 HB2 PRO A 34 -7.001 -6.022 12.438 1.00 0.32 H new ATOM 0 HB3 PRO A 34 -7.785 -6.438 13.949 1.00 0.32 H new ATOM 0 HG2 PRO A 34 -9.031 -5.447 11.401 1.00 0.41 H new ATOM 0 HG3 PRO A 34 -9.762 -6.399 12.677 1.00 0.41 H new ATOM 0 HD2 PRO A 34 -10.106 -3.576 12.283 1.00 0.46 H new ATOM 0 HD3 PRO A 34 -10.644 -4.488 13.681 1.00 0.46 H new ATOM 507 N PHE A 35 -5.375 -3.075 13.206 1.00 0.19 N ATOM 508 CA PHE A 35 -4.419 -2.351 12.325 1.00 0.22 C ATOM 509 C PHE A 35 -3.347 -3.354 11.904 1.00 0.12 C ATOM 510 O PHE A 35 -2.717 -3.968 12.737 1.00 0.04 O ATOM 511 CB PHE A 35 -3.764 -1.228 13.127 1.00 0.27 C ATOM 512 CG PHE A 35 -3.467 -0.040 12.249 1.00 0.38 C ATOM 513 CD1 PHE A 35 -4.492 0.839 11.885 1.00 0.49 C ATOM 514 CD2 PHE A 35 -2.157 0.189 11.814 1.00 0.41 C ATOM 515 CE1 PHE A 35 -4.206 1.951 11.083 1.00 0.62 C ATOM 516 CE2 PHE A 35 -1.869 1.299 11.015 1.00 0.54 C ATOM 517 CZ PHE A 35 -2.894 2.180 10.649 1.00 0.65 C ATOM 0 H PHE A 35 -5.079 -3.158 14.179 1.00 0.19 H new ATOM 0 HA PHE A 35 -4.923 -1.929 11.456 1.00 0.22 H new ATOM 0 HB2 PHE A 35 -4.422 -0.927 13.942 1.00 0.27 H new ATOM 0 HB3 PHE A 35 -2.841 -1.590 13.580 1.00 0.27 H new ATOM 0 HD1 PHE A 35 -5.503 0.661 12.222 1.00 0.49 H new ATOM 0 HD2 PHE A 35 -1.368 -0.492 12.096 1.00 0.41 H new ATOM 0 HE1 PHE A 35 -4.996 2.631 10.800 1.00 0.62 H new ATOM 0 HE2 PHE A 35 -0.858 1.477 10.680 1.00 0.54 H new ATOM 0 HZ PHE A 35 -2.673 3.038 10.031 1.00 0.65 H new ATOM 527 N THR A 36 -3.136 -3.554 10.637 1.00 0.21 N ATOM 528 CA THR A 36 -2.110 -4.556 10.233 1.00 0.13 C ATOM 529 C THR A 36 -0.868 -3.867 9.682 1.00 0.13 C ATOM 530 O THR A 36 -0.946 -2.944 8.897 1.00 0.19 O ATOM 531 CB THR A 36 -2.691 -5.488 9.169 1.00 0.14 C ATOM 532 OG1 THR A 36 -3.874 -6.093 9.673 1.00 0.35 O ATOM 533 CG2 THR A 36 -1.663 -6.570 8.827 1.00 0.17 C ATOM 0 H THR A 36 -3.618 -3.079 9.874 1.00 0.21 H new ATOM 0 HA THR A 36 -1.826 -5.133 11.113 1.00 0.13 H new ATOM 0 HB THR A 36 -2.929 -4.920 8.270 1.00 0.14 H new ATOM 0 HG1 THR A 36 -4.251 -6.690 8.994 1.00 0.35 H new ATOM 0 HG21 THR A 36 -2.074 -7.236 8.069 1.00 0.17 H new ATOM 0 HG22 THR A 36 -0.756 -6.102 8.445 1.00 0.17 H new ATOM 0 HG23 THR A 36 -1.426 -7.143 9.723 1.00 0.17 H new ATOM 541 N LEU A 37 0.283 -4.327 10.084 1.00 0.12 N ATOM 542 CA LEU A 37 1.542 -3.725 9.583 1.00 0.18 C ATOM 543 C LEU A 37 2.565 -4.837 9.349 1.00 0.24 C ATOM 544 O LEU A 37 2.895 -5.597 10.236 1.00 0.28 O ATOM 545 CB LEU A 37 2.108 -2.693 10.585 1.00 0.15 C ATOM 546 CG LEU A 37 1.751 -3.038 12.044 1.00 0.49 C ATOM 547 CD1 LEU A 37 0.239 -2.949 12.264 1.00 0.77 C ATOM 548 CD2 LEU A 37 2.251 -4.443 12.395 1.00 0.78 C ATOM 0 H LEU A 37 0.403 -5.098 10.741 1.00 0.12 H new ATOM 0 HA LEU A 37 1.333 -3.203 8.649 1.00 0.18 H new ATOM 0 HB2 LEU A 37 3.192 -2.645 10.480 1.00 0.15 H new ATOM 0 HB3 LEU A 37 1.720 -1.704 10.342 1.00 0.15 H new ATOM 0 HG LEU A 37 2.240 -2.315 12.697 1.00 0.49 H new ATOM 0 HD11 LEU A 37 0.007 -3.196 13.300 1.00 0.77 H new ATOM 0 HD12 LEU A 37 -0.101 -1.936 12.047 1.00 0.77 H new ATOM 0 HD13 LEU A 37 -0.267 -3.651 11.601 1.00 0.77 H new ATOM 0 HD21 LEU A 37 1.992 -4.674 13.428 1.00 0.78 H new ATOM 0 HD22 LEU A 37 1.784 -5.172 11.733 1.00 0.78 H new ATOM 0 HD23 LEU A 37 3.333 -4.485 12.274 1.00 0.78 H new ATOM 560 N GLU A 38 3.076 -4.932 8.157 1.00 0.29 N ATOM 561 CA GLU A 38 4.085 -5.983 7.863 1.00 0.35 C ATOM 562 C GLU A 38 5.454 -5.325 7.849 1.00 0.36 C ATOM 563 O GLU A 38 5.633 -4.269 7.275 1.00 0.38 O ATOM 564 CB GLU A 38 3.807 -6.608 6.499 1.00 0.44 C ATOM 565 CG GLU A 38 4.741 -7.800 6.285 1.00 0.74 C ATOM 566 CD GLU A 38 4.755 -8.179 4.803 1.00 0.71 C ATOM 567 OE1 GLU A 38 5.464 -7.530 4.053 1.00 0.89 O ATOM 568 OE2 GLU A 38 4.053 -9.110 4.446 1.00 0.56 O ATOM 0 H GLU A 38 2.838 -4.326 7.372 1.00 0.29 H new ATOM 0 HA GLU A 38 4.042 -6.767 8.619 1.00 0.35 H new ATOM 0 HB2 GLU A 38 2.768 -6.931 6.440 1.00 0.44 H new ATOM 0 HB3 GLU A 38 3.956 -5.869 5.711 1.00 0.44 H new ATOM 0 HG2 GLU A 38 5.749 -7.550 6.617 1.00 0.74 H new ATOM 0 HG3 GLU A 38 4.409 -8.648 6.885 1.00 0.74 H new ATOM 575 N ALA A 39 6.418 -5.911 8.485 1.00 0.38 N ATOM 576 CA ALA A 39 7.751 -5.272 8.502 1.00 0.40 C ATOM 577 C ALA A 39 8.827 -6.265 8.099 1.00 0.42 C ATOM 578 O ALA A 39 9.053 -7.262 8.756 1.00 0.41 O ATOM 579 CB ALA A 39 8.043 -4.759 9.909 1.00 0.40 C ATOM 0 H ALA A 39 6.343 -6.795 8.989 1.00 0.38 H new ATOM 0 HA ALA A 39 7.753 -4.446 7.791 1.00 0.40 H new ATOM 0 HB1 ALA A 39 9.025 -4.287 9.928 1.00 0.40 H new ATOM 0 HB2 ALA A 39 7.284 -4.030 10.195 1.00 0.40 H new ATOM 0 HB3 ALA A 39 8.028 -5.593 10.611 1.00 0.40 H new ATOM 585 N LEU A 40 9.531 -5.968 7.049 1.00 0.46 N ATOM 586 CA LEU A 40 10.639 -6.854 6.626 1.00 0.48 C ATOM 587 C LEU A 40 11.866 -6.341 7.357 1.00 0.42 C ATOM 588 O LEU A 40 12.026 -5.152 7.516 1.00 0.42 O ATOM 589 CB LEU A 40 10.859 -6.739 5.117 1.00 0.53 C ATOM 590 CG LEU A 40 9.550 -7.021 4.379 1.00 0.62 C ATOM 591 CD1 LEU A 40 9.626 -6.432 2.969 1.00 0.79 C ATOM 592 CD2 LEU A 40 9.341 -8.531 4.284 1.00 0.70 C ATOM 0 H LEU A 40 9.385 -5.146 6.464 1.00 0.46 H new ATOM 0 HA LEU A 40 10.428 -7.899 6.853 1.00 0.48 H new ATOM 0 HB2 LEU A 40 11.220 -5.741 4.868 1.00 0.53 H new ATOM 0 HB3 LEU A 40 11.626 -7.444 4.797 1.00 0.53 H new ATOM 0 HG LEU A 40 8.719 -6.568 4.920 1.00 0.62 H new ATOM 0 HD11 LEU A 40 8.694 -6.632 2.441 1.00 0.79 H new ATOM 0 HD12 LEU A 40 9.784 -5.355 3.032 1.00 0.79 H new ATOM 0 HD13 LEU A 40 10.455 -6.889 2.428 1.00 0.79 H new ATOM 0 HD21 LEU A 40 8.409 -8.737 3.758 1.00 0.70 H new ATOM 0 HD22 LEU A 40 10.171 -8.980 3.739 1.00 0.70 H new ATOM 0 HD23 LEU A 40 9.294 -8.956 5.287 1.00 0.70 H new ATOM 604 N PHE A 41 12.719 -7.188 7.835 1.00 0.39 N ATOM 605 CA PHE A 41 13.892 -6.656 8.574 1.00 0.31 C ATOM 606 C PHE A 41 15.046 -7.647 8.528 1.00 0.25 C ATOM 607 O PHE A 41 14.862 -8.837 8.673 1.00 0.28 O ATOM 608 CB PHE A 41 13.489 -6.407 10.027 1.00 0.30 C ATOM 609 CG PHE A 41 12.808 -7.633 10.568 1.00 0.32 C ATOM 610 CD1 PHE A 41 13.576 -8.673 11.089 1.00 0.31 C ATOM 611 CD2 PHE A 41 11.410 -7.729 10.542 1.00 0.36 C ATOM 612 CE1 PHE A 41 12.955 -9.817 11.591 1.00 0.33 C ATOM 613 CE2 PHE A 41 10.779 -8.876 11.041 1.00 0.38 C ATOM 614 CZ PHE A 41 11.554 -9.923 11.568 1.00 0.37 C ATOM 0 H PHE A 41 12.663 -8.203 7.752 1.00 0.39 H new ATOM 0 HA PHE A 41 14.217 -5.725 8.109 1.00 0.31 H new ATOM 0 HB2 PHE A 41 14.369 -6.171 10.626 1.00 0.30 H new ATOM 0 HB3 PHE A 41 12.821 -5.548 10.090 1.00 0.30 H new ATOM 0 HD1 PHE A 41 14.653 -8.593 11.104 1.00 0.31 H new ATOM 0 HD2 PHE A 41 10.820 -6.920 10.138 1.00 0.36 H new ATOM 0 HE1 PHE A 41 13.551 -10.621 11.997 1.00 0.33 H new ATOM 0 HE2 PHE A 41 9.702 -8.955 11.021 1.00 0.38 H new ATOM 0 HZ PHE A 41 11.073 -10.809 11.955 1.00 0.37 H new ATOM 624 N ASP A 42 16.240 -7.164 8.351 1.00 0.18 N ATOM 625 CA ASP A 42 17.401 -8.086 8.323 1.00 0.13 C ATOM 626 C ASP A 42 17.835 -8.337 9.756 1.00 0.09 C ATOM 627 O ASP A 42 18.370 -7.470 10.421 1.00 0.12 O ATOM 628 CB ASP A 42 18.555 -7.461 7.537 1.00 0.07 C ATOM 629 CG ASP A 42 18.445 -7.862 6.066 1.00 0.68 C ATOM 630 OD1 ASP A 42 18.860 -8.962 5.740 1.00 1.14 O ATOM 631 OD2 ASP A 42 17.946 -7.062 5.290 1.00 1.05 O ATOM 0 H ASP A 42 16.461 -6.176 8.225 1.00 0.18 H new ATOM 0 HA ASP A 42 17.123 -9.021 7.837 1.00 0.13 H new ATOM 0 HB2 ASP A 42 18.528 -6.375 7.632 1.00 0.07 H new ATOM 0 HB3 ASP A 42 19.509 -7.793 7.945 1.00 0.07 H new ATOM 636 N ALA A 43 17.596 -9.517 10.237 1.00 0.09 N ATOM 637 CA ALA A 43 17.974 -9.844 11.628 1.00 0.12 C ATOM 638 C ALA A 43 19.382 -9.309 11.895 1.00 0.11 C ATOM 639 O ALA A 43 20.347 -9.759 11.311 1.00 0.09 O ATOM 640 CB ALA A 43 17.961 -11.360 11.772 1.00 0.17 C ATOM 0 H ALA A 43 17.151 -10.275 9.720 1.00 0.09 H new ATOM 0 HA ALA A 43 17.280 -9.395 12.339 1.00 0.12 H new ATOM 0 HB1 ALA A 43 18.237 -11.631 12.791 1.00 0.17 H new ATOM 0 HB2 ALA A 43 16.962 -11.738 11.554 1.00 0.17 H new ATOM 0 HB3 ALA A 43 18.675 -11.798 11.074 1.00 0.17 H new ATOM 646 N ASN A 44 19.510 -8.345 12.762 1.00 0.15 N ATOM 647 CA ASN A 44 20.858 -7.783 13.045 1.00 0.18 C ATOM 648 C ASN A 44 21.571 -8.656 14.079 1.00 0.22 C ATOM 649 O ASN A 44 22.607 -8.295 14.600 1.00 0.25 O ATOM 650 CB ASN A 44 20.717 -6.358 13.582 1.00 0.29 C ATOM 651 CG ASN A 44 20.352 -6.406 15.066 1.00 0.36 C ATOM 652 OD1 ASN A 44 19.104 -6.273 15.424 1.00 0.58 O flip ATOM 653 ND2 ASN A 44 21.212 -6.571 15.910 1.00 0.29 N flip ATOM 0 H ASN A 44 18.742 -7.923 13.285 1.00 0.15 H new ATOM 0 HA ASN A 44 21.443 -7.765 12.125 1.00 0.18 H new ATOM 0 HB2 ASN A 44 21.650 -5.812 13.444 1.00 0.29 H new ATOM 0 HB3 ASN A 44 19.948 -5.822 13.025 1.00 0.29 H new ATOM 0 HD21 ASN A 44 22.187 -6.675 15.631 1.00 0.29 H new ATOM 0 HD22 ASN A 44 20.958 -6.605 16.897 1.00 0.29 H new ATOM 660 N GLN A 45 21.024 -9.803 14.377 1.00 0.23 N ATOM 661 CA GLN A 45 21.669 -10.702 15.373 1.00 0.29 C ATOM 662 C GLN A 45 21.000 -12.078 15.321 1.00 0.30 C ATOM 663 O GLN A 45 19.879 -12.214 14.874 1.00 0.29 O ATOM 664 CB GLN A 45 21.513 -10.117 16.768 1.00 0.30 C ATOM 665 CG GLN A 45 20.073 -10.307 17.228 1.00 0.28 C ATOM 666 CD GLN A 45 19.524 -8.981 17.752 1.00 0.43 C ATOM 667 OE1 GLN A 45 20.026 -7.927 17.417 1.00 0.74 O ATOM 668 NE2 GLN A 45 18.505 -8.989 18.566 1.00 0.34 N ATOM 0 H GLN A 45 20.157 -10.156 13.972 1.00 0.23 H new ATOM 0 HA GLN A 45 22.729 -10.800 15.139 1.00 0.29 H new ATOM 0 HB2 GLN A 45 22.197 -10.607 17.460 1.00 0.30 H new ATOM 0 HB3 GLN A 45 21.770 -9.058 16.763 1.00 0.30 H new ATOM 0 HG2 GLN A 45 19.460 -10.664 16.400 1.00 0.28 H new ATOM 0 HG3 GLN A 45 20.027 -11.066 18.009 1.00 0.28 H new ATOM 0 HE21 GLN A 45 18.084 -9.874 18.847 1.00 0.34 H new ATOM 0 HE22 GLN A 45 18.129 -8.110 18.922 1.00 0.34 H new ATOM 677 N ASN A 46 21.675 -13.099 15.775 1.00 0.32 N ATOM 678 CA ASN A 46 21.061 -14.461 15.746 1.00 0.32 C ATOM 679 C ASN A 46 20.267 -14.691 17.031 1.00 0.28 C ATOM 680 O ASN A 46 20.802 -14.646 18.123 1.00 0.25 O ATOM 681 CB ASN A 46 22.150 -15.534 15.620 1.00 0.34 C ATOM 682 CG ASN A 46 23.402 -15.100 16.383 1.00 1.05 C ATOM 683 OD1 ASN A 46 23.440 -15.156 17.596 1.00 1.71 O ATOM 684 ND2 ASN A 46 24.433 -14.658 15.716 1.00 1.40 N ATOM 0 H ASN A 46 22.618 -13.052 16.162 1.00 0.32 H new ATOM 0 HA ASN A 46 20.396 -14.529 14.885 1.00 0.32 H new ATOM 0 HB2 ASN A 46 21.785 -16.483 16.014 1.00 0.34 H new ATOM 0 HB3 ASN A 46 22.392 -15.697 14.570 1.00 0.34 H new ATOM 0 HD21 ASN A 46 25.272 -14.359 16.213 1.00 1.40 H new ATOM 0 HD22 ASN A 46 24.400 -14.612 14.698 1.00 1.40 H new ATOM 691 N THR A 47 18.992 -14.939 16.912 1.00 0.29 N ATOM 692 CA THR A 47 18.164 -15.173 18.123 1.00 0.25 C ATOM 693 C THR A 47 17.110 -16.238 17.817 1.00 0.29 C ATOM 694 O THR A 47 16.691 -16.408 16.691 1.00 0.37 O ATOM 695 CB THR A 47 17.471 -13.871 18.526 1.00 0.25 C ATOM 696 OG1 THR A 47 16.555 -14.133 19.578 1.00 0.24 O ATOM 697 CG2 THR A 47 16.719 -13.298 17.324 1.00 0.29 C ATOM 0 H THR A 47 18.489 -14.989 16.026 1.00 0.29 H new ATOM 0 HA THR A 47 18.800 -15.513 18.940 1.00 0.25 H new ATOM 0 HB THR A 47 18.216 -13.150 18.862 1.00 0.25 H new ATOM 0 HG1 THR A 47 15.638 -14.044 19.243 1.00 0.24 H new ATOM 0 HG21 THR A 47 16.225 -12.370 17.612 1.00 0.29 H new ATOM 0 HG22 THR A 47 17.423 -13.099 16.516 1.00 0.29 H new ATOM 0 HG23 THR A 47 15.972 -14.016 16.986 1.00 0.29 H new ATOM 705 N LYS A 48 16.674 -16.945 18.819 1.00 0.27 N ATOM 706 CA LYS A 48 15.636 -17.997 18.616 1.00 0.32 C ATOM 707 C LYS A 48 14.300 -17.403 18.999 1.00 0.29 C ATOM 708 O LYS A 48 13.251 -17.817 18.546 1.00 0.49 O ATOM 709 CB LYS A 48 15.917 -19.179 19.541 1.00 0.38 C ATOM 710 CG LYS A 48 17.130 -19.961 19.048 1.00 0.43 C ATOM 711 CD LYS A 48 18.334 -19.037 18.851 1.00 2.92 C ATOM 712 CE LYS A 48 18.652 -18.303 20.159 1.00 5.09 C ATOM 713 NZ LYS A 48 19.879 -18.889 20.771 1.00 6.51 N ATOM 0 H LYS A 48 16.995 -16.840 19.782 1.00 0.27 H new ATOM 0 HA LYS A 48 15.640 -18.335 17.580 1.00 0.32 H new ATOM 0 HB2 LYS A 48 16.094 -18.821 20.555 1.00 0.38 H new ATOM 0 HB3 LYS A 48 15.046 -19.833 19.581 1.00 0.38 H new ATOM 0 HG2 LYS A 48 17.380 -20.742 19.766 1.00 0.43 H new ATOM 0 HG3 LYS A 48 16.890 -20.457 18.108 1.00 0.43 H new ATOM 0 HD2 LYS A 48 19.199 -19.617 18.530 1.00 2.92 H new ATOM 0 HD3 LYS A 48 18.124 -18.316 18.061 1.00 2.92 H new ATOM 0 HE2 LYS A 48 18.801 -17.241 19.966 1.00 5.09 H new ATOM 0 HE3 LYS A 48 17.813 -18.387 20.849 1.00 5.09 H new ATOM 0 HZ1 LYS A 48 20.096 -18.392 21.658 1.00 6.51 H new ATOM 0 HZ2 LYS A 48 19.720 -19.898 20.969 1.00 6.51 H new ATOM 0 HZ3 LYS A 48 20.678 -18.787 20.113 1.00 6.51 H new ATOM 727 N THR A 49 14.350 -16.435 19.853 1.00 0.37 N ATOM 728 CA THR A 49 13.114 -15.780 20.320 1.00 0.58 C ATOM 729 C THR A 49 13.052 -14.364 19.787 1.00 0.34 C ATOM 730 O THR A 49 14.027 -13.643 19.756 1.00 0.39 O ATOM 731 CB THR A 49 13.097 -15.760 21.838 1.00 0.98 C ATOM 732 OG1 THR A 49 14.331 -15.245 22.323 1.00 1.09 O ATOM 733 CG2 THR A 49 12.903 -17.187 22.323 1.00 1.40 C ATOM 0 H THR A 49 15.211 -16.063 20.254 1.00 0.37 H new ATOM 0 HA THR A 49 12.249 -16.335 19.956 1.00 0.58 H new ATOM 0 HB THR A 49 12.289 -15.125 22.203 1.00 0.98 H new ATOM 0 HG1 THR A 49 14.317 -15.231 23.303 1.00 1.09 H new ATOM 0 HG21 THR A 49 12.887 -17.202 23.413 1.00 1.40 H new ATOM 0 HG22 THR A 49 11.959 -17.576 21.941 1.00 1.40 H new ATOM 0 HG23 THR A 49 13.724 -17.808 21.964 1.00 1.40 H new ATOM 741 N ALA A 50 11.904 -13.970 19.363 1.00 0.43 N ATOM 742 CA ALA A 50 11.744 -12.608 18.818 1.00 0.26 C ATOM 743 C ALA A 50 10.387 -12.058 19.255 1.00 0.24 C ATOM 744 O ALA A 50 9.473 -12.807 19.539 1.00 0.42 O ATOM 745 CB ALA A 50 11.829 -12.672 17.299 1.00 0.47 C ATOM 0 H ALA A 50 11.056 -14.537 19.369 1.00 0.43 H new ATOM 0 HA ALA A 50 12.530 -11.951 19.190 1.00 0.26 H new ATOM 0 HB1 ALA A 50 11.712 -11.670 16.886 1.00 0.47 H new ATOM 0 HB2 ALA A 50 12.798 -13.075 17.005 1.00 0.47 H new ATOM 0 HB3 ALA A 50 11.038 -13.317 16.917 1.00 0.47 H new ATOM 751 N LYS A 51 10.246 -10.765 19.338 1.00 0.19 N ATOM 752 CA LYS A 51 8.940 -10.204 19.788 1.00 0.20 C ATOM 753 C LYS A 51 8.631 -8.890 19.071 1.00 0.22 C ATOM 754 O LYS A 51 9.488 -8.056 18.888 1.00 0.23 O ATOM 755 CB LYS A 51 9.019 -9.912 21.286 1.00 0.17 C ATOM 756 CG LYS A 51 8.575 -11.130 22.091 1.00 0.14 C ATOM 757 CD LYS A 51 7.855 -10.653 23.355 1.00 0.15 C ATOM 758 CE LYS A 51 8.475 -9.333 23.832 1.00 0.17 C ATOM 759 NZ LYS A 51 8.463 -9.295 25.322 1.00 0.40 N ATOM 0 H LYS A 51 10.968 -10.079 19.117 1.00 0.19 H new ATOM 0 HA LYS A 51 8.159 -10.930 19.563 1.00 0.20 H new ATOM 0 HB2 LYS A 51 10.040 -9.642 21.557 1.00 0.17 H new ATOM 0 HB3 LYS A 51 8.388 -9.057 21.530 1.00 0.17 H new ATOM 0 HG2 LYS A 51 7.912 -11.756 21.493 1.00 0.14 H new ATOM 0 HG3 LYS A 51 9.437 -11.741 22.356 1.00 0.14 H new ATOM 0 HD2 LYS A 51 6.793 -10.515 23.151 1.00 0.15 H new ATOM 0 HD3 LYS A 51 7.934 -11.408 24.138 1.00 0.15 H new ATOM 0 HE2 LYS A 51 9.496 -9.243 23.462 1.00 0.17 H new ATOM 0 HE3 LYS A 51 7.915 -8.488 23.430 1.00 0.17 H new ATOM 0 HZ1 LYS A 51 8.883 -8.402 25.650 1.00 0.40 H new ATOM 0 HZ2 LYS A 51 7.483 -9.363 25.663 1.00 0.40 H new ATOM 0 HZ3 LYS A 51 9.015 -10.094 25.694 1.00 0.40 H new ATOM 773 N ILE A 52 7.399 -8.670 18.713 1.00 0.23 N ATOM 774 CA ILE A 52 7.052 -7.378 18.067 1.00 0.23 C ATOM 775 C ILE A 52 6.556 -6.440 19.168 1.00 0.23 C ATOM 776 O ILE A 52 6.055 -6.879 20.183 1.00 0.22 O ATOM 777 CB ILE A 52 5.964 -7.576 17.007 1.00 0.24 C ATOM 778 CG1 ILE A 52 5.525 -6.210 16.480 1.00 0.25 C ATOM 779 CG2 ILE A 52 4.765 -8.292 17.622 1.00 0.25 C ATOM 780 CD1 ILE A 52 4.618 -6.400 15.265 1.00 0.45 C ATOM 0 H ILE A 52 6.625 -9.322 18.838 1.00 0.23 H new ATOM 0 HA ILE A 52 7.923 -6.959 17.564 1.00 0.23 H new ATOM 0 HB ILE A 52 6.359 -8.179 16.190 1.00 0.24 H new ATOM 0 HG12 ILE A 52 4.997 -5.660 17.259 1.00 0.25 H new ATOM 0 HG13 ILE A 52 6.397 -5.616 16.207 1.00 0.25 H new ATOM 0 HG21 ILE A 52 3.995 -8.430 16.863 1.00 0.25 H new ATOM 0 HG22 ILE A 52 5.078 -9.264 18.002 1.00 0.25 H new ATOM 0 HG23 ILE A 52 4.365 -7.694 18.441 1.00 0.25 H new ATOM 0 HD11 ILE A 52 4.305 -5.426 14.889 1.00 0.45 H new ATOM 0 HD12 ILE A 52 5.162 -6.932 14.485 1.00 0.45 H new ATOM 0 HD13 ILE A 52 3.740 -6.977 15.553 1.00 0.45 H new ATOM 792 N GLU A 53 6.714 -5.160 19.000 1.00 0.26 N ATOM 793 CA GLU A 53 6.275 -4.223 20.072 1.00 0.26 C ATOM 794 C GLU A 53 5.631 -2.984 19.456 1.00 0.25 C ATOM 795 O GLU A 53 6.262 -2.230 18.745 1.00 0.28 O ATOM 796 CB GLU A 53 7.496 -3.796 20.892 1.00 0.27 C ATOM 797 CG GLU A 53 7.323 -4.233 22.347 1.00 0.28 C ATOM 798 CD GLU A 53 8.508 -3.728 23.174 1.00 0.30 C ATOM 799 OE1 GLU A 53 8.484 -2.570 23.559 1.00 0.34 O ATOM 800 OE2 GLU A 53 9.419 -4.505 23.404 1.00 0.39 O ATOM 0 H GLU A 53 7.124 -4.722 18.175 1.00 0.26 H new ATOM 0 HA GLU A 53 5.547 -4.724 20.710 1.00 0.26 H new ATOM 0 HB2 GLU A 53 8.399 -4.241 20.474 1.00 0.27 H new ATOM 0 HB3 GLU A 53 7.620 -2.714 20.840 1.00 0.27 H new ATOM 0 HG2 GLU A 53 6.390 -3.837 22.749 1.00 0.28 H new ATOM 0 HG3 GLU A 53 7.260 -5.320 22.407 1.00 0.28 H new ATOM 807 N ILE A 54 4.385 -2.752 19.738 1.00 0.21 N ATOM 808 CA ILE A 54 3.722 -1.550 19.175 1.00 0.21 C ATOM 809 C ILE A 54 3.283 -0.636 20.316 1.00 0.25 C ATOM 810 O ILE A 54 2.433 -0.985 21.110 1.00 0.29 O ATOM 811 CB ILE A 54 2.486 -1.965 18.387 1.00 0.20 C ATOM 812 CG1 ILE A 54 2.812 -3.185 17.530 1.00 0.20 C ATOM 813 CG2 ILE A 54 2.045 -0.808 17.500 1.00 0.20 C ATOM 814 CD1 ILE A 54 2.721 -4.436 18.402 1.00 0.27 C ATOM 0 H ILE A 54 3.799 -3.339 20.331 1.00 0.21 H new ATOM 0 HA ILE A 54 4.422 -1.031 18.520 1.00 0.21 H new ATOM 0 HB ILE A 54 1.679 -2.220 19.074 1.00 0.20 H new ATOM 0 HG12 ILE A 54 2.116 -3.256 16.694 1.00 0.20 H new ATOM 0 HG13 ILE A 54 3.812 -3.092 17.106 1.00 0.20 H new ATOM 0 HG21 ILE A 54 1.161 -1.100 16.934 1.00 0.20 H new ATOM 0 HG22 ILE A 54 1.809 0.057 18.120 1.00 0.20 H new ATOM 0 HG23 ILE A 54 2.849 -0.551 16.810 1.00 0.20 H new ATOM 0 HD11 ILE A 54 2.952 -5.316 17.801 1.00 0.27 H new ATOM 0 HD12 ILE A 54 3.434 -4.360 19.223 1.00 0.27 H new ATOM 0 HD13 ILE A 54 1.712 -4.526 18.805 1.00 0.27 H new ATOM 826 N LYS A 55 3.841 0.534 20.398 1.00 0.26 N ATOM 827 CA LYS A 55 3.439 1.467 21.482 1.00 0.31 C ATOM 828 C LYS A 55 2.787 2.690 20.849 1.00 0.35 C ATOM 829 O LYS A 55 3.002 2.983 19.694 1.00 0.76 O ATOM 830 CB LYS A 55 4.674 1.883 22.273 1.00 0.29 C ATOM 831 CG LYS A 55 5.169 0.685 23.078 1.00 0.22 C ATOM 832 CD LYS A 55 6.191 1.151 24.114 1.00 0.21 C ATOM 833 CE LYS A 55 7.243 0.060 24.319 1.00 0.52 C ATOM 834 NZ LYS A 55 7.052 -0.567 25.656 1.00 2.09 N ATOM 0 H LYS A 55 4.557 0.886 19.763 1.00 0.26 H new ATOM 0 HA LYS A 55 2.734 0.984 22.158 1.00 0.31 H new ATOM 0 HB2 LYS A 55 5.455 2.232 21.597 1.00 0.29 H new ATOM 0 HB3 LYS A 55 4.434 2.712 22.939 1.00 0.29 H new ATOM 0 HG2 LYS A 55 4.331 0.196 23.574 1.00 0.22 H new ATOM 0 HG3 LYS A 55 5.620 -0.052 22.413 1.00 0.22 H new ATOM 0 HD2 LYS A 55 6.668 2.073 23.781 1.00 0.21 H new ATOM 0 HD3 LYS A 55 5.693 1.373 25.058 1.00 0.21 H new ATOM 0 HE2 LYS A 55 7.158 -0.694 23.536 1.00 0.52 H new ATOM 0 HE3 LYS A 55 8.244 0.486 24.244 1.00 0.52 H new ATOM 0 HZ1 LYS A 55 7.767 -1.309 25.797 1.00 2.09 H new ATOM 0 HZ2 LYS A 55 7.154 0.156 26.396 1.00 2.09 H new ATOM 0 HZ3 LYS A 55 6.102 -0.987 25.710 1.00 2.09 H new ATOM 848 N ALA A 56 1.982 3.403 21.574 1.00 0.35 N ATOM 849 CA ALA A 56 1.326 4.591 20.961 1.00 0.32 C ATOM 850 C ALA A 56 1.426 5.798 21.890 1.00 0.30 C ATOM 851 O ALA A 56 0.992 5.763 23.021 1.00 0.29 O ATOM 852 CB ALA A 56 -0.146 4.277 20.695 1.00 0.30 C ATOM 0 H ALA A 56 1.749 3.223 22.551 1.00 0.35 H new ATOM 0 HA ALA A 56 1.832 4.826 20.025 1.00 0.32 H new ATOM 0 HB1 ALA A 56 -0.628 5.146 20.246 1.00 0.30 H new ATOM 0 HB2 ALA A 56 -0.220 3.429 20.014 1.00 0.30 H new ATOM 0 HB3 ALA A 56 -0.641 4.032 21.635 1.00 0.30 H new ATOM 858 N SER A 57 1.978 6.876 21.407 1.00 0.40 N ATOM 859 CA SER A 57 2.092 8.100 22.247 1.00 0.38 C ATOM 860 C SER A 57 0.839 8.951 22.035 1.00 0.32 C ATOM 861 O SER A 57 0.271 8.974 20.960 1.00 0.35 O ATOM 862 CB SER A 57 3.331 8.892 21.827 1.00 0.41 C ATOM 863 OG SER A 57 4.460 8.029 21.827 1.00 2.90 O ATOM 0 H SER A 57 2.356 6.962 20.464 1.00 0.40 H new ATOM 0 HA SER A 57 2.184 7.829 23.299 1.00 0.38 H new ATOM 0 HB2 SER A 57 3.185 9.319 20.835 1.00 0.41 H new ATOM 0 HB3 SER A 57 3.495 9.724 22.512 1.00 0.41 H new ATOM 0 HG SER A 57 5.256 8.532 21.557 1.00 2.90 H new ATOM 869 N LEU A 58 0.390 9.639 23.047 1.00 0.28 N ATOM 870 CA LEU A 58 -0.839 10.469 22.892 1.00 0.22 C ATOM 871 C LEU A 58 -0.486 11.952 23.007 1.00 0.40 C ATOM 872 O LEU A 58 -1.124 12.703 23.719 1.00 0.43 O ATOM 873 CB LEU A 58 -1.831 10.093 23.986 1.00 0.28 C ATOM 874 CG LEU A 58 -1.877 8.569 24.114 1.00 0.35 C ATOM 875 CD1 LEU A 58 -2.706 8.176 25.338 1.00 0.61 C ATOM 876 CD2 LEU A 58 -2.510 7.972 22.855 1.00 0.35 C ATOM 0 H LEU A 58 0.818 9.663 23.972 1.00 0.28 H new ATOM 0 HA LEU A 58 -1.280 10.287 21.912 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -1.534 10.542 24.934 1.00 0.28 H new ATOM 0 HB3 LEU A 58 -2.821 10.481 23.746 1.00 0.28 H new ATOM 0 HG LEU A 58 -0.863 8.187 24.230 1.00 0.35 H new ATOM 0 HD11 LEU A 58 -2.735 7.090 25.424 1.00 0.61 H new ATOM 0 HD12 LEU A 58 -2.254 8.599 26.235 1.00 0.61 H new ATOM 0 HD13 LEU A 58 -3.721 8.559 25.228 1.00 0.61 H new ATOM 0 HD21 LEU A 58 -2.544 6.886 22.944 1.00 0.35 H new ATOM 0 HD22 LEU A 58 -3.523 8.358 22.739 1.00 0.35 H new ATOM 0 HD23 LEU A 58 -1.915 8.246 21.984 1.00 0.35 H new ATOM 888 N ASP A 59 0.523 12.376 22.304 1.00 0.58 N ATOM 889 CA ASP A 59 0.926 13.811 22.355 1.00 0.76 C ATOM 890 C ASP A 59 1.253 14.209 23.798 1.00 0.86 C ATOM 891 O ASP A 59 1.338 15.378 24.120 1.00 1.04 O ATOM 892 CB ASP A 59 -0.221 14.683 21.845 1.00 0.99 C ATOM 893 CG ASP A 59 0.268 15.532 20.669 1.00 0.55 C ATOM 894 OD1 ASP A 59 1.471 15.642 20.503 1.00 0.40 O ATOM 895 OD2 ASP A 59 -0.571 16.058 19.956 1.00 0.67 O ATOM 0 H ASP A 59 1.091 11.790 21.692 1.00 0.58 H new ATOM 0 HA ASP A 59 1.807 13.955 21.729 1.00 0.76 H new ATOM 0 HB2 ASP A 59 -1.057 14.057 21.533 1.00 0.99 H new ATOM 0 HB3 ASP A 59 -0.586 15.327 22.645 1.00 0.99 H new ATOM 900 N GLY A 60 1.434 13.255 24.670 1.00 0.78 N ATOM 901 CA GLY A 60 1.750 13.599 26.085 1.00 0.91 C ATOM 902 C GLY A 60 1.739 12.334 26.945 1.00 0.86 C ATOM 903 O GLY A 60 2.582 12.147 27.800 1.00 1.03 O ATOM 0 H GLY A 60 1.377 12.257 24.465 1.00 0.78 H new ATOM 0 HA2 GLY A 60 2.727 14.079 26.142 1.00 0.91 H new ATOM 0 HA3 GLY A 60 1.021 14.314 26.466 1.00 0.91 H new ATOM 907 N LEU A 61 0.790 11.465 26.730 1.00 0.69 N ATOM 908 CA LEU A 61 0.730 10.219 27.542 1.00 0.71 C ATOM 909 C LEU A 61 1.174 9.035 26.684 1.00 0.64 C ATOM 910 O LEU A 61 0.493 8.636 25.762 1.00 0.54 O ATOM 911 CB LEU A 61 -0.709 9.997 28.022 1.00 0.66 C ATOM 912 CG LEU A 61 -0.934 8.517 28.335 1.00 0.67 C ATOM 913 CD1 LEU A 61 -0.044 8.095 29.506 1.00 0.84 C ATOM 914 CD2 LEU A 61 -2.400 8.295 28.708 1.00 0.72 C ATOM 0 H LEU A 61 0.056 11.564 26.029 1.00 0.69 H new ATOM 0 HA LEU A 61 1.390 10.309 28.405 1.00 0.71 H new ATOM 0 HB2 LEU A 61 -0.901 10.598 28.911 1.00 0.66 H new ATOM 0 HB3 LEU A 61 -1.411 10.326 27.256 1.00 0.66 H new ATOM 0 HG LEU A 61 -0.683 7.921 27.458 1.00 0.67 H new ATOM 0 HD11 LEU A 61 -0.208 7.040 29.726 1.00 0.84 H new ATOM 0 HD12 LEU A 61 1.002 8.253 29.243 1.00 0.84 H new ATOM 0 HD13 LEU A 61 -0.292 8.691 30.384 1.00 0.84 H new ATOM 0 HD21 LEU A 61 -2.563 7.241 28.932 1.00 0.72 H new ATOM 0 HD22 LEU A 61 -2.647 8.894 29.584 1.00 0.72 H new ATOM 0 HD23 LEU A 61 -3.036 8.592 27.874 1.00 0.72 H new ATOM 926 N GLU A 62 2.307 8.465 26.985 1.00 0.70 N ATOM 927 CA GLU A 62 2.786 7.301 26.191 1.00 0.65 C ATOM 928 C GLU A 62 2.133 6.033 26.736 1.00 0.64 C ATOM 929 O GLU A 62 2.058 5.825 27.930 1.00 0.68 O ATOM 930 CB GLU A 62 4.305 7.197 26.312 1.00 0.68 C ATOM 931 CG GLU A 62 4.837 6.207 25.274 1.00 0.24 C ATOM 932 CD GLU A 62 6.343 6.418 25.094 1.00 0.15 C ATOM 933 OE1 GLU A 62 6.994 6.758 26.070 1.00 0.23 O ATOM 934 OE2 GLU A 62 6.819 6.238 23.986 1.00 0.20 O ATOM 0 H GLU A 62 2.921 8.755 27.746 1.00 0.70 H new ATOM 0 HA GLU A 62 2.521 7.427 25.141 1.00 0.65 H new ATOM 0 HB2 GLU A 62 4.760 8.176 26.162 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.578 6.869 27.315 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.638 5.185 25.595 1.00 0.24 H new ATOM 0 HG3 GLU A 62 4.323 6.349 24.323 1.00 0.24 H new ATOM 941 N ILE A 63 1.641 5.193 25.872 1.00 0.60 N ATOM 942 CA ILE A 63 0.978 3.961 26.330 1.00 0.59 C ATOM 943 C ILE A 63 1.635 2.753 25.674 1.00 0.59 C ATOM 944 O ILE A 63 2.351 2.860 24.698 1.00 0.60 O ATOM 945 CB ILE A 63 -0.472 4.004 25.878 1.00 0.61 C ATOM 946 CG1 ILE A 63 -1.239 5.089 26.637 1.00 0.57 C ATOM 947 CG2 ILE A 63 -1.119 2.656 26.110 1.00 0.58 C ATOM 948 CD1 ILE A 63 -2.655 5.202 26.065 1.00 0.75 C ATOM 0 H ILE A 63 1.674 5.316 24.860 1.00 0.60 H new ATOM 0 HA ILE A 63 1.054 3.886 27.415 1.00 0.59 H new ATOM 0 HB ILE A 63 -0.501 4.240 24.814 1.00 0.61 H new ATOM 0 HG12 ILE A 63 -1.282 4.845 27.699 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -0.722 6.045 26.550 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -2.159 2.691 25.785 1.00 0.58 H new ATOM 0 HG22 ILE A 63 -0.586 1.894 25.541 1.00 0.58 H new ATOM 0 HG23 ILE A 63 -1.079 2.411 27.171 1.00 0.58 H new ATOM 0 HD11 ILE A 63 -3.204 5.974 26.604 1.00 0.75 H new ATOM 0 HD12 ILE A 63 -2.601 5.465 25.009 1.00 0.75 H new ATOM 0 HD13 ILE A 63 -3.169 4.247 26.175 1.00 0.75 H new ATOM 960 N ASP A 64 1.343 1.603 26.181 1.00 0.59 N ATOM 961 CA ASP A 64 1.875 0.349 25.587 1.00 0.59 C ATOM 962 C ASP A 64 0.673 -0.423 25.064 1.00 0.63 C ATOM 963 O ASP A 64 -0.137 -0.909 25.823 1.00 1.21 O ATOM 964 CB ASP A 64 2.605 -0.474 26.653 1.00 0.56 C ATOM 965 CG ASP A 64 3.240 0.465 27.682 1.00 0.80 C ATOM 966 OD1 ASP A 64 3.625 1.558 27.299 1.00 1.08 O ATOM 967 OD2 ASP A 64 3.328 0.077 28.835 1.00 0.99 O ATOM 0 H ASP A 64 0.747 1.469 26.998 1.00 0.59 H new ATOM 0 HA ASP A 64 2.587 0.562 24.790 1.00 0.59 H new ATOM 0 HB2 ASP A 64 1.907 -1.151 27.146 1.00 0.56 H new ATOM 0 HB3 ASP A 64 3.373 -1.092 26.187 1.00 0.56 H new ATOM 972 N VAL A 65 0.522 -0.501 23.778 1.00 0.26 N ATOM 973 CA VAL A 65 -0.664 -1.197 23.212 1.00 0.28 C ATOM 974 C VAL A 65 -0.535 -2.719 23.366 1.00 0.34 C ATOM 975 O VAL A 65 0.322 -3.333 22.763 1.00 0.34 O ATOM 976 CB VAL A 65 -0.780 -0.823 21.742 1.00 0.31 C ATOM 977 CG1 VAL A 65 -2.213 -1.076 21.267 1.00 0.40 C ATOM 978 CG2 VAL A 65 -0.447 0.668 21.592 1.00 0.17 C ATOM 0 H VAL A 65 1.168 -0.113 23.091 1.00 0.26 H new ATOM 0 HA VAL A 65 -1.559 -0.888 23.752 1.00 0.28 H new ATOM 0 HB VAL A 65 -0.092 -1.422 21.145 1.00 0.31 H new ATOM 0 HG11 VAL A 65 -2.300 -0.809 20.214 1.00 0.40 H new ATOM 0 HG12 VAL A 65 -2.458 -2.130 21.395 1.00 0.40 H new ATOM 0 HG13 VAL A 65 -2.903 -0.469 21.853 1.00 0.40 H new ATOM 0 HG21 VAL A 65 -0.525 0.955 20.543 1.00 0.17 H new ATOM 0 HG22 VAL A 65 -1.147 1.258 22.183 1.00 0.17 H new ATOM 0 HG23 VAL A 65 0.568 0.851 21.944 1.00 0.17 H new ATOM 988 N PRO A 66 -1.405 -3.281 24.176 1.00 0.46 N ATOM 989 CA PRO A 66 -1.431 -4.729 24.444 1.00 0.50 C ATOM 990 C PRO A 66 -2.212 -5.447 23.340 1.00 0.38 C ATOM 991 O PRO A 66 -2.399 -4.927 22.259 1.00 0.29 O ATOM 992 CB PRO A 66 -2.181 -4.831 25.776 1.00 0.68 C ATOM 993 CG PRO A 66 -3.028 -3.540 25.901 1.00 0.72 C ATOM 994 CD PRO A 66 -2.437 -2.523 24.907 1.00 0.59 C ATOM 0 HA PRO A 66 -0.440 -5.181 24.478 1.00 0.50 H new ATOM 0 HB2 PRO A 66 -2.817 -5.716 25.797 1.00 0.68 H new ATOM 0 HB3 PRO A 66 -1.483 -4.920 26.609 1.00 0.68 H new ATOM 0 HG2 PRO A 66 -4.075 -3.741 25.672 1.00 0.72 H new ATOM 0 HG3 PRO A 66 -2.993 -3.151 26.919 1.00 0.72 H new ATOM 0 HD2 PRO A 66 -3.201 -2.138 24.231 1.00 0.59 H new ATOM 0 HD3 PRO A 66 -2.008 -1.665 25.425 1.00 0.59 H new ATOM 1002 N GLY A 67 -2.684 -6.633 23.611 1.00 0.41 N ATOM 1003 CA GLY A 67 -3.466 -7.375 22.584 1.00 0.36 C ATOM 1004 C GLY A 67 -2.632 -7.548 21.315 1.00 0.26 C ATOM 1005 O GLY A 67 -3.159 -7.786 20.247 1.00 0.30 O ATOM 0 H GLY A 67 -2.562 -7.119 24.499 1.00 0.41 H new ATOM 0 HA2 GLY A 67 -3.758 -8.351 22.973 1.00 0.36 H new ATOM 0 HA3 GLY A 67 -4.385 -6.835 22.354 1.00 0.36 H new ATOM 1009 N ILE A 68 -1.338 -7.441 21.420 1.00 0.21 N ATOM 1010 CA ILE A 68 -0.487 -7.614 20.210 1.00 0.17 C ATOM 1011 C ILE A 68 0.215 -8.971 20.282 1.00 0.18 C ATOM 1012 O ILE A 68 -0.148 -9.827 21.065 1.00 0.22 O ATOM 1013 CB ILE A 68 0.554 -6.499 20.143 1.00 0.21 C ATOM 1014 CG1 ILE A 68 1.516 -6.651 21.318 1.00 0.17 C ATOM 1015 CG2 ILE A 68 -0.148 -5.142 20.216 1.00 0.25 C ATOM 1016 CD1 ILE A 68 2.625 -5.603 21.222 1.00 0.33 C ATOM 0 H ILE A 68 -0.835 -7.243 22.285 1.00 0.21 H new ATOM 0 HA ILE A 68 -1.110 -7.569 19.317 1.00 0.17 H new ATOM 0 HB ILE A 68 1.109 -6.561 19.207 1.00 0.21 H new ATOM 0 HG12 ILE A 68 0.976 -6.537 22.258 1.00 0.17 H new ATOM 0 HG13 ILE A 68 1.948 -7.652 21.318 1.00 0.17 H new ATOM 0 HG21 ILE A 68 0.594 -4.345 20.168 1.00 0.25 H new ATOM 0 HG22 ILE A 68 -0.839 -5.044 19.379 1.00 0.25 H new ATOM 0 HG23 ILE A 68 -0.700 -5.068 21.153 1.00 0.25 H new ATOM 0 HD11 ILE A 68 3.308 -5.718 22.064 1.00 0.33 H new ATOM 0 HD12 ILE A 68 3.173 -5.738 20.289 1.00 0.33 H new ATOM 0 HD13 ILE A 68 2.186 -4.606 21.244 1.00 0.33 H new ATOM 1028 N ASP A 69 1.209 -9.183 19.463 1.00 0.20 N ATOM 1029 CA ASP A 69 1.918 -10.494 19.479 1.00 0.20 C ATOM 1030 C ASP A 69 3.280 -10.345 20.151 1.00 0.18 C ATOM 1031 O ASP A 69 4.206 -9.803 19.586 1.00 0.13 O ATOM 1032 CB ASP A 69 2.120 -10.985 18.043 1.00 0.20 C ATOM 1033 CG ASP A 69 3.228 -12.039 18.014 1.00 0.60 C ATOM 1034 OD1 ASP A 69 3.022 -13.104 18.570 1.00 0.59 O ATOM 1035 OD2 ASP A 69 4.265 -11.761 17.434 1.00 1.24 O ATOM 0 H ASP A 69 1.560 -8.507 18.785 1.00 0.20 H new ATOM 0 HA ASP A 69 1.317 -11.213 20.036 1.00 0.20 H new ATOM 0 HB2 ASP A 69 1.192 -11.407 17.658 1.00 0.20 H new ATOM 0 HB3 ASP A 69 2.382 -10.149 17.395 1.00 0.20 H new ATOM 1040 N THR A 70 3.416 -10.840 21.347 1.00 0.22 N ATOM 1041 CA THR A 70 4.728 -10.746 22.045 1.00 0.19 C ATOM 1042 C THR A 70 5.580 -11.949 21.634 1.00 0.14 C ATOM 1043 O THR A 70 6.164 -12.627 22.455 1.00 0.16 O ATOM 1044 CB THR A 70 4.498 -10.755 23.557 1.00 0.27 C ATOM 1045 OG1 THR A 70 3.346 -11.534 23.851 1.00 0.39 O ATOM 1046 CG2 THR A 70 4.285 -9.321 24.046 1.00 0.36 C ATOM 0 H THR A 70 2.676 -11.306 21.872 1.00 0.22 H new ATOM 0 HA THR A 70 5.240 -9.823 21.774 1.00 0.19 H new ATOM 0 HB THR A 70 5.366 -11.184 24.059 1.00 0.27 H new ATOM 0 HG1 THR A 70 3.196 -11.544 24.819 1.00 0.39 H new ATOM 0 HG21 THR A 70 4.121 -9.325 25.124 1.00 0.36 H new ATOM 0 HG22 THR A 70 5.167 -8.723 23.815 1.00 0.36 H new ATOM 0 HG23 THR A 70 3.415 -8.892 23.548 1.00 0.36 H new ATOM 1054 N ASN A 71 5.638 -12.214 20.356 1.00 0.11 N ATOM 1055 CA ASN A 71 6.424 -13.367 19.839 1.00 0.17 C ATOM 1056 C ASN A 71 6.208 -13.433 18.324 1.00 0.22 C ATOM 1057 O ASN A 71 5.322 -14.111 17.841 1.00 0.34 O ATOM 1058 CB ASN A 71 5.922 -14.653 20.499 1.00 0.26 C ATOM 1059 CG ASN A 71 6.883 -15.804 20.198 1.00 0.40 C ATOM 1060 OD1 ASN A 71 6.739 -16.482 19.200 1.00 1.45 O ATOM 1061 ND2 ASN A 71 7.861 -16.056 21.024 1.00 1.62 N ATOM 0 H ASN A 71 5.164 -11.668 19.637 1.00 0.11 H new ATOM 0 HA ASN A 71 7.485 -13.251 20.063 1.00 0.17 H new ATOM 0 HB2 ASN A 71 5.839 -14.510 21.576 1.00 0.26 H new ATOM 0 HB3 ASN A 71 4.925 -14.895 20.131 1.00 0.26 H new ATOM 0 HD21 ASN A 71 8.506 -16.823 20.832 1.00 1.62 H new ATOM 0 HD22 ASN A 71 7.981 -15.486 21.861 1.00 1.62 H new ATOM 1068 N ALA A 72 6.987 -12.697 17.574 1.00 0.23 N ATOM 1069 CA ALA A 72 6.805 -12.670 16.090 1.00 0.31 C ATOM 1070 C ALA A 72 7.283 -13.969 15.427 1.00 0.35 C ATOM 1071 O ALA A 72 7.339 -14.061 14.221 1.00 0.24 O ATOM 1072 CB ALA A 72 7.583 -11.491 15.511 1.00 0.35 C ATOM 0 H ALA A 72 7.744 -12.111 17.926 1.00 0.23 H new ATOM 0 HA ALA A 72 5.739 -12.566 15.885 1.00 0.31 H new ATOM 0 HB1 ALA A 72 7.454 -11.466 14.429 1.00 0.35 H new ATOM 0 HB2 ALA A 72 7.210 -10.562 15.942 1.00 0.35 H new ATOM 0 HB3 ALA A 72 8.641 -11.602 15.748 1.00 0.35 H new ATOM 1078 N CYS A 73 7.622 -14.970 16.186 1.00 0.56 N ATOM 1079 CA CYS A 73 8.077 -16.254 15.576 1.00 0.62 C ATOM 1080 C CYS A 73 6.920 -16.888 14.797 1.00 0.50 C ATOM 1081 O CYS A 73 7.108 -17.817 14.034 1.00 0.47 O ATOM 1082 CB CYS A 73 8.506 -17.217 16.682 1.00 0.92 C ATOM 1083 SG CYS A 73 10.256 -16.975 17.055 1.00 2.14 S ATOM 0 H CYS A 73 7.605 -14.957 17.206 1.00 0.56 H new ATOM 0 HA CYS A 73 8.914 -16.057 14.906 1.00 0.62 H new ATOM 0 HB2 CYS A 73 7.907 -17.048 17.577 1.00 0.92 H new ATOM 0 HB3 CYS A 73 8.330 -18.246 16.370 1.00 0.92 H new ATOM 1088 N HIS A 74 5.724 -16.406 14.994 1.00 0.52 N ATOM 1089 CA HIS A 74 4.553 -16.994 14.277 1.00 0.58 C ATOM 1090 C HIS A 74 4.457 -16.406 12.870 1.00 0.46 C ATOM 1091 O HIS A 74 3.754 -16.915 12.018 1.00 0.63 O ATOM 1092 CB HIS A 74 3.276 -16.674 15.056 1.00 0.70 C ATOM 1093 CG HIS A 74 3.192 -17.575 16.256 1.00 0.33 C ATOM 1094 ND1 HIS A 74 1.983 -17.951 16.817 1.00 0.14 N ATOM 1095 CD2 HIS A 74 4.163 -18.190 17.008 1.00 0.53 C ATOM 1096 CE1 HIS A 74 2.254 -18.757 17.860 1.00 0.50 C ATOM 1097 NE2 HIS A 74 3.568 -18.937 18.020 1.00 0.74 N ATOM 0 H HIS A 74 5.505 -15.631 15.620 1.00 0.52 H new ATOM 0 HA HIS A 74 4.677 -18.074 14.202 1.00 0.58 H new ATOM 0 HB2 HIS A 74 3.279 -15.630 15.369 1.00 0.70 H new ATOM 0 HB3 HIS A 74 2.402 -16.814 14.419 1.00 0.70 H new ATOM 0 HD2 HIS A 74 5.226 -18.106 16.839 1.00 0.53 H new ATOM 0 HE1 HIS A 74 1.500 -19.204 18.491 1.00 0.50 H new ATOM 0 HE2 HIS A 74 4.035 -19.501 18.731 1.00 0.74 H new ATOM 1105 N PHE A 75 5.152 -15.338 12.619 1.00 0.27 N ATOM 1106 CA PHE A 75 5.101 -14.713 11.270 1.00 0.30 C ATOM 1107 C PHE A 75 6.511 -14.663 10.679 1.00 0.33 C ATOM 1108 O PHE A 75 6.695 -14.448 9.497 1.00 0.65 O ATOM 1109 CB PHE A 75 4.538 -13.301 11.406 1.00 0.21 C ATOM 1110 CG PHE A 75 3.286 -13.352 12.248 1.00 0.17 C ATOM 1111 CD1 PHE A 75 2.106 -13.886 11.715 1.00 0.22 C ATOM 1112 CD2 PHE A 75 3.308 -12.877 13.564 1.00 0.16 C ATOM 1113 CE1 PHE A 75 0.948 -13.943 12.500 1.00 0.28 C ATOM 1114 CE2 PHE A 75 2.149 -12.933 14.349 1.00 0.16 C ATOM 1115 CZ PHE A 75 0.969 -13.467 13.816 1.00 0.25 C ATOM 0 H PHE A 75 5.757 -14.867 13.292 1.00 0.27 H new ATOM 0 HA PHE A 75 4.463 -15.298 10.607 1.00 0.30 H new ATOM 0 HB2 PHE A 75 5.276 -12.644 11.867 1.00 0.21 H new ATOM 0 HB3 PHE A 75 4.314 -12.888 10.422 1.00 0.21 H new ATOM 0 HD1 PHE A 75 2.089 -14.253 10.700 1.00 0.22 H new ATOM 0 HD2 PHE A 75 4.219 -12.467 13.975 1.00 0.16 H new ATOM 0 HE1 PHE A 75 0.038 -14.355 12.090 1.00 0.28 H new ATOM 0 HE2 PHE A 75 2.165 -12.565 15.364 1.00 0.16 H new ATOM 0 HZ PHE A 75 0.075 -13.511 14.421 1.00 0.25 H new ATOM 1125 N VAL A 76 7.510 -14.876 11.491 1.00 0.16 N ATOM 1126 CA VAL A 76 8.908 -14.861 10.980 1.00 0.26 C ATOM 1127 C VAL A 76 9.536 -16.234 11.235 1.00 0.23 C ATOM 1128 O VAL A 76 9.036 -17.021 12.013 1.00 0.16 O ATOM 1129 CB VAL A 76 9.720 -13.765 11.681 1.00 0.36 C ATOM 1130 CG1 VAL A 76 8.852 -12.536 11.918 1.00 0.35 C ATOM 1131 CG2 VAL A 76 10.258 -14.293 13.012 1.00 0.38 C ATOM 0 H VAL A 76 7.417 -15.060 12.490 1.00 0.16 H new ATOM 0 HA VAL A 76 8.908 -14.649 9.911 1.00 0.26 H new ATOM 0 HB VAL A 76 10.558 -13.482 11.044 1.00 0.36 H new ATOM 0 HG11 VAL A 76 9.440 -11.766 12.416 1.00 0.35 H new ATOM 0 HG12 VAL A 76 8.491 -12.156 10.962 1.00 0.35 H new ATOM 0 HG13 VAL A 76 8.002 -12.806 12.545 1.00 0.35 H new ATOM 0 HG21 VAL A 76 10.834 -13.512 13.507 1.00 0.38 H new ATOM 0 HG22 VAL A 76 9.425 -14.589 13.650 1.00 0.38 H new ATOM 0 HG23 VAL A 76 10.899 -15.156 12.829 1.00 0.38 H new ATOM 1141 N LYS A 77 10.612 -16.537 10.566 1.00 0.33 N ATOM 1142 CA LYS A 77 11.254 -17.872 10.749 1.00 0.32 C ATOM 1143 C LYS A 77 12.407 -17.797 11.753 1.00 0.34 C ATOM 1144 O LYS A 77 13.556 -17.696 11.381 1.00 0.34 O ATOM 1145 CB LYS A 77 11.807 -18.392 9.412 1.00 0.31 C ATOM 1146 CG LYS A 77 11.955 -17.257 8.389 1.00 0.27 C ATOM 1147 CD LYS A 77 12.234 -17.844 7.007 1.00 1.93 C ATOM 1148 CE LYS A 77 13.678 -18.343 6.945 1.00 3.71 C ATOM 1149 NZ LYS A 77 14.594 -17.184 6.743 1.00 5.77 N ATOM 0 H LYS A 77 11.076 -15.920 9.900 1.00 0.33 H new ATOM 0 HA LYS A 77 10.489 -18.550 11.126 1.00 0.32 H new ATOM 0 HB2 LYS A 77 12.775 -18.865 9.576 1.00 0.31 H new ATOM 0 HB3 LYS A 77 11.141 -19.158 9.014 1.00 0.31 H new ATOM 0 HG2 LYS A 77 11.046 -16.657 8.363 1.00 0.27 H new ATOM 0 HG3 LYS A 77 12.767 -16.592 8.683 1.00 0.27 H new ATOM 0 HD2 LYS A 77 11.546 -18.664 6.803 1.00 1.93 H new ATOM 0 HD3 LYS A 77 12.066 -17.089 6.239 1.00 1.93 H new ATOM 0 HE2 LYS A 77 13.933 -18.866 7.866 1.00 3.71 H new ATOM 0 HE3 LYS A 77 13.793 -19.058 6.130 1.00 3.71 H new ATOM 0 HZ1 LYS A 77 15.544 -17.531 6.498 1.00 5.77 H new ATOM 0 HZ2 LYS A 77 14.234 -16.587 5.971 1.00 5.77 H new ATOM 0 HZ3 LYS A 77 14.644 -16.625 7.618 1.00 5.77 H new ATOM 1163 N CYS A 78 12.124 -17.886 13.022 1.00 0.44 N ATOM 1164 CA CYS A 78 13.234 -17.857 14.019 1.00 0.49 C ATOM 1165 C CYS A 78 13.809 -19.274 14.127 1.00 0.47 C ATOM 1166 O CYS A 78 13.161 -20.222 13.729 1.00 0.48 O ATOM 1167 CB CYS A 78 12.721 -17.384 15.382 1.00 0.62 C ATOM 1168 SG CYS A 78 11.194 -18.249 15.803 1.00 0.83 S ATOM 0 H CYS A 78 11.185 -17.977 13.410 1.00 0.44 H new ATOM 0 HA CYS A 78 14.007 -17.159 13.698 1.00 0.49 H new ATOM 0 HB2 CYS A 78 13.475 -17.568 16.147 1.00 0.62 H new ATOM 0 HB3 CYS A 78 12.545 -16.309 15.360 1.00 0.62 H new ATOM 1173 N PRO A 79 15.021 -19.386 14.614 1.00 0.46 N ATOM 1174 CA PRO A 79 15.829 -18.249 15.105 1.00 0.46 C ATOM 1175 C PRO A 79 16.229 -17.299 13.985 1.00 0.47 C ATOM 1176 O PRO A 79 16.743 -17.699 12.958 1.00 0.54 O ATOM 1177 CB PRO A 79 17.064 -18.917 15.724 1.00 0.45 C ATOM 1178 CG PRO A 79 17.145 -20.329 15.121 1.00 0.45 C ATOM 1179 CD PRO A 79 15.717 -20.687 14.673 1.00 0.45 C ATOM 0 HA PRO A 79 15.274 -17.632 15.812 1.00 0.46 H new ATOM 0 HB2 PRO A 79 17.966 -18.347 15.500 1.00 0.45 H new ATOM 0 HB3 PRO A 79 16.977 -18.963 16.810 1.00 0.45 H new ATOM 0 HG2 PRO A 79 17.835 -20.353 14.278 1.00 0.45 H new ATOM 0 HG3 PRO A 79 17.514 -21.045 15.855 1.00 0.45 H new ATOM 0 HD2 PRO A 79 15.716 -21.184 13.703 1.00 0.45 H new ATOM 0 HD3 PRO A 79 15.236 -21.365 15.378 1.00 0.45 H new ATOM 1187 N LEU A 80 16.007 -16.029 14.190 1.00 0.40 N ATOM 1188 CA LEU A 80 16.385 -15.042 13.156 1.00 0.41 C ATOM 1189 C LEU A 80 17.894 -14.945 13.141 1.00 0.40 C ATOM 1190 O LEU A 80 18.515 -14.426 14.042 1.00 0.51 O ATOM 1191 CB LEU A 80 15.790 -13.686 13.483 1.00 0.41 C ATOM 1192 CG LEU A 80 14.294 -13.847 13.739 1.00 0.46 C ATOM 1193 CD1 LEU A 80 13.773 -12.628 14.498 1.00 0.43 C ATOM 1194 CD2 LEU A 80 13.567 -13.971 12.400 1.00 0.40 C ATOM 0 H LEU A 80 15.580 -15.639 15.030 1.00 0.40 H new ATOM 0 HA LEU A 80 16.009 -15.355 12.182 1.00 0.41 H new ATOM 0 HB2 LEU A 80 16.278 -13.263 14.361 1.00 0.41 H new ATOM 0 HB3 LEU A 80 15.958 -12.993 12.659 1.00 0.41 H new ATOM 0 HG LEU A 80 14.116 -14.742 14.334 1.00 0.46 H new ATOM 0 HD11 LEU A 80 12.705 -12.743 14.681 1.00 0.43 H new ATOM 0 HD12 LEU A 80 14.297 -12.541 15.450 1.00 0.43 H new ATOM 0 HD13 LEU A 80 13.945 -11.729 13.905 1.00 0.43 H new ATOM 0 HD21 LEU A 80 12.498 -14.086 12.576 1.00 0.40 H new ATOM 0 HD22 LEU A 80 13.742 -13.074 11.806 1.00 0.40 H new ATOM 0 HD23 LEU A 80 13.942 -14.841 11.862 1.00 0.40 H new ATOM 1206 N VAL A 81 18.476 -15.471 12.127 1.00 0.30 N ATOM 1207 CA VAL A 81 19.953 -15.468 12.023 1.00 0.26 C ATOM 1208 C VAL A 81 20.446 -14.100 11.564 1.00 0.27 C ATOM 1209 O VAL A 81 19.899 -13.492 10.667 1.00 0.30 O ATOM 1210 CB VAL A 81 20.378 -16.542 11.028 1.00 0.25 C ATOM 1211 CG1 VAL A 81 21.904 -16.573 10.933 1.00 0.17 C ATOM 1212 CG2 VAL A 81 19.864 -17.901 11.513 1.00 0.27 C ATOM 0 H VAL A 81 17.991 -15.913 11.347 1.00 0.30 H new ATOM 0 HA VAL A 81 20.390 -15.679 12.999 1.00 0.26 H new ATOM 0 HB VAL A 81 19.962 -16.322 10.045 1.00 0.25 H new ATOM 0 HG11 VAL A 81 22.209 -17.341 10.222 1.00 0.17 H new ATOM 0 HG12 VAL A 81 22.267 -15.602 10.597 1.00 0.17 H new ATOM 0 HG13 VAL A 81 22.325 -16.798 11.913 1.00 0.17 H new ATOM 0 HG21 VAL A 81 20.163 -18.676 10.807 1.00 0.27 H new ATOM 0 HG22 VAL A 81 20.286 -18.121 12.494 1.00 0.27 H new ATOM 0 HG23 VAL A 81 18.777 -17.875 11.583 1.00 0.27 H new ATOM 1222 N LYS A 82 21.479 -13.614 12.187 1.00 0.26 N ATOM 1223 CA LYS A 82 22.033 -12.296 11.824 1.00 0.26 C ATOM 1224 C LYS A 82 22.535 -12.317 10.390 1.00 0.30 C ATOM 1225 O LYS A 82 23.528 -12.940 10.070 1.00 0.49 O ATOM 1226 CB LYS A 82 23.176 -11.988 12.783 1.00 0.28 C ATOM 1227 CG LYS A 82 23.772 -10.640 12.434 1.00 0.25 C ATOM 1228 CD LYS A 82 25.173 -10.526 13.037 1.00 0.24 C ATOM 1229 CE LYS A 82 25.388 -9.107 13.563 1.00 2.66 C ATOM 1230 NZ LYS A 82 26.705 -9.031 14.256 1.00 2.38 N ATOM 0 H LYS A 82 21.968 -14.088 12.946 1.00 0.26 H new ATOM 0 HA LYS A 82 21.264 -11.527 11.898 1.00 0.26 H new ATOM 0 HB2 LYS A 82 22.813 -11.983 13.811 1.00 0.28 H new ATOM 0 HB3 LYS A 82 23.939 -12.764 12.719 1.00 0.28 H new ATOM 0 HG2 LYS A 82 23.820 -10.522 11.351 1.00 0.25 H new ATOM 0 HG3 LYS A 82 23.136 -9.841 12.814 1.00 0.25 H new ATOM 0 HD2 LYS A 82 25.292 -11.247 13.846 1.00 0.24 H new ATOM 0 HD3 LYS A 82 25.925 -10.764 12.285 1.00 0.24 H new ATOM 0 HE2 LYS A 82 25.356 -8.393 12.740 1.00 2.66 H new ATOM 0 HE3 LYS A 82 24.587 -8.837 14.251 1.00 2.66 H new ATOM 0 HZ1 LYS A 82 26.853 -8.066 14.615 1.00 2.38 H new ATOM 0 HZ2 LYS A 82 26.718 -9.702 15.051 1.00 2.38 H new ATOM 0 HZ3 LYS A 82 27.464 -9.272 13.587 1.00 2.38 H new ATOM 1244 N GLY A 83 21.854 -11.625 9.524 1.00 0.12 N ATOM 1245 CA GLY A 83 22.284 -11.583 8.108 1.00 0.14 C ATOM 1246 C GLY A 83 21.126 -11.988 7.192 1.00 0.13 C ATOM 1247 O GLY A 83 21.147 -11.729 6.004 1.00 0.15 O ATOM 0 H GLY A 83 21.015 -11.086 9.740 1.00 0.12 H new ATOM 0 HA2 GLY A 83 22.625 -10.579 7.853 1.00 0.14 H new ATOM 0 HA3 GLY A 83 23.129 -12.255 7.957 1.00 0.14 H new ATOM 1251 N GLN A 84 20.111 -12.608 7.728 1.00 0.11 N ATOM 1252 CA GLN A 84 18.954 -13.010 6.881 1.00 0.11 C ATOM 1253 C GLN A 84 17.831 -12.014 7.111 1.00 0.11 C ATOM 1254 O GLN A 84 17.763 -11.377 8.139 1.00 0.13 O ATOM 1255 CB GLN A 84 18.482 -14.415 7.278 1.00 0.16 C ATOM 1256 CG GLN A 84 17.036 -14.659 6.813 1.00 0.19 C ATOM 1257 CD GLN A 84 17.017 -14.859 5.297 1.00 0.26 C ATOM 1258 OE1 GLN A 84 16.262 -14.218 4.595 1.00 1.46 O ATOM 1259 NE2 GLN A 84 17.823 -15.733 4.757 1.00 2.13 N ATOM 0 H GLN A 84 20.033 -12.853 8.715 1.00 0.11 H new ATOM 0 HA GLN A 84 19.244 -13.021 5.830 1.00 0.11 H new ATOM 0 HB2 GLN A 84 19.141 -15.163 6.837 1.00 0.16 H new ATOM 0 HB3 GLN A 84 18.545 -14.532 8.360 1.00 0.16 H new ATOM 0 HG2 GLN A 84 16.625 -15.537 7.312 1.00 0.19 H new ATOM 0 HG3 GLN A 84 16.406 -13.813 7.087 1.00 0.19 H new ATOM 0 HE21 GLN A 84 18.458 -16.273 5.345 1.00 2.13 H new ATOM 0 HE22 GLN A 84 17.817 -15.876 3.747 1.00 2.13 H new ATOM 1268 N GLN A 85 16.937 -11.881 6.180 1.00 0.12 N ATOM 1269 CA GLN A 85 15.819 -10.937 6.380 1.00 0.16 C ATOM 1270 C GLN A 85 14.561 -11.747 6.664 1.00 0.25 C ATOM 1271 O GLN A 85 14.455 -12.895 6.283 1.00 0.39 O ATOM 1272 CB GLN A 85 15.631 -10.083 5.133 1.00 0.19 C ATOM 1273 CG GLN A 85 14.144 -9.931 4.874 1.00 0.28 C ATOM 1274 CD GLN A 85 13.916 -8.902 3.765 1.00 0.37 C ATOM 1275 OE1 GLN A 85 14.744 -8.042 3.538 1.00 1.24 O ATOM 1276 NE2 GLN A 85 12.816 -8.949 3.064 1.00 1.99 N ATOM 0 H GLN A 85 16.934 -12.384 5.293 1.00 0.12 H new ATOM 0 HA GLN A 85 16.029 -10.271 7.217 1.00 0.16 H new ATOM 0 HB2 GLN A 85 16.094 -9.106 5.270 1.00 0.19 H new ATOM 0 HB3 GLN A 85 16.119 -10.550 4.277 1.00 0.19 H new ATOM 0 HG2 GLN A 85 13.715 -10.891 4.586 1.00 0.28 H new ATOM 0 HG3 GLN A 85 13.637 -9.616 5.786 1.00 0.28 H new ATOM 0 HE21 GLN A 85 12.121 -9.671 3.254 1.00 1.99 H new ATOM 0 HE22 GLN A 85 12.652 -8.264 2.326 1.00 1.99 H new ATOM 1285 N TYR A 86 13.620 -11.182 7.360 1.00 0.22 N ATOM 1286 CA TYR A 86 12.396 -11.950 7.693 1.00 0.33 C ATOM 1287 C TYR A 86 11.155 -11.128 7.371 1.00 0.41 C ATOM 1288 O TYR A 86 11.178 -9.914 7.382 1.00 0.39 O ATOM 1289 CB TYR A 86 12.452 -12.313 9.175 1.00 0.31 C ATOM 1290 CG TYR A 86 13.618 -13.234 9.362 1.00 0.32 C ATOM 1291 CD1 TYR A 86 14.919 -12.743 9.246 1.00 0.21 C ATOM 1292 CD2 TYR A 86 13.396 -14.582 9.602 1.00 0.46 C ATOM 1293 CE1 TYR A 86 16.004 -13.610 9.379 1.00 0.31 C ATOM 1294 CE2 TYR A 86 14.476 -15.455 9.725 1.00 0.50 C ATOM 1295 CZ TYR A 86 15.782 -14.971 9.615 1.00 0.43 C ATOM 1296 OH TYR A 86 16.847 -15.839 9.726 1.00 0.52 O ATOM 0 H TYR A 86 13.646 -10.225 7.711 1.00 0.22 H new ATOM 0 HA TYR A 86 12.343 -12.862 7.098 1.00 0.33 H new ATOM 0 HB2 TYR A 86 12.567 -11.418 9.786 1.00 0.31 H new ATOM 0 HB3 TYR A 86 11.526 -12.796 9.488 1.00 0.31 H new ATOM 0 HD1 TYR A 86 15.086 -11.693 9.054 1.00 0.21 H new ATOM 0 HD2 TYR A 86 12.387 -14.955 9.694 1.00 0.46 H new ATOM 0 HE1 TYR A 86 17.012 -13.232 9.300 1.00 0.31 H new ATOM 0 HE2 TYR A 86 14.303 -16.506 9.905 1.00 0.50 H new ATOM 0 HH TYR A 86 16.514 -16.746 9.890 1.00 0.52 H new ATOM 1306 N ASP A 87 10.074 -11.787 7.056 1.00 0.56 N ATOM 1307 CA ASP A 87 8.833 -11.048 6.700 1.00 0.64 C ATOM 1308 C ASP A 87 7.721 -11.382 7.693 1.00 0.56 C ATOM 1309 O ASP A 87 7.245 -12.500 7.752 1.00 0.60 O ATOM 1310 CB ASP A 87 8.388 -11.476 5.300 1.00 0.89 C ATOM 1311 CG ASP A 87 9.140 -12.745 4.899 1.00 1.17 C ATOM 1312 OD1 ASP A 87 8.873 -13.778 5.490 1.00 2.19 O ATOM 1313 OD2 ASP A 87 9.973 -12.662 4.011 1.00 0.95 O ATOM 0 H ASP A 87 9.998 -12.804 7.030 1.00 0.56 H new ATOM 0 HA ASP A 87 9.032 -9.977 6.728 1.00 0.64 H new ATOM 0 HB2 ASP A 87 7.313 -11.656 5.286 1.00 0.89 H new ATOM 0 HB3 ASP A 87 8.587 -10.679 4.583 1.00 0.89 H new ATOM 1318 N ILE A 88 7.294 -10.425 8.468 1.00 0.46 N ATOM 1319 CA ILE A 88 6.208 -10.700 9.442 1.00 0.37 C ATOM 1320 C ILE A 88 4.955 -9.897 9.117 1.00 0.25 C ATOM 1321 O ILE A 88 4.942 -8.683 9.174 1.00 0.24 O ATOM 1322 CB ILE A 88 6.644 -10.316 10.846 1.00 0.39 C ATOM 1323 CG1 ILE A 88 5.412 -10.246 11.745 1.00 0.20 C ATOM 1324 CG2 ILE A 88 7.313 -8.943 10.832 1.00 0.48 C ATOM 1325 CD1 ILE A 88 5.830 -10.511 13.186 1.00 0.34 C ATOM 0 H ILE A 88 7.650 -9.469 8.468 1.00 0.46 H new ATOM 0 HA ILE A 88 5.991 -11.767 9.382 1.00 0.37 H new ATOM 0 HB ILE A 88 7.349 -11.060 11.216 1.00 0.39 H new ATOM 0 HG12 ILE A 88 4.943 -9.266 11.664 1.00 0.20 H new ATOM 0 HG13 ILE A 88 4.672 -10.981 11.427 1.00 0.20 H new ATOM 0 HG21 ILE A 88 7.621 -8.678 11.843 1.00 0.48 H new ATOM 0 HG22 ILE A 88 8.187 -8.971 10.182 1.00 0.48 H new ATOM 0 HG23 ILE A 88 6.608 -8.199 10.461 1.00 0.48 H new ATOM 0 HD11 ILE A 88 4.955 -10.462 13.834 1.00 0.34 H new ATOM 0 HD12 ILE A 88 6.280 -11.501 13.258 1.00 0.34 H new ATOM 0 HD13 ILE A 88 6.555 -9.759 13.499 1.00 0.34 H new ATOM 1337 N LYS A 89 3.880 -10.575 8.858 1.00 0.19 N ATOM 1338 CA LYS A 89 2.592 -9.872 8.622 1.00 0.08 C ATOM 1339 C LYS A 89 1.825 -10.012 9.930 1.00 0.09 C ATOM 1340 O LYS A 89 1.398 -11.093 10.289 1.00 0.10 O ATOM 1341 CB LYS A 89 1.809 -10.525 7.479 1.00 0.16 C ATOM 1342 CG LYS A 89 0.538 -9.714 7.216 1.00 0.36 C ATOM 1343 CD LYS A 89 0.067 -9.938 5.777 1.00 0.90 C ATOM 1344 CE LYS A 89 -0.308 -8.595 5.146 1.00 1.92 C ATOM 1345 NZ LYS A 89 -1.656 -8.699 4.517 1.00 2.31 N ATOM 0 H LYS A 89 3.835 -11.592 8.799 1.00 0.19 H new ATOM 0 HA LYS A 89 2.748 -8.831 8.337 1.00 0.08 H new ATOM 0 HB2 LYS A 89 2.422 -10.566 6.579 1.00 0.16 H new ATOM 0 HB3 LYS A 89 1.553 -11.552 7.737 1.00 0.16 H new ATOM 0 HG2 LYS A 89 -0.244 -10.011 7.915 1.00 0.36 H new ATOM 0 HG3 LYS A 89 0.731 -8.654 7.384 1.00 0.36 H new ATOM 0 HD2 LYS A 89 0.855 -10.417 5.196 1.00 0.90 H new ATOM 0 HD3 LYS A 89 -0.791 -10.610 5.765 1.00 0.90 H new ATOM 0 HE2 LYS A 89 -0.309 -7.812 5.905 1.00 1.92 H new ATOM 0 HE3 LYS A 89 0.433 -8.313 4.398 1.00 1.92 H new ATOM 0 HZ1 LYS A 89 -1.910 -7.786 4.088 1.00 2.31 H new ATOM 0 HZ2 LYS A 89 -1.640 -9.434 3.782 1.00 2.31 H new ATOM 0 HZ3 LYS A 89 -2.359 -8.949 5.242 1.00 2.31 H new ATOM 1359 N TYR A 90 1.708 -8.961 10.685 1.00 0.13 N ATOM 1360 CA TYR A 90 1.041 -9.097 12.005 1.00 0.16 C ATOM 1361 C TYR A 90 -0.194 -8.214 12.129 1.00 0.17 C ATOM 1362 O TYR A 90 -0.212 -7.072 11.715 1.00 0.17 O ATOM 1363 CB TYR A 90 2.028 -8.711 13.106 1.00 0.15 C ATOM 1364 CG TYR A 90 1.350 -8.942 14.421 1.00 0.07 C ATOM 1365 CD1 TYR A 90 0.800 -10.193 14.685 1.00 0.21 C ATOM 1366 CD2 TYR A 90 1.236 -7.907 15.356 1.00 0.18 C ATOM 1367 CE1 TYR A 90 0.128 -10.420 15.883 1.00 0.30 C ATOM 1368 CE2 TYR A 90 0.572 -8.134 16.564 1.00 0.19 C ATOM 1369 CZ TYR A 90 0.013 -9.396 16.827 1.00 0.26 C ATOM 1370 OH TYR A 90 -0.664 -9.626 18.005 1.00 0.38 O ATOM 0 H TYR A 90 2.040 -8.025 10.451 1.00 0.13 H new ATOM 0 HA TYR A 90 0.722 -10.135 12.103 1.00 0.16 H new ATOM 0 HB2 TYR A 90 2.936 -9.309 13.033 1.00 0.15 H new ATOM 0 HB3 TYR A 90 2.325 -7.667 13.006 1.00 0.15 H new ATOM 0 HD1 TYR A 90 0.895 -10.988 13.960 1.00 0.21 H new ATOM 0 HD2 TYR A 90 1.660 -6.936 15.144 1.00 0.18 H new ATOM 0 HE1 TYR A 90 -0.305 -11.389 16.083 1.00 0.30 H new ATOM 0 HE2 TYR A 90 0.489 -7.342 17.293 1.00 0.19 H new ATOM 0 HH TYR A 90 -0.788 -10.590 18.128 1.00 0.38 H new ATOM 1380 N THR A 91 -1.213 -8.738 12.760 1.00 0.17 N ATOM 1381 CA THR A 91 -2.442 -7.941 12.991 1.00 0.16 C ATOM 1382 C THR A 91 -2.275 -7.269 14.350 1.00 0.16 C ATOM 1383 O THR A 91 -1.649 -7.804 15.244 1.00 0.82 O ATOM 1384 CB THR A 91 -3.679 -8.837 12.999 1.00 0.20 C ATOM 1385 OG1 THR A 91 -3.289 -10.185 13.212 1.00 0.21 O ATOM 1386 CG2 THR A 91 -4.401 -8.717 11.660 1.00 0.19 C ATOM 0 H THR A 91 -1.241 -9.690 13.125 1.00 0.17 H new ATOM 0 HA THR A 91 -2.580 -7.208 12.196 1.00 0.16 H new ATOM 0 HB THR A 91 -4.348 -8.526 13.801 1.00 0.20 H new ATOM 0 HG1 THR A 91 -4.084 -10.758 13.219 1.00 0.21 H new ATOM 0 HG21 THR A 91 -5.284 -9.356 11.664 1.00 0.19 H new ATOM 0 HG22 THR A 91 -4.703 -7.682 11.501 1.00 0.19 H new ATOM 0 HG23 THR A 91 -3.732 -9.027 10.857 1.00 0.19 H new ATOM 1394 N TRP A 92 -2.776 -6.088 14.497 1.00 0.69 N ATOM 1395 CA TRP A 92 -2.594 -5.354 15.777 1.00 0.65 C ATOM 1396 C TRP A 92 -3.949 -4.898 16.298 1.00 0.63 C ATOM 1397 O TRP A 92 -4.449 -3.856 15.935 1.00 0.59 O ATOM 1398 CB TRP A 92 -1.697 -4.162 15.464 1.00 0.59 C ATOM 1399 CG TRP A 92 -1.415 -3.329 16.663 1.00 0.54 C ATOM 1400 CD1 TRP A 92 -0.642 -3.706 17.700 1.00 0.38 C ATOM 1401 CD2 TRP A 92 -1.845 -1.967 16.942 1.00 0.64 C ATOM 1402 NE1 TRP A 92 -0.554 -2.652 18.591 1.00 0.37 N ATOM 1403 CE2 TRP A 92 -1.280 -1.562 18.164 1.00 0.52 C ATOM 1404 CE3 TRP A 92 -2.661 -1.050 16.261 1.00 0.84 C ATOM 1405 CZ2 TRP A 92 -1.505 -0.295 18.683 1.00 0.57 C ATOM 1406 CZ3 TRP A 92 -2.894 0.228 16.795 1.00 0.89 C ATOM 1407 CH2 TRP A 92 -2.314 0.603 18.000 1.00 0.76 C ATOM 0 H TRP A 92 -3.309 -5.590 13.784 1.00 0.69 H new ATOM 0 HA TRP A 92 -2.143 -5.979 16.547 1.00 0.65 H new ATOM 0 HB2 TRP A 92 -0.756 -4.520 15.045 1.00 0.59 H new ATOM 0 HB3 TRP A 92 -2.172 -3.545 14.701 1.00 0.59 H new ATOM 0 HD1 TRP A 92 -0.170 -4.670 17.816 1.00 0.38 H new ATOM 0 HE1 TRP A 92 -0.017 -2.678 19.458 1.00 0.37 H new ATOM 0 HE3 TRP A 92 -3.113 -1.329 15.320 1.00 0.84 H new ATOM 0 HZ2 TRP A 92 -1.050 -0.007 19.619 1.00 0.57 H new ATOM 0 HZ3 TRP A 92 -3.528 0.923 16.265 1.00 0.89 H new ATOM 0 HH2 TRP A 92 -2.492 1.589 18.404 1.00 0.76 H new ATOM 1418 N ASN A 93 -4.547 -5.676 17.153 1.00 0.65 N ATOM 1419 CA ASN A 93 -5.875 -5.292 17.691 1.00 0.65 C ATOM 1420 C ASN A 93 -5.759 -3.929 18.356 1.00 0.57 C ATOM 1421 O ASN A 93 -5.230 -3.801 19.441 1.00 0.61 O ATOM 1422 CB ASN A 93 -6.318 -6.320 18.732 1.00 0.70 C ATOM 1423 CG ASN A 93 -7.180 -7.388 18.064 1.00 0.50 C ATOM 1424 OD1 ASN A 93 -8.372 -7.212 17.905 1.00 1.16 O ATOM 1425 ND2 ASN A 93 -6.624 -8.498 17.664 1.00 2.13 N ATOM 0 H ASN A 93 -4.173 -6.559 17.501 1.00 0.65 H new ATOM 0 HA ASN A 93 -6.605 -5.254 16.882 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -5.446 -6.781 19.197 1.00 0.70 H new ATOM 0 HB3 ASN A 93 -6.880 -5.829 19.526 1.00 0.70 H new ATOM 0 HD21 ASN A 93 -7.190 -9.220 17.217 1.00 2.13 H new ATOM 0 HD22 ASN A 93 -5.624 -8.644 17.798 1.00 2.13 H new ATOM 1432 N VAL A 94 -6.251 -2.904 17.720 1.00 0.48 N ATOM 1433 CA VAL A 94 -6.165 -1.559 18.337 1.00 0.42 C ATOM 1434 C VAL A 94 -6.885 -1.613 19.679 1.00 0.40 C ATOM 1435 O VAL A 94 -7.908 -2.255 19.800 1.00 0.43 O ATOM 1436 CB VAL A 94 -6.844 -0.528 17.429 1.00 0.42 C ATOM 1437 CG1 VAL A 94 -6.905 0.828 18.138 1.00 0.62 C ATOM 1438 CG2 VAL A 94 -6.037 -0.386 16.138 1.00 0.46 C ATOM 0 H VAL A 94 -6.705 -2.941 16.807 1.00 0.48 H new ATOM 0 HA VAL A 94 -5.123 -1.270 18.474 1.00 0.42 H new ATOM 0 HB VAL A 94 -7.856 -0.860 17.199 1.00 0.42 H new ATOM 0 HG11 VAL A 94 -7.389 1.557 17.488 1.00 0.62 H new ATOM 0 HG12 VAL A 94 -7.476 0.730 19.061 1.00 0.62 H new ATOM 0 HG13 VAL A 94 -5.894 1.163 18.370 1.00 0.62 H new ATOM 0 HG21 VAL A 94 -6.516 0.347 15.488 1.00 0.46 H new ATOM 0 HG22 VAL A 94 -5.026 -0.055 16.375 1.00 0.46 H new ATOM 0 HG23 VAL A 94 -5.993 -1.349 15.629 1.00 0.46 H new ATOM 1448 N PRO A 95 -6.339 -0.940 20.647 1.00 0.40 N ATOM 1449 CA PRO A 95 -6.929 -0.901 21.990 1.00 0.42 C ATOM 1450 C PRO A 95 -8.207 -0.058 21.976 1.00 0.39 C ATOM 1451 O PRO A 95 -8.207 1.087 21.570 1.00 0.47 O ATOM 1452 CB PRO A 95 -5.831 -0.269 22.850 1.00 0.50 C ATOM 1453 CG PRO A 95 -4.906 0.498 21.878 1.00 0.50 C ATOM 1454 CD PRO A 95 -5.099 -0.154 20.496 1.00 0.41 C ATOM 0 HA PRO A 95 -7.226 -1.879 22.369 1.00 0.42 H new ATOM 0 HB2 PRO A 95 -6.258 0.404 23.593 1.00 0.50 H new ATOM 0 HB3 PRO A 95 -5.275 -1.033 23.394 1.00 0.50 H new ATOM 0 HG2 PRO A 95 -5.164 1.557 21.848 1.00 0.50 H new ATOM 0 HG3 PRO A 95 -3.866 0.433 22.197 1.00 0.50 H new ATOM 0 HD2 PRO A 95 -5.194 0.595 19.710 1.00 0.41 H new ATOM 0 HD3 PRO A 95 -4.253 -0.788 20.231 1.00 0.41 H new ATOM 1462 N LYS A 96 -9.299 -0.628 22.415 1.00 0.39 N ATOM 1463 CA LYS A 96 -10.586 0.124 22.430 1.00 0.40 C ATOM 1464 C LYS A 96 -10.511 1.257 23.464 1.00 0.44 C ATOM 1465 O LYS A 96 -11.432 2.037 23.609 1.00 0.50 O ATOM 1466 CB LYS A 96 -11.724 -0.835 22.786 1.00 0.39 C ATOM 1467 CG LYS A 96 -12.840 -0.711 21.746 1.00 2.19 C ATOM 1468 CD LYS A 96 -13.970 0.133 22.308 1.00 3.01 C ATOM 1469 CE LYS A 96 -15.263 -0.685 22.337 1.00 2.03 C ATOM 1470 NZ LYS A 96 -15.176 -1.712 23.413 1.00 2.16 N ATOM 0 H LYS A 96 -9.354 -1.585 22.764 1.00 0.39 H new ATOM 0 HA LYS A 96 -10.771 0.556 21.446 1.00 0.40 H new ATOM 0 HB2 LYS A 96 -11.354 -1.860 22.817 1.00 0.39 H new ATOM 0 HB3 LYS A 96 -12.110 -0.605 23.779 1.00 0.39 H new ATOM 0 HG2 LYS A 96 -12.452 -0.257 20.834 1.00 2.19 H new ATOM 0 HG3 LYS A 96 -13.211 -1.700 21.476 1.00 2.19 H new ATOM 0 HD2 LYS A 96 -13.719 0.470 23.314 1.00 3.01 H new ATOM 0 HD3 LYS A 96 -14.107 1.026 21.698 1.00 3.01 H new ATOM 0 HE2 LYS A 96 -16.117 -0.030 22.513 1.00 2.03 H new ATOM 0 HE3 LYS A 96 -15.423 -1.166 21.372 1.00 2.03 H new ATOM 0 HZ1 LYS A 96 -16.054 -2.269 23.434 1.00 2.16 H new ATOM 0 HZ2 LYS A 96 -14.371 -2.343 23.226 1.00 2.16 H new ATOM 0 HZ3 LYS A 96 -15.042 -1.242 24.331 1.00 2.16 H new ATOM 1484 N ILE A 97 -9.419 1.360 24.182 1.00 0.44 N ATOM 1485 CA ILE A 97 -9.281 2.439 25.200 1.00 0.50 C ATOM 1486 C ILE A 97 -8.702 3.685 24.539 1.00 0.48 C ATOM 1487 O ILE A 97 -8.875 4.792 25.011 1.00 0.46 O ATOM 1488 CB ILE A 97 -8.291 1.983 26.263 1.00 0.51 C ATOM 1489 CG1 ILE A 97 -6.870 2.192 25.732 1.00 0.54 C ATOM 1490 CG2 ILE A 97 -8.508 0.502 26.580 1.00 0.44 C ATOM 1491 CD1 ILE A 97 -5.853 1.596 26.706 1.00 0.52 C ATOM 0 H ILE A 97 -8.615 0.738 24.103 1.00 0.44 H new ATOM 0 HA ILE A 97 -10.257 2.654 25.636 1.00 0.50 H new ATOM 0 HB ILE A 97 -8.439 2.562 27.175 1.00 0.51 H new ATOM 0 HG12 ILE A 97 -6.766 1.723 24.753 1.00 0.54 H new ATOM 0 HG13 ILE A 97 -6.676 3.256 25.598 1.00 0.54 H new ATOM 0 HG21 ILE A 97 -7.795 0.185 27.341 1.00 0.44 H new ATOM 0 HG22 ILE A 97 -9.523 0.354 26.949 1.00 0.44 H new ATOM 0 HG23 ILE A 97 -8.360 -0.089 25.676 1.00 0.44 H new ATOM 0 HD11 ILE A 97 -4.846 1.750 26.319 1.00 0.52 H new ATOM 0 HD12 ILE A 97 -5.948 2.085 27.676 1.00 0.52 H new ATOM 0 HD13 ILE A 97 -6.039 0.528 26.818 1.00 0.52 H new ATOM 1503 N ALA A 98 -7.997 3.486 23.461 1.00 0.50 N ATOM 1504 CA ALA A 98 -7.354 4.611 22.722 1.00 0.45 C ATOM 1505 C ALA A 98 -8.157 5.908 22.899 1.00 0.39 C ATOM 1506 O ALA A 98 -9.310 5.977 22.535 1.00 0.66 O ATOM 1507 CB ALA A 98 -7.297 4.262 21.235 1.00 0.74 C ATOM 0 H ALA A 98 -7.835 2.567 23.050 1.00 0.50 H new ATOM 0 HA ALA A 98 -6.350 4.762 23.119 1.00 0.45 H new ATOM 0 HB1 ALA A 98 -6.828 5.079 20.687 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -6.714 3.351 21.097 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -8.308 4.106 20.859 1.00 0.74 H new ATOM 1513 N PRO A 99 -7.518 6.900 23.451 1.00 0.18 N ATOM 1514 CA PRO A 99 -8.141 8.208 23.686 1.00 0.44 C ATOM 1515 C PRO A 99 -7.995 9.054 22.422 1.00 0.44 C ATOM 1516 O PRO A 99 -6.927 9.118 21.854 1.00 0.34 O ATOM 1517 CB PRO A 99 -7.299 8.795 24.823 1.00 0.56 C ATOM 1518 CG PRO A 99 -5.927 8.071 24.769 1.00 0.45 C ATOM 1519 CD PRO A 99 -6.120 6.812 23.902 1.00 0.17 C ATOM 0 HA PRO A 99 -9.203 8.163 23.929 1.00 0.44 H new ATOM 0 HB2 PRO A 99 -7.176 9.871 24.700 1.00 0.56 H new ATOM 0 HB3 PRO A 99 -7.784 8.638 25.787 1.00 0.56 H new ATOM 0 HG2 PRO A 99 -5.164 8.721 24.341 1.00 0.45 H new ATOM 0 HG3 PRO A 99 -5.592 7.802 25.771 1.00 0.45 H new ATOM 0 HD2 PRO A 99 -5.429 6.798 23.059 1.00 0.17 H new ATOM 0 HD3 PRO A 99 -5.942 5.902 24.475 1.00 0.17 H new ATOM 1527 N LYS A 100 -9.039 9.703 21.966 1.00 0.55 N ATOM 1528 CA LYS A 100 -8.896 10.532 20.731 1.00 0.56 C ATOM 1529 C LYS A 100 -7.692 11.448 20.918 1.00 0.53 C ATOM 1530 O LYS A 100 -7.795 12.531 21.461 1.00 0.64 O ATOM 1531 CB LYS A 100 -10.154 11.384 20.507 1.00 0.71 C ATOM 1532 CG LYS A 100 -11.325 10.504 20.047 1.00 0.69 C ATOM 1533 CD LYS A 100 -10.840 9.476 19.024 1.00 1.77 C ATOM 1534 CE LYS A 100 -10.493 8.174 19.748 1.00 4.27 C ATOM 1535 NZ LYS A 100 -11.673 7.710 20.529 1.00 5.40 N ATOM 0 H LYS A 100 -9.968 9.695 22.387 1.00 0.55 H new ATOM 0 HA LYS A 100 -8.761 9.884 19.865 1.00 0.56 H new ATOM 0 HB2 LYS A 100 -10.420 11.900 21.430 1.00 0.71 H new ATOM 0 HB3 LYS A 100 -9.952 12.151 19.759 1.00 0.71 H new ATOM 0 HG2 LYS A 100 -11.766 9.995 20.904 1.00 0.69 H new ATOM 0 HG3 LYS A 100 -12.106 11.125 19.608 1.00 0.69 H new ATOM 0 HD2 LYS A 100 -11.613 9.296 18.277 1.00 1.77 H new ATOM 0 HD3 LYS A 100 -9.966 9.856 18.494 1.00 1.77 H new ATOM 0 HE2 LYS A 100 -10.198 7.412 19.027 1.00 4.27 H new ATOM 0 HE3 LYS A 100 -9.643 8.330 20.412 1.00 4.27 H new ATOM 0 HZ1 LYS A 100 -11.797 6.686 20.396 1.00 5.40 H new ATOM 0 HZ2 LYS A 100 -11.523 7.912 21.538 1.00 5.40 H new ATOM 0 HZ3 LYS A 100 -12.525 8.207 20.199 1.00 5.40 H new ATOM 1549 N SER A 101 -6.546 11.006 20.493 1.00 0.41 N ATOM 1550 CA SER A 101 -5.322 11.821 20.662 1.00 0.42 C ATOM 1551 C SER A 101 -5.075 12.637 19.395 1.00 0.45 C ATOM 1552 O SER A 101 -4.807 12.093 18.342 1.00 0.45 O ATOM 1553 CB SER A 101 -4.142 10.880 20.927 1.00 0.31 C ATOM 1554 OG SER A 101 -3.106 11.601 21.583 1.00 0.46 O ATOM 0 H SER A 101 -6.406 10.107 20.032 1.00 0.41 H new ATOM 0 HA SER A 101 -5.436 12.507 21.501 1.00 0.42 H new ATOM 0 HB2 SER A 101 -4.463 10.040 21.543 1.00 0.31 H new ATOM 0 HB3 SER A 101 -3.774 10.465 19.988 1.00 0.31 H new ATOM 0 HG SER A 101 -2.375 11.770 20.952 1.00 0.46 H new ATOM 1560 N GLU A 102 -5.165 13.939 19.494 1.00 0.49 N ATOM 1561 CA GLU A 102 -4.936 14.806 18.302 1.00 0.54 C ATOM 1562 C GLU A 102 -3.786 14.231 17.475 1.00 0.50 C ATOM 1563 O GLU A 102 -3.837 14.188 16.264 1.00 0.60 O ATOM 1564 CB GLU A 102 -4.579 16.224 18.768 1.00 0.63 C ATOM 1565 CG GLU A 102 -3.211 16.210 19.459 1.00 0.65 C ATOM 1566 CD GLU A 102 -3.064 17.453 20.339 1.00 0.91 C ATOM 1567 OE1 GLU A 102 -3.388 18.531 19.869 1.00 1.30 O ATOM 1568 OE2 GLU A 102 -2.628 17.305 21.469 1.00 1.60 O ATOM 0 H GLU A 102 -5.388 14.440 20.354 1.00 0.49 H new ATOM 0 HA GLU A 102 -5.839 14.842 17.692 1.00 0.54 H new ATOM 0 HB2 GLU A 102 -4.560 16.904 17.916 1.00 0.63 H new ATOM 0 HB3 GLU A 102 -5.340 16.594 19.454 1.00 0.63 H new ATOM 0 HG2 GLU A 102 -3.108 15.310 20.065 1.00 0.65 H new ATOM 0 HG3 GLU A 102 -2.417 16.185 18.713 1.00 0.65 H new ATOM 1575 N ASN A 103 -2.754 13.780 18.129 1.00 0.40 N ATOM 1576 CA ASN A 103 -1.599 13.192 17.402 1.00 0.37 C ATOM 1577 C ASN A 103 -1.182 11.897 18.095 1.00 0.24 C ATOM 1578 O ASN A 103 -1.173 11.803 19.305 1.00 0.28 O ATOM 1579 CB ASN A 103 -0.427 14.176 17.423 1.00 0.50 C ATOM 1580 CG ASN A 103 0.402 14.015 16.146 1.00 0.88 C ATOM 1581 OD1 ASN A 103 1.477 13.449 16.174 1.00 3.06 O ATOM 1582 ND2 ASN A 103 -0.055 14.494 15.023 1.00 1.31 N ATOM 0 H ASN A 103 -2.661 13.794 19.145 1.00 0.40 H new ATOM 0 HA ASN A 103 -1.881 12.986 16.369 1.00 0.37 H new ATOM 0 HB2 ASN A 103 -0.798 15.198 17.501 1.00 0.50 H new ATOM 0 HB3 ASN A 103 0.197 13.996 18.299 1.00 0.50 H new ATOM 0 HD21 ASN A 103 0.490 14.394 14.167 1.00 1.31 H new ATOM 0 HD22 ASN A 103 -0.957 14.969 15.001 1.00 1.31 H new ATOM 1589 N VAL A 104 -0.829 10.905 17.339 1.00 0.24 N ATOM 1590 CA VAL A 104 -0.403 9.626 17.947 1.00 0.12 C ATOM 1591 C VAL A 104 0.875 9.155 17.266 1.00 0.17 C ATOM 1592 O VAL A 104 1.075 9.364 16.086 1.00 0.22 O ATOM 1593 CB VAL A 104 -1.500 8.581 17.763 1.00 0.12 C ATOM 1594 CG1 VAL A 104 -0.883 7.269 17.277 1.00 0.64 C ATOM 1595 CG2 VAL A 104 -2.203 8.354 19.101 1.00 0.45 C ATOM 0 H VAL A 104 -0.817 10.926 16.319 1.00 0.24 H new ATOM 0 HA VAL A 104 -0.221 9.767 19.012 1.00 0.12 H new ATOM 0 HB VAL A 104 -2.221 8.931 17.025 1.00 0.12 H new ATOM 0 HG11 VAL A 104 -1.668 6.524 17.146 1.00 0.64 H new ATOM 0 HG12 VAL A 104 -0.378 7.435 16.325 1.00 0.64 H new ATOM 0 HG13 VAL A 104 -0.162 6.911 18.012 1.00 0.64 H new ATOM 0 HG21 VAL A 104 -2.988 7.608 18.977 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -1.480 8.001 19.837 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -2.643 9.290 19.445 1.00 0.45 H new ATOM 1605 N VAL A 105 1.735 8.509 17.989 1.00 0.16 N ATOM 1606 CA VAL A 105 2.987 8.016 17.371 1.00 0.20 C ATOM 1607 C VAL A 105 3.097 6.528 17.666 1.00 0.16 C ATOM 1608 O VAL A 105 3.217 6.117 18.801 1.00 0.16 O ATOM 1609 CB VAL A 105 4.177 8.762 17.972 1.00 0.25 C ATOM 1610 CG1 VAL A 105 5.432 8.477 17.145 1.00 0.35 C ATOM 1611 CG2 VAL A 105 3.886 10.266 17.958 1.00 0.67 C ATOM 0 H VAL A 105 1.626 8.301 18.981 1.00 0.16 H new ATOM 0 HA VAL A 105 2.981 8.184 16.294 1.00 0.20 H new ATOM 0 HB VAL A 105 4.338 8.428 18.997 1.00 0.25 H new ATOM 0 HG11 VAL A 105 6.280 9.010 17.575 1.00 0.35 H new ATOM 0 HG12 VAL A 105 5.636 7.406 17.150 1.00 0.35 H new ATOM 0 HG13 VAL A 105 5.276 8.811 16.119 1.00 0.35 H new ATOM 0 HG21 VAL A 105 4.732 10.804 18.386 1.00 0.67 H new ATOM 0 HG22 VAL A 105 3.727 10.596 16.931 1.00 0.67 H new ATOM 0 HG23 VAL A 105 2.991 10.469 18.547 1.00 0.67 H new ATOM 1621 N VAL A 106 3.039 5.712 16.659 1.00 0.13 N ATOM 1622 CA VAL A 106 3.117 4.253 16.903 1.00 0.11 C ATOM 1623 C VAL A 106 4.544 3.765 16.679 1.00 0.07 C ATOM 1624 O VAL A 106 5.212 4.163 15.744 1.00 0.11 O ATOM 1625 CB VAL A 106 2.165 3.529 15.956 1.00 0.18 C ATOM 1626 CG1 VAL A 106 2.148 2.038 16.297 1.00 0.19 C ATOM 1627 CG2 VAL A 106 0.760 4.114 16.123 1.00 0.50 C ATOM 0 H VAL A 106 2.941 5.990 15.682 1.00 0.13 H new ATOM 0 HA VAL A 106 2.831 4.043 17.933 1.00 0.11 H new ATOM 0 HB VAL A 106 2.495 3.657 14.925 1.00 0.18 H new ATOM 0 HG11 VAL A 106 1.468 1.518 15.622 1.00 0.19 H new ATOM 0 HG12 VAL A 106 3.152 1.628 16.188 1.00 0.19 H new ATOM 0 HG13 VAL A 106 1.811 1.904 17.325 1.00 0.19 H new ATOM 0 HG21 VAL A 106 0.071 3.603 15.450 1.00 0.50 H new ATOM 0 HG22 VAL A 106 0.429 3.978 17.153 1.00 0.50 H new ATOM 0 HG23 VAL A 106 0.778 5.178 15.885 1.00 0.50 H new ATOM 1637 N THR A 107 5.014 2.909 17.536 1.00 0.06 N ATOM 1638 CA THR A 107 6.397 2.391 17.390 1.00 0.13 C ATOM 1639 C THR A 107 6.358 0.887 17.166 1.00 0.22 C ATOM 1640 O THR A 107 5.981 0.137 18.039 1.00 0.22 O ATOM 1641 CB THR A 107 7.164 2.647 18.683 1.00 0.20 C ATOM 1642 OG1 THR A 107 7.148 4.034 18.984 1.00 0.23 O ATOM 1643 CG2 THR A 107 8.606 2.167 18.523 1.00 0.37 C ATOM 0 H THR A 107 4.497 2.544 18.336 1.00 0.06 H new ATOM 0 HA THR A 107 6.877 2.889 16.547 1.00 0.13 H new ATOM 0 HB THR A 107 6.691 2.101 19.499 1.00 0.20 H new ATOM 0 HG1 THR A 107 7.640 4.194 19.816 1.00 0.23 H new ATOM 0 HG21 THR A 107 9.155 2.350 19.447 1.00 0.37 H new ATOM 0 HG22 THR A 107 8.612 1.100 18.302 1.00 0.37 H new ATOM 0 HG23 THR A 107 9.081 2.709 17.705 1.00 0.37 H new ATOM 1651 N VAL A 108 6.788 0.431 16.034 1.00 0.28 N ATOM 1652 CA VAL A 108 6.807 -1.033 15.798 1.00 0.37 C ATOM 1653 C VAL A 108 8.210 -1.511 16.159 1.00 0.41 C ATOM 1654 O VAL A 108 9.184 -0.940 15.727 1.00 0.39 O ATOM 1655 CB VAL A 108 6.518 -1.313 14.326 1.00 0.40 C ATOM 1656 CG1 VAL A 108 7.780 -1.864 13.651 1.00 0.45 C ATOM 1657 CG2 VAL A 108 5.377 -2.329 14.219 1.00 0.35 C ATOM 0 H VAL A 108 7.127 1.004 15.261 1.00 0.28 H new ATOM 0 HA VAL A 108 6.054 -1.548 16.395 1.00 0.37 H new ATOM 0 HB VAL A 108 6.224 -0.390 13.826 1.00 0.40 H new ATOM 0 HG11 VAL A 108 7.573 -2.064 12.600 1.00 0.45 H new ATOM 0 HG12 VAL A 108 8.584 -1.132 13.730 1.00 0.45 H new ATOM 0 HG13 VAL A 108 8.082 -2.789 14.143 1.00 0.45 H new ATOM 0 HG21 VAL A 108 5.168 -2.532 13.169 1.00 0.35 H new ATOM 0 HG22 VAL A 108 5.666 -3.255 14.716 1.00 0.35 H new ATOM 0 HG23 VAL A 108 4.484 -1.925 14.696 1.00 0.35 H new ATOM 1667 N LYS A 109 8.346 -2.510 16.978 1.00 0.44 N ATOM 1668 CA LYS A 109 9.721 -2.914 17.366 1.00 0.47 C ATOM 1669 C LYS A 109 9.875 -4.429 17.466 1.00 0.43 C ATOM 1670 O LYS A 109 9.130 -5.101 18.146 1.00 0.36 O ATOM 1671 CB LYS A 109 10.027 -2.304 18.733 1.00 0.45 C ATOM 1672 CG LYS A 109 11.453 -1.755 18.750 1.00 0.55 C ATOM 1673 CD LYS A 109 12.062 -1.939 20.145 1.00 0.53 C ATOM 1674 CE LYS A 109 11.044 -1.539 21.218 1.00 0.53 C ATOM 1675 NZ LYS A 109 10.834 -0.065 21.182 1.00 0.95 N ATOM 0 H LYS A 109 7.586 -3.053 17.388 1.00 0.44 H new ATOM 0 HA LYS A 109 10.408 -2.561 16.597 1.00 0.47 H new ATOM 0 HB2 LYS A 109 9.318 -1.505 18.952 1.00 0.45 H new ATOM 0 HB3 LYS A 109 9.909 -3.057 19.512 1.00 0.45 H new ATOM 0 HG2 LYS A 109 12.060 -2.271 18.007 1.00 0.55 H new ATOM 0 HG3 LYS A 109 11.449 -0.699 18.481 1.00 0.55 H new ATOM 0 HD2 LYS A 109 12.362 -2.977 20.286 1.00 0.53 H new ATOM 0 HD3 LYS A 109 12.962 -1.331 20.241 1.00 0.53 H new ATOM 0 HE2 LYS A 109 10.099 -2.055 21.048 1.00 0.53 H new ATOM 0 HE3 LYS A 109 11.400 -1.842 22.203 1.00 0.53 H new ATOM 0 HZ1 LYS A 109 10.169 0.209 21.933 1.00 0.95 H new ATOM 0 HZ2 LYS A 109 11.743 0.419 21.331 1.00 0.95 H new ATOM 0 HZ3 LYS A 109 10.444 0.208 20.257 1.00 0.95 H new ATOM 1689 N LEU A 110 10.885 -4.958 16.847 1.00 0.44 N ATOM 1690 CA LEU A 110 11.141 -6.413 16.963 1.00 0.36 C ATOM 1691 C LEU A 110 12.293 -6.564 17.951 1.00 0.32 C ATOM 1692 O LEU A 110 13.215 -5.775 17.948 1.00 0.38 O ATOM 1693 CB LEU A 110 11.556 -7.003 15.612 1.00 0.34 C ATOM 1694 CG LEU A 110 10.336 -7.252 14.719 1.00 0.53 C ATOM 1695 CD1 LEU A 110 10.637 -8.431 13.795 1.00 0.80 C ATOM 1696 CD2 LEU A 110 9.099 -7.581 15.558 1.00 0.33 C ATOM 0 H LEU A 110 11.546 -4.445 16.264 1.00 0.44 H new ATOM 0 HA LEU A 110 10.243 -6.936 17.292 1.00 0.36 H new ATOM 0 HB2 LEU A 110 12.244 -6.322 15.111 1.00 0.34 H new ATOM 0 HB3 LEU A 110 12.092 -7.939 15.770 1.00 0.34 H new ATOM 0 HG LEU A 110 10.133 -6.349 14.143 1.00 0.53 H new ATOM 0 HD11 LEU A 110 9.776 -8.619 13.153 1.00 0.80 H new ATOM 0 HD12 LEU A 110 11.505 -8.198 13.178 1.00 0.80 H new ATOM 0 HD13 LEU A 110 10.845 -9.318 14.393 1.00 0.80 H new ATOM 0 HD21 LEU A 110 8.248 -7.753 14.899 1.00 0.33 H new ATOM 0 HD22 LEU A 110 9.288 -8.477 16.149 1.00 0.33 H new ATOM 0 HD23 LEU A 110 8.879 -6.747 16.225 1.00 0.33 H new ATOM 1708 N ILE A 111 12.246 -7.528 18.822 1.00 0.24 N ATOM 1709 CA ILE A 111 13.334 -7.663 19.810 1.00 0.27 C ATOM 1710 C ILE A 111 13.733 -9.130 19.960 1.00 0.18 C ATOM 1711 O ILE A 111 12.969 -9.948 20.432 1.00 0.19 O ATOM 1712 CB ILE A 111 12.841 -7.139 21.151 1.00 0.36 C ATOM 1713 CG1 ILE A 111 12.602 -5.632 21.055 1.00 0.45 C ATOM 1714 CG2 ILE A 111 13.899 -7.425 22.202 1.00 0.42 C ATOM 1715 CD1 ILE A 111 11.177 -5.369 20.563 1.00 0.34 C ATOM 0 H ILE A 111 11.503 -8.223 18.889 1.00 0.24 H new ATOM 0 HA ILE A 111 14.201 -7.094 19.474 1.00 0.27 H new ATOM 0 HB ILE A 111 11.906 -7.629 21.423 1.00 0.36 H new ATOM 0 HG12 ILE A 111 12.753 -5.167 22.029 1.00 0.45 H new ATOM 0 HG13 ILE A 111 13.322 -5.182 20.372 1.00 0.45 H new ATOM 0 HG21 ILE A 111 13.560 -7.055 23.170 1.00 0.42 H new ATOM 0 HG22 ILE A 111 14.069 -8.500 22.264 1.00 0.42 H new ATOM 0 HG23 ILE A 111 14.828 -6.926 21.928 1.00 0.42 H new ATOM 0 HD11 ILE A 111 11.008 -4.294 20.495 1.00 0.34 H new ATOM 0 HD12 ILE A 111 11.042 -5.820 19.580 1.00 0.34 H new ATOM 0 HD13 ILE A 111 10.464 -5.805 21.263 1.00 0.34 H new ATOM 1727 N GLY A 112 14.933 -9.464 19.580 1.00 0.22 N ATOM 1728 CA GLY A 112 15.388 -10.871 19.721 1.00 0.23 C ATOM 1729 C GLY A 112 15.992 -11.044 21.113 1.00 0.43 C ATOM 1730 O GLY A 112 15.489 -10.516 22.085 1.00 0.74 O ATOM 0 H GLY A 112 15.617 -8.823 19.178 1.00 0.22 H new ATOM 0 HA2 GLY A 112 14.551 -11.556 19.583 1.00 0.23 H new ATOM 0 HA3 GLY A 112 16.126 -11.110 18.955 1.00 0.23 H new ATOM 1734 N ASP A 113 17.068 -11.765 21.220 1.00 0.29 N ATOM 1735 CA ASP A 113 17.700 -11.956 22.555 1.00 0.47 C ATOM 1736 C ASP A 113 18.964 -11.098 22.652 1.00 0.51 C ATOM 1737 O ASP A 113 19.652 -11.106 23.653 1.00 0.62 O ATOM 1738 CB ASP A 113 18.077 -13.423 22.733 1.00 0.58 C ATOM 1739 CG ASP A 113 17.424 -13.969 24.003 1.00 0.89 C ATOM 1740 OD1 ASP A 113 16.250 -13.706 24.202 1.00 2.05 O ATOM 1741 OD2 ASP A 113 18.110 -14.640 24.757 1.00 0.85 O ATOM 0 H ASP A 113 17.539 -12.231 20.444 1.00 0.29 H new ATOM 0 HA ASP A 113 16.996 -11.659 23.333 1.00 0.47 H new ATOM 0 HB2 ASP A 113 17.752 -14.000 21.868 1.00 0.58 H new ATOM 0 HB3 ASP A 113 19.160 -13.526 22.796 1.00 0.58 H new ATOM 1746 N ASN A 114 19.285 -10.370 21.618 1.00 0.44 N ATOM 1747 CA ASN A 114 20.516 -9.530 21.659 1.00 0.51 C ATOM 1748 C ASN A 114 20.155 -8.045 21.558 1.00 0.58 C ATOM 1749 O ASN A 114 21.021 -7.194 21.493 1.00 0.76 O ATOM 1750 CB ASN A 114 21.430 -9.914 20.492 1.00 0.41 C ATOM 1751 CG ASN A 114 21.877 -11.369 20.653 1.00 1.07 C ATOM 1752 OD1 ASN A 114 20.987 -12.323 20.612 1.00 1.65 O flip ATOM 1753 ND2 ASN A 114 23.050 -11.642 20.814 1.00 2.08 N flip ATOM 0 H ASN A 114 18.751 -10.320 20.750 1.00 0.44 H new ATOM 0 HA ASN A 114 21.030 -9.702 22.605 1.00 0.51 H new ATOM 0 HB2 ASN A 114 20.903 -9.786 19.546 1.00 0.41 H new ATOM 0 HB3 ASN A 114 22.299 -9.256 20.464 1.00 0.41 H new ATOM 0 HD21 ASN A 114 23.747 -10.898 20.846 1.00 2.08 H new ATOM 0 HD22 ASN A 114 23.338 -12.615 20.917 1.00 2.08 H new ATOM 1760 N GLY A 115 18.892 -7.717 21.546 1.00 0.50 N ATOM 1761 CA GLY A 115 18.503 -6.280 21.453 1.00 0.55 C ATOM 1762 C GLY A 115 17.260 -6.138 20.573 1.00 0.49 C ATOM 1763 O GLY A 115 16.529 -7.085 20.359 1.00 0.47 O ATOM 0 H GLY A 115 18.116 -8.377 21.596 1.00 0.50 H new ATOM 0 HA2 GLY A 115 18.303 -5.882 22.448 1.00 0.55 H new ATOM 0 HA3 GLY A 115 19.324 -5.697 21.036 1.00 0.55 H new ATOM 1767 N VAL A 116 17.012 -4.962 20.062 1.00 0.52 N ATOM 1768 CA VAL A 116 15.814 -4.769 19.198 1.00 0.48 C ATOM 1769 C VAL A 116 16.152 -5.159 17.758 1.00 0.46 C ATOM 1770 O VAL A 116 16.905 -4.488 17.082 1.00 0.51 O ATOM 1771 CB VAL A 116 15.388 -3.303 19.231 1.00 0.55 C ATOM 1772 CG1 VAL A 116 14.173 -3.126 18.330 1.00 0.86 C ATOM 1773 CG2 VAL A 116 15.032 -2.902 20.665 1.00 1.10 C ATOM 0 H VAL A 116 17.585 -4.130 20.205 1.00 0.52 H new ATOM 0 HA VAL A 116 15.002 -5.395 19.568 1.00 0.48 H new ATOM 0 HB VAL A 116 16.204 -2.671 18.880 1.00 0.55 H new ATOM 0 HG11 VAL A 116 13.858 -2.083 18.345 1.00 0.86 H new ATOM 0 HG12 VAL A 116 14.431 -3.413 17.311 1.00 0.86 H new ATOM 0 HG13 VAL A 116 13.359 -3.756 18.689 1.00 0.86 H new ATOM 0 HG21 VAL A 116 14.728 -1.855 20.685 1.00 1.10 H new ATOM 0 HG22 VAL A 116 14.213 -3.525 21.024 1.00 1.10 H new ATOM 0 HG23 VAL A 116 15.901 -3.040 21.308 1.00 1.10 H new ATOM 1783 N LEU A 117 15.595 -6.239 17.285 1.00 0.39 N ATOM 1784 CA LEU A 117 15.877 -6.681 15.888 1.00 0.37 C ATOM 1785 C LEU A 117 15.500 -5.580 14.888 1.00 0.43 C ATOM 1786 O LEU A 117 16.185 -5.365 13.908 1.00 0.50 O ATOM 1787 CB LEU A 117 15.064 -7.938 15.578 1.00 0.25 C ATOM 1788 CG LEU A 117 15.653 -9.126 16.335 1.00 0.30 C ATOM 1789 CD1 LEU A 117 14.704 -10.321 16.223 1.00 0.30 C ATOM 1790 CD2 LEU A 117 17.011 -9.491 15.729 1.00 0.40 C ATOM 0 H LEU A 117 14.954 -6.837 17.807 1.00 0.39 H new ATOM 0 HA LEU A 117 16.943 -6.892 15.798 1.00 0.37 H new ATOM 0 HB2 LEU A 117 14.023 -7.790 15.865 1.00 0.25 H new ATOM 0 HB3 LEU A 117 15.074 -8.135 14.506 1.00 0.25 H new ATOM 0 HG LEU A 117 15.783 -8.863 17.385 1.00 0.30 H new ATOM 0 HD11 LEU A 117 15.123 -11.170 16.763 1.00 0.30 H new ATOM 0 HD12 LEU A 117 13.737 -10.059 16.653 1.00 0.30 H new ATOM 0 HD13 LEU A 117 14.575 -10.586 15.174 1.00 0.30 H new ATOM 0 HD21 LEU A 117 17.434 -10.339 16.268 1.00 0.40 H new ATOM 0 HD22 LEU A 117 16.882 -9.756 14.680 1.00 0.40 H new ATOM 0 HD23 LEU A 117 17.686 -8.638 15.808 1.00 0.40 H new ATOM 1802 N ALA A 118 14.413 -4.889 15.113 1.00 0.48 N ATOM 1803 CA ALA A 118 14.001 -3.819 14.159 1.00 0.63 C ATOM 1804 C ALA A 118 13.202 -2.756 14.910 1.00 0.65 C ATOM 1805 O ALA A 118 12.908 -2.903 16.077 1.00 0.88 O ATOM 1806 CB ALA A 118 13.130 -4.434 13.060 1.00 0.66 C ATOM 0 H ALA A 118 13.795 -5.019 15.914 1.00 0.48 H new ATOM 0 HA ALA A 118 14.883 -3.361 13.712 1.00 0.63 H new ATOM 0 HB1 ALA A 118 12.826 -3.657 12.359 1.00 0.66 H new ATOM 0 HB2 ALA A 118 13.699 -5.198 12.530 1.00 0.66 H new ATOM 0 HB3 ALA A 118 12.245 -4.886 13.508 1.00 0.66 H new ATOM 1812 N CYS A 119 12.835 -1.686 14.264 1.00 0.45 N ATOM 1813 CA CYS A 119 12.052 -0.645 14.984 1.00 0.45 C ATOM 1814 C CYS A 119 11.479 0.366 13.984 1.00 0.37 C ATOM 1815 O CYS A 119 12.016 0.567 12.912 1.00 0.35 O ATOM 1816 CB CYS A 119 12.961 0.077 15.981 1.00 0.47 C ATOM 1817 SG CYS A 119 12.025 1.397 16.788 1.00 0.49 S ATOM 0 H CYS A 119 13.039 -1.488 13.284 1.00 0.45 H new ATOM 0 HA CYS A 119 11.229 -1.121 15.518 1.00 0.45 H new ATOM 0 HB2 CYS A 119 13.337 -0.626 16.724 1.00 0.47 H new ATOM 0 HB3 CYS A 119 13.828 0.491 15.467 1.00 0.47 H new ATOM 1822 N ALA A 120 10.389 1.005 14.323 1.00 0.40 N ATOM 1823 CA ALA A 120 9.789 1.999 13.391 1.00 0.35 C ATOM 1824 C ALA A 120 9.023 3.061 14.178 1.00 0.35 C ATOM 1825 O ALA A 120 8.477 2.796 15.229 1.00 0.32 O ATOM 1826 CB ALA A 120 8.817 1.299 12.442 1.00 0.45 C ATOM 0 H ALA A 120 9.891 0.880 15.204 1.00 0.40 H new ATOM 0 HA ALA A 120 10.591 2.469 12.823 1.00 0.35 H new ATOM 0 HB1 ALA A 120 8.381 2.031 11.762 1.00 0.45 H new ATOM 0 HB2 ALA A 120 9.351 0.543 11.867 1.00 0.45 H new ATOM 0 HB3 ALA A 120 8.024 0.823 13.019 1.00 0.45 H new ATOM 1832 N ILE A 121 8.962 4.255 13.663 1.00 0.40 N ATOM 1833 CA ILE A 121 8.210 5.337 14.356 1.00 0.44 C ATOM 1834 C ILE A 121 7.359 6.065 13.310 1.00 0.45 C ATOM 1835 O ILE A 121 7.876 6.655 12.386 1.00 0.45 O ATOM 1836 CB ILE A 121 9.202 6.312 14.996 1.00 0.48 C ATOM 1837 CG1 ILE A 121 9.842 5.652 16.219 1.00 0.37 C ATOM 1838 CG2 ILE A 121 8.481 7.589 15.432 1.00 0.53 C ATOM 1839 CD1 ILE A 121 11.355 5.869 16.180 1.00 0.71 C ATOM 0 H ILE A 121 9.404 4.531 12.786 1.00 0.40 H new ATOM 0 HA ILE A 121 7.571 4.925 15.137 1.00 0.44 H new ATOM 0 HB ILE A 121 9.970 6.568 14.266 1.00 0.48 H new ATOM 0 HG12 ILE A 121 9.426 6.075 17.133 1.00 0.37 H new ATOM 0 HG13 ILE A 121 9.617 4.586 16.230 1.00 0.37 H new ATOM 0 HG21 ILE A 121 9.197 8.274 15.886 1.00 0.53 H new ATOM 0 HG22 ILE A 121 8.024 8.064 14.563 1.00 0.53 H new ATOM 0 HG23 ILE A 121 7.707 7.340 16.158 1.00 0.53 H new ATOM 0 HD11 ILE A 121 11.812 5.399 17.051 1.00 0.71 H new ATOM 0 HD12 ILE A 121 11.763 5.425 15.272 1.00 0.71 H new ATOM 0 HD13 ILE A 121 11.570 6.938 16.189 1.00 0.71 H new ATOM 1851 N ALA A 122 6.062 6.020 13.434 1.00 0.47 N ATOM 1852 CA ALA A 122 5.202 6.701 12.425 1.00 0.49 C ATOM 1853 C ALA A 122 4.610 7.986 13.013 1.00 0.84 C ATOM 1854 O ALA A 122 3.907 7.963 14.003 1.00 1.48 O ATOM 1855 CB ALA A 122 4.066 5.759 12.012 1.00 0.62 C ATOM 0 H ALA A 122 5.562 5.544 14.185 1.00 0.47 H new ATOM 0 HA ALA A 122 5.807 6.957 11.555 1.00 0.49 H new ATOM 0 HB1 ALA A 122 3.434 6.253 11.274 1.00 0.62 H new ATOM 0 HB2 ALA A 122 4.486 4.850 11.581 1.00 0.62 H new ATOM 0 HB3 ALA A 122 3.469 5.503 12.887 1.00 0.62 H new ATOM 1861 N THR A 123 4.884 9.105 12.398 1.00 0.52 N ATOM 1862 CA THR A 123 4.333 10.394 12.905 1.00 0.87 C ATOM 1863 C THR A 123 3.086 10.754 12.092 1.00 0.76 C ATOM 1864 O THR A 123 2.450 9.897 11.510 1.00 2.17 O ATOM 1865 CB THR A 123 5.387 11.495 12.750 1.00 1.11 C ATOM 1866 OG1 THR A 123 6.676 10.902 12.643 1.00 2.04 O ATOM 1867 CG2 THR A 123 5.348 12.416 13.971 1.00 2.43 C ATOM 0 H THR A 123 5.467 9.182 11.565 1.00 0.52 H new ATOM 0 HA THR A 123 4.069 10.298 13.958 1.00 0.87 H new ATOM 0 HB THR A 123 5.177 12.076 11.852 1.00 1.11 H new ATOM 0 HG1 THR A 123 7.352 11.604 12.542 1.00 2.04 H new ATOM 0 HG21 THR A 123 6.098 13.199 13.860 1.00 2.43 H new ATOM 0 HG22 THR A 123 4.360 12.869 14.054 1.00 2.43 H new ATOM 0 HG23 THR A 123 5.558 11.837 14.870 1.00 2.43 H new ATOM 1875 N HIS A 124 2.726 12.009 12.043 1.00 1.09 N ATOM 1876 CA HIS A 124 1.516 12.397 11.262 1.00 0.73 C ATOM 1877 C HIS A 124 0.374 11.437 11.603 1.00 0.98 C ATOM 1878 O HIS A 124 -0.479 11.154 10.784 1.00 2.18 O ATOM 1879 CB HIS A 124 1.827 12.301 9.765 1.00 0.35 C ATOM 1880 CG HIS A 124 1.257 13.493 9.043 1.00 0.47 C ATOM 1881 ND1 HIS A 124 0.659 13.386 7.796 1.00 1.67 N ATOM 1882 CD2 HIS A 124 1.190 14.823 9.376 1.00 0.76 C ATOM 1883 CE1 HIS A 124 0.264 14.618 7.428 1.00 2.01 C ATOM 1884 NE2 HIS A 124 0.561 15.532 8.355 1.00 1.29 N ATOM 0 H HIS A 124 3.213 12.776 12.506 1.00 1.09 H new ATOM 0 HA HIS A 124 1.228 13.419 11.510 1.00 0.73 H new ATOM 0 HB2 HIS A 124 2.905 12.254 9.611 1.00 0.35 H new ATOM 0 HB3 HIS A 124 1.406 11.382 9.356 1.00 0.35 H new ATOM 0 HD2 HIS A 124 1.568 15.255 10.291 1.00 0.76 H new ATOM 0 HE1 HIS A 124 -0.233 14.841 6.496 1.00 2.01 H new ATOM 0 HE2 HIS A 124 0.369 16.533 8.323 1.00 1.29 H new ATOM 1892 N GLY A 125 0.354 10.921 12.802 1.00 0.29 N ATOM 1893 CA GLY A 125 -0.726 9.967 13.182 1.00 0.12 C ATOM 1894 C GLY A 125 -1.806 10.677 13.997 1.00 0.21 C ATOM 1895 O GLY A 125 -1.572 11.685 14.629 1.00 0.26 O ATOM 0 H GLY A 125 1.037 11.118 13.533 1.00 0.29 H new ATOM 0 HA2 GLY A 125 -1.167 9.531 12.285 1.00 0.12 H new ATOM 0 HA3 GLY A 125 -0.306 9.145 13.762 1.00 0.12 H new ATOM 1899 N LYS A 126 -2.991 10.138 13.982 1.00 0.23 N ATOM 1900 CA LYS A 126 -4.116 10.731 14.755 1.00 0.27 C ATOM 1901 C LYS A 126 -5.105 9.599 15.070 1.00 0.22 C ATOM 1902 O LYS A 126 -5.386 8.775 14.224 1.00 0.27 O ATOM 1903 CB LYS A 126 -4.794 11.813 13.917 1.00 0.41 C ATOM 1904 CG LYS A 126 -3.765 12.896 13.584 1.00 0.38 C ATOM 1905 CD LYS A 126 -4.455 14.069 12.886 1.00 0.62 C ATOM 1906 CE LYS A 126 -3.398 15.033 12.342 1.00 1.36 C ATOM 1907 NZ LYS A 126 -3.067 16.050 13.379 1.00 2.97 N ATOM 0 H LYS A 126 -3.232 9.297 13.458 1.00 0.23 H new ATOM 0 HA LYS A 126 -3.761 11.188 15.679 1.00 0.27 H new ATOM 0 HB2 LYS A 126 -5.199 11.383 13.001 1.00 0.41 H new ATOM 0 HB3 LYS A 126 -5.632 12.244 14.464 1.00 0.41 H new ATOM 0 HG2 LYS A 126 -3.277 13.240 14.496 1.00 0.38 H new ATOM 0 HG3 LYS A 126 -2.986 12.485 12.941 1.00 0.38 H new ATOM 0 HD2 LYS A 126 -5.082 13.704 12.073 1.00 0.62 H new ATOM 0 HD3 LYS A 126 -5.110 14.588 13.586 1.00 0.62 H new ATOM 0 HE2 LYS A 126 -2.501 14.483 12.059 1.00 1.36 H new ATOM 0 HE3 LYS A 126 -3.768 15.524 11.442 1.00 1.36 H new ATOM 0 HZ1 LYS A 126 -2.349 16.704 13.007 1.00 2.97 H new ATOM 0 HZ2 LYS A 126 -3.924 16.583 13.629 1.00 2.97 H new ATOM 0 HZ3 LYS A 126 -2.696 15.574 14.226 1.00 2.97 H new ATOM 1921 N ILE A 127 -5.619 9.516 16.268 1.00 0.13 N ATOM 1922 CA ILE A 127 -6.557 8.396 16.578 1.00 0.11 C ATOM 1923 C ILE A 127 -7.996 8.889 16.702 1.00 0.08 C ATOM 1924 O ILE A 127 -8.270 9.868 17.363 1.00 0.22 O ATOM 1925 CB ILE A 127 -6.159 7.753 17.900 1.00 0.09 C ATOM 1926 CG1 ILE A 127 -4.830 7.027 17.727 1.00 0.13 C ATOM 1927 CG2 ILE A 127 -7.233 6.746 18.309 1.00 0.18 C ATOM 1928 CD1 ILE A 127 -4.421 6.401 19.059 1.00 0.26 C ATOM 0 H ILE A 127 -5.435 10.163 17.035 1.00 0.13 H new ATOM 0 HA ILE A 127 -6.498 7.678 15.760 1.00 0.11 H new ATOM 0 HB ILE A 127 -6.060 8.520 18.668 1.00 0.09 H new ATOM 0 HG12 ILE A 127 -4.920 6.256 16.962 1.00 0.13 H new ATOM 0 HG13 ILE A 127 -4.063 7.724 17.388 1.00 0.13 H new ATOM 0 HG21 ILE A 127 -6.955 6.281 19.255 1.00 0.18 H new ATOM 0 HG22 ILE A 127 -8.188 7.259 18.424 1.00 0.18 H new ATOM 0 HG23 ILE A 127 -7.323 5.978 17.541 1.00 0.18 H new ATOM 0 HD11 ILE A 127 -3.471 5.881 18.940 1.00 0.26 H new ATOM 0 HD12 ILE A 127 -4.315 7.183 19.811 1.00 0.26 H new ATOM 0 HD13 ILE A 127 -5.185 5.692 19.378 1.00 0.26 H new ATOM 1940 N ARG A 128 -8.918 8.184 16.095 1.00 0.27 N ATOM 1941 CA ARG A 128 -10.356 8.566 16.195 1.00 0.21 C ATOM 1942 C ARG A 128 -11.116 7.446 16.918 1.00 0.16 C ATOM 1943 O ARG A 128 -10.556 6.419 17.248 1.00 0.21 O ATOM 1944 CB ARG A 128 -10.962 8.723 14.808 1.00 0.16 C ATOM 1945 CG ARG A 128 -10.559 10.061 14.192 1.00 0.32 C ATOM 1946 CD ARG A 128 -9.161 10.459 14.658 1.00 2.67 C ATOM 1947 NE ARG A 128 -8.720 11.659 13.899 1.00 2.59 N ATOM 1948 CZ ARG A 128 -9.544 12.243 13.072 1.00 2.53 C ATOM 1949 NH1 ARG A 128 -10.503 13.000 13.534 1.00 2.08 N ATOM 1950 NH2 ARG A 128 -9.418 12.055 11.786 1.00 3.14 N ATOM 0 H ARG A 128 -8.732 7.355 15.531 1.00 0.27 H new ATOM 0 HA ARG A 128 -10.432 9.509 16.737 1.00 0.21 H new ATOM 0 HB2 ARG A 128 -10.630 7.907 14.166 1.00 0.16 H new ATOM 0 HB3 ARG A 128 -12.048 8.658 14.871 1.00 0.16 H new ATOM 0 HG2 ARG A 128 -10.581 9.990 13.105 1.00 0.32 H new ATOM 0 HG3 ARG A 128 -11.277 10.831 14.475 1.00 0.32 H new ATOM 0 HD2 ARG A 128 -9.167 10.671 15.727 1.00 2.67 H new ATOM 0 HD3 ARG A 128 -8.463 9.637 14.500 1.00 2.67 H new ATOM 0 HE ARG A 128 -7.776 12.025 14.024 1.00 2.59 H new ATOM 0 HH11 ARG A 128 -10.607 13.134 14.540 1.00 2.08 H new ATOM 0 HH12 ARG A 128 -11.148 13.457 12.889 1.00 2.08 H new ATOM 0 HH21 ARG A 128 -8.676 11.452 11.429 1.00 3.14 H new ATOM 0 HH22 ARG A 128 -10.061 12.511 11.139 1.00 3.14 H new ATOM 1964 N ASP A 129 -12.390 7.629 17.154 1.00 0.11 N ATOM 1965 CA ASP A 129 -13.184 6.571 17.848 1.00 0.16 C ATOM 1966 C ASP A 129 -13.617 5.508 16.837 1.00 0.57 C ATOM 1967 O ASP A 129 -13.880 5.869 15.701 1.00 0.39 O ATOM 1968 CB ASP A 129 -14.428 7.199 18.484 1.00 0.36 C ATOM 1969 CG ASP A 129 -15.183 6.139 19.290 1.00 0.11 C ATOM 1970 OD1 ASP A 129 -14.530 5.357 19.963 1.00 0.60 O ATOM 1971 OD2 ASP A 129 -16.401 6.130 19.224 1.00 0.66 O ATOM 1972 OXT ASP A 129 -13.681 4.351 17.218 1.00 1.20 O ATOM 0 H ASP A 129 -12.914 8.465 16.896 1.00 0.11 H new ATOM 0 HA ASP A 129 -12.570 6.110 18.622 1.00 0.16 H new ATOM 0 HB2 ASP A 129 -14.139 8.026 19.133 1.00 0.36 H new ATOM 0 HB3 ASP A 129 -15.075 7.612 17.710 1.00 0.36 H new