USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 853 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 82 LYS NZ :NH3+ -128:sc= -6.55! (180deg=-3.31!) USER MOD Set 1.2: A 84 GLN : amide:sc= -4.96! C(o=-12!,f=-3.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 142:sc= -0.332 (180deg=-1.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00069 USER MOD Single : A 12 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 143:sc= -0.206! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -0.135 (180deg=-0.221) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -1.52 (180deg=-3.94!) USER MOD Single : A 43 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.15) USER MOD Single : A 44 SER OG : rot -25:sc= -0.0858 USER MOD Single : A 46 SER OG : rot 111:sc= -0.322 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0082 (180deg=-0.141) USER MOD Single : A 49 TYR OH : rot 158:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.31 K(o=-1.3,f=-1.9) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 67 SER OG : rot 73:sc= 0.973 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 121:sc= -0.653 USER MOD Single : A 76 THR OG1 : rot -57:sc= -0.61 USER MOD Single : A 78 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= -3.09! (180deg=-5.73!) USER MOD Single : A 90 SER OG : rot 141:sc= 1.06 USER MOD Single : A 93 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.181) USER MOD Single : A 100 THR OG1 : rot 80:sc= 0.555 USER MOD Single : A 102 ASN : amide:sc= -1.02 X(o=-1,f=-1.3!) USER MOD Single : B 5 TYR OH : rot 6:sc= -2.81! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.017 -1.653 9.070 1.00 0.24 N ATOM 21 CA VAL A 2 -2.793 -1.617 8.212 1.00 0.19 C ATOM 22 C VAL A 2 -2.022 -2.930 8.366 1.00 0.22 C ATOM 23 O VAL A 2 -2.350 -3.761 9.190 1.00 0.28 O ATOM 24 CB VAL A 2 -1.909 -0.442 8.652 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.689 -0.324 7.725 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.726 0.854 8.598 1.00 0.30 C ATOM 0 HA VAL A 2 -3.077 -1.490 7.167 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.562 -0.615 9.671 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.068 0.513 8.045 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.108 -1.245 7.769 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.025 -0.156 6.702 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.101 1.691 8.910 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.075 1.022 7.579 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.583 0.772 9.266 1.00 0.30 H new ATOM 36 N LYS A 3 -0.994 -3.123 7.581 1.00 0.18 N ATOM 37 CA LYS A 3 -0.193 -4.379 7.680 1.00 0.22 C ATOM 38 C LYS A 3 1.230 -4.105 7.193 1.00 0.16 C ATOM 39 O LYS A 3 1.443 -3.673 6.076 1.00 0.13 O ATOM 40 CB LYS A 3 -0.824 -5.471 6.805 1.00 0.26 C ATOM 41 CG LYS A 3 -0.116 -6.820 7.030 1.00 0.34 C ATOM 42 CD LYS A 3 -0.690 -7.528 8.261 1.00 0.81 C ATOM 43 CE LYS A 3 -0.063 -8.919 8.382 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.609 -9.607 9.586 1.00 1.97 N ATOM 0 H LYS A 3 -0.674 -2.462 6.873 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.175 -4.715 8.717 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.884 -5.566 7.041 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.755 -5.188 5.755 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.237 -7.452 6.150 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.954 -6.658 7.162 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.485 -6.945 9.159 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.773 -7.611 8.175 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.276 -9.505 7.488 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.021 -8.836 8.458 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.183 -10.552 9.669 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.384 -9.051 10.435 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.641 -9.699 9.495 1.00 1.97 H new ATOM 58 N GLN A 4 2.204 -4.357 8.023 1.00 0.18 N ATOM 59 CA GLN A 4 3.618 -4.118 7.618 1.00 0.15 C ATOM 60 C GLN A 4 4.185 -5.385 6.974 1.00 0.13 C ATOM 61 O GLN A 4 4.110 -6.466 7.522 1.00 0.14 O ATOM 62 CB GLN A 4 4.444 -3.754 8.860 1.00 0.20 C ATOM 63 CG GLN A 4 5.950 -3.906 8.568 1.00 0.21 C ATOM 64 CD GLN A 4 6.763 -3.087 9.572 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.378 -2.947 10.715 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.882 -2.536 9.186 1.00 0.98 N ATOM 0 H GLN A 4 2.081 -4.720 8.968 1.00 0.18 H new ATOM 0 HA GLN A 4 3.662 -3.300 6.899 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.227 -2.729 9.161 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.162 -4.397 9.693 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.236 -4.956 8.627 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.168 -3.573 7.553 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.204 -2.655 8.225 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.434 -1.987 9.845 1.00 0.98 H new ATOM 75 N ILE A 5 4.770 -5.244 5.818 1.00 0.10 N ATOM 76 CA ILE A 5 5.377 -6.412 5.118 1.00 0.10 C ATOM 77 C ILE A 5 6.888 -6.336 5.334 1.00 0.10 C ATOM 78 O ILE A 5 7.518 -5.367 4.965 1.00 0.11 O ATOM 79 CB ILE A 5 5.092 -6.316 3.616 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.587 -6.091 3.341 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.575 -7.585 2.908 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.695 -6.976 4.229 1.00 0.19 C ATOM 0 H ILE A 5 4.855 -4.357 5.321 1.00 0.10 H new ATOM 0 HA ILE A 5 4.965 -7.345 5.503 1.00 0.10 H new ATOM 0 HB ILE A 5 5.636 -5.457 3.224 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.341 -5.043 3.512 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.376 -6.301 2.293 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.368 -7.507 1.841 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.648 -7.702 3.062 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.054 -8.451 3.317 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.647 -6.783 4.000 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.920 -8.026 4.040 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.885 -6.748 5.278 1.00 0.19 H new ATOM 94 N GLU A 6 7.474 -7.333 5.940 1.00 0.11 N ATOM 95 CA GLU A 6 8.950 -7.303 6.192 1.00 0.14 C ATOM 96 C GLU A 6 9.659 -8.290 5.261 1.00 0.14 C ATOM 97 O GLU A 6 10.857 -8.223 5.071 1.00 0.17 O ATOM 98 CB GLU A 6 9.209 -7.698 7.643 1.00 0.18 C ATOM 99 CG GLU A 6 8.246 -6.944 8.563 1.00 0.31 C ATOM 100 CD GLU A 6 8.553 -7.295 10.019 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.695 -7.133 10.418 1.00 1.97 O ATOM 102 OE2 GLU A 6 7.643 -7.721 10.710 1.00 1.96 O ATOM 0 H GLU A 6 6.996 -8.170 6.273 1.00 0.11 H new ATOM 0 HA GLU A 6 9.333 -6.300 6.003 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.078 -8.773 7.766 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.240 -7.469 7.914 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.344 -5.870 8.408 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.216 -7.208 8.324 1.00 0.31 H new ATOM 109 N SER A 7 8.934 -9.206 4.676 1.00 0.13 N ATOM 110 CA SER A 7 9.575 -10.193 3.757 1.00 0.15 C ATOM 111 C SER A 7 8.560 -10.670 2.721 1.00 0.14 C ATOM 112 O SER A 7 7.364 -10.552 2.906 1.00 0.12 O ATOM 113 CB SER A 7 10.078 -11.386 4.564 1.00 0.20 C ATOM 114 OG SER A 7 8.998 -11.942 5.303 1.00 0.23 O ATOM 0 H SER A 7 7.927 -9.314 4.794 1.00 0.13 H new ATOM 0 HA SER A 7 10.413 -9.718 3.246 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.503 -12.137 3.898 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.873 -11.073 5.240 1.00 0.20 H new ATOM 0 HG SER A 7 9.317 -12.710 5.821 1.00 0.23 H new ATOM 120 N LYS A 8 9.029 -11.206 1.631 1.00 0.15 N ATOM 121 CA LYS A 8 8.100 -11.694 0.577 1.00 0.14 C ATOM 122 C LYS A 8 7.063 -12.636 1.200 1.00 0.14 C ATOM 123 O LYS A 8 5.940 -12.725 0.748 1.00 0.13 O ATOM 124 CB LYS A 8 8.899 -12.446 -0.490 1.00 0.17 C ATOM 125 CG LYS A 8 8.047 -12.613 -1.749 1.00 0.21 C ATOM 126 CD LYS A 8 8.760 -13.551 -2.727 1.00 0.22 C ATOM 127 CE LYS A 8 8.114 -13.438 -4.108 1.00 1.06 C ATOM 128 NZ LYS A 8 8.449 -12.116 -4.707 1.00 1.90 N ATOM 0 H LYS A 8 10.020 -11.328 1.424 1.00 0.15 H new ATOM 0 HA LYS A 8 7.587 -10.847 0.122 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.812 -11.900 -0.727 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.201 -13.422 -0.111 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.069 -13.017 -1.488 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.877 -11.643 -2.217 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.818 -13.295 -2.787 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.701 -14.579 -2.370 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.468 -14.242 -4.754 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.033 -13.548 -4.025 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.614 -12.229 -5.728 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.660 -11.456 -4.554 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.308 -11.739 -4.258 1.00 1.90 H new ATOM 142 N THR A 9 7.436 -13.349 2.229 1.00 0.16 N ATOM 143 CA THR A 9 6.476 -14.291 2.874 1.00 0.18 C ATOM 144 C THR A 9 5.256 -13.526 3.391 1.00 0.16 C ATOM 145 O THR A 9 4.128 -13.921 3.176 1.00 0.17 O ATOM 146 CB THR A 9 7.163 -14.998 4.037 1.00 0.21 C ATOM 147 OG1 THR A 9 8.446 -15.450 3.628 1.00 0.24 O ATOM 148 CG2 THR A 9 6.317 -16.190 4.488 1.00 0.25 C ATOM 0 H THR A 9 8.364 -13.320 2.651 1.00 0.16 H new ATOM 0 HA THR A 9 6.149 -15.026 2.138 1.00 0.18 H new ATOM 0 HB THR A 9 7.273 -14.301 4.868 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.887 -15.903 4.377 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.811 -16.693 5.319 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.336 -15.840 4.807 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.201 -16.888 3.659 1.00 0.25 H new ATOM 156 N ALA A 10 5.474 -12.439 4.076 1.00 0.16 N ATOM 157 CA ALA A 10 4.328 -11.651 4.614 1.00 0.17 C ATOM 158 C ALA A 10 3.562 -11.002 3.459 1.00 0.15 C ATOM 159 O ALA A 10 2.381 -10.737 3.558 1.00 0.17 O ATOM 160 CB ALA A 10 4.856 -10.565 5.553 1.00 0.20 C ATOM 0 H ALA A 10 6.397 -12.061 4.288 1.00 0.16 H new ATOM 0 HA ALA A 10 3.658 -12.313 5.162 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.020 -9.987 5.948 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.398 -11.029 6.377 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.527 -9.904 5.004 1.00 0.20 H new ATOM 166 N PHE A 11 4.224 -10.744 2.365 1.00 0.12 N ATOM 167 CA PHE A 11 3.529 -10.111 1.210 1.00 0.11 C ATOM 168 C PHE A 11 2.385 -11.008 0.738 1.00 0.13 C ATOM 169 O PHE A 11 1.228 -10.675 0.883 1.00 0.16 O ATOM 170 CB PHE A 11 4.519 -9.902 0.063 1.00 0.10 C ATOM 171 CG PHE A 11 3.811 -9.258 -1.108 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.368 -7.924 -1.013 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.601 -9.985 -2.298 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.716 -7.319 -2.103 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.947 -9.379 -3.387 1.00 0.18 C ATOM 176 CZ PHE A 11 2.504 -8.045 -3.291 1.00 0.21 C ATOM 0 H PHE A 11 5.214 -10.944 2.221 1.00 0.12 H new ATOM 0 HA PHE A 11 3.127 -9.147 1.522 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.345 -9.272 0.393 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.948 -10.857 -0.239 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.529 -7.365 -0.103 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.942 -11.007 -2.374 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.377 -6.296 -2.029 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.785 -9.937 -4.297 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.003 -7.580 -4.127 1.00 0.21 H new ATOM 186 N GLN A 12 2.697 -12.141 0.170 1.00 0.15 N ATOM 187 CA GLN A 12 1.621 -13.048 -0.320 1.00 0.19 C ATOM 188 C GLN A 12 0.629 -13.330 0.809 1.00 0.17 C ATOM 189 O GLN A 12 -0.570 -13.301 0.615 1.00 0.16 O ATOM 190 CB GLN A 12 2.242 -14.365 -0.791 1.00 0.24 C ATOM 191 CG GLN A 12 3.110 -14.107 -2.023 1.00 1.21 C ATOM 192 CD GLN A 12 3.710 -15.427 -2.511 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.880 -15.495 -2.831 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.952 -16.488 -2.580 1.00 2.47 N ATOM 0 H GLN A 12 3.649 -12.477 0.024 1.00 0.15 H new ATOM 0 HA GLN A 12 1.098 -12.572 -1.149 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.844 -14.801 0.006 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.458 -15.084 -1.029 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.512 -13.653 -2.813 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.905 -13.402 -1.780 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.970 -16.431 -2.311 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.342 -17.373 -2.902 1.00 2.47 H new ATOM 203 N GLU A 13 1.115 -13.604 1.986 1.00 0.19 N ATOM 204 CA GLU A 13 0.195 -13.885 3.118 1.00 0.20 C ATOM 205 C GLU A 13 -0.736 -12.687 3.334 1.00 0.18 C ATOM 206 O GLU A 13 -1.898 -12.845 3.651 1.00 0.19 O ATOM 207 CB GLU A 13 1.017 -14.145 4.384 1.00 0.25 C ATOM 208 CG GLU A 13 1.561 -15.576 4.368 1.00 0.30 C ATOM 209 CD GLU A 13 2.628 -15.729 5.454 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.880 -14.758 6.150 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.175 -16.812 5.570 1.00 2.03 O ATOM 0 H GLU A 13 2.109 -13.645 2.212 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.407 -14.765 2.892 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.841 -13.434 4.445 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.398 -13.992 5.268 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.751 -16.286 4.536 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.987 -15.804 3.391 1.00 0.30 H new ATOM 218 N ALA A 14 -0.240 -11.493 3.162 1.00 0.18 N ATOM 219 CA ALA A 14 -1.107 -10.297 3.356 1.00 0.18 C ATOM 220 C ALA A 14 -2.275 -10.357 2.362 1.00 0.18 C ATOM 221 O ALA A 14 -3.417 -10.134 2.712 1.00 0.19 O ATOM 222 CB ALA A 14 -0.288 -9.031 3.106 1.00 0.20 C ATOM 0 H ALA A 14 0.725 -11.294 2.896 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.493 -10.282 4.375 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.921 -8.155 3.247 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.546 -8.993 3.806 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.095 -9.041 2.086 1.00 0.20 H new ATOM 228 N LEU A 15 -1.988 -10.661 1.123 1.00 0.17 N ATOM 229 CA LEU A 15 -3.064 -10.745 0.089 1.00 0.18 C ATOM 230 C LEU A 15 -4.023 -11.888 0.431 1.00 0.18 C ATOM 231 O LEU A 15 -5.227 -11.745 0.357 1.00 0.18 O ATOM 232 CB LEU A 15 -2.429 -11.002 -1.283 1.00 0.19 C ATOM 233 CG LEU A 15 -1.173 -10.141 -1.443 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.633 -10.287 -2.866 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.521 -8.674 -1.180 1.00 0.62 C ATOM 0 H LEU A 15 -1.047 -10.856 0.780 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.619 -9.807 0.067 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.173 -12.057 -1.384 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.143 -10.770 -2.073 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.416 -10.469 -0.730 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.261 -9.674 -2.981 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.384 -11.331 -3.055 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.391 -9.960 -3.578 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.626 -8.062 -1.294 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.278 -8.346 -1.892 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.907 -8.568 -0.166 1.00 0.62 H new ATOM 247 N ASP A 16 -3.499 -13.025 0.797 1.00 0.19 N ATOM 248 CA ASP A 16 -4.383 -14.177 1.134 1.00 0.21 C ATOM 249 C ASP A 16 -5.249 -13.825 2.344 1.00 0.20 C ATOM 250 O ASP A 16 -6.421 -14.140 2.391 1.00 0.20 O ATOM 251 CB ASP A 16 -3.524 -15.399 1.460 1.00 0.24 C ATOM 252 CG ASP A 16 -4.404 -16.649 1.484 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.317 -16.723 0.677 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.153 -17.511 2.309 1.00 1.07 O ATOM 0 H ASP A 16 -2.499 -13.207 0.877 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.026 -14.400 0.283 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.735 -15.511 0.716 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.036 -15.266 2.425 1.00 0.24 H new ATOM 259 N ALA A 17 -4.684 -13.178 3.325 1.00 0.22 N ATOM 260 CA ALA A 17 -5.482 -12.812 4.529 1.00 0.24 C ATOM 261 C ALA A 17 -6.319 -11.566 4.227 1.00 0.21 C ATOM 262 O ALA A 17 -7.225 -11.224 4.962 1.00 0.22 O ATOM 263 CB ALA A 17 -4.537 -12.519 5.696 1.00 0.30 C ATOM 0 H ALA A 17 -3.707 -12.887 3.346 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.142 -13.638 4.793 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.120 -12.251 6.577 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.939 -13.405 5.911 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.878 -11.692 5.432 1.00 0.30 H new ATOM 269 N ALA A 18 -6.025 -10.885 3.153 1.00 0.21 N ATOM 270 CA ALA A 18 -6.805 -9.663 2.808 1.00 0.22 C ATOM 271 C ALA A 18 -8.229 -10.055 2.409 1.00 0.21 C ATOM 272 O ALA A 18 -9.074 -9.210 2.185 1.00 0.24 O ATOM 273 CB ALA A 18 -6.130 -8.940 1.641 1.00 0.23 C ATOM 0 H ALA A 18 -5.278 -11.122 2.500 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.842 -9.003 3.674 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.700 -8.046 1.388 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.117 -8.656 1.926 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.091 -9.602 0.776 1.00 0.23 H new ATOM 279 N GLY A 19 -8.503 -11.327 2.317 1.00 0.22 N ATOM 280 CA GLY A 19 -9.874 -11.766 1.929 1.00 0.24 C ATOM 281 C GLY A 19 -10.137 -11.390 0.471 1.00 0.20 C ATOM 282 O GLY A 19 -9.508 -11.903 -0.434 1.00 0.28 O ATOM 0 H GLY A 19 -7.839 -12.081 2.493 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.973 -12.843 2.061 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.615 -11.296 2.576 1.00 0.24 H new ATOM 286 N ASP A 20 -11.063 -10.494 0.233 1.00 0.13 N ATOM 287 CA ASP A 20 -11.377 -10.074 -1.169 1.00 0.18 C ATOM 288 C ASP A 20 -11.534 -8.554 -1.222 1.00 0.15 C ATOM 289 O ASP A 20 -11.857 -7.992 -2.250 1.00 0.22 O ATOM 290 CB ASP A 20 -12.682 -10.734 -1.620 1.00 0.26 C ATOM 291 CG ASP A 20 -12.509 -12.253 -1.634 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.375 -12.700 -1.665 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.514 -12.945 -1.616 1.00 2.19 O ATOM 0 H ASP A 20 -11.618 -10.033 0.954 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.566 -10.381 -1.829 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.493 -10.456 -0.947 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.956 -10.380 -2.614 1.00 0.26 H new ATOM 298 N LYS A 21 -11.302 -7.878 -0.128 1.00 0.12 N ATOM 299 CA LYS A 21 -11.434 -6.397 -0.136 1.00 0.19 C ATOM 300 C LYS A 21 -10.304 -5.804 -0.970 1.00 0.15 C ATOM 301 O LYS A 21 -9.379 -6.490 -1.355 1.00 0.15 O ATOM 302 CB LYS A 21 -11.342 -5.872 1.295 1.00 0.27 C ATOM 303 CG LYS A 21 -12.661 -6.139 2.016 1.00 0.29 C ATOM 304 CD LYS A 21 -12.466 -5.939 3.514 1.00 0.30 C ATOM 305 CE LYS A 21 -13.829 -5.923 4.197 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.647 -5.978 5.676 1.00 1.90 N ATOM 0 H LYS A 21 -11.028 -8.287 0.765 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.396 -6.113 -0.563 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.521 -6.359 1.821 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.127 -4.803 1.289 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.434 -5.466 1.645 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.000 -7.155 1.814 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.850 -6.740 3.923 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.940 -5.003 3.703 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.375 -5.021 3.921 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.425 -6.772 3.862 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.577 -5.967 6.141 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.143 -6.851 5.931 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.094 -5.154 5.989 1.00 1.90 H new ATOM 320 N LEU A 22 -10.368 -4.537 -1.254 1.00 0.13 N ATOM 321 CA LEU A 22 -9.292 -3.917 -2.060 1.00 0.11 C ATOM 322 C LEU A 22 -7.984 -3.992 -1.253 1.00 0.10 C ATOM 323 O LEU A 22 -8.001 -4.205 -0.057 1.00 0.11 O ATOM 324 CB LEU A 22 -9.671 -2.446 -2.357 1.00 0.12 C ATOM 325 CG LEU A 22 -9.387 -2.060 -3.823 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.682 -0.556 -4.010 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.919 -2.353 -4.189 1.00 0.11 C ATOM 0 H LEU A 22 -11.116 -3.908 -0.963 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.161 -4.439 -3.008 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.728 -2.293 -2.140 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.111 -1.787 -1.694 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.027 -2.651 -4.479 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.484 -0.272 -5.044 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.727 -0.358 -3.773 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.043 0.026 -3.346 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.740 -2.073 -5.227 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.260 -1.777 -3.539 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.717 -3.416 -4.060 1.00 0.11 H new ATOM 339 N VAL A 23 -6.854 -3.816 -1.886 1.00 0.08 N ATOM 340 CA VAL A 23 -5.560 -3.874 -1.142 1.00 0.09 C ATOM 341 C VAL A 23 -4.576 -2.876 -1.757 1.00 0.08 C ATOM 342 O VAL A 23 -4.015 -3.116 -2.807 1.00 0.09 O ATOM 343 CB VAL A 23 -4.979 -5.286 -1.236 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.826 -5.432 -0.242 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.070 -6.307 -0.904 1.00 0.10 C ATOM 0 H VAL A 23 -6.771 -3.635 -2.886 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.730 -3.621 -0.095 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.610 -5.461 -2.247 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.413 -6.438 -0.310 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.049 -4.704 -0.476 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.193 -5.258 0.769 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.658 -7.314 -0.970 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.437 -6.131 0.107 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.892 -6.204 -1.612 1.00 0.10 H new ATOM 355 N VAL A 24 -4.357 -1.759 -1.105 1.00 0.08 N ATOM 356 CA VAL A 24 -3.403 -0.739 -1.642 1.00 0.08 C ATOM 357 C VAL A 24 -2.081 -0.851 -0.884 1.00 0.08 C ATOM 358 O VAL A 24 -2.048 -0.895 0.330 1.00 0.08 O ATOM 359 CB VAL A 24 -3.992 0.661 -1.466 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.238 1.654 -2.353 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.469 0.641 -1.860 1.00 0.09 C ATOM 0 H VAL A 24 -4.800 -1.510 -0.221 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.230 -0.915 -2.704 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.896 0.967 -0.424 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.661 2.650 -2.225 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.185 1.667 -2.071 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.330 1.353 -3.396 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.892 1.638 -1.736 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.564 0.334 -2.902 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.006 -0.063 -1.224 1.00 0.09 H new ATOM 371 N VAL A 25 -0.991 -0.919 -1.601 1.00 0.09 N ATOM 372 CA VAL A 25 0.353 -1.056 -0.956 1.00 0.09 C ATOM 373 C VAL A 25 1.135 0.245 -1.118 1.00 0.10 C ATOM 374 O VAL A 25 1.202 0.808 -2.190 1.00 0.17 O ATOM 375 CB VAL A 25 1.121 -2.185 -1.648 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.295 -2.629 -0.773 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.182 -3.370 -1.885 1.00 0.09 C ATOM 0 H VAL A 25 -0.972 -0.885 -2.620 1.00 0.09 H new ATOM 0 HA VAL A 25 0.228 -1.277 0.104 1.00 0.09 H new ATOM 0 HB VAL A 25 1.503 -1.826 -2.603 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.837 -3.433 -1.272 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.966 -1.786 -0.609 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.919 -2.985 0.186 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.728 -4.174 -2.378 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.204 -3.726 -0.929 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.649 -3.055 -2.517 1.00 0.09 H new ATOM 387 N ASP A 26 1.736 0.716 -0.060 1.00 0.08 N ATOM 388 CA ASP A 26 2.533 1.979 -0.131 1.00 0.08 C ATOM 389 C ASP A 26 4.024 1.645 -0.060 1.00 0.08 C ATOM 390 O ASP A 26 4.558 1.372 0.997 1.00 0.09 O ATOM 391 CB ASP A 26 2.158 2.873 1.052 1.00 0.09 C ATOM 392 CG ASP A 26 3.061 4.108 1.066 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.200 4.728 0.024 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.598 4.414 2.118 1.00 0.96 O ATOM 0 H ASP A 26 1.710 0.277 0.860 1.00 0.08 H new ATOM 0 HA ASP A 26 2.321 2.496 -1.067 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.113 3.174 0.977 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.264 2.321 1.986 1.00 0.09 H new ATOM 399 N PHE A 27 4.709 1.680 -1.172 1.00 0.08 N ATOM 400 CA PHE A 27 6.168 1.383 -1.156 1.00 0.09 C ATOM 401 C PHE A 27 6.902 2.674 -0.804 1.00 0.11 C ATOM 402 O PHE A 27 7.362 3.389 -1.673 1.00 0.13 O ATOM 403 CB PHE A 27 6.614 0.933 -2.548 1.00 0.10 C ATOM 404 CG PHE A 27 6.184 -0.492 -2.817 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.858 -0.775 -3.204 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.119 -1.537 -2.700 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.471 -2.104 -3.470 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.732 -2.863 -2.969 1.00 0.21 C ATOM 409 CZ PHE A 27 5.408 -3.147 -3.354 1.00 0.23 C ATOM 0 H PHE A 27 4.321 1.901 -2.089 1.00 0.08 H new ATOM 0 HA PHE A 27 6.385 0.597 -0.433 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.188 1.594 -3.302 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.698 1.012 -2.630 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.139 0.026 -3.297 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.135 -1.321 -2.403 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.455 -2.322 -3.763 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.451 -3.664 -2.880 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.112 -4.165 -3.560 1.00 0.23 H new ATOM 419 N SER A 28 6.996 2.988 0.464 1.00 0.11 N ATOM 420 CA SER A 28 7.683 4.248 0.895 1.00 0.12 C ATOM 421 C SER A 28 8.952 3.908 1.671 1.00 0.10 C ATOM 422 O SER A 28 9.024 2.910 2.360 1.00 0.11 O ATOM 423 CB SER A 28 6.745 5.047 1.797 1.00 0.17 C ATOM 424 OG SER A 28 5.612 5.464 1.046 1.00 1.03 O ATOM 0 H SER A 28 6.624 2.422 1.226 1.00 0.11 H new ATOM 0 HA SER A 28 7.945 4.834 0.014 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.430 4.438 2.644 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.265 5.914 2.204 1.00 0.17 H new ATOM 0 HG SER A 28 4.813 5.429 1.613 1.00 1.03 H new ATOM 430 N ALA A 29 9.949 4.745 1.580 1.00 0.10 N ATOM 431 CA ALA A 29 11.213 4.493 2.327 1.00 0.15 C ATOM 432 C ALA A 29 11.107 5.177 3.696 1.00 0.18 C ATOM 433 O ALA A 29 10.876 6.366 3.791 1.00 0.26 O ATOM 434 CB ALA A 29 12.391 5.068 1.526 1.00 0.19 C ATOM 0 H ALA A 29 9.942 5.596 1.018 1.00 0.10 H new ATOM 0 HA ALA A 29 11.376 3.424 2.468 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.321 4.888 2.066 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.438 4.584 0.550 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.251 6.141 1.392 1.00 0.19 H new ATOM 440 N THR A 30 11.255 4.430 4.753 1.00 0.18 N ATOM 441 CA THR A 30 11.142 5.023 6.116 1.00 0.23 C ATOM 442 C THR A 30 12.272 6.031 6.356 1.00 0.26 C ATOM 443 O THR A 30 12.168 6.899 7.199 1.00 0.31 O ATOM 444 CB THR A 30 11.228 3.905 7.158 1.00 0.26 C ATOM 445 OG1 THR A 30 10.964 4.439 8.448 1.00 0.32 O ATOM 446 CG2 THR A 30 12.629 3.289 7.134 1.00 0.28 C ATOM 0 H THR A 30 11.450 3.429 4.733 1.00 0.18 H new ATOM 0 HA THR A 30 10.186 5.541 6.201 1.00 0.23 H new ATOM 0 HB THR A 30 10.492 3.135 6.927 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.017 3.723 9.115 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.689 2.493 7.876 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.829 2.878 6.144 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.368 4.057 7.364 1.00 0.28 H new ATOM 454 N TRP A 31 13.352 5.919 5.633 1.00 0.26 N ATOM 455 CA TRP A 31 14.492 6.865 5.832 1.00 0.32 C ATOM 456 C TRP A 31 14.332 8.080 4.915 1.00 0.32 C ATOM 457 O TRP A 31 15.008 9.079 5.068 1.00 0.36 O ATOM 458 CB TRP A 31 15.802 6.149 5.491 1.00 0.34 C ATOM 459 CG TRP A 31 15.872 5.896 4.019 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.445 4.772 3.401 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.384 6.772 2.975 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.675 4.894 2.041 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.249 6.110 1.726 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.953 8.066 2.992 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.664 6.712 0.530 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.371 8.677 1.791 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.226 8.001 0.562 1.00 0.40 C ATOM 0 H TRP A 31 13.497 5.213 4.911 1.00 0.26 H new ATOM 0 HA TRP A 31 14.505 7.198 6.870 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.651 6.755 5.806 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.864 5.206 6.035 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.998 3.918 3.888 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.448 4.174 1.355 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.068 8.590 3.929 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.553 6.190 -0.409 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.804 9.666 1.813 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.547 8.473 -0.355 1.00 0.40 H new ATOM 478 N CYS A 32 13.462 7.995 3.946 1.00 0.28 N ATOM 479 CA CYS A 32 13.280 9.133 2.997 1.00 0.30 C ATOM 480 C CYS A 32 12.132 10.032 3.469 1.00 0.31 C ATOM 481 O CYS A 32 11.041 9.580 3.754 1.00 0.29 O ATOM 482 CB CYS A 32 12.983 8.565 1.606 1.00 0.28 C ATOM 483 SG CYS A 32 13.561 9.726 0.342 1.00 0.32 S ATOM 0 H CYS A 32 12.868 7.185 3.769 1.00 0.28 H new ATOM 0 HA CYS A 32 14.187 9.737 2.958 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.477 7.601 1.482 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.913 8.392 1.493 1.00 0.28 H new ATOM 488 N GLY A 33 12.392 11.307 3.559 1.00 0.34 N ATOM 489 CA GLY A 33 11.352 12.269 4.019 1.00 0.36 C ATOM 490 C GLY A 33 10.188 12.365 3.019 1.00 0.35 C ATOM 491 O GLY A 33 9.062 12.121 3.386 1.00 0.33 O ATOM 0 H GLY A 33 13.292 11.728 3.330 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.972 11.957 4.992 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.800 13.254 4.153 1.00 0.36 H new ATOM 495 N PRO A 34 10.477 12.748 1.791 1.00 0.37 N ATOM 496 CA PRO A 34 9.430 12.913 0.759 1.00 0.38 C ATOM 497 C PRO A 34 8.456 11.728 0.736 1.00 0.35 C ATOM 498 O PRO A 34 7.270 11.903 0.540 1.00 0.36 O ATOM 499 CB PRO A 34 10.217 13.040 -0.565 1.00 0.42 C ATOM 500 CG PRO A 34 11.678 13.400 -0.175 1.00 0.44 C ATOM 501 CD PRO A 34 11.849 13.040 1.320 1.00 0.40 C ATOM 0 HA PRO A 34 8.799 13.782 0.948 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.184 12.107 -1.127 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.784 13.811 -1.202 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.389 12.846 -0.789 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.871 14.460 -0.341 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.504 12.178 1.448 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.293 13.864 1.878 1.00 0.40 H new ATOM 509 N ALA A 35 8.927 10.532 0.936 1.00 0.33 N ATOM 510 CA ALA A 35 7.997 9.370 0.921 1.00 0.32 C ATOM 511 C ALA A 35 7.220 9.345 2.238 1.00 0.39 C ATOM 512 O ALA A 35 6.006 9.353 2.262 1.00 0.81 O ATOM 513 CB ALA A 35 8.795 8.074 0.768 1.00 0.36 C ATOM 0 H ALA A 35 9.907 10.308 1.108 1.00 0.33 H new ATOM 0 HA ALA A 35 7.304 9.460 0.084 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.112 7.225 0.757 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.356 8.100 -0.166 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.487 7.972 1.604 1.00 0.36 H new ATOM 519 N LYS A 36 7.924 9.323 3.331 1.00 0.30 N ATOM 520 CA LYS A 36 7.259 9.305 4.663 1.00 0.28 C ATOM 521 C LYS A 36 6.399 10.562 4.838 1.00 0.24 C ATOM 522 O LYS A 36 5.488 10.597 5.642 1.00 0.25 O ATOM 523 CB LYS A 36 8.348 9.272 5.741 1.00 0.35 C ATOM 524 CG LYS A 36 7.722 9.023 7.112 1.00 0.38 C ATOM 525 CD LYS A 36 8.777 9.224 8.201 1.00 0.49 C ATOM 526 CE LYS A 36 8.179 8.870 9.562 1.00 1.22 C ATOM 527 NZ LYS A 36 8.032 7.391 9.670 1.00 1.92 N ATOM 0 H LYS A 36 8.944 9.317 3.360 1.00 0.30 H new ATOM 0 HA LYS A 36 6.615 8.430 4.746 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.071 8.488 5.515 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.893 10.216 5.747 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.886 9.705 7.271 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.321 8.010 7.162 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.646 8.598 8.000 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.122 10.258 8.201 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.821 9.242 10.361 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.209 9.352 9.682 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.771 7.138 10.644 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.290 7.067 9.017 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.933 6.934 9.424 1.00 1.92 H new ATOM 541 N MET A 37 6.686 11.595 4.100 1.00 0.23 N ATOM 542 CA MET A 37 5.897 12.851 4.234 1.00 0.24 C ATOM 543 C MET A 37 4.429 12.598 3.884 1.00 0.20 C ATOM 544 O MET A 37 3.563 13.383 4.215 1.00 0.20 O ATOM 545 CB MET A 37 6.466 13.919 3.292 1.00 0.29 C ATOM 546 CG MET A 37 5.979 15.310 3.719 1.00 1.31 C ATOM 547 SD MET A 37 7.024 15.925 5.066 1.00 2.12 S ATOM 548 CE MET A 37 8.120 16.962 4.067 1.00 3.13 C ATOM 0 H MET A 37 7.435 11.625 3.408 1.00 0.23 H new ATOM 0 HA MET A 37 5.962 13.196 5.266 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.555 13.886 3.307 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.155 13.715 2.267 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.016 15.996 2.873 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.940 15.260 4.044 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.854 17.443 4.713 1.00 3.13 H new ATOM 0 HE2 MET A 37 8.634 16.344 3.331 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.533 17.724 3.555 1.00 3.13 H new ATOM 558 N ILE A 38 4.140 11.524 3.194 1.00 0.18 N ATOM 559 CA ILE A 38 2.723 11.245 2.794 1.00 0.15 C ATOM 560 C ILE A 38 2.082 10.226 3.741 1.00 0.16 C ATOM 561 O ILE A 38 1.053 9.658 3.439 1.00 0.16 O ATOM 562 CB ILE A 38 2.715 10.694 1.362 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.786 11.426 0.543 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.336 10.926 0.720 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.676 11.036 -0.936 1.00 0.28 C ATOM 0 H ILE A 38 4.821 10.828 2.890 1.00 0.18 H new ATOM 0 HA ILE A 38 2.148 12.169 2.847 1.00 0.15 H new ATOM 0 HB ILE A 38 2.924 9.624 1.381 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.666 12.504 0.653 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.778 11.176 0.920 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.337 10.533 -0.297 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.571 10.416 1.306 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.121 11.994 0.695 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.441 11.561 -1.509 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.819 9.960 -1.040 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.690 11.309 -1.312 1.00 0.28 H new ATOM 577 N LYS A 39 2.661 9.973 4.888 1.00 0.19 N ATOM 578 CA LYS A 39 2.017 8.981 5.795 1.00 0.22 C ATOM 579 C LYS A 39 0.711 9.512 6.415 1.00 0.20 C ATOM 580 O LYS A 39 -0.170 8.729 6.680 1.00 0.21 O ATOM 581 CB LYS A 39 2.972 8.462 6.905 1.00 0.31 C ATOM 582 CG LYS A 39 3.121 9.442 8.095 1.00 0.34 C ATOM 583 CD LYS A 39 3.543 8.671 9.352 1.00 0.45 C ATOM 584 CE LYS A 39 4.777 7.816 9.060 1.00 1.16 C ATOM 585 NZ LYS A 39 4.358 6.486 8.530 1.00 1.62 N ATOM 0 H LYS A 39 3.525 10.396 5.227 1.00 0.19 H new ATOM 0 HA LYS A 39 1.768 8.133 5.157 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.601 7.506 7.275 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.955 8.277 6.471 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.863 10.205 7.859 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.178 9.958 8.273 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.759 9.370 10.160 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.724 8.036 9.690 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.417 8.321 8.336 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.364 7.687 9.969 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.916 5.738 8.989 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.348 6.336 8.729 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.517 6.456 7.503 1.00 1.62 H new ATOM 599 N PRO A 40 0.599 10.797 6.693 1.00 0.20 N ATOM 600 CA PRO A 40 -0.617 11.289 7.350 1.00 0.21 C ATOM 601 C PRO A 40 -1.837 11.065 6.448 1.00 0.17 C ATOM 602 O PRO A 40 -2.956 11.341 6.828 1.00 0.20 O ATOM 603 CB PRO A 40 -0.356 12.783 7.628 1.00 0.24 C ATOM 604 CG PRO A 40 1.101 13.086 7.175 1.00 0.25 C ATOM 605 CD PRO A 40 1.597 11.854 6.388 1.00 0.21 C ATOM 0 HA PRO A 40 -0.837 10.760 8.278 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.066 13.406 7.083 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.484 13.006 8.687 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.133 13.980 6.552 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.741 13.276 8.037 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.646 12.058 5.318 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.598 11.558 6.702 1.00 0.21 H new ATOM 613 N PHE A 41 -1.624 10.565 5.257 1.00 0.14 N ATOM 614 CA PHE A 41 -2.764 10.308 4.318 1.00 0.14 C ATOM 615 C PHE A 41 -2.951 8.798 4.160 1.00 0.11 C ATOM 616 O PHE A 41 -3.819 8.206 4.765 1.00 0.13 O ATOM 617 CB PHE A 41 -2.448 10.926 2.949 1.00 0.15 C ATOM 618 CG PHE A 41 -2.698 12.414 3.004 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.700 13.276 3.495 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.932 12.934 2.571 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.936 14.663 3.553 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.169 14.322 2.628 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.170 15.187 3.119 1.00 0.27 C ATOM 0 H PHE A 41 -0.704 10.321 4.890 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.675 10.754 4.716 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.410 10.730 2.679 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.069 10.469 2.179 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.754 12.874 3.827 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.697 12.270 2.195 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.171 15.325 3.930 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.115 14.723 2.296 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.350 16.251 3.163 1.00 0.27 H new ATOM 633 N PHE A 42 -2.144 8.180 3.347 1.00 0.10 N ATOM 634 CA PHE A 42 -2.261 6.710 3.121 1.00 0.11 C ATOM 635 C PHE A 42 -2.544 5.970 4.439 1.00 0.11 C ATOM 636 O PHE A 42 -3.501 5.229 4.545 1.00 0.12 O ATOM 637 CB PHE A 42 -0.952 6.206 2.516 1.00 0.13 C ATOM 638 CG PHE A 42 -0.999 4.706 2.383 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.687 4.128 1.306 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.350 3.888 3.329 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.730 2.732 1.168 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.395 2.487 3.194 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.086 1.908 2.111 1.00 0.10 C ATOM 0 H PHE A 42 -1.398 8.635 2.821 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.092 6.517 2.443 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.792 6.663 1.539 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.112 6.499 3.146 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.184 4.757 0.583 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.181 4.335 4.156 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.258 2.289 0.337 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.099 1.857 3.919 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.122 0.834 2.004 1.00 0.10 H new ATOM 653 N HIS A 43 -1.729 6.157 5.440 1.00 0.14 N ATOM 654 CA HIS A 43 -1.971 5.451 6.736 1.00 0.16 C ATOM 655 C HIS A 43 -3.263 5.974 7.389 1.00 0.16 C ATOM 656 O HIS A 43 -3.998 5.224 7.997 1.00 0.18 O ATOM 657 CB HIS A 43 -0.747 5.651 7.663 1.00 0.21 C ATOM 658 CG HIS A 43 -1.140 5.583 9.119 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.992 4.435 9.879 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.692 6.524 9.957 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.447 4.709 11.117 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.886 5.968 11.218 1.00 0.39 N ATOM 0 H HIS A 43 -0.909 6.764 5.420 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.099 4.383 6.559 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.001 4.887 7.451 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.285 6.616 7.454 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.937 7.538 9.679 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.456 3.998 11.930 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.279 6.423 12.042 1.00 0.39 H new ATOM 670 N SER A 44 -3.547 7.242 7.279 1.00 0.20 N ATOM 671 CA SER A 44 -4.791 7.770 7.912 1.00 0.25 C ATOM 672 C SER A 44 -6.021 7.087 7.303 1.00 0.20 C ATOM 673 O SER A 44 -6.973 6.786 7.995 1.00 0.21 O ATOM 674 CB SER A 44 -4.886 9.281 7.703 1.00 0.34 C ATOM 675 OG SER A 44 -4.928 9.568 6.312 1.00 0.97 O ATOM 0 H SER A 44 -2.980 7.930 6.784 1.00 0.20 H new ATOM 0 HA SER A 44 -4.757 7.559 8.981 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.779 9.671 8.192 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.030 9.776 8.161 1.00 0.34 H new ATOM 0 HG SER A 44 -4.506 8.837 5.814 1.00 0.97 H new ATOM 681 N LEU A 45 -6.016 6.836 6.020 1.00 0.18 N ATOM 682 CA LEU A 45 -7.200 6.171 5.400 1.00 0.18 C ATOM 683 C LEU A 45 -7.535 4.903 6.187 1.00 0.16 C ATOM 684 O LEU A 45 -8.597 4.333 6.040 1.00 0.23 O ATOM 685 CB LEU A 45 -6.896 5.790 3.944 1.00 0.19 C ATOM 686 CG LEU A 45 -6.521 7.034 3.122 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.283 6.619 1.668 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.655 8.073 3.182 1.00 0.50 C ATOM 0 H LEU A 45 -5.253 7.060 5.381 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.043 6.861 5.420 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.079 5.069 3.915 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.765 5.304 3.501 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.616 7.479 3.535 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.016 7.496 1.078 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.471 5.893 1.625 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.191 6.172 1.264 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.377 8.949 2.596 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.568 7.639 2.775 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.824 8.368 4.218 1.00 0.50 H new ATOM 700 N SER A 46 -6.639 4.456 7.022 1.00 0.20 N ATOM 701 CA SER A 46 -6.913 3.226 7.817 1.00 0.25 C ATOM 702 C SER A 46 -8.185 3.422 8.646 1.00 0.17 C ATOM 703 O SER A 46 -8.956 2.504 8.841 1.00 0.15 O ATOM 704 CB SER A 46 -5.736 2.950 8.753 1.00 0.36 C ATOM 705 OG SER A 46 -4.542 2.844 7.988 1.00 0.51 O ATOM 0 H SER A 46 -5.730 4.888 7.188 1.00 0.20 H new ATOM 0 HA SER A 46 -7.047 2.382 7.140 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.643 3.752 9.485 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.908 2.029 9.310 1.00 0.36 H new ATOM 0 HG SER A 46 -3.968 3.617 8.169 1.00 0.51 H new ATOM 711 N GLU A 47 -8.406 4.611 9.146 1.00 0.21 N ATOM 712 CA GLU A 47 -9.624 4.866 9.974 1.00 0.21 C ATOM 713 C GLU A 47 -10.750 5.421 9.099 1.00 0.18 C ATOM 714 O GLU A 47 -11.902 5.424 9.487 1.00 0.18 O ATOM 715 CB GLU A 47 -9.287 5.883 11.068 1.00 0.32 C ATOM 716 CG GLU A 47 -7.945 5.520 11.705 1.00 0.39 C ATOM 717 CD GLU A 47 -7.726 6.375 12.955 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.960 7.569 12.881 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.329 5.818 13.966 1.00 1.98 O ATOM 0 H GLU A 47 -7.795 5.417 9.017 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.951 3.929 10.424 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.241 6.887 10.645 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.071 5.892 11.825 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.929 4.462 11.968 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.136 5.684 10.993 1.00 0.39 H new ATOM 726 N LYS A 48 -10.435 5.893 7.922 1.00 0.18 N ATOM 727 CA LYS A 48 -11.497 6.451 7.031 1.00 0.17 C ATOM 728 C LYS A 48 -12.036 5.339 6.127 1.00 0.15 C ATOM 729 O LYS A 48 -13.141 5.413 5.626 1.00 0.18 O ATOM 730 CB LYS A 48 -10.898 7.572 6.173 1.00 0.21 C ATOM 731 CG LYS A 48 -12.017 8.470 5.617 1.00 0.26 C ATOM 732 CD LYS A 48 -12.543 9.426 6.704 1.00 1.09 C ATOM 733 CE LYS A 48 -13.209 10.640 6.052 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.159 11.570 5.552 1.00 2.16 N ATOM 0 H LYS A 48 -9.490 5.917 7.538 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.312 6.852 7.633 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.207 8.167 6.770 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.323 7.144 5.352 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -11.641 9.046 4.771 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.834 7.852 5.244 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -13.258 8.907 7.342 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.722 9.750 7.344 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.849 10.320 5.230 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.848 11.149 6.773 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.575 12.509 5.391 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.397 11.645 6.256 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.770 11.206 4.659 1.00 2.16 H new ATOM 748 N TYR A 49 -11.260 4.306 5.918 1.00 0.13 N ATOM 749 CA TYR A 49 -11.710 3.172 5.050 1.00 0.13 C ATOM 750 C TYR A 49 -11.365 1.848 5.735 1.00 0.11 C ATOM 751 O TYR A 49 -10.542 1.089 5.264 1.00 0.11 O ATOM 752 CB TYR A 49 -10.998 3.257 3.691 1.00 0.15 C ATOM 753 CG TYR A 49 -11.693 4.282 2.823 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.918 3.960 2.209 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.124 5.558 2.636 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.575 4.912 1.407 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.782 6.511 1.836 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.007 6.187 1.220 1.00 0.21 C ATOM 759 OH TYR A 49 -13.652 7.121 0.434 1.00 0.24 O ATOM 0 H TYR A 49 -10.326 4.197 6.314 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.787 3.229 4.894 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.953 3.532 3.832 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.008 2.283 3.201 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.354 2.982 2.353 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.184 5.804 3.106 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.514 4.665 0.935 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.348 7.490 1.694 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.348 8.020 0.678 1.00 0.24 H new ATOM 769 N SER A 50 -11.995 1.564 6.842 1.00 0.12 N ATOM 770 CA SER A 50 -11.710 0.288 7.554 1.00 0.13 C ATOM 771 C SER A 50 -12.186 -0.881 6.692 1.00 0.13 C ATOM 772 O SER A 50 -12.015 -2.033 7.038 1.00 0.14 O ATOM 773 CB SER A 50 -12.450 0.275 8.891 1.00 0.16 C ATOM 774 OG SER A 50 -13.828 0.537 8.668 1.00 0.17 O ATOM 0 H SER A 50 -12.694 2.161 7.283 1.00 0.12 H new ATOM 0 HA SER A 50 -10.639 0.197 7.736 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.326 -0.692 9.379 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.029 1.026 9.560 1.00 0.16 H new ATOM 0 HG SER A 50 -14.305 0.528 9.524 1.00 0.17 H new ATOM 780 N ASN A 51 -12.787 -0.589 5.569 1.00 0.13 N ATOM 781 CA ASN A 51 -13.284 -1.670 4.668 1.00 0.15 C ATOM 782 C ASN A 51 -12.218 -1.981 3.618 1.00 0.13 C ATOM 783 O ASN A 51 -12.382 -2.862 2.796 1.00 0.14 O ATOM 784 CB ASN A 51 -14.557 -1.192 3.969 1.00 0.17 C ATOM 785 CG ASN A 51 -15.062 -2.276 3.013 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.738 -3.198 3.424 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.764 -2.201 1.745 1.00 0.32 N ATOM 0 H ASN A 51 -12.956 0.360 5.235 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.497 -2.567 5.250 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.324 -0.960 4.708 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.357 -0.273 3.418 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.099 -2.916 1.099 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.196 -1.427 1.399 1.00 0.32 H new ATOM 794 N VAL A 52 -11.124 -1.260 3.644 1.00 0.11 N ATOM 795 CA VAL A 52 -10.023 -1.493 2.656 1.00 0.10 C ATOM 796 C VAL A 52 -8.772 -1.945 3.402 1.00 0.10 C ATOM 797 O VAL A 52 -8.539 -1.570 4.534 1.00 0.11 O ATOM 798 CB VAL A 52 -9.720 -0.191 1.917 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.492 -0.378 1.020 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.930 0.198 1.064 1.00 0.12 C ATOM 0 H VAL A 52 -10.945 -0.512 4.314 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.328 -2.258 1.941 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.515 0.599 2.640 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.280 0.553 0.495 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.633 -0.653 1.632 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.688 -1.167 0.294 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.718 1.127 0.535 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.135 -0.592 0.342 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.799 0.337 1.707 1.00 0.12 H new ATOM 810 N ILE A 53 -7.967 -2.758 2.776 1.00 0.09 N ATOM 811 CA ILE A 53 -6.725 -3.257 3.437 1.00 0.09 C ATOM 812 C ILE A 53 -5.526 -2.419 2.966 1.00 0.09 C ATOM 813 O ILE A 53 -5.275 -2.293 1.785 1.00 0.14 O ATOM 814 CB ILE A 53 -6.503 -4.722 3.040 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.839 -5.495 3.060 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.485 -5.373 3.987 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.638 -5.221 4.347 1.00 0.17 C ATOM 0 H ILE A 53 -8.116 -3.102 1.827 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.825 -3.176 4.519 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.107 -4.757 2.025 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.436 -5.211 2.194 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.642 -6.564 2.975 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.333 -6.413 3.698 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.538 -4.837 3.927 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.861 -5.331 5.009 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.571 -5.783 4.322 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.051 -5.530 5.212 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.858 -4.156 4.419 1.00 0.17 H new ATOM 829 N PHE A 54 -4.784 -1.850 3.886 1.00 0.08 N ATOM 830 CA PHE A 54 -3.591 -1.020 3.512 1.00 0.08 C ATOM 831 C PHE A 54 -2.314 -1.745 3.941 1.00 0.08 C ATOM 832 O PHE A 54 -2.180 -2.167 5.072 1.00 0.11 O ATOM 833 CB PHE A 54 -3.667 0.328 4.235 1.00 0.08 C ATOM 834 CG PHE A 54 -4.881 1.089 3.758 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.913 1.602 2.448 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.979 1.286 4.618 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.042 2.313 1.996 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.108 1.997 4.168 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.139 2.511 2.856 1.00 0.09 C ATOM 0 H PHE A 54 -4.954 -1.925 4.889 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.580 -0.862 2.434 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.723 0.172 5.312 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.764 0.907 4.043 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.071 1.450 1.789 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.955 0.891 5.623 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.066 2.706 0.990 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.950 2.148 4.828 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.004 3.057 2.510 1.00 0.09 H new ATOM 849 N LEU A 55 -1.373 -1.891 3.041 1.00 0.08 N ATOM 850 CA LEU A 55 -0.089 -2.589 3.370 1.00 0.09 C ATOM 851 C LEU A 55 1.052 -1.567 3.365 1.00 0.09 C ATOM 852 O LEU A 55 0.875 -0.422 2.998 1.00 0.10 O ATOM 853 CB LEU A 55 0.201 -3.661 2.306 1.00 0.10 C ATOM 854 CG LEU A 55 -0.587 -4.946 2.592 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.080 -4.635 2.772 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.402 -5.913 1.416 1.00 0.12 C ATOM 0 H LEU A 55 -1.440 -1.553 2.081 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.171 -3.057 4.351 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.063 -3.280 1.319 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.268 -3.881 2.288 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.215 -5.397 3.512 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.622 -5.559 2.974 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.210 -3.948 3.608 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.469 -4.178 1.862 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.958 -6.831 1.608 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.772 -5.449 0.502 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.656 -6.148 1.301 1.00 0.12 H new ATOM 868 N GLU A 56 2.227 -1.982 3.756 1.00 0.09 N ATOM 869 CA GLU A 56 3.399 -1.055 3.766 1.00 0.09 C ATOM 870 C GLU A 56 4.649 -1.856 3.391 1.00 0.09 C ATOM 871 O GLU A 56 4.741 -3.035 3.677 1.00 0.10 O ATOM 872 CB GLU A 56 3.559 -0.450 5.168 1.00 0.09 C ATOM 873 CG GLU A 56 4.592 0.685 5.133 1.00 0.11 C ATOM 874 CD GLU A 56 4.435 1.567 6.376 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.500 2.351 6.407 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.253 1.447 7.272 1.00 1.24 O ATOM 0 H GLU A 56 2.428 -2.931 4.072 1.00 0.09 H new ATOM 0 HA GLU A 56 3.252 -0.245 3.051 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.600 -0.070 5.521 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.875 -1.220 5.872 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.600 0.271 5.094 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.458 1.283 4.232 1.00 0.11 H new ATOM 883 N VAL A 57 5.604 -1.243 2.733 1.00 0.08 N ATOM 884 CA VAL A 57 6.834 -1.993 2.321 1.00 0.08 C ATOM 885 C VAL A 57 8.079 -1.105 2.469 1.00 0.09 C ATOM 886 O VAL A 57 8.057 0.079 2.188 1.00 0.14 O ATOM 887 CB VAL A 57 6.675 -2.433 0.848 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.044 -2.765 0.226 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.771 -3.671 0.785 1.00 0.09 C ATOM 0 H VAL A 57 5.586 -0.259 2.464 1.00 0.08 H new ATOM 0 HA VAL A 57 6.959 -2.866 2.961 1.00 0.08 H new ATOM 0 HB VAL A 57 6.228 -1.614 0.284 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.908 -3.072 -0.811 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.684 -1.883 0.262 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.511 -3.575 0.786 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.656 -3.985 -0.252 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.221 -4.480 1.361 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.793 -3.429 1.201 1.00 0.09 H new ATOM 899 N ASP A 58 9.170 -1.703 2.887 1.00 0.09 N ATOM 900 CA ASP A 58 10.454 -0.955 3.041 1.00 0.09 C ATOM 901 C ASP A 58 11.310 -1.222 1.795 1.00 0.10 C ATOM 902 O ASP A 58 12.050 -2.182 1.729 1.00 0.11 O ATOM 903 CB ASP A 58 11.181 -1.459 4.296 1.00 0.11 C ATOM 904 CG ASP A 58 12.263 -0.460 4.712 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.333 -0.501 4.133 1.00 1.08 O ATOM 906 OD2 ASP A 58 12.006 0.322 5.614 1.00 1.06 O ATOM 0 H ASP A 58 9.223 -2.692 3.131 1.00 0.09 H new ATOM 0 HA ASP A 58 10.271 0.114 3.145 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.468 -1.595 5.109 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.630 -2.433 4.100 1.00 0.11 H new ATOM 911 N VAL A 59 11.181 -0.393 0.797 1.00 0.12 N ATOM 912 CA VAL A 59 11.945 -0.595 -0.472 1.00 0.15 C ATOM 913 C VAL A 59 13.446 -0.756 -0.208 1.00 0.18 C ATOM 914 O VAL A 59 14.212 -0.965 -1.129 1.00 0.27 O ATOM 915 CB VAL A 59 11.732 0.619 -1.377 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.311 0.593 -1.940 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.934 1.899 -0.564 1.00 0.22 C ATOM 0 H VAL A 59 10.573 0.426 0.804 1.00 0.12 H new ATOM 0 HA VAL A 59 11.581 -1.506 -0.947 1.00 0.15 H new ATOM 0 HB VAL A 59 12.448 0.591 -2.198 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.159 1.458 -2.585 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.165 -0.320 -2.517 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.594 0.622 -1.120 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.783 2.766 -1.207 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.217 1.926 0.256 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.947 1.918 -0.161 1.00 0.22 H new ATOM 927 N ASP A 60 13.883 -0.643 1.021 1.00 0.16 N ATOM 928 CA ASP A 60 15.350 -0.769 1.317 1.00 0.18 C ATOM 929 C ASP A 60 15.647 -2.066 2.076 1.00 0.17 C ATOM 930 O ASP A 60 16.637 -2.726 1.826 1.00 0.18 O ATOM 931 CB ASP A 60 15.782 0.417 2.174 1.00 0.21 C ATOM 932 CG ASP A 60 15.684 1.704 1.354 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.515 1.892 0.481 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.779 2.481 1.613 1.00 1.08 O ATOM 0 H ASP A 60 13.291 -0.469 1.834 1.00 0.16 H new ATOM 0 HA ASP A 60 15.898 -0.785 0.375 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.150 0.489 3.059 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.804 0.273 2.523 1.00 0.21 H new ATOM 939 N ASP A 61 14.814 -2.430 3.013 1.00 0.17 N ATOM 940 CA ASP A 61 15.061 -3.676 3.805 1.00 0.17 C ATOM 941 C ASP A 61 14.258 -4.842 3.206 1.00 0.16 C ATOM 942 O ASP A 61 14.566 -5.994 3.440 1.00 0.18 O ATOM 943 CB ASP A 61 14.647 -3.410 5.264 1.00 0.19 C ATOM 944 CG ASP A 61 14.392 -4.727 6.009 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.278 -5.566 6.008 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.318 -4.870 6.569 1.00 1.12 O ATOM 0 H ASP A 61 13.969 -1.918 3.267 1.00 0.17 H new ATOM 0 HA ASP A 61 16.116 -3.948 3.773 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.430 -2.846 5.771 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.747 -2.796 5.285 1.00 0.19 H new ATOM 951 N ALA A 62 13.247 -4.552 2.425 1.00 0.16 N ATOM 952 CA ALA A 62 12.428 -5.636 1.789 1.00 0.16 C ATOM 953 C ALA A 62 12.653 -5.599 0.279 1.00 0.16 C ATOM 954 O ALA A 62 11.726 -5.664 -0.503 1.00 0.15 O ATOM 955 CB ALA A 62 10.945 -5.404 2.086 1.00 0.17 C ATOM 0 H ALA A 62 12.950 -3.603 2.198 1.00 0.16 H new ATOM 0 HA ALA A 62 12.726 -6.605 2.189 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.353 -6.193 1.622 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.784 -5.415 3.164 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.640 -4.438 1.683 1.00 0.17 H new ATOM 961 N GLN A 63 13.884 -5.484 -0.134 1.00 0.20 N ATOM 962 CA GLN A 63 14.188 -5.430 -1.592 1.00 0.22 C ATOM 963 C GLN A 63 13.554 -6.630 -2.300 1.00 0.20 C ATOM 964 O GLN A 63 13.464 -6.668 -3.512 1.00 0.20 O ATOM 965 CB GLN A 63 15.704 -5.466 -1.800 1.00 0.29 C ATOM 966 CG GLN A 63 16.363 -4.328 -1.016 1.00 0.90 C ATOM 967 CD GLN A 63 17.870 -4.577 -0.926 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.630 -4.068 -1.725 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.337 -5.344 0.023 1.00 2.22 N ATOM 0 H GLN A 63 14.697 -5.425 0.479 1.00 0.20 H new ATOM 0 HA GLN A 63 13.781 -4.508 -2.007 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.103 -6.425 -1.470 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.937 -5.372 -2.861 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.170 -3.374 -1.507 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.934 -4.265 -0.016 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.699 -5.771 0.694 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.340 -5.515 0.093 1.00 2.22 H new ATOM 978 N ASP A 64 13.115 -7.610 -1.559 1.00 0.19 N ATOM 979 CA ASP A 64 12.493 -8.802 -2.198 1.00 0.20 C ATOM 980 C ASP A 64 11.127 -8.420 -2.767 1.00 0.17 C ATOM 981 O ASP A 64 10.762 -8.820 -3.854 1.00 0.19 O ATOM 982 CB ASP A 64 12.322 -9.902 -1.151 1.00 0.22 C ATOM 983 CG ASP A 64 11.708 -9.308 0.119 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.395 -8.555 0.789 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.561 -9.617 0.398 1.00 1.11 O ATOM 0 H ASP A 64 13.160 -7.636 -0.540 1.00 0.19 H new ATOM 0 HA ASP A 64 13.132 -9.162 -3.005 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.682 -10.694 -1.541 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.287 -10.355 -0.923 1.00 0.22 H new ATOM 990 N VAL A 65 10.370 -7.642 -2.045 1.00 0.15 N ATOM 991 CA VAL A 65 9.033 -7.231 -2.552 1.00 0.16 C ATOM 992 C VAL A 65 9.223 -6.189 -3.654 1.00 0.16 C ATOM 993 O VAL A 65 8.617 -6.263 -4.705 1.00 0.19 O ATOM 994 CB VAL A 65 8.215 -6.637 -1.404 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.743 -6.549 -1.816 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.346 -7.538 -0.171 1.00 0.18 C ATOM 0 H VAL A 65 10.620 -7.274 -1.127 1.00 0.15 H new ATOM 0 HA VAL A 65 8.502 -8.094 -2.954 1.00 0.16 H new ATOM 0 HB VAL A 65 8.586 -5.639 -1.170 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.161 -6.126 -0.998 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.649 -5.912 -2.696 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.370 -7.546 -2.049 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.764 -7.118 0.650 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.973 -8.535 -0.407 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.394 -7.603 0.123 1.00 0.18 H new ATOM 1006 N ALA A 66 10.077 -5.225 -3.431 1.00 0.16 N ATOM 1007 CA ALA A 66 10.321 -4.191 -4.476 1.00 0.18 C ATOM 1008 C ALA A 66 10.916 -4.871 -5.708 1.00 0.19 C ATOM 1009 O ALA A 66 10.657 -4.486 -6.831 1.00 0.20 O ATOM 1010 CB ALA A 66 11.305 -3.146 -3.945 1.00 0.22 C ATOM 0 H ALA A 66 10.615 -5.110 -2.572 1.00 0.16 H new ATOM 0 HA ALA A 66 9.384 -3.699 -4.737 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.482 -2.391 -4.711 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.888 -2.671 -3.057 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.247 -3.631 -3.689 1.00 0.22 H new ATOM 1016 N SER A 67 11.709 -5.889 -5.503 1.00 0.21 N ATOM 1017 CA SER A 67 12.320 -6.604 -6.657 1.00 0.26 C ATOM 1018 C SER A 67 11.213 -7.265 -7.478 1.00 0.26 C ATOM 1019 O SER A 67 11.183 -7.174 -8.689 1.00 0.29 O ATOM 1020 CB SER A 67 13.282 -7.676 -6.143 1.00 0.31 C ATOM 1021 OG SER A 67 14.461 -7.051 -5.652 1.00 1.29 O ATOM 0 H SER A 67 11.959 -6.255 -4.584 1.00 0.21 H new ATOM 0 HA SER A 67 12.868 -5.896 -7.279 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.808 -8.257 -5.352 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.532 -8.372 -6.944 1.00 0.31 H new ATOM 0 HG SER A 67 14.265 -6.604 -4.802 1.00 1.29 H new ATOM 1027 N GLU A 68 10.298 -7.927 -6.823 1.00 0.26 N ATOM 1028 CA GLU A 68 9.187 -8.594 -7.557 1.00 0.30 C ATOM 1029 C GLU A 68 8.340 -7.535 -8.266 1.00 0.31 C ATOM 1030 O GLU A 68 7.877 -7.738 -9.372 1.00 0.36 O ATOM 1031 CB GLU A 68 8.317 -9.368 -6.562 1.00 0.31 C ATOM 1032 CG GLU A 68 7.261 -10.183 -7.316 1.00 0.39 C ATOM 1033 CD GLU A 68 7.944 -11.285 -8.127 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.025 -11.696 -7.739 1.00 2.20 O ATOM 1035 OE2 GLU A 68 7.374 -11.701 -9.123 1.00 2.19 O ATOM 0 H GLU A 68 10.273 -8.034 -5.809 1.00 0.26 H new ATOM 0 HA GLU A 68 9.595 -9.284 -8.295 1.00 0.30 H new ATOM 0 HB2 GLU A 68 8.939 -10.031 -5.960 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.832 -8.675 -5.874 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.554 -10.621 -6.611 1.00 0.39 H new ATOM 0 HG3 GLU A 68 6.689 -9.532 -7.978 1.00 0.39 H new ATOM 1042 N ALA A 69 8.126 -6.410 -7.638 1.00 0.29 N ATOM 1043 CA ALA A 69 7.300 -5.341 -8.275 1.00 0.31 C ATOM 1044 C ALA A 69 8.191 -4.433 -9.127 1.00 0.29 C ATOM 1045 O ALA A 69 7.714 -3.547 -9.811 1.00 0.33 O ATOM 1046 CB ALA A 69 6.622 -4.509 -7.187 1.00 0.31 C ATOM 0 H ALA A 69 8.487 -6.184 -6.711 1.00 0.29 H new ATOM 0 HA ALA A 69 6.544 -5.802 -8.911 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.018 -3.728 -7.649 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.982 -5.152 -6.583 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.381 -4.053 -6.552 1.00 0.31 H new ATOM 1052 N GLU A 70 9.477 -4.642 -9.095 1.00 0.27 N ATOM 1053 CA GLU A 70 10.392 -3.791 -9.908 1.00 0.29 C ATOM 1054 C GLU A 70 10.069 -2.311 -9.672 1.00 0.25 C ATOM 1055 O GLU A 70 9.747 -1.583 -10.589 1.00 0.26 O ATOM 1056 CB GLU A 70 10.210 -4.120 -11.392 1.00 0.38 C ATOM 1057 CG GLU A 70 10.490 -5.606 -11.624 1.00 1.18 C ATOM 1058 CD GLU A 70 10.281 -5.941 -13.101 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.718 -5.163 -13.933 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.686 -6.970 -13.376 1.00 2.34 O ATOM 0 H GLU A 70 9.935 -5.366 -8.541 1.00 0.27 H new ATOM 0 HA GLU A 70 11.423 -3.987 -9.613 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.195 -3.877 -11.707 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.885 -3.513 -11.995 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.511 -5.845 -11.327 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.828 -6.212 -11.006 1.00 1.18 H new ATOM 1067 N VAL A 71 10.159 -1.860 -8.450 1.00 0.22 N ATOM 1068 CA VAL A 71 9.863 -0.428 -8.157 1.00 0.19 C ATOM 1069 C VAL A 71 11.070 0.432 -8.541 1.00 0.23 C ATOM 1070 O VAL A 71 12.202 0.075 -8.282 1.00 0.28 O ATOM 1071 CB VAL A 71 9.570 -0.260 -6.667 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.053 1.156 -6.422 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.500 -1.269 -6.243 1.00 0.19 C ATOM 0 H VAL A 71 10.425 -2.422 -7.641 1.00 0.22 H new ATOM 0 HA VAL A 71 8.994 -0.113 -8.734 1.00 0.19 H new ATOM 0 HB VAL A 71 10.479 -0.430 -6.089 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.840 1.287 -5.361 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.808 1.878 -6.733 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.141 1.315 -6.997 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.289 -1.151 -5.180 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.589 -1.095 -6.815 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.859 -2.281 -6.432 1.00 0.19 H new ATOM 1083 N LYS A 72 10.834 1.564 -9.164 1.00 0.24 N ATOM 1084 CA LYS A 72 11.962 2.460 -9.578 1.00 0.29 C ATOM 1085 C LYS A 72 11.681 3.894 -9.118 1.00 0.26 C ATOM 1086 O LYS A 72 12.483 4.785 -9.313 1.00 0.27 O ATOM 1087 CB LYS A 72 12.096 2.432 -11.103 1.00 0.35 C ATOM 1088 CG LYS A 72 12.462 1.016 -11.555 1.00 0.43 C ATOM 1089 CD LYS A 72 12.887 1.042 -13.024 1.00 1.16 C ATOM 1090 CE LYS A 72 13.373 -0.348 -13.441 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.786 -0.321 -14.873 1.00 2.40 N ATOM 0 H LYS A 72 9.904 1.907 -9.404 1.00 0.24 H new ATOM 0 HA LYS A 72 12.888 2.111 -9.120 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.160 2.743 -11.567 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.862 3.138 -11.425 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.271 0.624 -10.938 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.610 0.349 -11.424 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.049 1.349 -13.650 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.680 1.775 -13.171 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.211 -0.655 -12.815 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.580 -1.081 -13.294 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.116 -1.265 -15.157 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.975 -0.046 -15.463 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.555 0.367 -15.000 1.00 2.40 H new ATOM 1105 N ALA A 73 10.551 4.127 -8.501 1.00 0.22 N ATOM 1106 CA ALA A 73 10.230 5.510 -8.022 1.00 0.20 C ATOM 1107 C ALA A 73 9.294 5.417 -6.812 1.00 0.18 C ATOM 1108 O ALA A 73 8.267 4.777 -6.869 1.00 0.16 O ATOM 1109 CB ALA A 73 9.560 6.308 -9.164 1.00 0.21 C ATOM 0 H ALA A 73 9.838 3.424 -8.308 1.00 0.22 H new ATOM 0 HA ALA A 73 11.144 6.025 -7.726 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.326 7.314 -8.816 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.240 6.367 -10.014 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.641 5.807 -9.468 1.00 0.21 H new ATOM 1115 N THR A 74 9.643 6.059 -5.717 1.00 0.18 N ATOM 1116 CA THR A 74 8.775 6.013 -4.492 1.00 0.17 C ATOM 1117 C THR A 74 8.160 7.411 -4.270 1.00 0.17 C ATOM 1118 O THR A 74 8.771 8.396 -4.633 1.00 0.19 O ATOM 1119 CB THR A 74 9.644 5.661 -3.262 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.877 6.358 -3.360 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.943 4.147 -3.177 1.00 0.19 C ATOM 0 H THR A 74 10.493 6.614 -5.620 1.00 0.18 H new ATOM 0 HA THR A 74 7.993 5.265 -4.622 1.00 0.17 H new ATOM 0 HB THR A 74 9.092 5.949 -2.368 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.989 6.936 -2.577 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.556 3.946 -2.298 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.006 3.595 -3.100 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.478 3.831 -4.072 1.00 0.19 H new ATOM 1129 N PRO A 75 6.993 7.484 -3.653 1.00 0.17 N ATOM 1130 CA PRO A 75 6.206 6.313 -3.189 1.00 0.16 C ATOM 1131 C PRO A 75 5.490 5.657 -4.381 1.00 0.14 C ATOM 1132 O PRO A 75 5.040 6.330 -5.286 1.00 0.14 O ATOM 1133 CB PRO A 75 5.178 6.912 -2.201 1.00 0.17 C ATOM 1134 CG PRO A 75 5.220 8.458 -2.376 1.00 0.20 C ATOM 1135 CD PRO A 75 6.383 8.786 -3.340 1.00 0.19 C ATOM 0 HA PRO A 75 6.824 5.543 -2.727 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.179 6.528 -2.406 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.422 6.634 -1.176 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.275 8.824 -2.777 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.369 8.949 -1.414 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.021 9.280 -4.242 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.104 9.459 -2.875 1.00 0.19 H new ATOM 1143 N THR A 76 5.377 4.348 -4.378 1.00 0.13 N ATOM 1144 CA THR A 76 4.682 3.637 -5.503 1.00 0.12 C ATOM 1145 C THR A 76 3.420 2.978 -4.958 1.00 0.12 C ATOM 1146 O THR A 76 3.488 2.112 -4.112 1.00 0.18 O ATOM 1147 CB THR A 76 5.604 2.548 -6.081 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.937 3.028 -6.088 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.184 2.208 -7.516 1.00 0.13 C ATOM 0 H THR A 76 5.737 3.739 -3.643 1.00 0.13 H new ATOM 0 HA THR A 76 4.431 4.351 -6.287 1.00 0.12 H new ATOM 0 HB THR A 76 5.530 1.651 -5.466 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.983 3.859 -6.605 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.843 1.437 -7.915 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.157 1.844 -7.518 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.254 3.101 -8.137 1.00 0.13 H new ATOM 1157 N PHE A 77 2.268 3.365 -5.436 1.00 0.09 N ATOM 1158 CA PHE A 77 1.016 2.730 -4.934 1.00 0.09 C ATOM 1159 C PHE A 77 0.652 1.574 -5.846 1.00 0.09 C ATOM 1160 O PHE A 77 0.480 1.733 -7.037 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.125 3.740 -4.911 1.00 0.10 C ATOM 1162 CG PHE A 77 0.147 4.745 -3.830 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.106 4.405 -2.491 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.651 6.019 -4.156 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.146 5.341 -1.470 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.903 6.957 -3.137 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.651 6.620 -1.793 1.00 0.12 C ATOM 0 H PHE A 77 2.140 4.086 -6.146 1.00 0.09 H new ATOM 0 HA PHE A 77 1.180 2.371 -3.918 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.210 4.237 -5.877 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.074 3.235 -4.728 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.493 3.427 -2.245 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.844 6.276 -5.187 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.047 5.081 -0.440 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.289 7.934 -3.386 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.844 7.339 -1.010 1.00 0.12 H new ATOM 1177 N GLN A 78 0.538 0.407 -5.283 1.00 0.07 N ATOM 1178 CA GLN A 78 0.190 -0.800 -6.075 1.00 0.07 C ATOM 1179 C GLN A 78 -1.108 -1.367 -5.514 1.00 0.06 C ATOM 1180 O GLN A 78 -1.280 -1.477 -4.315 1.00 0.07 O ATOM 1181 CB GLN A 78 1.324 -1.815 -5.934 1.00 0.08 C ATOM 1182 CG GLN A 78 2.656 -1.133 -6.258 1.00 0.12 C ATOM 1183 CD GLN A 78 3.728 -2.190 -6.529 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.853 -1.860 -6.846 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.426 -3.454 -6.419 1.00 1.03 N ATOM 0 H GLN A 78 0.674 0.236 -4.287 1.00 0.07 H new ATOM 0 HA GLN A 78 0.058 -0.563 -7.131 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.345 -2.216 -4.921 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.160 -2.657 -6.607 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.542 -0.487 -7.128 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.961 -0.497 -5.427 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.481 -3.731 -6.153 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.135 -4.165 -6.599 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.038 -1.690 -6.371 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.356 -2.212 -5.906 1.00 0.07 C ATOM 1196 C PHE A 79 -3.464 -3.699 -6.230 1.00 0.07 C ATOM 1197 O PHE A 79 -3.284 -4.118 -7.356 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.474 -1.441 -6.621 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.428 0.012 -6.192 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.359 0.828 -6.592 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.443 0.541 -5.381 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.299 2.174 -6.186 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.389 1.885 -4.964 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.317 2.702 -5.368 1.00 0.11 C ATOM 0 H PHE A 79 -1.940 -1.614 -7.383 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.448 -2.079 -4.828 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.352 -1.518 -7.701 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.444 -1.874 -6.378 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.577 0.420 -7.216 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.269 -0.085 -5.075 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.476 2.799 -6.500 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.169 2.288 -4.335 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.275 3.734 -5.051 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.764 -4.494 -5.237 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.898 -5.967 -5.440 1.00 0.08 C ATOM 1216 C PHE A 80 -5.280 -6.398 -4.961 1.00 0.11 C ATOM 1217 O PHE A 80 -5.918 -5.724 -4.176 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.834 -6.699 -4.620 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.476 -6.524 -5.259 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.037 -7.426 -6.248 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.643 -5.464 -4.856 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.234 -7.265 -6.832 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.625 -5.302 -5.440 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.066 -6.202 -6.427 1.00 0.14 C ATOM 0 H PHE A 80 -3.924 -4.180 -4.280 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.768 -6.208 -6.495 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.818 -6.311 -3.601 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.080 -7.759 -4.554 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.675 -8.240 -6.558 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.979 -4.774 -4.096 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.571 -7.956 -7.590 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.261 -4.486 -5.131 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.041 -6.079 -6.874 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.745 -7.519 -5.427 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.085 -8.004 -5.006 1.00 0.14 C ATOM 1236 C LYS A 81 -7.102 -9.522 -5.166 1.00 0.14 C ATOM 1237 O LYS A 81 -6.834 -10.040 -6.231 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.160 -7.355 -5.891 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.524 -7.397 -5.188 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.535 -6.553 -5.974 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.764 -6.289 -5.102 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.851 -5.710 -5.941 1.00 1.48 N ATOM 0 H LYS A 81 -5.253 -8.124 -6.085 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.290 -7.740 -3.969 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.887 -6.322 -6.109 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.219 -7.877 -6.846 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.874 -8.426 -5.114 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.432 -7.018 -4.170 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.081 -5.609 -6.276 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.828 -7.073 -6.886 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.101 -7.217 -4.639 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.509 -5.604 -4.293 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.687 -5.530 -5.350 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.526 -4.816 -6.362 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.099 -6.379 -6.697 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.390 -10.236 -4.114 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.402 -11.722 -4.199 1.00 0.20 C ATOM 1258 C LYS A 82 -6.047 -12.226 -4.709 1.00 0.20 C ATOM 1259 O LYS A 82 -5.952 -13.285 -5.297 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.523 -12.182 -5.146 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.864 -12.174 -4.407 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.970 -12.693 -5.333 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.111 -11.779 -6.561 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.185 -12.244 -7.632 1.00 1.67 N ATOM 0 H LYS A 82 -7.618 -9.853 -3.197 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.584 -12.134 -3.207 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.572 -11.523 -6.013 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.309 -13.184 -5.518 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.802 -12.797 -3.515 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.100 -11.163 -4.074 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.739 -13.709 -5.652 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.916 -12.736 -4.793 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.139 -11.793 -6.922 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.883 -10.748 -6.289 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.606 -11.445 -7.961 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.565 -12.989 -7.255 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.737 -12.622 -8.428 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.996 -11.488 -4.473 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.646 -11.938 -4.926 1.00 0.21 C ATOM 1280 C GLY A 83 -3.399 -11.524 -6.380 1.00 0.19 C ATOM 1281 O GLY A 83 -2.374 -11.840 -6.950 1.00 0.22 O ATOM 0 H GLY A 83 -5.013 -10.592 -3.986 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.878 -11.506 -4.284 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.567 -13.021 -4.832 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.330 -10.827 -6.987 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.149 -10.397 -8.417 1.00 0.17 C ATOM 1287 C GLN A 84 -3.940 -8.880 -8.491 1.00 0.16 C ATOM 1288 O GLN A 84 -4.479 -8.128 -7.704 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.403 -10.765 -9.211 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.689 -12.260 -9.050 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.029 -12.597 -9.705 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.068 -13.143 -10.790 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.138 -12.295 -9.088 1.00 2.08 N ATOM 0 H GLN A 84 -5.208 -10.536 -6.557 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.276 -10.900 -8.833 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.254 -10.181 -8.859 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.264 -10.522 -10.264 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.891 -12.845 -9.508 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.712 -12.525 -7.993 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.106 -11.837 -8.177 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.037 -12.517 -9.516 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.163 -8.426 -9.444 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.917 -6.960 -9.585 1.00 0.17 C ATOM 1304 C LYS A 85 -4.032 -6.344 -10.431 1.00 0.16 C ATOM 1305 O LYS A 85 -4.506 -6.948 -11.374 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.569 -6.724 -10.271 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.370 -5.220 -10.506 1.00 0.25 C ATOM 1308 CD LYS A 85 0.115 -4.921 -10.737 1.00 0.30 C ATOM 1309 CE LYS A 85 0.604 -5.659 -11.985 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.826 -7.096 -11.657 1.00 1.70 N ATOM 0 H LYS A 85 -2.688 -9.011 -10.132 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.903 -6.498 -8.598 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.761 -7.116 -9.653 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.533 -7.259 -11.220 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.953 -4.897 -11.368 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.734 -4.657 -9.646 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.265 -3.848 -10.856 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.697 -5.230 -9.869 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.130 -5.567 -12.786 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.529 -5.210 -12.347 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.755 -7.395 -12.016 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.796 -7.225 -10.626 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 0.082 -7.672 -12.100 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.460 -5.150 -10.096 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.560 -4.485 -10.871 1.00 0.16 C ATOM 1326 C VAL A 86 -5.127 -3.081 -11.315 1.00 0.18 C ATOM 1327 O VAL A 86 -5.722 -2.499 -12.200 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.801 -4.378 -9.983 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.381 -5.774 -9.745 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.415 -3.753 -8.639 1.00 0.17 C ATOM 0 H VAL A 86 -4.094 -4.604 -9.316 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.784 -5.079 -11.757 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.546 -3.753 -10.476 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.265 -5.698 -9.112 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.656 -6.221 -10.700 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.636 -6.399 -9.253 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.299 -3.677 -8.006 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.670 -4.378 -8.148 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.001 -2.759 -8.806 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.104 -2.527 -10.720 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.664 -1.160 -11.135 1.00 0.18 C ATOM 1342 C GLY A 87 -2.516 -0.676 -10.243 1.00 0.10 C ATOM 1343 O GLY A 87 -2.150 -1.320 -9.280 1.00 0.08 O ATOM 0 H GLY A 87 -3.558 -2.955 -9.972 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.343 -1.175 -12.176 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.502 -0.466 -11.070 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.947 0.460 -10.560 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.823 0.996 -9.737 1.00 0.10 C ATOM 1349 C GLU A 88 -0.458 2.402 -10.207 1.00 0.10 C ATOM 1350 O GLU A 88 -0.686 2.767 -11.343 1.00 0.11 O ATOM 1351 CB GLU A 88 0.399 0.080 -9.872 1.00 0.17 C ATOM 1352 CG GLU A 88 0.810 -0.061 -11.354 1.00 0.25 C ATOM 1353 CD GLU A 88 1.797 1.049 -11.748 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.000 1.950 -10.951 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.336 0.972 -12.840 1.00 1.94 O ATOM 0 H GLU A 88 -2.214 1.040 -11.356 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.135 1.035 -8.693 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.230 0.486 -9.295 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.172 -0.902 -9.457 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.266 -1.037 -11.519 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.075 -0.011 -11.989 1.00 0.25 H new ATOM 1362 N PHE A 89 0.123 3.192 -9.344 1.00 0.09 N ATOM 1363 CA PHE A 89 0.518 4.568 -9.750 1.00 0.09 C ATOM 1364 C PHE A 89 1.426 5.198 -8.686 1.00 0.09 C ATOM 1365 O PHE A 89 1.152 5.143 -7.508 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.734 5.440 -9.984 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.348 5.897 -8.674 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.727 6.909 -7.909 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.554 5.319 -8.222 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.305 7.332 -6.701 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.132 5.748 -7.013 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.507 6.754 -6.252 1.00 0.11 C ATOM 0 H PHE A 89 0.340 2.943 -8.379 1.00 0.09 H new ATOM 0 HA PHE A 89 1.074 4.510 -10.685 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.466 6.310 -10.584 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.471 4.874 -10.554 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.193 7.358 -8.253 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.034 4.547 -8.805 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.826 8.103 -6.115 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.055 5.306 -6.669 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.950 7.082 -5.323 1.00 0.11 H new ATOM 1382 N SER A 90 2.511 5.803 -9.103 1.00 0.13 N ATOM 1383 CA SER A 90 3.451 6.453 -8.132 1.00 0.14 C ATOM 1384 C SER A 90 3.257 7.970 -8.189 1.00 0.14 C ATOM 1385 O SER A 90 2.339 8.464 -8.813 1.00 0.17 O ATOM 1386 CB SER A 90 4.889 6.114 -8.521 1.00 0.15 C ATOM 1387 OG SER A 90 5.309 6.979 -9.567 1.00 0.16 O ATOM 0 H SER A 90 2.789 5.876 -10.082 1.00 0.13 H new ATOM 0 HA SER A 90 3.249 6.092 -7.123 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.546 6.222 -7.658 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.955 5.075 -8.844 1.00 0.15 H new ATOM 0 HG SER A 90 6.243 7.238 -9.422 1.00 0.16 H new ATOM 1393 N GLY A 91 4.114 8.714 -7.543 1.00 0.12 N ATOM 1394 CA GLY A 91 3.984 10.204 -7.557 1.00 0.13 C ATOM 1395 C GLY A 91 3.177 10.658 -6.340 1.00 0.13 C ATOM 1396 O GLY A 91 2.105 10.153 -6.072 1.00 0.13 O ATOM 0 H GLY A 91 4.902 8.355 -7.004 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.971 10.666 -7.545 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.492 10.528 -8.474 1.00 0.13 H new ATOM 1400 N ALA A 92 3.688 11.600 -5.595 1.00 0.15 N ATOM 1401 CA ALA A 92 2.951 12.077 -4.388 1.00 0.17 C ATOM 1402 C ALA A 92 1.561 12.593 -4.779 1.00 0.15 C ATOM 1403 O ALA A 92 1.379 13.759 -5.064 1.00 0.16 O ATOM 1404 CB ALA A 92 3.743 13.211 -3.715 1.00 0.20 C ATOM 0 H ALA A 92 4.582 12.060 -5.769 1.00 0.15 H new ATOM 0 HA ALA A 92 2.838 11.243 -3.695 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.204 13.558 -2.834 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.725 12.842 -3.418 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.863 14.037 -4.416 1.00 0.20 H new ATOM 1410 N ASN A 93 0.573 11.737 -4.758 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.819 12.175 -5.088 1.00 0.13 C ATOM 1412 C ASN A 93 -1.770 11.468 -4.120 1.00 0.12 C ATOM 1413 O ASN A 93 -2.404 10.487 -4.451 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.157 11.801 -6.537 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.316 12.673 -7.030 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.322 12.803 -6.360 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.217 13.281 -8.179 1.00 1.15 N ATOM 0 H ASN A 93 0.669 10.749 -4.526 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.915 13.256 -4.989 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.284 11.943 -7.174 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.428 10.747 -6.598 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.983 13.865 -8.515 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.373 13.173 -8.742 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.843 11.953 -2.912 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.717 11.314 -1.885 1.00 0.20 C ATOM 1426 C LYS A 94 -4.188 11.405 -2.295 1.00 0.18 C ATOM 1427 O LYS A 94 -4.971 10.520 -2.015 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.516 12.019 -0.534 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.490 13.558 -0.724 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.037 14.076 -0.818 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.489 14.365 0.582 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.905 14.881 0.470 1.00 1.19 N ATOM 0 H LYS A 94 -1.330 12.773 -2.588 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.445 10.262 -1.799 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.319 11.744 0.149 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.583 11.687 -0.079 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.036 13.826 -1.629 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.999 14.040 0.110 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.411 13.336 -1.316 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.004 14.982 -1.424 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.120 15.096 1.088 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.505 13.458 1.186 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.280 15.078 1.420 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.502 14.169 0.003 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.907 15.756 -0.091 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.576 12.462 -2.951 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.999 12.589 -3.362 1.00 0.20 C ATOM 1448 C GLU A 95 -6.332 11.484 -4.363 1.00 0.17 C ATOM 1449 O GLU A 95 -7.468 11.075 -4.501 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.213 13.953 -4.015 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.957 15.058 -2.988 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.300 16.415 -3.603 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.361 16.523 -4.195 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.497 17.324 -3.470 1.00 1.95 O ATOM 0 H GLU A 95 -3.972 13.239 -3.219 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.647 12.498 -2.490 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.541 14.070 -4.865 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.230 14.028 -4.399 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.561 14.888 -2.097 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.913 15.042 -2.674 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.346 10.996 -5.063 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.598 9.918 -6.056 1.00 0.14 C ATOM 1463 C LYS A 96 -5.968 8.629 -5.321 1.00 0.12 C ATOM 1464 O LYS A 96 -6.809 7.879 -5.766 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.339 9.696 -6.904 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.708 9.002 -8.223 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.451 8.844 -9.115 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.825 8.994 -10.597 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.864 7.988 -10.957 1.00 2.05 N ATOM 0 H LYS A 96 -4.375 11.299 -4.989 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.420 10.207 -6.711 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.856 10.651 -7.109 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.622 9.088 -6.352 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.143 8.024 -8.018 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.465 9.584 -8.749 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.708 9.593 -8.843 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.997 7.868 -8.945 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.198 10.000 -10.788 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.941 8.858 -11.221 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.933 7.915 -11.992 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.603 7.062 -10.561 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.783 8.284 -10.569 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.352 8.358 -4.199 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.699 7.108 -3.464 1.00 0.11 C ATOM 1485 C LEU A 97 -7.208 7.084 -3.227 1.00 0.11 C ATOM 1486 O LEU A 97 -7.835 6.044 -3.256 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.980 7.050 -2.102 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.473 7.304 -2.261 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.874 7.708 -0.910 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.768 6.033 -2.750 1.00 0.13 C ATOM 0 H LEU A 97 -4.634 8.939 -3.766 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.384 6.251 -4.060 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.408 7.793 -1.429 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.141 6.074 -1.643 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.331 8.102 -2.989 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.805 7.888 -1.025 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.359 8.617 -0.554 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.032 6.907 -0.188 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.701 6.228 -2.858 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.919 5.232 -2.027 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.182 5.735 -3.713 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.795 8.224 -2.988 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.265 8.266 -2.744 1.00 0.14 C ATOM 1504 C GLU A 98 -10.006 7.863 -4.022 1.00 0.13 C ATOM 1505 O GLU A 98 -10.771 6.920 -4.038 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.680 9.686 -2.346 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.123 9.675 -1.834 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.162 9.086 -0.423 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.117 8.681 0.058 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.238 9.050 0.153 1.00 2.15 O ATOM 0 H GLU A 98 -7.322 9.127 -2.951 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.517 7.574 -1.940 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.012 10.068 -1.574 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.592 10.355 -3.202 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.525 10.688 -1.827 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.752 9.087 -2.502 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.791 8.583 -5.089 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.487 8.262 -6.369 1.00 0.14 C ATOM 1519 C ALA A 99 -10.150 6.838 -6.820 1.00 0.12 C ATOM 1520 O ALA A 99 -11.003 6.112 -7.282 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.045 9.254 -7.445 1.00 0.15 C ATOM 0 H ALA A 99 -9.160 9.384 -5.130 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.563 8.335 -6.214 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.551 9.023 -8.382 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.301 10.267 -7.134 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.967 9.180 -7.587 1.00 0.15 H new ATOM 1527 N THR A 100 -8.912 6.439 -6.705 1.00 0.11 N ATOM 1528 CA THR A 100 -8.520 5.066 -7.146 1.00 0.11 C ATOM 1529 C THR A 100 -9.210 4.019 -6.270 1.00 0.10 C ATOM 1530 O THR A 100 -9.768 3.058 -6.761 1.00 0.11 O ATOM 1531 CB THR A 100 -7.001 4.912 -7.025 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.361 5.977 -7.714 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.570 3.576 -7.633 1.00 0.12 C ATOM 0 H THR A 100 -8.153 7.004 -6.324 1.00 0.11 H new ATOM 0 HA THR A 100 -8.825 4.920 -8.182 1.00 0.11 H new ATOM 0 HB THR A 100 -6.717 4.937 -5.973 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.366 6.780 -7.152 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.489 3.469 -7.546 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.060 2.760 -7.102 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.854 3.547 -8.685 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.182 4.196 -4.981 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.844 3.208 -4.078 1.00 0.11 C ATOM 1543 C ILE A 101 -11.337 3.144 -4.422 1.00 0.13 C ATOM 1544 O ILE A 101 -11.882 2.084 -4.653 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.650 3.656 -2.616 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.195 3.373 -2.190 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.612 2.890 -1.694 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.826 4.182 -0.936 1.00 0.18 C ATOM 0 H ILE A 101 -8.731 4.980 -4.510 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.405 2.219 -4.208 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.860 4.723 -2.537 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.070 2.309 -1.991 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.517 3.627 -3.005 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.465 3.215 -0.664 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.641 3.090 -1.995 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.413 1.821 -1.769 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.795 3.966 -0.654 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.929 5.247 -1.146 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.491 3.908 -0.117 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.000 4.267 -4.459 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.454 4.261 -4.787 1.00 0.17 C ATOM 1562 C ASN A 102 -13.661 3.695 -6.194 1.00 0.18 C ATOM 1563 O ASN A 102 -14.756 3.322 -6.568 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.993 5.692 -4.729 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.520 5.669 -4.816 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.076 5.305 -5.833 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.226 6.044 -3.784 1.00 1.03 N ATOM 0 H ASN A 102 -11.599 5.187 -4.277 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.986 3.640 -4.066 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.679 6.172 -3.802 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.581 6.280 -5.549 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.245 6.031 -3.831 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.759 6.350 -2.930 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.621 3.632 -6.979 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.759 3.095 -8.363 1.00 0.18 C ATOM 1576 C GLU A 103 -12.847 1.566 -8.323 1.00 0.19 C ATOM 1577 O GLU A 103 -13.809 0.975 -8.771 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.537 3.511 -9.194 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.868 3.415 -10.685 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.817 4.551 -11.073 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.476 5.693 -10.816 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.869 4.259 -11.619 1.00 2.02 O ATOM 0 H GLU A 103 -11.680 3.930 -6.722 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.667 3.496 -8.814 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.244 4.530 -8.942 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.689 2.868 -8.958 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.954 3.473 -11.276 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.328 2.452 -10.905 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.832 0.927 -7.807 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.820 -0.566 -7.749 1.00 0.19 C ATOM 1591 C LEU A 104 -12.405 -1.050 -6.420 1.00 0.19 C ATOM 1592 O LEU A 104 -12.170 -2.165 -6.001 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.374 -1.050 -7.877 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.720 -0.411 -9.106 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.250 -0.829 -9.172 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.446 -0.866 -10.382 1.00 0.35 C ATOM 0 H LEU A 104 -11.003 1.378 -7.420 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.425 -0.966 -8.563 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.813 -0.791 -6.979 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.351 -2.136 -7.965 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.788 0.674 -9.028 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.782 -0.376 -10.046 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.736 -0.495 -8.271 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.183 -1.914 -9.247 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.975 -0.407 -11.252 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.387 -1.951 -10.467 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.492 -0.563 -10.333 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.170 -0.229 -5.753 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.763 -0.664 -4.457 1.00 0.22 C ATOM 1610 C VAL A 105 -14.733 -1.821 -4.709 1.00 0.26 C ATOM 1611 O VAL A 105 -15.417 -1.787 -5.719 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.516 0.503 -3.814 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.594 1.008 -4.775 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.170 0.033 -2.512 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.775 -2.722 -3.887 1.00 1.18 O ATOM 0 H VAL A 105 -13.409 0.718 -6.047 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.968 -0.990 -3.786 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.817 1.311 -3.598 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.130 1.839 -4.316 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.127 1.344 -5.701 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.294 0.201 -4.993 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.706 0.864 -2.054 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.869 -0.776 -2.727 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.401 -0.324 -1.827 1.00 0.27 H new ATOM 1692 N ARG B 4 18.099 3.317 -1.894 1.00 0.00 N ATOM 1693 CA ARG B 4 17.814 2.540 -3.142 1.00 0.00 C ATOM 1694 C ARG B 4 17.703 3.514 -4.334 1.00 0.00 C ATOM 1695 O ARG B 4 18.676 3.754 -5.022 1.00 0.00 O ATOM 1696 CB ARG B 4 16.503 1.731 -2.943 1.00 0.00 C ATOM 1697 CG ARG B 4 16.718 0.229 -3.239 1.00 0.00 C ATOM 1698 CD ARG B 4 17.419 0.020 -4.607 1.00 0.00 C ATOM 1699 NE ARG B 4 16.658 -0.975 -5.432 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.275 -2.119 -4.929 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.616 -2.452 -3.714 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.567 -2.941 -5.654 1.00 0.00 N ATOM 0 HA ARG B 4 18.622 1.839 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.149 1.855 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.727 2.125 -3.599 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.320 -0.218 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.757 -0.286 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.485 0.969 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.439 -0.330 -4.451 1.00 0.00 H new ATOM 0 HE ARG B 4 16.435 -0.755 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.184 -1.818 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.314 -3.346 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.314 -2.690 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.266 -3.835 -5.265 1.00 0.00 H new ATOM 1716 N TYR B 5 16.536 4.080 -4.583 1.00 0.00 N ATOM 1717 CA TYR B 5 16.380 5.042 -5.732 1.00 0.00 C ATOM 1718 C TYR B 5 15.807 6.380 -5.239 1.00 0.00 C ATOM 1719 O TYR B 5 15.738 6.645 -4.056 1.00 0.00 O ATOM 1720 CB TYR B 5 15.486 4.441 -6.835 1.00 0.00 C ATOM 1721 CG TYR B 5 14.338 3.653 -6.257 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.522 2.314 -5.869 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.073 4.250 -6.142 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.441 1.574 -5.354 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.992 3.513 -5.635 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.173 2.173 -5.237 1.00 0.00 C ATOM 1727 OH TYR B 5 11.112 1.449 -4.736 1.00 0.00 O ATOM 0 H TYR B 5 15.688 3.917 -4.041 1.00 0.00 H new ATOM 0 HA TYR B 5 17.366 5.225 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.097 5.242 -7.464 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.085 3.794 -7.476 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.494 1.853 -5.966 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.932 5.277 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.585 0.548 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.019 3.974 -5.550 1.00 0.00 H new ATOM 0 HH TYR B 5 11.430 0.576 -4.424 1.00 0.00 H new ATOM 1737 N VAL B 6 15.447 7.242 -6.156 1.00 0.00 N ATOM 1738 CA VAL B 6 14.931 8.595 -5.779 1.00 0.00 C ATOM 1739 C VAL B 6 13.522 8.530 -5.183 1.00 0.00 C ATOM 1740 O VAL B 6 12.715 7.694 -5.538 1.00 0.00 O ATOM 1741 CB VAL B 6 14.887 9.476 -7.034 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.866 10.951 -6.633 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.117 9.202 -7.895 1.00 0.00 C ATOM 0 H VAL B 6 15.489 7.065 -7.160 1.00 0.00 H new ATOM 0 HA VAL B 6 15.600 9.008 -5.024 1.00 0.00 H new ATOM 0 HB VAL B 6 13.985 9.244 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.835 11.571 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.985 11.150 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.764 11.185 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.084 9.829 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.018 9.429 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.128 8.153 -8.190 1.00 0.00 H new ATOM 1753 N CYS B 7 13.217 9.456 -4.305 1.00 0.00 N ATOM 1754 CA CYS B 7 11.857 9.521 -3.697 1.00 0.00 C ATOM 1755 C CYS B 7 11.073 10.623 -4.407 1.00 0.00 C ATOM 1756 O CYS B 7 11.173 11.782 -4.061 1.00 0.00 O ATOM 1757 CB CYS B 7 11.960 9.863 -2.209 1.00 0.00 C ATOM 1758 SG CYS B 7 13.180 8.794 -1.410 1.00 0.00 S ATOM 0 H CYS B 7 13.863 10.176 -3.982 1.00 0.00 H new ATOM 0 HA CYS B 7 11.359 8.557 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.245 10.908 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.988 9.740 -1.731 1.00 0.00 H new ATOM 1763 N GLU B 8 10.311 10.284 -5.411 1.00 0.00 N ATOM 1764 CA GLU B 8 9.550 11.337 -6.143 1.00 0.00 C ATOM 1765 C GLU B 8 8.248 11.656 -5.407 1.00 0.00 C ATOM 1766 O GLU B 8 7.196 11.809 -6.005 1.00 0.00 O ATOM 1767 CB GLU B 8 9.237 10.861 -7.566 1.00 0.00 C ATOM 1768 CG GLU B 8 8.795 9.397 -7.534 1.00 0.00 C ATOM 1769 CD GLU B 8 8.086 9.045 -8.846 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.651 9.315 -9.893 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.992 8.511 -8.778 1.00 0.00 O ATOM 0 H GLU B 8 10.183 9.332 -5.754 1.00 0.00 H new ATOM 0 HA GLU B 8 10.159 12.240 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.452 11.479 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.118 10.971 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.660 8.749 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.126 9.227 -6.690 1.00 0.00 H new ATOM 1778 N GLY B 9 8.315 11.800 -4.116 1.00 0.00 N ATOM 1779 CA GLY B 9 7.093 12.159 -3.358 1.00 0.00 C ATOM 1780 C GLY B 9 6.801 13.640 -3.670 1.00 0.00 C ATOM 1781 O GLY B 9 6.830 14.009 -4.828 1.00 0.00 O ATOM 0 H GLY B 9 9.160 11.685 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.255 11.528 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.243 12.010 -2.289 1.00 0.00 H new ATOM 1785 N PRO B 10 6.557 14.475 -2.675 1.00 0.00 N ATOM 1786 CA PRO B 10 6.315 15.904 -2.945 1.00 0.00 C ATOM 1787 C PRO B 10 7.628 16.561 -3.415 1.00 0.00 C ATOM 1788 O PRO B 10 7.868 17.728 -3.178 1.00 0.00 O ATOM 1789 CB PRO B 10 5.846 16.493 -1.593 1.00 0.00 C ATOM 1790 CG PRO B 10 6.001 15.374 -0.521 1.00 0.00 C ATOM 1791 CD PRO B 10 6.478 14.094 -1.247 1.00 0.00 C ATOM 0 HA PRO B 10 5.574 16.073 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.442 17.366 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.809 16.823 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.720 15.672 0.242 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.053 15.196 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.447 13.764 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.780 13.270 -1.096 1.00 0.00 H new ATOM 1799 N SER B 11 8.480 15.810 -4.069 1.00 0.00 N ATOM 1800 CA SER B 11 9.779 16.370 -4.549 1.00 0.00 C ATOM 1801 C SER B 11 9.636 16.846 -5.996 1.00 0.00 C ATOM 1802 O SER B 11 10.381 17.689 -6.453 1.00 0.00 O ATOM 1803 CB SER B 11 10.851 15.277 -4.480 1.00 0.00 C ATOM 1804 OG SER B 11 12.132 15.864 -4.666 1.00 0.00 O ATOM 0 H SER B 11 8.329 14.826 -4.292 1.00 0.00 H new ATOM 0 HA SER B 11 10.065 17.213 -3.920 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.807 14.769 -3.517 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.669 14.524 -5.246 1.00 0.00 H new ATOM 0 HG SER B 11 12.820 15.168 -4.621 1.00 0.00 H new