USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 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 13 HIS : no HD1:sc= 0.42 K(o=0.23,f=-5.1!) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.188 K(o=0.23,f=-2.5!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 122:sc= 0.343 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 24 ASN : amide:sc= -4.02! K(o=-4!,f=-3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.103 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.76! C(o=-7.8!,f=-6.4!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0572 (180deg=-0.351) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 20:sc= 0.344 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 75 LYS NZ :NH3+ -109:sc= -3.8! (180deg=-7.49!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0289 K(o=-0.029,f=-1.6) USER MOD Single : A 84 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-8.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -32:sc= 0.735 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -0.101 (180deg=-0.545) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.773 -5.578 6.448 1.00 0.00 N ATOM 18 CA ILE A 7 3.159 -4.351 5.972 1.00 0.00 C ATOM 19 C ILE A 7 1.893 -4.113 6.778 1.00 0.00 C ATOM 20 O ILE A 7 1.159 -5.058 7.068 1.00 0.00 O ATOM 21 CB ILE A 7 2.755 -4.431 4.473 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.719 -5.301 3.664 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.674 -3.040 3.857 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.126 -5.778 2.348 1.00 0.00 C ATOM 0 HA ILE A 7 3.887 -3.548 6.087 1.00 0.00 H new ATOM 0 HB ILE A 7 1.770 -4.897 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.629 -4.735 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.007 -6.166 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.390 -3.123 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.929 -2.449 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.646 -2.552 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.857 -6.390 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.232 -6.370 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.863 -4.917 1.734 1.00 0.00 H new ATOM 36 N GLN A 8 1.644 -2.876 7.164 1.00 0.00 N ATOM 37 CA GLN A 8 0.439 -2.561 7.900 1.00 0.00 C ATOM 38 C GLN A 8 -0.323 -1.448 7.197 1.00 0.00 C ATOM 39 O GLN A 8 0.133 -0.305 7.148 1.00 0.00 O ATOM 40 CB GLN A 8 0.787 -2.185 9.341 1.00 0.00 C ATOM 41 CG GLN A 8 1.382 -3.348 10.136 1.00 0.00 C ATOM 42 CD GLN A 8 1.713 -2.977 11.570 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.046 -1.832 11.873 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.633 -3.952 12.461 1.00 0.00 N ATOM 0 H GLN A 8 2.255 -2.080 6.981 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.207 -3.438 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.496 -1.357 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.112 -1.830 9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.678 -4.180 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.287 -3.696 9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.353 -4.888 12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.851 -3.767 13.440 1.00 0.00 H new ATOM 53 N VAL A 9 -1.462 -1.801 6.613 1.00 0.00 N ATOM 54 CA VAL A 9 -2.292 -0.832 5.913 1.00 0.00 C ATOM 55 C VAL A 9 -3.329 -0.219 6.841 1.00 0.00 C ATOM 56 O VAL A 9 -3.818 -0.869 7.766 1.00 0.00 O ATOM 57 CB VAL A 9 -3.020 -1.454 4.694 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.068 -1.625 3.522 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.637 -2.790 5.073 1.00 0.00 C ATOM 0 H VAL A 9 -1.831 -2.752 6.611 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.613 -0.057 5.557 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.815 -0.774 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.603 -2.063 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.669 -0.653 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.248 -2.282 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.145 -3.215 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.854 -3.471 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.356 -2.643 5.879 1.00 0.00 H new ATOM 69 N TYR A 10 -3.655 1.029 6.559 1.00 0.00 N ATOM 70 CA TYR A 10 -4.595 1.812 7.349 1.00 0.00 C ATOM 71 C TYR A 10 -5.192 2.893 6.466 1.00 0.00 C ATOM 72 O TYR A 10 -4.880 2.977 5.274 1.00 0.00 O ATOM 73 CB TYR A 10 -3.903 2.477 8.548 1.00 0.00 C ATOM 74 CG TYR A 10 -3.594 1.540 9.708 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.298 1.430 10.209 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.592 0.768 10.301 1.00 0.00 C ATOM 77 CE1 TYR A 10 -2.008 0.580 11.263 1.00 0.00 C ATOM 78 CE2 TYR A 10 -4.306 -0.086 11.358 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.013 -0.172 11.830 1.00 0.00 C ATOM 80 OH TYR A 10 -2.723 -1.018 12.877 1.00 0.00 O ATOM 0 H TYR A 10 -3.270 1.537 5.763 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.369 1.143 7.727 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.972 2.929 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.536 3.286 8.912 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.507 2.018 9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.605 0.835 9.932 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.998 0.507 11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.090 -0.678 11.807 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.541 -1.475 13.164 1.00 0.00 H new ATOM 90 N SER A 11 -6.060 3.705 7.037 1.00 0.00 N ATOM 91 CA SER A 11 -6.587 4.859 6.331 1.00 0.00 C ATOM 92 C SER A 11 -6.495 6.117 7.195 1.00 0.00 C ATOM 93 O SER A 11 -6.397 6.038 8.420 1.00 0.00 O ATOM 94 CB SER A 11 -8.042 4.610 5.950 1.00 0.00 C ATOM 95 OG SER A 11 -8.171 3.427 5.177 1.00 0.00 O ATOM 0 H SER A 11 -6.415 3.588 7.986 1.00 0.00 H new ATOM 0 HA SER A 11 -5.991 5.011 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.649 4.527 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.424 5.461 5.386 1.00 0.00 H new ATOM 0 HG SER A 11 -8.789 2.811 5.623 1.00 0.00 H new ATOM 101 N ARG A 12 -6.530 7.276 6.538 1.00 0.00 N ATOM 102 CA ARG A 12 -6.459 8.565 7.233 1.00 0.00 C ATOM 103 C ARG A 12 -7.846 8.974 7.735 1.00 0.00 C ATOM 104 O ARG A 12 -7.982 9.828 8.608 1.00 0.00 O ATOM 105 CB ARG A 12 -5.901 9.648 6.293 1.00 0.00 C ATOM 106 CG ARG A 12 -4.962 10.645 6.968 1.00 0.00 C ATOM 107 CD ARG A 12 -5.677 11.467 8.028 1.00 0.00 C ATOM 108 NE ARG A 12 -4.791 12.418 8.698 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.717 12.566 10.021 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.403 11.762 10.824 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.941 13.509 10.538 1.00 0.00 N ATOM 0 H ARG A 12 -6.607 7.351 5.524 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.791 8.461 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.369 9.163 5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.735 10.194 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.130 10.109 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.538 11.311 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.502 12.009 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.111 10.797 8.770 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.192 13.005 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.990 11.027 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.343 11.879 11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.402 14.120 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.883 13.624 11.550 1.00 0.00 H new ATOM 125 N HIS A 13 -8.873 8.344 7.192 1.00 0.00 N ATOM 126 CA HIS A 13 -10.249 8.708 7.495 1.00 0.00 C ATOM 127 C HIS A 13 -11.046 7.454 7.833 1.00 0.00 C ATOM 128 O HIS A 13 -10.617 6.346 7.511 1.00 0.00 O ATOM 129 CB HIS A 13 -10.891 9.413 6.292 1.00 0.00 C ATOM 130 CG HIS A 13 -10.161 10.642 5.834 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.596 10.714 4.582 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.945 11.809 6.484 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.053 11.918 4.501 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.240 12.615 5.628 1.00 0.00 N ATOM 0 H HIS A 13 -8.780 7.571 6.533 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.254 9.387 8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.949 8.709 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.914 9.687 6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.266 12.058 7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.526 12.291 3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.919 13.565 5.815 1.00 0.00 H new ATOM 142 N PRO A 14 -12.204 7.607 8.494 1.00 0.00 N ATOM 143 CA PRO A 14 -13.107 6.482 8.771 1.00 0.00 C ATOM 144 C PRO A 14 -13.714 5.938 7.477 1.00 0.00 C ATOM 145 O PRO A 14 -14.027 6.705 6.564 1.00 0.00 O ATOM 146 CB PRO A 14 -14.204 7.089 9.657 1.00 0.00 C ATOM 147 CG PRO A 14 -13.663 8.412 10.112 1.00 0.00 C ATOM 148 CD PRO A 14 -12.734 8.875 9.024 1.00 0.00 C ATOM 0 HA PRO A 14 -12.592 5.647 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.133 7.215 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.426 6.442 10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.468 9.130 10.269 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.135 8.312 11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.259 9.447 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.942 9.515 9.412 1.00 0.00 H new ATOM 156 N ALA A 15 -13.849 4.621 7.382 1.00 0.00 N ATOM 157 CA ALA A 15 -14.426 3.988 6.197 1.00 0.00 C ATOM 158 C ALA A 15 -15.892 4.387 5.997 1.00 0.00 C ATOM 159 O ALA A 15 -16.774 3.851 6.671 1.00 0.00 O ATOM 160 CB ALA A 15 -14.325 2.469 6.318 1.00 0.00 C ATOM 0 H ALA A 15 -13.567 3.967 8.112 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.860 4.332 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.757 2.004 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.278 2.180 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.868 2.138 7.203 1.00 0.00 H new ATOM 166 N GLU A 16 -16.160 5.319 5.081 1.00 0.00 N ATOM 167 CA GLU A 16 -17.542 5.692 4.773 1.00 0.00 C ATOM 168 C GLU A 16 -17.894 5.245 3.350 1.00 0.00 C ATOM 169 O GLU A 16 -17.492 5.886 2.377 1.00 0.00 O ATOM 170 CB GLU A 16 -17.766 7.212 4.935 1.00 0.00 C ATOM 171 CG GLU A 16 -18.588 7.624 6.158 1.00 0.00 C ATOM 172 CD GLU A 16 -18.003 7.151 7.473 1.00 0.00 C ATOM 173 OE1 GLU A 16 -17.142 7.860 8.036 1.00 0.00 O ATOM 174 OE2 GLU A 16 -18.427 6.086 7.965 1.00 0.00 O ATOM 0 H GLU A 16 -15.452 5.822 4.547 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.199 5.187 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.794 7.702 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.263 7.587 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.673 8.710 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.598 7.227 6.056 1.00 0.00 H new ATOM 181 N ASN A 17 -18.583 4.104 3.253 1.00 0.00 N ATOM 182 CA ASN A 17 -19.110 3.562 1.993 1.00 0.00 C ATOM 183 C ASN A 17 -19.664 4.660 1.064 1.00 0.00 C ATOM 184 O ASN A 17 -20.775 5.153 1.256 1.00 0.00 O ATOM 185 CB ASN A 17 -20.200 2.503 2.356 1.00 0.00 C ATOM 186 CG ASN A 17 -19.618 1.144 2.721 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.469 1.033 3.147 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.431 0.101 2.577 1.00 0.00 N ATOM 0 H ASN A 17 -18.795 3.519 4.061 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.302 3.095 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.793 2.873 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.879 2.385 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.109 -0.835 2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.377 0.237 2.220 1.00 0.00 H new ATOM 195 N GLY A 18 -18.854 5.043 0.058 1.00 0.00 N ATOM 196 CA GLY A 18 -19.269 6.063 -0.909 1.00 0.00 C ATOM 197 C GLY A 18 -18.372 7.287 -0.934 1.00 0.00 C ATOM 198 O GLY A 18 -18.546 8.157 -1.783 1.00 0.00 O ATOM 0 H GLY A 18 -17.921 4.663 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.289 5.619 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.287 6.376 -0.678 1.00 0.00 H new ATOM 202 N LYS A 19 -17.416 7.374 -0.020 1.00 0.00 N ATOM 203 CA LYS A 19 -16.495 8.522 -0.011 1.00 0.00 C ATOM 204 C LYS A 19 -15.189 8.182 -0.709 1.00 0.00 C ATOM 205 O LYS A 19 -14.807 7.016 -0.792 1.00 0.00 O ATOM 206 CB LYS A 19 -16.133 8.945 1.412 1.00 0.00 C ATOM 207 CG LYS A 19 -17.291 9.137 2.377 1.00 0.00 C ATOM 208 CD LYS A 19 -18.065 10.439 2.189 1.00 0.00 C ATOM 209 CE LYS A 19 -18.851 10.503 0.888 1.00 0.00 C ATOM 210 NZ LYS A 19 -20.090 9.684 0.941 1.00 0.00 N ATOM 0 H LYS A 19 -17.252 6.684 0.714 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.017 9.328 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.461 8.196 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.575 9.880 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.981 8.300 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.907 9.102 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.753 10.566 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.366 11.275 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.111 11.539 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.222 10.156 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.594 9.757 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.842 8.690 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.703 10.031 1.706 1.00 0.00 H new ATOM 224 N SER A 20 -14.514 9.204 -1.213 1.00 0.00 N ATOM 225 CA SER A 20 -13.142 9.052 -1.649 1.00 0.00 C ATOM 226 C SER A 20 -12.179 9.586 -0.591 1.00 0.00 C ATOM 227 O SER A 20 -12.384 10.659 -0.013 1.00 0.00 O ATOM 228 CB SER A 20 -12.908 9.718 -3.006 1.00 0.00 C ATOM 229 OG SER A 20 -13.744 10.852 -3.178 1.00 0.00 O ATOM 0 H SER A 20 -14.896 10.143 -1.328 1.00 0.00 H new ATOM 0 HA SER A 20 -12.946 7.987 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.864 10.018 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.099 8.999 -3.803 1.00 0.00 H new ATOM 0 HG SER A 20 -13.570 11.257 -4.053 1.00 0.00 H new ATOM 235 N ASN A 21 -11.125 8.822 -0.364 1.00 0.00 N ATOM 236 CA ASN A 21 -10.141 9.084 0.681 1.00 0.00 C ATOM 237 C ASN A 21 -8.833 8.476 0.184 1.00 0.00 C ATOM 238 O ASN A 21 -8.699 8.227 -1.017 1.00 0.00 O ATOM 239 CB ASN A 21 -10.548 8.439 2.020 1.00 0.00 C ATOM 240 CG ASN A 21 -11.994 8.690 2.437 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.914 8.026 1.962 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.204 9.598 3.372 1.00 0.00 N ATOM 0 H ASN A 21 -10.922 7.985 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.054 10.154 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.385 7.363 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.889 8.813 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.149 9.764 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.421 10.134 3.748 1.00 0.00 H new ATOM 249 N PHE A 22 -7.883 8.201 1.069 1.00 0.00 N ATOM 250 CA PHE A 22 -6.595 7.664 0.638 1.00 0.00 C ATOM 251 C PHE A 22 -6.237 6.381 1.378 1.00 0.00 C ATOM 252 O PHE A 22 -6.410 6.291 2.596 1.00 0.00 O ATOM 253 CB PHE A 22 -5.491 8.703 0.838 1.00 0.00 C ATOM 254 CG PHE A 22 -5.522 9.798 -0.185 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.335 11.124 0.172 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.744 9.491 -1.515 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.368 12.120 -0.786 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.779 10.478 -2.477 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.592 11.796 -2.112 1.00 0.00 C ATOM 0 H PHE A 22 -7.975 8.338 2.076 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.682 7.425 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.587 9.140 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.522 8.206 0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.162 11.381 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.892 8.461 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.219 13.151 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.952 10.221 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.621 12.574 -2.861 1.00 0.00 H new ATOM 269 N LEU A 23 -5.741 5.391 0.635 1.00 0.00 N ATOM 270 CA LEU A 23 -5.285 4.135 1.239 1.00 0.00 C ATOM 271 C LEU A 23 -3.811 4.247 1.606 1.00 0.00 C ATOM 272 O LEU A 23 -2.968 4.561 0.765 1.00 0.00 O ATOM 273 CB LEU A 23 -5.521 2.934 0.298 1.00 0.00 C ATOM 274 CG LEU A 23 -4.854 1.592 0.699 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.222 1.171 2.119 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.254 0.494 -0.278 1.00 0.00 C ATOM 0 H LEU A 23 -5.644 5.432 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.868 3.959 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.596 2.770 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.167 3.206 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.775 1.744 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.733 0.226 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.894 1.937 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.303 1.049 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.780 -0.443 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.337 0.372 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.932 0.766 -1.283 1.00 0.00 H new ATOM 288 N ASN A 24 -3.515 3.994 2.866 1.00 0.00 N ATOM 289 CA ASN A 24 -2.150 4.119 3.378 1.00 0.00 C ATOM 290 C ASN A 24 -1.530 2.741 3.562 1.00 0.00 C ATOM 291 O ASN A 24 -2.048 1.910 4.307 1.00 0.00 O ATOM 292 CB ASN A 24 -2.112 4.940 4.703 1.00 0.00 C ATOM 293 CG ASN A 24 -1.103 4.428 5.723 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.414 3.575 6.552 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.102 4.973 5.697 1.00 0.00 N ATOM 0 H ASN A 24 -4.199 3.699 3.562 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.558 4.667 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.880 5.979 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.105 4.930 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.806 4.688 6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.328 5.678 4.996 1.00 0.00 H new ATOM 302 N CYS A 25 -0.449 2.478 2.837 1.00 0.00 N ATOM 303 CA CYS A 25 0.320 1.261 3.023 1.00 0.00 C ATOM 304 C CYS A 25 1.681 1.635 3.595 1.00 0.00 C ATOM 305 O CYS A 25 2.496 2.262 2.916 1.00 0.00 O ATOM 306 CB CYS A 25 0.489 0.535 1.681 1.00 0.00 C ATOM 307 SG CYS A 25 1.789 -0.734 1.684 1.00 0.00 S ATOM 0 H CYS A 25 -0.087 3.097 2.112 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.199 0.592 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.458 0.069 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.715 1.270 0.908 1.00 0.00 H new ATOM 312 N TYR A 26 1.915 1.283 4.848 1.00 0.00 N ATOM 313 CA TYR A 26 3.146 1.687 5.529 1.00 0.00 C ATOM 314 C TYR A 26 4.168 0.556 5.500 1.00 0.00 C ATOM 315 O TYR A 26 4.031 -0.446 6.206 1.00 0.00 O ATOM 316 CB TYR A 26 2.825 2.187 6.969 1.00 0.00 C ATOM 317 CG TYR A 26 3.959 2.172 7.979 1.00 0.00 C ATOM 318 CD1 TYR A 26 4.026 1.193 8.967 1.00 0.00 C ATOM 319 CD2 TYR A 26 4.927 3.163 7.979 1.00 0.00 C ATOM 320 CE1 TYR A 26 5.029 1.207 9.920 1.00 0.00 C ATOM 321 CE2 TYR A 26 5.936 3.182 8.923 1.00 0.00 C ATOM 322 CZ TYR A 26 5.981 2.207 9.894 1.00 0.00 C ATOM 323 OH TYR A 26 6.977 2.237 10.844 1.00 0.00 O ATOM 0 H TYR A 26 1.278 0.723 5.415 1.00 0.00 H new ATOM 0 HA TYR A 26 3.599 2.525 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.451 3.208 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.012 1.578 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.283 0.410 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.892 3.936 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.067 0.440 10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.686 3.959 8.899 1.00 0.00 H new ATOM 0 HH TYR A 26 7.563 3.005 10.679 1.00 0.00 H new ATOM 333 N VAL A 27 5.173 0.714 4.635 1.00 0.00 N ATOM 334 CA VAL A 27 6.229 -0.275 4.462 1.00 0.00 C ATOM 335 C VAL A 27 7.476 0.176 5.246 1.00 0.00 C ATOM 336 O VAL A 27 7.892 1.334 5.168 1.00 0.00 O ATOM 337 CB VAL A 27 6.574 -0.448 2.953 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.584 -1.570 2.732 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.312 -0.714 2.140 1.00 0.00 C ATOM 0 H VAL A 27 5.274 1.534 4.036 1.00 0.00 H new ATOM 0 HA VAL A 27 5.887 -1.237 4.843 1.00 0.00 H new ATOM 0 HB VAL A 27 7.026 0.484 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.800 -1.661 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.504 -1.343 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.171 -2.509 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.575 -0.832 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.833 -1.625 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.625 0.125 2.250 1.00 0.00 H new ATOM 349 N SER A 28 8.017 -0.740 6.034 1.00 0.00 N ATOM 350 CA SER A 28 9.177 -0.477 6.891 1.00 0.00 C ATOM 351 C SER A 28 10.500 -0.399 6.097 1.00 0.00 C ATOM 352 O SER A 28 10.473 -0.259 4.876 1.00 0.00 O ATOM 353 CB SER A 28 9.188 -1.497 8.030 1.00 0.00 C ATOM 354 OG SER A 28 10.267 -1.290 8.931 1.00 0.00 O ATOM 0 H SER A 28 7.666 -1.695 6.102 1.00 0.00 H new ATOM 0 HA SER A 28 9.087 0.516 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.246 -1.439 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.253 -2.502 7.614 1.00 0.00 H new ATOM 0 HG SER A 28 10.233 -1.963 9.642 1.00 0.00 H new ATOM 360 N GLY A 29 11.651 -0.496 6.789 1.00 0.00 N ATOM 361 CA GLY A 29 12.880 0.177 6.359 1.00 0.00 C ATOM 362 C GLY A 29 13.568 -0.412 5.143 1.00 0.00 C ATOM 363 O GLY A 29 14.719 -0.079 4.885 1.00 0.00 O ATOM 0 H GLY A 29 11.750 -1.036 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.645 1.221 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.585 0.170 7.190 1.00 0.00 H new ATOM 367 N PHE A 30 12.947 -1.365 4.468 1.00 0.00 N ATOM 368 CA PHE A 30 13.263 -1.615 3.063 1.00 0.00 C ATOM 369 C PHE A 30 13.634 -0.319 2.336 1.00 0.00 C ATOM 370 O PHE A 30 12.890 0.659 2.381 1.00 0.00 O ATOM 371 CB PHE A 30 12.055 -2.242 2.377 1.00 0.00 C ATOM 372 CG PHE A 30 11.500 -3.457 3.093 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.536 -3.324 4.088 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.940 -4.734 2.763 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.017 -4.441 4.730 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.430 -5.849 3.406 1.00 0.00 C ATOM 377 CZ PHE A 30 10.467 -5.699 4.387 1.00 0.00 C ATOM 0 H PHE A 30 12.229 -1.974 4.860 1.00 0.00 H new ATOM 0 HA PHE A 30 14.118 -2.290 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.268 -1.492 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.334 -2.527 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.187 -2.340 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.689 -4.858 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.264 -4.325 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.784 -6.835 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.066 -6.569 4.886 1.00 0.00 H new ATOM 387 N HIS A 31 14.788 -0.310 1.676 1.00 0.00 N ATOM 388 CA HIS A 31 15.250 0.887 0.975 1.00 0.00 C ATOM 389 C HIS A 31 14.397 1.144 -0.262 1.00 0.00 C ATOM 390 O HIS A 31 14.331 0.303 -1.155 1.00 0.00 O ATOM 391 CB HIS A 31 16.725 0.763 0.574 1.00 0.00 C ATOM 392 CG HIS A 31 17.646 0.535 1.734 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.087 -0.727 2.047 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.178 1.421 2.618 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.868 -0.585 3.103 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.953 0.695 3.482 1.00 0.00 N ATOM 0 H HIS A 31 15.417 -1.110 1.611 1.00 0.00 H new ATOM 0 HA HIS A 31 15.151 1.730 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.833 -0.061 -0.132 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.029 1.671 0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.020 2.489 2.635 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.374 -1.400 3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.493 1.061 4.266 1.00 0.00 H new ATOM 404 N PRO A 32 13.765 2.332 -0.321 1.00 0.00 N ATOM 405 CA PRO A 32 12.774 2.707 -1.352 1.00 0.00 C ATOM 406 C PRO A 32 13.147 2.307 -2.786 1.00 0.00 C ATOM 407 O PRO A 32 12.269 2.017 -3.597 1.00 0.00 O ATOM 408 CB PRO A 32 12.715 4.232 -1.211 1.00 0.00 C ATOM 409 CG PRO A 32 12.951 4.455 0.243 1.00 0.00 C ATOM 410 CD PRO A 32 13.979 3.432 0.643 1.00 0.00 C ATOM 0 HA PRO A 32 11.829 2.188 -1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.474 4.721 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.749 4.627 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.310 5.467 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.031 4.331 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.991 3.832 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.835 3.099 1.671 1.00 0.00 H new ATOM 418 N SER A 33 14.436 2.280 -3.087 1.00 0.00 N ATOM 419 CA SER A 33 14.900 2.038 -4.446 1.00 0.00 C ATOM 420 C SER A 33 14.702 0.580 -4.897 1.00 0.00 C ATOM 421 O SER A 33 14.217 0.339 -6.004 1.00 0.00 O ATOM 422 CB SER A 33 16.376 2.460 -4.589 1.00 0.00 C ATOM 423 OG SER A 33 16.853 2.222 -5.900 1.00 0.00 O ATOM 0 H SER A 33 15.182 2.423 -2.407 1.00 0.00 H new ATOM 0 HA SER A 33 14.285 2.650 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.479 3.518 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.985 1.909 -3.872 1.00 0.00 H new ATOM 0 HG SER A 33 17.791 2.500 -5.962 1.00 0.00 H new ATOM 429 N ASP A 34 15.049 -0.395 -4.056 1.00 0.00 N ATOM 430 CA ASP A 34 15.088 -1.793 -4.511 1.00 0.00 C ATOM 431 C ASP A 34 13.853 -2.581 -4.093 1.00 0.00 C ATOM 432 O ASP A 34 13.890 -3.814 -4.062 1.00 0.00 O ATOM 433 CB ASP A 34 16.324 -2.536 -3.982 1.00 0.00 C ATOM 434 CG ASP A 34 17.632 -1.846 -4.296 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.168 -2.056 -5.406 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.143 -1.119 -3.418 1.00 0.00 O ATOM 0 H ASP A 34 15.302 -0.253 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 34 15.126 -1.734 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.234 -2.649 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.342 -3.540 -4.407 1.00 0.00 H new ATOM 441 N ILE A 35 12.757 -1.910 -3.775 1.00 0.00 N ATOM 442 CA ILE A 35 11.570 -2.637 -3.357 1.00 0.00 C ATOM 443 C ILE A 35 10.408 -2.357 -4.293 1.00 0.00 C ATOM 444 O ILE A 35 10.421 -1.383 -5.048 1.00 0.00 O ATOM 445 CB ILE A 35 11.144 -2.323 -1.892 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.048 -1.241 -1.838 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.349 -1.921 -1.046 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.528 -0.975 -0.441 1.00 0.00 C ATOM 0 H ILE A 35 12.664 -0.894 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 35 11.835 -3.693 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 35 10.723 -3.237 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.444 -0.314 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.217 -1.545 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.024 -1.707 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.072 -2.736 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.813 -1.032 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.760 -0.203 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.102 -1.891 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.348 -0.640 0.195 1.00 0.00 H new ATOM 460 N GLU A 36 9.413 -3.222 -4.236 1.00 0.00 N ATOM 461 CA GLU A 36 8.233 -3.096 -5.070 1.00 0.00 C ATOM 462 C GLU A 36 6.975 -3.157 -4.218 1.00 0.00 C ATOM 463 O GLU A 36 6.675 -4.188 -3.619 1.00 0.00 O ATOM 464 CB GLU A 36 8.216 -4.209 -6.116 1.00 0.00 C ATOM 465 CG GLU A 36 9.325 -4.086 -7.156 1.00 0.00 C ATOM 466 CD GLU A 36 9.521 -5.361 -7.945 1.00 0.00 C ATOM 467 OE1 GLU A 36 10.299 -6.231 -7.492 1.00 0.00 O ATOM 468 OE2 GLU A 36 8.908 -5.503 -9.021 1.00 0.00 O ATOM 0 H GLU A 36 9.400 -4.029 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 36 8.261 -2.132 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.307 -5.171 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.251 -4.205 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.088 -3.271 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.258 -3.823 -6.658 1.00 0.00 H new ATOM 475 N VAL A 37 6.262 -2.044 -4.144 1.00 0.00 N ATOM 476 CA VAL A 37 5.013 -1.979 -3.392 1.00 0.00 C ATOM 477 C VAL A 37 3.897 -1.397 -4.266 1.00 0.00 C ATOM 478 O VAL A 37 4.093 -0.387 -4.947 1.00 0.00 O ATOM 479 CB VAL A 37 5.174 -1.162 -2.068 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.423 -0.300 -2.119 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.948 -0.299 -1.781 1.00 0.00 C ATOM 0 H VAL A 37 6.526 -1.169 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 37 4.740 -2.995 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 37 5.272 -1.880 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.517 0.260 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.299 -0.936 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.351 0.395 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.100 0.252 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.798 0.404 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.069 -0.936 -1.684 1.00 0.00 H new ATOM 491 N ASP A 38 2.739 -2.051 -4.259 1.00 0.00 N ATOM 492 CA ASP A 38 1.581 -1.593 -5.025 1.00 0.00 C ATOM 493 C ASP A 38 0.337 -1.644 -4.137 1.00 0.00 C ATOM 494 O ASP A 38 0.316 -2.347 -3.125 1.00 0.00 O ATOM 495 CB ASP A 38 1.327 -2.472 -6.278 1.00 0.00 C ATOM 496 CG ASP A 38 2.426 -2.420 -7.322 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.117 -3.448 -7.508 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.572 -1.376 -7.991 1.00 0.00 O ATOM 0 H ASP A 38 2.576 -2.906 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 38 1.787 -0.575 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.196 -3.506 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.390 -2.160 -6.740 1.00 0.00 H new ATOM 503 N LEU A 39 -0.701 -0.921 -4.535 1.00 0.00 N ATOM 504 CA LEU A 39 -1.970 -0.943 -3.815 1.00 0.00 C ATOM 505 C LEU A 39 -2.984 -1.758 -4.624 1.00 0.00 C ATOM 506 O LEU A 39 -3.179 -1.508 -5.818 1.00 0.00 O ATOM 507 CB LEU A 39 -2.482 0.482 -3.532 1.00 0.00 C ATOM 508 CG LEU A 39 -1.945 1.144 -2.242 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.452 1.415 -2.317 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.685 2.436 -1.943 1.00 0.00 C ATOM 0 H LEU A 39 -0.691 -0.311 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.826 -1.416 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.222 1.117 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.570 0.453 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.120 0.435 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.120 1.880 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.081 0.476 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.245 2.084 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.287 2.880 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.553 3.131 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.746 2.225 -1.811 1.00 0.00 H new ATOM 522 N LEU A 40 -3.597 -2.754 -3.983 1.00 0.00 N ATOM 523 CA LEU A 40 -4.413 -3.747 -4.685 1.00 0.00 C ATOM 524 C LEU A 40 -5.854 -3.808 -4.177 1.00 0.00 C ATOM 525 O LEU A 40 -6.192 -3.247 -3.136 1.00 0.00 O ATOM 526 CB LEU A 40 -3.825 -5.157 -4.520 1.00 0.00 C ATOM 527 CG LEU A 40 -2.365 -5.373 -4.924 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.118 -6.863 -5.109 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.996 -4.622 -6.197 1.00 0.00 C ATOM 0 H LEU A 40 -3.544 -2.895 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.410 -3.430 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.929 -5.443 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.439 -5.846 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.734 -4.977 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.080 -7.027 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.322 -7.384 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.776 -7.247 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.950 -4.809 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.626 -4.966 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.148 -3.553 -6.046 1.00 0.00 H new ATOM 541 N LYS A 41 -6.684 -4.516 -4.949 1.00 0.00 N ATOM 542 CA LYS A 41 -8.033 -4.906 -4.551 1.00 0.00 C ATOM 543 C LYS A 41 -8.157 -6.406 -4.680 1.00 0.00 C ATOM 544 O LYS A 41 -8.297 -6.899 -5.797 1.00 0.00 O ATOM 545 CB LYS A 41 -9.090 -4.301 -5.483 1.00 0.00 C ATOM 546 CG LYS A 41 -8.694 -2.943 -6.030 1.00 0.00 C ATOM 547 CD LYS A 41 -9.676 -2.356 -7.102 1.00 0.00 C ATOM 548 CE LYS A 41 -11.200 -2.444 -6.805 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.990 -2.217 -8.044 1.00 0.00 N ATOM 0 H LYS A 41 -6.430 -4.838 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.194 -4.556 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.266 -4.984 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.032 -4.208 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.621 -2.240 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.700 -3.020 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.423 -1.306 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.487 -2.867 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.439 -3.423 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.473 -1.704 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.005 -2.280 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.776 -1.273 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.743 -2.939 -8.750 1.00 0.00 H new ATOM 563 N ASN A 42 -8.157 -7.130 -3.569 1.00 0.00 N ATOM 564 CA ASN A 42 -8.278 -8.588 -3.613 1.00 0.00 C ATOM 565 C ASN A 42 -7.305 -9.174 -4.650 1.00 0.00 C ATOM 566 O ASN A 42 -7.658 -10.068 -5.424 1.00 0.00 O ATOM 567 CB ASN A 42 -9.730 -8.974 -3.982 1.00 0.00 C ATOM 568 CG ASN A 42 -10.794 -8.092 -3.375 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.460 -8.464 -2.415 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.973 -6.916 -3.978 1.00 0.00 N ATOM 0 H ASN A 42 -8.075 -6.739 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.030 -8.994 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.833 -8.949 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.908 -10.003 -3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.693 -6.276 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.390 -6.657 -4.774 1.00 0.00 H new ATOM 577 N GLY A 43 -6.076 -8.660 -4.660 1.00 0.00 N ATOM 578 CA GLY A 43 -5.101 -9.103 -5.644 1.00 0.00 C ATOM 579 C GLY A 43 -5.248 -8.468 -7.027 1.00 0.00 C ATOM 580 O GLY A 43 -4.844 -9.067 -8.023 1.00 0.00 O ATOM 0 H GLY A 43 -5.740 -7.950 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.102 -8.888 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.177 -10.185 -5.747 1.00 0.00 H new ATOM 584 N GLU A 44 -5.809 -7.266 -7.106 1.00 0.00 N ATOM 585 CA GLU A 44 -6.013 -6.599 -8.394 1.00 0.00 C ATOM 586 C GLU A 44 -5.421 -5.183 -8.339 1.00 0.00 C ATOM 587 O GLU A 44 -5.844 -4.362 -7.526 1.00 0.00 O ATOM 588 CB GLU A 44 -7.517 -6.576 -8.739 1.00 0.00 C ATOM 589 CG GLU A 44 -7.875 -5.976 -10.100 1.00 0.00 C ATOM 590 CD GLU A 44 -8.602 -4.649 -9.984 1.00 0.00 C ATOM 591 OE1 GLU A 44 -9.847 -4.665 -9.862 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.949 -3.590 -10.044 1.00 0.00 O ATOM 0 H GLU A 44 -6.131 -6.732 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.500 -7.148 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.895 -7.598 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.040 -6.014 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.964 -5.836 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.499 -6.680 -10.650 1.00 0.00 H new ATOM 599 N ARG A 45 -4.400 -4.938 -9.162 1.00 0.00 N ATOM 600 CA ARG A 45 -3.702 -3.645 -9.209 1.00 0.00 C ATOM 601 C ARG A 45 -4.688 -2.497 -9.453 1.00 0.00 C ATOM 602 O ARG A 45 -5.282 -2.394 -10.526 1.00 0.00 O ATOM 603 CB ARG A 45 -2.647 -3.676 -10.335 1.00 0.00 C ATOM 604 CG ARG A 45 -1.369 -2.904 -10.033 1.00 0.00 C ATOM 605 CD ARG A 45 -0.441 -2.832 -11.252 1.00 0.00 C ATOM 606 NE ARG A 45 -1.029 -2.050 -12.349 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.321 -1.529 -13.357 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.005 -1.631 -13.362 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.933 -0.878 -14.343 1.00 0.00 N ATOM 0 H ARG A 45 -4.031 -5.628 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.215 -3.476 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.387 -4.714 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.093 -3.271 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.623 -1.894 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.844 -3.381 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.509 -2.386 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.224 -3.841 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.037 -1.895 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.483 -2.107 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.544 -1.233 -14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.948 -0.774 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.387 -0.483 -15.109 1.00 0.00 H new ATOM 623 N ILE A 46 -4.830 -1.633 -8.439 1.00 0.00 N ATOM 624 CA ILE A 46 -5.753 -0.499 -8.480 1.00 0.00 C ATOM 625 C ILE A 46 -5.445 0.438 -9.646 1.00 0.00 C ATOM 626 O ILE A 46 -6.299 0.631 -10.508 1.00 0.00 O ATOM 627 CB ILE A 46 -5.711 0.283 -7.147 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.131 -0.645 -6.004 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.609 1.520 -7.203 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.030 -0.036 -4.629 1.00 0.00 C ATOM 0 H ILE A 46 -4.305 -1.704 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.756 -0.900 -8.628 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.693 0.631 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.160 -0.962 -6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.512 -1.542 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.559 2.049 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.271 2.179 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.638 1.214 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.348 -0.765 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.998 0.255 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.672 0.843 -4.572 1.00 0.00 H new ATOM 642 N GLU A 47 -4.282 1.110 -9.559 1.00 0.00 N ATOM 643 CA GLU A 47 -3.587 1.771 -10.695 1.00 0.00 C ATOM 644 C GLU A 47 -3.361 3.252 -10.415 1.00 0.00 C ATOM 645 O GLU A 47 -2.357 3.815 -10.852 1.00 0.00 O ATOM 646 CB GLU A 47 -4.292 1.641 -12.063 1.00 0.00 C ATOM 647 CG GLU A 47 -4.358 0.222 -12.614 1.00 0.00 C ATOM 648 CD GLU A 47 -4.538 0.183 -14.114 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.522 0.064 -14.833 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.693 0.263 -14.582 1.00 0.00 O ATOM 0 H GLU A 47 -3.781 1.215 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.643 1.232 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.307 2.028 -11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.774 2.273 -12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.444 -0.309 -12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.184 -0.309 -12.140 1.00 0.00 H new ATOM 657 N LYS A 48 -4.271 3.898 -9.680 1.00 0.00 N ATOM 658 CA LYS A 48 -4.164 5.338 -9.448 1.00 0.00 C ATOM 659 C LYS A 48 -3.218 5.612 -8.286 1.00 0.00 C ATOM 660 O LYS A 48 -3.577 6.317 -7.344 1.00 0.00 O ATOM 661 CB LYS A 48 -5.538 5.961 -9.114 1.00 0.00 C ATOM 662 CG LYS A 48 -6.725 5.458 -9.945 1.00 0.00 C ATOM 663 CD LYS A 48 -6.480 5.580 -11.443 1.00 0.00 C ATOM 664 CE LYS A 48 -6.498 7.033 -11.901 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.836 7.652 -11.709 1.00 0.00 N ATOM 0 H LYS A 48 -5.078 3.453 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.782 5.787 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.752 5.775 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.465 7.041 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.923 4.415 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.617 6.024 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.518 5.132 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.242 5.019 -11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.751 7.600 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.220 7.087 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.908 8.510 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.575 6.977 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.962 7.902 -10.707 1.00 0.00 H new ATOM 679 N VAL A 49 -2.015 5.070 -8.350 1.00 0.00 N ATOM 680 CA VAL A 49 -1.081 5.189 -7.246 1.00 0.00 C ATOM 681 C VAL A 49 0.200 5.836 -7.754 1.00 0.00 C ATOM 682 O VAL A 49 0.683 5.507 -8.839 1.00 0.00 O ATOM 683 CB VAL A 49 -0.792 3.809 -6.578 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.578 3.264 -6.937 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.932 3.896 -5.070 1.00 0.00 C ATOM 0 H VAL A 49 -1.663 4.546 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.525 5.817 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.536 3.116 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.727 2.303 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.646 3.134 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.346 3.963 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.725 2.921 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.224 4.628 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.947 4.202 -4.816 1.00 0.00 H new ATOM 695 N GLU A 50 0.714 6.791 -7.001 1.00 0.00 N ATOM 696 CA GLU A 50 1.929 7.489 -7.410 1.00 0.00 C ATOM 697 C GLU A 50 2.852 7.783 -6.238 1.00 0.00 C ATOM 698 O GLU A 50 2.523 8.584 -5.362 1.00 0.00 O ATOM 699 CB GLU A 50 1.573 8.802 -8.120 1.00 0.00 C ATOM 700 CG GLU A 50 1.273 8.654 -9.607 1.00 0.00 C ATOM 701 CD GLU A 50 2.508 8.309 -10.410 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.310 9.225 -10.688 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.680 7.132 -10.781 1.00 0.00 O ATOM 0 H GLU A 50 0.319 7.102 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 50 2.460 6.826 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.705 9.242 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.399 9.503 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.522 7.877 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.845 9.583 -9.983 1.00 0.00 H new ATOM 921 N LEU A 64 7.848 4.535 4.515 1.00 0.00 N ATOM 922 CA LEU A 64 7.483 4.435 3.104 1.00 0.00 C ATOM 923 C LEU A 64 5.966 4.401 2.959 1.00 0.00 C ATOM 924 O LEU A 64 5.299 3.559 3.565 1.00 0.00 O ATOM 925 CB LEU A 64 8.067 3.139 2.517 1.00 0.00 C ATOM 926 CG LEU A 64 9.349 3.266 1.688 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.099 1.941 1.681 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.018 3.684 0.261 1.00 0.00 C ATOM 0 HA LEU A 64 7.880 5.300 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.263 2.452 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.304 2.677 1.891 1.00 0.00 H new ATOM 0 HG LEU A 64 9.982 4.031 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.009 2.041 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.359 1.665 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.467 1.167 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.939 3.770 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.372 2.935 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.506 4.646 0.273 1.00 0.00 H new ATOM 940 N LEU A 65 5.422 5.323 2.169 1.00 0.00 N ATOM 941 CA LEU A 65 3.993 5.347 1.892 1.00 0.00 C ATOM 942 C LEU A 65 3.709 5.712 0.432 1.00 0.00 C ATOM 943 O LEU A 65 4.392 6.544 -0.160 1.00 0.00 O ATOM 944 CB LEU A 65 3.311 6.361 2.814 1.00 0.00 C ATOM 945 CG LEU A 65 1.857 6.700 2.469 1.00 0.00 C ATOM 946 CD1 LEU A 65 0.969 5.493 2.684 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.369 7.881 3.294 1.00 0.00 C ATOM 0 H LEU A 65 5.952 6.064 1.710 1.00 0.00 H new ATOM 0 HA LEU A 65 3.597 4.348 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.343 5.976 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.892 7.283 2.803 1.00 0.00 H new ATOM 0 HG LEU A 65 1.809 6.980 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.061 5.750 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.304 4.676 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.023 5.183 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.335 8.105 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.431 7.635 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.992 8.751 3.087 1.00 0.00 H new ATOM 959 N TYR A 66 2.681 5.083 -0.118 1.00 0.00 N ATOM 960 CA TYR A 66 2.190 5.356 -1.467 1.00 0.00 C ATOM 961 C TYR A 66 0.718 5.741 -1.341 1.00 0.00 C ATOM 962 O TYR A 66 0.081 5.368 -0.357 1.00 0.00 O ATOM 963 CB TYR A 66 2.335 4.098 -2.348 1.00 0.00 C ATOM 964 CG TYR A 66 3.778 3.732 -2.680 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.212 3.649 -4.002 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.710 3.484 -1.677 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.522 3.329 -4.310 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.021 3.166 -1.981 1.00 0.00 C ATOM 969 CZ TYR A 66 6.419 3.092 -3.296 1.00 0.00 C ATOM 970 OH TYR A 66 7.726 2.775 -3.596 1.00 0.00 O ATOM 0 H TYR A 66 2.154 4.356 0.366 1.00 0.00 H new ATOM 0 HA TYR A 66 2.762 6.159 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.866 3.256 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.788 4.254 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.511 3.838 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.404 3.541 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.838 3.266 -5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.730 2.976 -1.189 1.00 0.00 H new ATOM 0 HH TYR A 66 8.229 2.639 -2.766 1.00 0.00 H new ATOM 980 N TYR A 67 0.154 6.457 -2.306 1.00 0.00 N ATOM 981 CA TYR A 67 -1.219 6.937 -2.139 1.00 0.00 C ATOM 982 C TYR A 67 -2.078 6.708 -3.382 1.00 0.00 C ATOM 983 O TYR A 67 -1.630 6.924 -4.510 1.00 0.00 O ATOM 984 CB TYR A 67 -1.251 8.418 -1.708 1.00 0.00 C ATOM 985 CG TYR A 67 -0.394 9.362 -2.536 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.892 9.705 -2.124 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.874 9.927 -3.713 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.672 10.577 -2.864 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.098 10.798 -4.458 1.00 0.00 C ATOM 990 CZ TYR A 67 1.171 11.120 -4.029 1.00 0.00 C ATOM 991 OH TYR A 67 1.941 11.994 -4.765 1.00 0.00 O ATOM 0 H TYR A 67 0.604 6.713 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.657 6.341 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.283 8.766 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.930 8.482 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.287 9.283 -1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.870 9.682 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.668 10.831 -2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.486 11.223 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 67 1.441 12.284 -5.557 1.00 0.00 H new ATOM 1001 N THR A 68 -3.312 6.248 -3.158 1.00 0.00 N ATOM 1002 CA THR A 68 -4.267 6.005 -4.235 1.00 0.00 C ATOM 1003 C THR A 68 -5.674 6.419 -3.786 1.00 0.00 C ATOM 1004 O THR A 68 -6.030 6.271 -2.609 1.00 0.00 O ATOM 1005 CB THR A 68 -4.270 4.513 -4.676 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.749 4.402 -6.015 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.147 3.647 -3.787 1.00 0.00 C ATOM 0 H THR A 68 -3.673 6.035 -2.228 1.00 0.00 H new ATOM 0 HA THR A 68 -3.963 6.605 -5.093 1.00 0.00 H new ATOM 0 HB THR A 68 -3.241 4.161 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.672 5.270 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.114 2.615 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.783 3.693 -2.761 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.174 4.010 -3.824 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.443 6.988 -4.709 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.843 7.346 -4.450 1.00 0.00 C ATOM 1017 C GLU A 69 -8.691 6.085 -4.255 1.00 0.00 C ATOM 1018 O GLU A 69 -8.573 5.136 -5.035 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.427 8.141 -5.637 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.860 8.607 -5.419 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.526 9.037 -6.707 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -11.182 8.189 -7.348 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.392 10.215 -7.092 1.00 0.00 O ATOM 0 H GLU A 69 -6.122 7.214 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.867 7.955 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.797 9.010 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.389 7.520 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.437 7.801 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.866 9.438 -4.714 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.549 6.065 -3.236 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.439 4.927 -3.040 1.00 0.00 C ATOM 1032 C PHE A 70 -11.873 5.368 -2.794 1.00 0.00 C ATOM 1033 O PHE A 70 -12.124 6.518 -2.447 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.940 4.035 -1.888 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.149 4.548 -0.476 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.085 4.600 0.404 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.396 4.943 -0.021 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.264 5.035 1.707 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.576 5.383 1.271 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.514 5.426 2.136 1.00 0.00 C ATOM 0 H PHE A 70 -9.645 6.810 -2.546 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.429 4.344 -3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.433 3.066 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.873 3.863 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.103 4.298 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.242 4.905 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.425 5.068 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.555 5.695 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.656 5.765 3.151 1.00 0.00 H new ATOM 1050 N THR A 71 -12.803 4.456 -3.030 1.00 0.00 N ATOM 1051 CA THR A 71 -14.172 4.604 -2.569 1.00 0.00 C ATOM 1052 C THR A 71 -14.706 3.245 -2.096 1.00 0.00 C ATOM 1053 O THR A 71 -14.959 2.364 -2.922 1.00 0.00 O ATOM 1054 CB THR A 71 -15.056 5.172 -3.701 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.502 6.414 -4.158 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.484 5.391 -3.226 1.00 0.00 C ATOM 0 H THR A 71 -12.629 3.594 -3.546 1.00 0.00 H new ATOM 0 HA THR A 71 -14.197 5.302 -1.732 1.00 0.00 H new ATOM 0 HB THR A 71 -15.078 4.451 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.060 6.776 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.082 5.791 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.908 4.442 -2.897 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.487 6.097 -2.395 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.876 3.034 -0.763 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.234 1.718 -0.241 1.00 0.00 C ATOM 1066 C PRO A 72 -16.662 1.320 -0.536 1.00 0.00 C ATOM 1067 O PRO A 72 -17.588 2.139 -0.544 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.017 1.806 1.275 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.712 3.243 1.598 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.747 4.044 0.317 1.00 0.00 C ATOM 0 HA PRO A 72 -14.621 0.954 -0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.905 1.471 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.196 1.159 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.441 3.634 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.732 3.325 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.586 4.740 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.840 4.637 0.197 1.00 0.00 H new ATOM 1078 N THR A 73 -16.803 0.038 -0.772 1.00 0.00 N ATOM 1079 CA THR A 73 -18.074 -0.604 -0.998 1.00 0.00 C ATOM 1080 C THR A 73 -18.113 -1.845 -0.120 1.00 0.00 C ATOM 1081 O THR A 73 -17.063 -2.350 0.281 1.00 0.00 O ATOM 1082 CB THR A 73 -18.236 -1.009 -2.484 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.187 -1.910 -2.862 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.205 0.216 -3.389 1.00 0.00 C ATOM 0 H THR A 73 -16.013 -0.606 -0.813 1.00 0.00 H new ATOM 0 HA THR A 73 -18.887 0.080 -0.754 1.00 0.00 H new ATOM 0 HB THR A 73 -19.202 -1.502 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.296 -2.163 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.321 -0.096 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.019 0.888 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.253 0.733 -3.269 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.303 -2.318 0.203 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.467 -3.533 0.995 1.00 0.00 C ATOM 1094 C GLU A 74 -18.840 -4.763 0.296 1.00 0.00 C ATOM 1095 O GLU A 74 -18.801 -5.857 0.855 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.979 -3.726 1.284 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.411 -5.138 1.642 1.00 0.00 C ATOM 1098 CD GLU A 74 -22.793 -5.452 1.125 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.727 -4.667 1.391 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.949 -6.481 0.437 1.00 0.00 O ATOM 0 H GLU A 74 -20.181 -1.877 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.933 -3.432 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.261 -3.062 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.541 -3.406 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.698 -5.851 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.392 -5.260 2.725 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.336 -4.586 -0.921 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.792 -5.706 -1.676 1.00 0.00 C ATOM 1109 C LYS A 75 -16.275 -5.643 -1.945 1.00 0.00 C ATOM 1110 O LYS A 75 -15.674 -6.685 -2.203 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.546 -5.860 -3.000 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.031 -6.225 -2.870 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.268 -7.715 -2.582 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.978 -8.114 -1.136 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.554 -8.488 -0.906 1.00 0.00 N ATOM 0 H LYS A 75 -18.293 -3.687 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.937 -6.577 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.466 -4.926 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.051 -6.628 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.475 -5.632 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.547 -5.954 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.303 -7.961 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.640 -8.309 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.241 -7.286 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.617 -8.954 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.486 -9.514 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.988 -8.227 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.194 -7.985 -0.070 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.649 -4.465 -1.935 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.250 -4.374 -2.363 1.00 0.00 C ATOM 1131 C ASP A 76 -13.268 -4.352 -1.180 1.00 0.00 C ATOM 1132 O ASP A 76 -13.432 -3.597 -0.217 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.033 -3.143 -3.254 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.650 -3.097 -3.859 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.018 -2.021 -3.819 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -12.220 -4.126 -4.428 1.00 0.00 O ATOM 0 H ASP A 76 -16.072 -3.584 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.041 -5.276 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.775 -3.143 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.198 -2.240 -2.666 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.254 -5.201 -1.295 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.186 -5.365 -0.308 1.00 0.00 C ATOM 1143 C GLU A 77 -9.921 -4.657 -0.812 1.00 0.00 C ATOM 1144 O GLU A 77 -9.616 -4.715 -2.004 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.984 -6.884 -0.136 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.803 -7.357 0.695 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.510 -7.467 -0.087 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.273 -8.541 -0.677 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.723 -6.514 -0.097 1.00 0.00 O ATOM 0 H GLU A 77 -12.146 -5.815 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.430 -4.919 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.891 -7.293 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.891 -7.323 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.656 -6.668 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.040 -8.330 1.126 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.201 -3.983 0.082 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.003 -3.227 -0.307 1.00 0.00 C ATOM 1158 C TYR A 78 -6.744 -3.812 0.335 1.00 0.00 C ATOM 1159 O TYR A 78 -6.691 -4.010 1.553 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.141 -1.752 0.086 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.187 -0.994 -0.693 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.538 -1.164 -0.428 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.820 -0.086 -1.676 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.494 -0.452 -1.122 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.772 0.624 -2.375 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.104 0.441 -2.092 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.051 1.161 -2.779 1.00 0.00 O ATOM 0 H TYR A 78 -9.421 -3.942 1.077 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.908 -3.302 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.382 -1.693 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.177 -1.261 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.846 -1.865 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.774 0.066 -1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.542 -0.595 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.472 1.322 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.609 1.747 -3.428 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.728 -4.064 -0.490 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.502 -4.717 -0.043 1.00 0.00 C ATOM 1179 C ALA A 79 -3.262 -3.953 -0.511 1.00 0.00 C ATOM 1180 O ALA A 79 -3.347 -3.126 -1.413 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.464 -6.136 -0.585 1.00 0.00 C ATOM 0 H ALA A 79 -5.733 -3.822 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.497 -4.732 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.549 -6.628 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.328 -6.689 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.488 -6.110 -1.674 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.113 -4.208 0.115 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.852 -3.653 -0.371 1.00 0.00 C ATOM 1189 C CYS A 80 0.203 -4.755 -0.524 1.00 0.00 C ATOM 1190 O CYS A 80 0.425 -5.545 0.393 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.350 -2.552 0.555 1.00 0.00 C ATOM 1192 SG CYS A 80 1.299 -1.915 0.115 1.00 0.00 S ATOM 0 H CYS A 80 -2.030 -4.788 0.950 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.032 -3.214 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.063 -1.727 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.321 -2.934 1.576 1.00 0.00 H new ATOM 1197 N ARG A 81 0.816 -4.818 -1.701 1.00 0.00 N ATOM 1198 CA ARG A 81 1.775 -5.874 -2.056 1.00 0.00 C ATOM 1199 C ARG A 81 3.210 -5.347 -1.983 1.00 0.00 C ATOM 1200 O ARG A 81 3.501 -4.302 -2.555 1.00 0.00 O ATOM 1201 CB ARG A 81 1.471 -6.306 -3.490 1.00 0.00 C ATOM 1202 CG ARG A 81 2.086 -7.630 -3.947 1.00 0.00 C ATOM 1203 CD ARG A 81 1.523 -8.029 -5.317 1.00 0.00 C ATOM 1204 NE ARG A 81 1.808 -6.980 -6.299 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.348 -6.946 -7.546 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.522 -7.884 -7.994 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.713 -5.951 -8.346 1.00 0.00 N ATOM 0 H ARG A 81 0.665 -4.136 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 81 1.683 -6.709 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.389 -6.375 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.813 -5.520 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.170 -7.535 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.873 -8.410 -3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.965 -8.972 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.447 -8.189 -5.245 1.00 0.00 H new ATOM 0 HE ARG A 81 2.409 -6.212 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.232 -8.644 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.177 -7.844 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.340 -5.224 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.367 -5.914 -9.305 1.00 0.00 H new ATOM 1221 N VAL A 82 4.104 -6.058 -1.296 1.00 0.00 N ATOM 1222 CA VAL A 82 5.501 -5.618 -1.224 1.00 0.00 C ATOM 1223 C VAL A 82 6.467 -6.775 -1.469 1.00 0.00 C ATOM 1224 O VAL A 82 6.253 -7.898 -1.001 1.00 0.00 O ATOM 1225 CB VAL A 82 5.842 -4.912 0.121 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.269 -5.901 1.197 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.916 -3.856 -0.089 1.00 0.00 C ATOM 0 H VAL A 82 3.896 -6.920 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 82 5.624 -4.883 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 82 4.931 -4.427 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.497 -5.362 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.461 -6.609 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.155 -6.441 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.142 -3.373 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.818 -4.327 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.559 -3.110 -0.799 1.00 0.00 H new ATOM 1237 N ASN A 83 7.503 -6.488 -2.244 1.00 0.00 N ATOM 1238 CA ASN A 83 8.555 -7.463 -2.520 1.00 0.00 C ATOM 1239 C ASN A 83 9.935 -6.832 -2.430 1.00 0.00 C ATOM 1240 O ASN A 83 10.128 -5.665 -2.779 1.00 0.00 O ATOM 1241 CB ASN A 83 8.359 -8.099 -3.902 1.00 0.00 C ATOM 1242 CG ASN A 83 9.224 -9.336 -4.097 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.560 -10.028 -3.136 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.576 -9.628 -5.341 1.00 0.00 N ATOM 0 H ASN A 83 7.640 -5.584 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 83 8.485 -8.241 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.310 -8.368 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.597 -7.367 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.146 -10.452 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.277 -9.028 -6.110 1.00 0.00 H new ATOM 1251 N HIS A 84 10.882 -7.620 -1.938 1.00 0.00 N ATOM 1252 CA HIS A 84 12.278 -7.223 -1.865 1.00 0.00 C ATOM 1253 C HIS A 84 13.131 -8.401 -2.324 1.00 0.00 C ATOM 1254 O HIS A 84 12.665 -9.541 -2.322 1.00 0.00 O ATOM 1255 CB HIS A 84 12.651 -6.814 -0.428 1.00 0.00 C ATOM 1256 CG HIS A 84 13.992 -6.154 -0.307 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.153 -6.887 -0.227 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.298 -4.838 -0.266 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.134 -6.004 -0.148 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.663 -4.748 -0.165 1.00 0.00 N ATOM 0 H HIS A 84 10.700 -8.557 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 84 12.454 -6.361 -2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.888 -6.136 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.636 -7.701 0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.601 -4.014 -0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.181 -6.261 -0.079 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.214 -3.891 -0.113 1.00 0.00 H new ATOM 1268 N VAL A 85 14.370 -8.121 -2.711 1.00 0.00 N ATOM 1269 CA VAL A 85 15.288 -9.154 -3.205 1.00 0.00 C ATOM 1270 C VAL A 85 15.523 -10.257 -2.161 1.00 0.00 C ATOM 1271 O VAL A 85 15.971 -11.354 -2.496 1.00 0.00 O ATOM 1272 CB VAL A 85 16.651 -8.549 -3.629 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.547 -9.595 -4.289 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.445 -7.361 -4.556 1.00 0.00 C ATOM 0 H VAL A 85 14.769 -7.182 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 85 14.810 -9.597 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 85 17.154 -8.203 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.494 -9.136 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.734 -10.408 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.053 -9.988 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.413 -6.951 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.910 -7.685 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.864 -6.595 -4.042 1.00 0.00 H new ATOM 1284 N THR A 86 15.205 -9.981 -0.901 1.00 0.00 N ATOM 1285 CA THR A 86 15.381 -10.981 0.149 1.00 0.00 C ATOM 1286 C THR A 86 14.228 -11.992 0.130 1.00 0.00 C ATOM 1287 O THR A 86 14.465 -13.203 0.130 1.00 0.00 O ATOM 1288 CB THR A 86 15.527 -10.337 1.557 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.571 -11.347 2.573 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.391 -9.365 1.858 1.00 0.00 C ATOM 0 H THR A 86 14.829 -9.087 -0.583 1.00 0.00 H new ATOM 0 HA THR A 86 16.313 -11.507 -0.059 1.00 0.00 H new ATOM 0 HB THR A 86 16.463 -9.779 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.665 -10.923 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.531 -8.938 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.389 -8.566 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.439 -9.895 1.822 1.00 0.00 H new ATOM 1298 N LEU A 87 12.989 -11.498 0.123 1.00 0.00 N ATOM 1299 CA LEU A 87 11.817 -12.368 -0.015 1.00 0.00 C ATOM 1300 C LEU A 87 11.883 -13.168 -1.320 1.00 0.00 C ATOM 1301 O LEU A 87 12.534 -12.759 -2.283 1.00 0.00 O ATOM 1302 CB LEU A 87 10.513 -11.555 -0.011 1.00 0.00 C ATOM 1303 CG LEU A 87 10.324 -10.572 1.148 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.172 -9.636 0.840 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.067 -11.313 2.457 1.00 0.00 C ATOM 0 H LEU A 87 12.770 -10.506 0.211 1.00 0.00 H new ATOM 0 HA LEU A 87 11.824 -13.046 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.457 -10.996 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.676 -12.253 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 87 11.239 -9.992 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.040 -8.938 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.388 -9.081 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.259 -10.215 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.936 -10.592 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.165 -11.918 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.915 -11.959 2.682 1.00 0.00 H new ATOM 1317 N SER A 88 11.212 -14.308 -1.338 1.00 0.00 N ATOM 1318 CA SER A 88 11.097 -15.125 -2.543 1.00 0.00 C ATOM 1319 C SER A 88 9.636 -15.138 -3.012 1.00 0.00 C ATOM 1320 O SER A 88 9.251 -15.916 -3.890 1.00 0.00 O ATOM 1321 CB SER A 88 11.582 -16.548 -2.257 1.00 0.00 C ATOM 1322 OG SER A 88 11.523 -17.356 -3.421 1.00 0.00 O ATOM 0 H SER A 88 10.733 -14.695 -0.525 1.00 0.00 H new ATOM 0 HA SER A 88 11.719 -14.702 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.606 -16.518 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.970 -16.992 -1.472 1.00 0.00 H new ATOM 0 HG SER A 88 10.775 -17.065 -3.983 1.00 0.00 H new ATOM 1328 N GLN A 89 8.835 -14.262 -2.408 1.00 0.00 N ATOM 1329 CA GLN A 89 7.418 -14.153 -2.696 1.00 0.00 C ATOM 1330 C GLN A 89 6.869 -12.889 -2.020 1.00 0.00 C ATOM 1331 O GLN A 89 6.992 -12.748 -0.801 1.00 0.00 O ATOM 1332 CB GLN A 89 6.669 -15.403 -2.198 1.00 0.00 C ATOM 1333 CG GLN A 89 6.869 -15.726 -0.717 1.00 0.00 C ATOM 1334 CD GLN A 89 6.052 -16.923 -0.270 1.00 0.00 C ATOM 1335 OE1 GLN A 89 4.976 -17.189 -0.803 1.00 0.00 O ATOM 1336 NE2 GLN A 89 6.552 -17.647 0.715 1.00 0.00 N ATOM 0 H GLN A 89 9.161 -13.605 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 89 7.269 -14.082 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.604 -15.269 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.991 -16.261 -2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.925 -15.920 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.594 -14.858 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.448 -17.393 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.042 -18.460 1.060 1.00 0.00 H new ATOM 1345 N PRO A 90 6.295 -11.925 -2.774 1.00 0.00 N ATOM 1346 CA PRO A 90 5.741 -10.717 -2.159 1.00 0.00 C ATOM 1347 C PRO A 90 4.548 -11.021 -1.276 1.00 0.00 C ATOM 1348 O PRO A 90 3.858 -12.027 -1.460 1.00 0.00 O ATOM 1349 CB PRO A 90 5.312 -9.835 -3.320 1.00 0.00 C ATOM 1350 CG PRO A 90 5.207 -10.745 -4.502 1.00 0.00 C ATOM 1351 CD PRO A 90 6.161 -11.914 -4.247 1.00 0.00 C ATOM 0 HA PRO A 90 6.481 -10.241 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.358 -9.351 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.039 -9.043 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.184 -11.101 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.475 -10.220 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.755 -12.854 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.123 -11.764 -4.738 1.00 0.00 H new ATOM 1359 N LYS A 91 4.296 -10.143 -0.328 1.00 0.00 N ATOM 1360 CA LYS A 91 3.222 -10.354 0.621 1.00 0.00 C ATOM 1361 C LYS A 91 2.090 -9.365 0.365 1.00 0.00 C ATOM 1362 O LYS A 91 2.316 -8.239 -0.076 1.00 0.00 O ATOM 1363 CB LYS A 91 3.732 -10.206 2.068 1.00 0.00 C ATOM 1364 CG LYS A 91 5.022 -10.990 2.376 1.00 0.00 C ATOM 1365 CD LYS A 91 5.767 -10.496 3.621 1.00 0.00 C ATOM 1366 CE LYS A 91 5.259 -11.149 4.899 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.484 -12.619 4.905 1.00 0.00 N ATOM 0 H LYS A 91 4.819 -9.278 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 91 2.846 -11.369 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.907 -9.150 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.949 -10.537 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.773 -12.043 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.689 -10.925 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.832 -10.702 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.658 -9.414 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.761 -10.703 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.194 -10.945 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.532 -12.959 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.700 -13.092 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.378 -12.835 4.420 1.00 0.00 H new ATOM 1381 N ILE A 92 0.879 -9.822 0.623 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.296 -8.967 0.536 1.00 0.00 C ATOM 1383 C ILE A 92 -0.835 -8.680 1.930 1.00 0.00 C ATOM 1384 O ILE A 92 -0.993 -9.586 2.753 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.421 -9.544 -0.388 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.411 -8.858 -1.761 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.801 -9.392 0.228 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.188 -7.374 -1.680 1.00 0.00 C ATOM 0 H ILE A 92 0.680 -10.784 0.896 1.00 0.00 H new ATOM 0 HA ILE A 92 0.026 -8.037 0.068 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.208 -10.606 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.629 -9.303 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.360 -9.049 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.549 -9.806 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.836 -9.925 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.010 -8.336 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.192 -6.950 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.983 -6.918 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.226 -7.176 -1.206 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.082 -7.411 2.195 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.684 -6.986 3.442 1.00 0.00 C ATOM 1402 C VAL A 93 -3.029 -6.356 3.144 1.00 0.00 C ATOM 1403 O VAL A 93 -3.109 -5.382 2.400 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.796 -5.975 4.201 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.465 -4.761 3.348 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.466 -5.546 5.496 1.00 0.00 C ATOM 0 H VAL A 93 -0.871 -6.648 1.552 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.800 -7.862 4.080 1.00 0.00 H new ATOM 0 HB VAL A 93 0.143 -6.477 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.161 -4.075 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.069 -5.080 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.387 -4.256 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.827 -4.834 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.424 -5.077 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.628 -6.419 6.128 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.085 -6.908 3.698 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.406 -6.417 3.383 1.00 0.00 C ATOM 1418 C LYS A 94 -5.991 -5.682 4.577 1.00 0.00 C ATOM 1419 O LYS A 94 -5.793 -6.081 5.728 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.312 -7.560 2.952 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.684 -8.463 1.915 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.309 -9.848 1.943 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.976 -10.608 3.218 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.642 -11.938 3.251 1.00 0.00 N ATOM 0 H LYS A 94 -4.057 -7.685 4.358 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.330 -5.716 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.578 -8.153 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.239 -7.149 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.808 -8.025 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.612 -8.541 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.391 -9.757 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.961 -10.418 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.896 -10.739 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.287 -10.023 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.393 -12.429 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.673 -11.811 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.326 -12.505 2.439 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.707 -4.616 4.293 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.242 -3.740 5.334 1.00 0.00 C ATOM 1440 C TRP A 95 -8.499 -4.360 5.954 1.00 0.00 C ATOM 1441 O TRP A 95 -9.447 -4.715 5.248 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.516 -2.338 4.740 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.062 -1.310 5.703 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.577 -0.986 6.944 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.182 -0.431 5.474 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.341 -0.005 7.510 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.335 0.355 6.636 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.080 -0.240 4.409 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.344 1.306 6.768 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.075 0.708 4.538 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.208 1.467 5.706 1.00 0.00 C ATOM 0 H TRP A 95 -6.938 -4.326 3.343 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.511 -3.627 6.135 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.587 -1.955 4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.220 -2.445 3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.714 -1.441 7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.195 0.396 8.436 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.993 -0.825 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.446 1.895 7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.764 0.867 3.722 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.004 2.194 5.777 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.486 -4.501 7.281 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.558 -5.187 8.005 1.00 0.00 C ATOM 1464 C ASP A 96 -10.838 -4.348 8.008 1.00 0.00 C ATOM 1465 O ASP A 96 -10.948 -3.349 8.719 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.115 -5.564 9.434 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.742 -4.380 10.298 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -7.782 -3.658 9.951 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -9.379 -4.195 11.357 1.00 0.00 O ATOM 0 H ASP A 96 -7.740 -4.147 7.879 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.778 -6.118 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.921 -6.115 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.261 -6.238 9.372 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.799 -4.773 7.182 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.067 -4.066 7.012 1.00 0.00 C ATOM 1476 C ARG A 97 -13.962 -4.817 6.029 1.00 0.00 C ATOM 1477 O ARG A 97 -15.171 -4.608 5.995 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.808 -2.633 6.515 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.336 -2.549 5.063 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.473 -2.213 4.077 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.790 -2.133 4.709 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.939 -2.309 4.051 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -15.925 -2.582 2.751 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.093 -2.216 4.698 1.00 0.00 N ATOM 0 H ARG A 97 -11.718 -5.616 6.614 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.576 -4.016 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.724 -2.052 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.059 -2.168 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.558 -1.790 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.885 -3.499 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.253 -1.262 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.500 -2.971 3.294 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.833 -1.932 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.037 -2.657 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.802 -2.716 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.102 -2.010 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.971 -2.350 4.197 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.363 -5.724 5.273 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.065 -6.431 4.197 1.00 0.00 C ATOM 1500 C ASP A 98 -13.280 -7.669 3.745 1.00 0.00 C ATOM 1501 O ASP A 98 -13.768 -8.460 2.939 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.289 -5.502 3.006 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.187 -6.122 1.952 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.724 -6.340 0.819 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.361 -6.404 2.263 1.00 0.00 O ATOM 0 H ASP A 98 -12.385 -5.994 5.381 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.030 -6.755 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.732 -4.569 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.327 -5.251 2.558 1.00 0.00 H new ATOM 1510 N MET A 99 -12.075 -7.842 4.292 1.00 0.00 N ATOM 1511 CA MET A 99 -11.219 -8.983 3.954 1.00 0.00 C ATOM 1512 C MET A 99 -11.964 -10.299 4.155 1.00 0.00 C ATOM 1513 CB MET A 99 -9.917 -9.005 4.784 1.00 0.00 C ATOM 1514 CG MET A 99 -9.876 -8.039 5.989 1.00 0.00 C ATOM 1515 SD MET A 99 -11.305 -8.148 7.083 1.00 0.00 S ATOM 1516 CE MET A 99 -10.974 -9.705 7.908 1.00 0.00 C ATOM 0 H MET A 99 -11.667 -7.203 4.975 1.00 0.00 H new ATOM 0 HA MET A 99 -10.952 -8.868 2.904 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.757 -10.020 5.149 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.083 -8.769 4.124 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.975 -8.239 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.796 -7.018 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.771 -9.916 8.621 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.926 -10.505 7.169 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.023 -9.642 8.436 1.00 0.00 H new