USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 520 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 30 MET CE :methyl -130:sc= -0.296 (180deg=-1.21) USER MOD Set 1.2: A 41 HIS : no HE2:sc= -0.285 X(o=-0.58,f=-0.51) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0819 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -1:sc= 1.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.346 K(o=-0.35,f=-1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.44) USER MOD Single : A 25 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.8!) USER MOD Single : A 26 ASN : amide:sc= -0.106 K(o=-0.11,f=-2!) USER MOD Single : A 27 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD Single : A 32 CYS SG : rot 34:sc= 0.109 USER MOD Single : A 48 SER OG : rot 180:sc= 0.233 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.481 F(o=-1.8,f=-0.48) USER MOD Single : A 62 TYR OH : rot -177:sc= -2.34! USER MOD Single : A 66 ASN : amide:sc= -3.3 X(o=-3.3,f=-3.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.856 23.780 -3.888 1.00 0.00 N ATOM 2 CA GLY A 1 30.504 23.337 -4.175 1.00 0.00 C ATOM 3 C GLY A 1 29.535 23.673 -3.059 1.00 0.00 C ATOM 4 O GLY A 1 29.911 24.302 -2.069 1.00 0.00 O ATOM 0 H1 GLY A 1 32.225 24.315 -4.699 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.850 24.389 -3.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.463 22.953 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.162 23.800 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.505 22.259 -4.339 1.00 0.00 H new ATOM 8 N SER A 2 28.283 23.256 -3.218 1.00 0.00 N ATOM 9 CA SER A 2 27.255 23.521 -2.218 1.00 0.00 C ATOM 10 C SER A 2 26.853 22.237 -1.499 1.00 0.00 C ATOM 11 O SER A 2 27.189 21.137 -1.935 1.00 0.00 O ATOM 12 CB SER A 2 26.028 24.158 -2.874 1.00 0.00 C ATOM 13 OG SER A 2 25.289 23.199 -3.610 1.00 0.00 O ATOM 0 H SER A 2 27.956 22.733 -4.030 1.00 0.00 H new ATOM 0 HA SER A 2 27.666 24.214 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.392 24.603 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.343 24.965 -3.535 1.00 0.00 H new ATOM 0 HG SER A 2 24.509 23.630 -4.018 1.00 0.00 H new ATOM 19 N SER A 3 26.131 22.388 -0.393 1.00 0.00 N ATOM 20 CA SER A 3 25.686 21.241 0.391 1.00 0.00 C ATOM 21 C SER A 3 24.526 21.626 1.304 1.00 0.00 C ATOM 22 O SER A 3 24.179 22.800 1.426 1.00 0.00 O ATOM 23 CB SER A 3 26.842 20.686 1.224 1.00 0.00 C ATOM 24 OG SER A 3 27.794 20.031 0.402 1.00 0.00 O ATOM 0 H SER A 3 25.842 23.292 -0.020 1.00 0.00 H new ATOM 0 HA SER A 3 25.343 20.471 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.324 21.498 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.457 19.988 1.967 1.00 0.00 H new ATOM 0 HG SER A 3 27.492 20.053 -0.530 1.00 0.00 H new ATOM 30 N GLY A 4 23.928 20.625 1.944 1.00 0.00 N ATOM 31 CA GLY A 4 22.812 20.877 2.838 1.00 0.00 C ATOM 32 C GLY A 4 21.506 20.322 2.306 1.00 0.00 C ATOM 33 O GLY A 4 21.346 19.109 2.176 1.00 0.00 O ATOM 0 H GLY A 4 24.196 19.645 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.022 20.433 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.710 21.951 2.993 1.00 0.00 H new ATOM 37 N SER A 5 20.568 21.213 1.998 1.00 0.00 N ATOM 38 CA SER A 5 19.267 20.805 1.483 1.00 0.00 C ATOM 39 C SER A 5 18.599 19.805 2.422 1.00 0.00 C ATOM 40 O SER A 5 18.008 18.820 1.980 1.00 0.00 O ATOM 41 CB SER A 5 19.416 20.191 0.089 1.00 0.00 C ATOM 42 OG SER A 5 19.453 21.196 -0.909 1.00 0.00 O ATOM 0 H SER A 5 20.685 22.221 2.096 1.00 0.00 H new ATOM 0 HA SER A 5 18.637 21.692 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.329 19.597 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.585 19.513 -0.104 1.00 0.00 H new ATOM 0 HG SER A 5 19.550 20.778 -1.790 1.00 0.00 H new ATOM 48 N SER A 6 18.699 20.067 3.721 1.00 0.00 N ATOM 49 CA SER A 6 18.108 19.189 4.725 1.00 0.00 C ATOM 50 C SER A 6 16.845 19.809 5.313 1.00 0.00 C ATOM 51 O SER A 6 16.845 20.964 5.735 1.00 0.00 O ATOM 52 CB SER A 6 19.117 18.903 5.840 1.00 0.00 C ATOM 53 OG SER A 6 20.013 17.872 5.464 1.00 0.00 O ATOM 0 H SER A 6 19.183 20.879 4.103 1.00 0.00 H new ATOM 0 HA SER A 6 17.839 18.251 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.677 19.810 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.588 18.616 6.749 1.00 0.00 H new ATOM 0 HG SER A 6 20.648 17.709 6.192 1.00 0.00 H new ATOM 59 N GLY A 7 15.767 19.030 5.338 1.00 0.00 N ATOM 60 CA GLY A 7 14.511 19.519 5.876 1.00 0.00 C ATOM 61 C GLY A 7 13.583 18.395 6.294 1.00 0.00 C ATOM 62 O GLY A 7 13.745 17.255 5.862 1.00 0.00 O ATOM 0 H GLY A 7 15.742 18.070 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.712 20.159 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.015 20.137 5.128 1.00 0.00 H new ATOM 66 N GLU A 8 12.609 18.718 7.140 1.00 0.00 N ATOM 67 CA GLU A 8 11.654 17.725 7.618 1.00 0.00 C ATOM 68 C GLU A 8 10.259 18.001 7.063 1.00 0.00 C ATOM 69 O GLU A 8 9.911 19.145 6.770 1.00 0.00 O ATOM 70 CB GLU A 8 11.614 17.718 9.148 1.00 0.00 C ATOM 71 CG GLU A 8 10.957 18.951 9.745 1.00 0.00 C ATOM 72 CD GLU A 8 11.500 19.294 11.118 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.612 19.859 11.192 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.815 18.998 12.119 1.00 0.00 O ATOM 0 H GLU A 8 12.461 19.658 7.508 1.00 0.00 H new ATOM 0 HA GLU A 8 11.980 16.746 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.077 16.831 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.632 17.638 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.108 19.798 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.882 18.788 9.814 1.00 0.00 H new ATOM 81 N CYS A 9 9.466 16.945 6.922 1.00 0.00 N ATOM 82 CA CYS A 9 8.109 17.072 6.402 1.00 0.00 C ATOM 83 C CYS A 9 7.091 16.528 7.399 1.00 0.00 C ATOM 84 O CYS A 9 7.057 15.328 7.672 1.00 0.00 O ATOM 85 CB CYS A 9 7.981 16.333 5.069 1.00 0.00 C ATOM 86 SG CYS A 9 6.664 16.959 4.001 1.00 0.00 S ATOM 0 H CYS A 9 9.739 15.992 7.160 1.00 0.00 H new ATOM 0 HA CYS A 9 7.904 18.131 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.929 16.401 4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.802 15.276 5.267 1.00 0.00 H new ATOM 0 HG CYS A 9 6.637 16.272 2.898 1.00 0.00 H new ATOM 92 N GLU A 10 6.265 17.418 7.939 1.00 0.00 N ATOM 93 CA GLU A 10 5.248 17.027 8.908 1.00 0.00 C ATOM 94 C GLU A 10 3.968 17.832 8.707 1.00 0.00 C ATOM 95 O GLU A 10 3.987 18.917 8.126 1.00 0.00 O ATOM 96 CB GLU A 10 5.768 17.222 10.333 1.00 0.00 C ATOM 97 CG GLU A 10 5.092 16.325 11.356 1.00 0.00 C ATOM 98 CD GLU A 10 5.455 14.864 11.182 1.00 0.00 C ATOM 99 OE1 GLU A 10 6.665 14.557 11.127 1.00 0.00 O ATOM 100 OE2 GLU A 10 4.532 14.027 11.101 1.00 0.00 O ATOM 0 H GLU A 10 6.280 18.415 7.722 1.00 0.00 H new ATOM 0 HA GLU A 10 5.021 15.972 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.841 17.032 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.625 18.263 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.373 16.648 12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.011 16.439 11.275 1.00 0.00 H new ATOM 107 N VAL A 11 2.854 17.291 9.192 1.00 0.00 N ATOM 108 CA VAL A 11 1.563 17.958 9.067 1.00 0.00 C ATOM 109 C VAL A 11 1.399 19.040 10.128 1.00 0.00 C ATOM 110 O VAL A 11 0.705 18.844 11.127 1.00 0.00 O ATOM 111 CB VAL A 11 0.400 16.956 9.186 1.00 0.00 C ATOM 112 CG1 VAL A 11 0.281 16.122 7.919 1.00 0.00 C ATOM 113 CG2 VAL A 11 0.588 16.065 10.405 1.00 0.00 C ATOM 0 H VAL A 11 2.820 16.393 9.675 1.00 0.00 H new ATOM 0 HA VAL A 11 1.537 18.416 8.078 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.527 17.515 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.546 15.420 8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.097 16.778 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.207 15.570 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.243 15.363 10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.523 15.513 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.619 16.680 11.304 1.00 0.00 H new ATOM 123 N TYR A 12 2.040 20.182 9.906 1.00 0.00 N ATOM 124 CA TYR A 12 1.966 21.295 10.844 1.00 0.00 C ATOM 125 C TYR A 12 0.592 21.955 10.800 1.00 0.00 C ATOM 126 O TYR A 12 -0.054 22.140 11.832 1.00 0.00 O ATOM 127 CB TYR A 12 3.050 22.327 10.529 1.00 0.00 C ATOM 128 CG TYR A 12 4.410 21.965 11.082 1.00 0.00 C ATOM 129 CD1 TYR A 12 5.191 20.989 10.476 1.00 0.00 C ATOM 130 CD2 TYR A 12 4.914 22.601 12.211 1.00 0.00 C ATOM 131 CE1 TYR A 12 6.434 20.655 10.979 1.00 0.00 C ATOM 132 CE2 TYR A 12 6.157 22.274 12.719 1.00 0.00 C ATOM 133 CZ TYR A 12 6.912 21.300 12.100 1.00 0.00 C ATOM 134 OH TYR A 12 8.150 20.971 12.603 1.00 0.00 O ATOM 0 H TYR A 12 2.617 20.361 9.084 1.00 0.00 H new ATOM 0 HA TYR A 12 2.128 20.902 11.848 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.126 22.443 9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.748 23.293 10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.820 20.483 9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.324 23.363 12.699 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.028 19.893 10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.535 22.778 13.596 1.00 0.00 H new ATOM 0 HH TYR A 12 8.338 21.518 13.394 1.00 0.00 H new ATOM 144 N ASP A 13 0.150 22.307 9.598 1.00 0.00 N ATOM 145 CA ASP A 13 -1.149 22.944 9.416 1.00 0.00 C ATOM 146 C ASP A 13 -2.211 22.269 10.278 1.00 0.00 C ATOM 147 O ASP A 13 -2.705 21.186 9.962 1.00 0.00 O ATOM 148 CB ASP A 13 -1.563 22.898 7.945 1.00 0.00 C ATOM 149 CG ASP A 13 -0.466 23.388 7.019 1.00 0.00 C ATOM 150 OD1 ASP A 13 -0.106 24.581 7.105 1.00 0.00 O ATOM 151 OD2 ASP A 13 0.032 22.579 6.209 1.00 0.00 O ATOM 0 H ASP A 13 0.673 22.162 8.734 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.062 23.985 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.830 21.876 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.455 23.508 7.802 1.00 0.00 H new ATOM 156 N PRO A 14 -2.571 22.920 11.394 1.00 0.00 N ATOM 157 CA PRO A 14 -3.577 22.401 12.324 1.00 0.00 C ATOM 158 C PRO A 14 -4.983 22.433 11.735 1.00 0.00 C ATOM 159 O PRO A 14 -5.869 21.704 12.178 1.00 0.00 O ATOM 160 CB PRO A 14 -3.477 23.349 13.521 1.00 0.00 C ATOM 161 CG PRO A 14 -2.939 24.618 12.955 1.00 0.00 C ATOM 162 CD PRO A 14 -2.023 24.215 11.833 1.00 0.00 C ATOM 0 HA PRO A 14 -3.398 21.355 12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.451 23.504 13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.817 22.947 14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.745 25.256 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.401 25.186 13.713 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.029 24.948 11.026 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.991 24.121 12.171 1.00 0.00 H new ATOM 170 N ASN A 15 -5.180 23.283 10.732 1.00 0.00 N ATOM 171 CA ASN A 15 -6.479 23.410 10.082 1.00 0.00 C ATOM 172 C ASN A 15 -6.437 22.842 8.667 1.00 0.00 C ATOM 173 O ASN A 15 -6.996 23.422 7.737 1.00 0.00 O ATOM 174 CB ASN A 15 -6.911 24.878 10.042 1.00 0.00 C ATOM 175 CG ASN A 15 -6.657 25.592 11.355 1.00 0.00 C ATOM 176 OD1 ASN A 15 -5.627 26.243 11.531 1.00 0.00 O ATOM 177 ND2 ASN A 15 -7.598 25.472 12.285 1.00 0.00 N ATOM 0 H ASN A 15 -4.457 23.894 10.352 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.205 22.840 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.374 25.390 9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.972 24.935 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.483 25.930 13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.436 24.922 12.095 1.00 0.00 H new ATOM 184 N ALA A 16 -5.771 21.702 8.513 1.00 0.00 N ATOM 185 CA ALA A 16 -5.659 21.053 7.213 1.00 0.00 C ATOM 186 C ALA A 16 -6.460 19.756 7.175 1.00 0.00 C ATOM 187 O ALA A 16 -6.203 18.833 7.949 1.00 0.00 O ATOM 188 CB ALA A 16 -4.198 20.783 6.882 1.00 0.00 C ATOM 0 H ALA A 16 -5.301 21.209 9.272 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.072 21.726 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.129 20.298 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.650 21.725 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.767 20.132 7.643 1.00 0.00 H new ATOM 194 N LEU A 17 -7.432 19.693 6.272 1.00 0.00 N ATOM 195 CA LEU A 17 -8.272 18.508 6.134 1.00 0.00 C ATOM 196 C LEU A 17 -8.269 18.003 4.695 1.00 0.00 C ATOM 197 O LEU A 17 -8.746 18.683 3.786 1.00 0.00 O ATOM 198 CB LEU A 17 -9.704 18.820 6.573 1.00 0.00 C ATOM 199 CG LEU A 17 -9.854 19.520 7.925 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.292 19.967 8.138 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.405 18.603 9.053 1.00 0.00 C ATOM 0 H LEU A 17 -7.658 20.448 5.625 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.863 17.727 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.169 19.444 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.264 17.886 6.606 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.217 20.404 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.379 20.463 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.578 20.660 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.950 19.098 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.519 19.117 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.015 17.700 9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.359 18.334 8.908 1.00 0.00 H new ATOM 213 N TYR A 18 -7.730 16.806 4.495 1.00 0.00 N ATOM 214 CA TYR A 18 -7.664 16.209 3.166 1.00 0.00 C ATOM 215 C TYR A 18 -8.767 15.172 2.980 1.00 0.00 C ATOM 216 O TYR A 18 -9.748 15.410 2.274 1.00 0.00 O ATOM 217 CB TYR A 18 -6.297 15.562 2.941 1.00 0.00 C ATOM 218 CG TYR A 18 -5.192 16.559 2.675 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.257 17.425 1.591 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.082 16.635 3.508 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.249 18.336 1.343 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.070 17.544 3.269 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.158 18.392 2.185 1.00 0.00 C ATOM 224 OH TYR A 18 -2.152 19.300 1.943 1.00 0.00 O ATOM 0 H TYR A 18 -7.332 16.229 5.236 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.808 17.002 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.036 14.969 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.364 14.874 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.111 17.385 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.010 15.972 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.315 19.001 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.215 17.590 3.927 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.458 19.210 2.629 1.00 0.00 H new ATOM 234 N CYS A 19 -8.600 14.019 3.618 1.00 0.00 N ATOM 235 CA CYS A 19 -9.580 12.943 3.525 1.00 0.00 C ATOM 236 C CYS A 19 -10.978 13.449 3.869 1.00 0.00 C ATOM 237 O CYS A 19 -11.144 14.580 4.325 1.00 0.00 O ATOM 238 CB CYS A 19 -9.197 11.794 4.460 1.00 0.00 C ATOM 239 SG CYS A 19 -9.891 10.180 3.977 1.00 0.00 S ATOM 0 H CYS A 19 -7.794 13.805 4.206 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.587 12.580 2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.110 11.715 4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.531 12.034 5.469 1.00 0.00 H new ATOM 244 N ILE A 20 -11.978 12.603 3.648 1.00 0.00 N ATOM 245 CA ILE A 20 -13.361 12.963 3.936 1.00 0.00 C ATOM 246 C ILE A 20 -13.633 12.943 5.436 1.00 0.00 C ATOM 247 O ILE A 20 -14.554 13.602 5.920 1.00 0.00 O ATOM 248 CB ILE A 20 -14.348 12.013 3.233 1.00 0.00 C ATOM 249 CG1 ILE A 20 -14.122 10.573 3.697 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.201 12.119 1.723 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.192 9.612 3.228 1.00 0.00 C ATOM 0 H ILE A 20 -11.857 11.663 3.270 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.510 13.974 3.556 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.364 12.305 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.153 10.231 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.079 10.553 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.905 11.441 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.408 13.142 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.184 11.850 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.967 8.610 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.161 9.930 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.220 9.602 2.138 1.00 0.00 H new ATOM 263 N CYS A 21 -12.825 12.183 6.168 1.00 0.00 N ATOM 264 CA CYS A 21 -12.977 12.077 7.614 1.00 0.00 C ATOM 265 C CYS A 21 -12.341 13.273 8.317 1.00 0.00 C ATOM 266 O CYS A 21 -12.161 13.267 9.535 1.00 0.00 O ATOM 267 CB CYS A 21 -12.345 10.779 8.120 1.00 0.00 C ATOM 268 SG CYS A 21 -10.560 10.639 7.781 1.00 0.00 S ATOM 0 H CYS A 21 -12.058 11.631 5.783 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.043 12.068 7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.507 10.704 9.195 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.858 9.934 7.661 1.00 0.00 H new ATOM 273 N ARG A 22 -12.003 14.297 7.541 1.00 0.00 N ATOM 274 CA ARG A 22 -11.386 15.500 8.088 1.00 0.00 C ATOM 275 C ARG A 22 -10.222 15.143 9.008 1.00 0.00 C ATOM 276 O ARG A 22 -10.164 15.593 10.153 1.00 0.00 O ATOM 277 CB ARG A 22 -12.421 16.326 8.854 1.00 0.00 C ATOM 278 CG ARG A 22 -13.429 17.024 7.956 1.00 0.00 C ATOM 279 CD ARG A 22 -14.420 16.038 7.359 1.00 0.00 C ATOM 280 NE ARG A 22 -15.720 16.654 7.104 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.931 17.557 6.153 1.00 0.00 C ATOM 282 NH1 ARG A 22 -14.934 17.945 5.370 1.00 0.00 N ATOM 283 NH2 ARG A 22 -17.142 18.072 5.983 1.00 0.00 N ATOM 0 H ARG A 22 -12.146 14.318 6.531 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.002 16.092 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.954 15.674 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.904 17.074 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.966 17.780 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.905 17.545 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.018 15.640 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.546 15.194 8.038 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.508 16.375 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.002 17.550 5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.099 18.639 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.912 17.775 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.303 18.765 5.253 1.00 0.00 H new ATOM 297 N GLN A 23 -9.299 14.334 8.500 1.00 0.00 N ATOM 298 CA GLN A 23 -8.138 13.916 9.276 1.00 0.00 C ATOM 299 C GLN A 23 -6.845 14.210 8.523 1.00 0.00 C ATOM 300 O GLN A 23 -6.806 14.231 7.292 1.00 0.00 O ATOM 301 CB GLN A 23 -8.225 12.424 9.602 1.00 0.00 C ATOM 302 CG GLN A 23 -9.291 12.088 10.633 1.00 0.00 C ATOM 303 CD GLN A 23 -9.021 12.726 11.981 1.00 0.00 C ATOM 304 OE1 GLN A 23 -8.009 12.443 12.624 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.926 13.593 12.418 1.00 0.00 N ATOM 0 H GLN A 23 -9.332 13.955 7.554 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.132 14.483 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.431 11.872 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.257 12.084 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.263 12.419 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.347 11.006 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.750 13.798 11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.797 14.054 13.319 1.00 0.00 H new ATOM 314 N PRO A 24 -5.760 14.442 9.276 1.00 0.00 N ATOM 315 CA PRO A 24 -4.445 14.738 8.700 1.00 0.00 C ATOM 316 C PRO A 24 -3.827 13.526 8.011 1.00 0.00 C ATOM 317 O PRO A 24 -4.460 12.476 7.895 1.00 0.00 O ATOM 318 CB PRO A 24 -3.608 15.146 9.916 1.00 0.00 C ATOM 319 CG PRO A 24 -4.265 14.470 11.070 1.00 0.00 C ATOM 320 CD PRO A 24 -5.733 14.433 10.748 1.00 0.00 C ATOM 0 HA PRO A 24 -4.502 15.505 7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.571 14.828 9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.597 16.228 10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.871 13.463 11.209 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.082 15.014 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.211 13.541 11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.258 15.293 11.165 1.00 0.00 H new ATOM 328 N HIS A 25 -2.588 13.677 7.556 1.00 0.00 N ATOM 329 CA HIS A 25 -1.884 12.594 6.879 1.00 0.00 C ATOM 330 C HIS A 25 -0.934 11.881 7.836 1.00 0.00 C ATOM 331 O HIS A 25 0.241 12.234 7.936 1.00 0.00 O ATOM 332 CB HIS A 25 -1.107 13.133 5.678 1.00 0.00 C ATOM 333 CG HIS A 25 -0.021 12.217 5.206 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.311 12.413 5.504 1.00 0.00 N ATOM 335 CD2 HIS A 25 -0.075 11.092 4.455 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.029 11.449 4.954 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.212 10.635 4.313 1.00 0.00 N ATOM 0 H HIS A 25 -2.050 14.539 7.644 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.626 11.876 6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.802 13.312 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.670 14.096 5.941 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.965 10.638 4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.102 11.345 5.018 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.491 9.801 3.796 1.00 0.00 H new ATOM 346 N ASN A 26 -1.450 10.878 8.538 1.00 0.00 N ATOM 347 CA ASN A 26 -0.647 10.117 9.489 1.00 0.00 C ATOM 348 C ASN A 26 0.202 9.073 8.770 1.00 0.00 C ATOM 349 O ASN A 26 0.019 7.872 8.960 1.00 0.00 O ATOM 350 CB ASN A 26 -1.550 9.435 10.519 1.00 0.00 C ATOM 351 CG ASN A 26 -2.673 10.338 10.991 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.436 11.457 11.445 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.905 9.853 10.886 1.00 0.00 N ATOM 0 H ASN A 26 -2.421 10.573 8.467 1.00 0.00 H new ATOM 0 HA ASN A 26 0.019 10.811 10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.974 8.530 10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.951 9.127 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.701 10.414 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.055 8.919 10.503 1.00 0.00 H new ATOM 360 N ASN A 27 1.132 9.542 7.945 1.00 0.00 N ATOM 361 CA ASN A 27 2.011 8.649 7.197 1.00 0.00 C ATOM 362 C ASN A 27 1.217 7.516 6.556 1.00 0.00 C ATOM 363 O ASN A 27 1.625 6.355 6.600 1.00 0.00 O ATOM 364 CB ASN A 27 3.090 8.074 8.117 1.00 0.00 C ATOM 365 CG ASN A 27 4.378 7.770 7.377 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.698 8.410 6.375 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.126 6.789 7.869 1.00 0.00 N ATOM 0 H ASN A 27 1.297 10.534 7.777 1.00 0.00 H new ATOM 0 HA ASN A 27 2.488 9.227 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.294 8.782 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.718 7.162 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.004 6.540 7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.822 6.285 8.702 1.00 0.00 H new ATOM 374 N ARG A 28 0.080 7.860 5.960 1.00 0.00 N ATOM 375 CA ARG A 28 -0.773 6.872 5.310 1.00 0.00 C ATOM 376 C ARG A 28 -0.633 6.948 3.793 1.00 0.00 C ATOM 377 O ARG A 28 -0.106 7.922 3.255 1.00 0.00 O ATOM 378 CB ARG A 28 -2.234 7.085 5.710 1.00 0.00 C ATOM 379 CG ARG A 28 -2.467 7.042 7.212 1.00 0.00 C ATOM 380 CD ARG A 28 -3.942 7.186 7.551 1.00 0.00 C ATOM 381 NE ARG A 28 -4.292 6.482 8.782 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.279 5.159 8.901 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.935 4.400 7.869 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.610 4.592 10.054 1.00 0.00 N ATOM 0 H ARG A 28 -0.272 8.816 5.914 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.455 5.882 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.570 8.048 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.847 6.320 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.091 6.101 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.902 7.841 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.189 8.243 7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.543 6.798 6.728 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.561 7.037 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.679 4.832 6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.926 3.384 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.875 5.172 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.600 3.576 10.144 1.00 0.00 H new ATOM 398 N PHE A 29 -1.109 5.913 3.108 1.00 0.00 N ATOM 399 CA PHE A 29 -1.036 5.862 1.652 1.00 0.00 C ATOM 400 C PHE A 29 -2.234 6.565 1.022 1.00 0.00 C ATOM 401 O PHE A 29 -3.324 6.000 0.935 1.00 0.00 O ATOM 402 CB PHE A 29 -0.974 4.409 1.174 1.00 0.00 C ATOM 403 CG PHE A 29 -1.222 4.252 -0.298 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.200 4.452 -1.212 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.478 3.903 -0.769 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.425 4.307 -2.568 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.709 3.757 -2.124 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.682 3.960 -3.025 1.00 0.00 C ATOM 0 H PHE A 29 -1.549 5.099 3.537 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.129 6.379 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.006 3.997 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.711 3.822 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.784 4.724 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.285 3.743 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.381 4.465 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.692 3.484 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.861 3.848 -4.084 1.00 0.00 H new ATOM 418 N MET A 30 -2.024 7.803 0.586 1.00 0.00 N ATOM 419 CA MET A 30 -3.087 8.584 -0.036 1.00 0.00 C ATOM 420 C MET A 30 -2.947 8.580 -1.555 1.00 0.00 C ATOM 421 O MET A 30 -1.835 8.601 -2.085 1.00 0.00 O ATOM 422 CB MET A 30 -3.065 10.022 0.486 1.00 0.00 C ATOM 423 CG MET A 30 -3.160 10.121 1.999 1.00 0.00 C ATOM 424 SD MET A 30 -3.113 11.824 2.589 1.00 0.00 S ATOM 425 CE MET A 30 -4.851 12.121 2.905 1.00 0.00 C ATOM 0 H MET A 30 -1.128 8.286 0.652 1.00 0.00 H new ATOM 0 HA MET A 30 -4.041 8.125 0.225 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.146 10.506 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.893 10.574 0.041 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.085 9.651 2.332 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.339 9.562 2.448 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.153 13.054 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.440 11.299 2.499 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.019 12.192 3.980 1.00 0.00 H new ATOM 435 N ILE A 31 -4.079 8.553 -2.250 1.00 0.00 N ATOM 436 CA ILE A 31 -4.081 8.546 -3.707 1.00 0.00 C ATOM 437 C ILE A 31 -4.809 9.766 -4.261 1.00 0.00 C ATOM 438 O ILE A 31 -5.724 10.296 -3.629 1.00 0.00 O ATOM 439 CB ILE A 31 -4.742 7.271 -4.264 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.261 7.344 -4.097 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.185 6.039 -3.567 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.711 7.339 -2.653 1.00 0.00 C ATOM 0 H ILE A 31 -5.007 8.536 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.038 8.572 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.516 7.196 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.628 8.249 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.716 6.499 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.661 5.146 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.109 5.983 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.385 6.105 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.799 7.393 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.374 6.422 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.285 8.199 -2.136 1.00 0.00 H new ATOM 454 N CYS A 32 -4.398 10.206 -5.445 1.00 0.00 N ATOM 455 CA CYS A 32 -5.012 11.364 -6.086 1.00 0.00 C ATOM 456 C CYS A 32 -6.164 10.938 -6.990 1.00 0.00 C ATOM 457 O CYS A 32 -5.974 10.178 -7.939 1.00 0.00 O ATOM 458 CB CYS A 32 -3.971 12.137 -6.896 1.00 0.00 C ATOM 459 SG CYS A 32 -3.135 11.147 -8.158 1.00 0.00 S ATOM 0 H CYS A 32 -3.642 9.779 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.408 12.013 -5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.458 12.985 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.224 12.543 -6.214 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.966 10.273 -8.645 1.00 0.00 H new ATOM 465 N CYS A 33 -7.360 11.431 -6.687 1.00 0.00 N ATOM 466 CA CYS A 33 -8.545 11.101 -7.470 1.00 0.00 C ATOM 467 C CYS A 33 -8.598 11.927 -8.752 1.00 0.00 C ATOM 468 O CYS A 33 -7.841 12.884 -8.917 1.00 0.00 O ATOM 469 CB CYS A 33 -9.811 11.339 -6.644 1.00 0.00 C ATOM 470 SG CYS A 33 -11.299 10.529 -7.314 1.00 0.00 S ATOM 0 H CYS A 33 -7.534 12.061 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.489 10.047 -7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.642 10.981 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.993 12.412 -6.578 1.00 0.00 H new ATOM 475 N ASP A 34 -9.496 11.551 -9.655 1.00 0.00 N ATOM 476 CA ASP A 34 -9.649 12.257 -10.922 1.00 0.00 C ATOM 477 C ASP A 34 -10.998 12.967 -10.988 1.00 0.00 C ATOM 478 O ASP A 34 -11.146 13.977 -11.676 1.00 0.00 O ATOM 479 CB ASP A 34 -9.513 11.283 -12.093 1.00 0.00 C ATOM 480 CG ASP A 34 -9.025 11.963 -13.357 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.853 12.592 -14.049 1.00 0.00 O ATOM 482 OD2 ASP A 34 -7.816 11.866 -13.655 1.00 0.00 O ATOM 0 H ASP A 34 -10.130 10.761 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.860 13.006 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.820 10.487 -11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.478 10.814 -12.286 1.00 0.00 H new ATOM 487 N ARG A 35 -11.979 12.430 -10.270 1.00 0.00 N ATOM 488 CA ARG A 35 -13.317 13.011 -10.250 1.00 0.00 C ATOM 489 C ARG A 35 -13.366 14.231 -9.335 1.00 0.00 C ATOM 490 O ARG A 35 -13.824 15.302 -9.734 1.00 0.00 O ATOM 491 CB ARG A 35 -14.340 11.972 -9.788 1.00 0.00 C ATOM 492 CG ARG A 35 -14.714 10.965 -10.863 1.00 0.00 C ATOM 493 CD ARG A 35 -15.894 11.448 -11.692 1.00 0.00 C ATOM 494 NE ARG A 35 -15.848 10.937 -13.059 1.00 0.00 N ATOM 495 CZ ARG A 35 -15.160 11.515 -14.037 1.00 0.00 C ATOM 496 NH1 ARG A 35 -14.463 12.618 -13.799 1.00 0.00 N ATOM 497 NH2 ARG A 35 -15.168 10.990 -15.256 1.00 0.00 N ATOM 0 H ARG A 35 -11.873 11.594 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.564 13.328 -11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.939 11.438 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.241 12.486 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.857 10.791 -11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.961 10.010 -10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.823 11.132 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.901 12.538 -11.712 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.373 10.090 -13.275 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.455 13.024 -12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.935 13.060 -14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.703 10.142 -15.442 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.639 11.435 -16.006 1.00 0.00 H new ATOM 511 N CYS A 36 -12.890 14.062 -8.106 1.00 0.00 N ATOM 512 CA CYS A 36 -12.881 15.148 -7.133 1.00 0.00 C ATOM 513 C CYS A 36 -11.469 15.696 -6.944 1.00 0.00 C ATOM 514 O CYS A 36 -11.288 16.840 -6.530 1.00 0.00 O ATOM 515 CB CYS A 36 -13.436 14.664 -5.792 1.00 0.00 C ATOM 516 SG CYS A 36 -12.443 13.356 -5.004 1.00 0.00 S ATOM 0 H CYS A 36 -12.505 13.183 -7.760 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.515 15.949 -7.513 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.504 15.513 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.450 14.294 -5.943 1.00 0.00 H new ATOM 521 N GLU A 37 -10.474 14.870 -7.250 1.00 0.00 N ATOM 522 CA GLU A 37 -9.079 15.271 -7.113 1.00 0.00 C ATOM 523 C GLU A 37 -8.751 15.614 -5.662 1.00 0.00 C ATOM 524 O GLU A 37 -8.263 16.703 -5.366 1.00 0.00 O ATOM 525 CB GLU A 37 -8.780 16.473 -8.011 1.00 0.00 C ATOM 526 CG GLU A 37 -8.936 16.178 -9.494 1.00 0.00 C ATOM 527 CD GLU A 37 -8.886 17.431 -10.346 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.418 18.471 -9.904 1.00 0.00 O ATOM 529 OE2 GLU A 37 -8.315 17.373 -11.455 1.00 0.00 O ATOM 0 H GLU A 37 -10.608 13.919 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.455 14.432 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.445 17.293 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.762 16.813 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.146 15.496 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.884 15.667 -9.661 1.00 0.00 H new ATOM 536 N GLU A 38 -9.025 14.674 -4.762 1.00 0.00 N ATOM 537 CA GLU A 38 -8.760 14.877 -3.343 1.00 0.00 C ATOM 538 C GLU A 38 -7.892 13.752 -2.785 1.00 0.00 C ATOM 539 O GLU A 38 -7.714 12.716 -3.425 1.00 0.00 O ATOM 540 CB GLU A 38 -10.074 14.956 -2.563 1.00 0.00 C ATOM 541 CG GLU A 38 -10.636 16.364 -2.459 1.00 0.00 C ATOM 542 CD GLU A 38 -11.829 16.449 -1.527 1.00 0.00 C ATOM 543 OE1 GLU A 38 -11.694 16.049 -0.352 1.00 0.00 O ATOM 544 OE2 GLU A 38 -12.898 16.916 -1.973 1.00 0.00 O ATOM 0 H GLU A 38 -9.430 13.766 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.221 15.818 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.812 14.314 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.915 14.562 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.855 17.038 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.929 16.708 -3.451 1.00 0.00 H new ATOM 551 N TRP A 39 -7.355 13.966 -1.589 1.00 0.00 N ATOM 552 CA TRP A 39 -6.505 12.971 -0.945 1.00 0.00 C ATOM 553 C TRP A 39 -7.262 12.242 0.160 1.00 0.00 C ATOM 554 O TRP A 39 -7.818 12.868 1.062 1.00 0.00 O ATOM 555 CB TRP A 39 -5.253 13.635 -0.370 1.00 0.00 C ATOM 556 CG TRP A 39 -4.395 14.286 -1.412 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.377 15.610 -1.749 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.432 13.643 -2.254 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.460 15.827 -2.750 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.867 14.637 -3.076 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.990 12.324 -2.391 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.885 14.351 -4.022 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.016 12.042 -3.330 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.472 13.052 -4.135 1.00 0.00 C ATOM 0 H TRP A 39 -7.493 14.818 -1.046 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.207 12.242 -1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.552 14.383 0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.664 12.886 0.160 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.992 16.373 -1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.255 16.729 -3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.402 11.539 -1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.465 15.127 -4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.668 11.026 -3.445 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.711 12.800 -4.859 1.00 0.00 H new ATOM 575 N PHE A 40 -7.278 10.915 0.084 1.00 0.00 N ATOM 576 CA PHE A 40 -7.968 10.101 1.079 1.00 0.00 C ATOM 577 C PHE A 40 -7.090 8.939 1.534 1.00 0.00 C ATOM 578 O PHE A 40 -6.013 8.708 0.984 1.00 0.00 O ATOM 579 CB PHE A 40 -9.284 9.568 0.509 1.00 0.00 C ATOM 580 CG PHE A 40 -10.108 10.618 -0.180 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.891 11.495 0.553 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.099 10.728 -1.562 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.650 12.462 -0.078 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.856 11.694 -2.198 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.633 12.561 -1.455 1.00 0.00 C ATOM 0 H PHE A 40 -6.822 10.381 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.183 10.731 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.067 8.767 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.870 9.130 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.908 11.422 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.494 10.052 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.256 13.140 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.840 11.771 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.226 13.315 -1.950 1.00 0.00 H new ATOM 595 N HIS A 41 -7.558 8.212 2.543 1.00 0.00 N ATOM 596 CA HIS A 41 -6.816 7.073 3.073 1.00 0.00 C ATOM 597 C HIS A 41 -7.229 5.782 2.374 1.00 0.00 C ATOM 598 O HIS A 41 -8.398 5.400 2.394 1.00 0.00 O ATOM 599 CB HIS A 41 -7.044 6.946 4.580 1.00 0.00 C ATOM 600 CG HIS A 41 -6.873 8.235 5.323 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.693 8.620 6.362 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.966 9.230 5.173 1.00 0.00 C ATOM 603 CE1 HIS A 41 -7.301 9.796 6.818 1.00 0.00 C ATOM 604 NE2 HIS A 41 -6.254 10.188 6.114 1.00 0.00 N ATOM 0 H HIS A 41 -8.447 8.391 3.010 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.756 7.243 2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.050 6.566 4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.350 6.209 4.983 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -8.480 8.081 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.166 9.264 4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.759 10.344 7.628 1.00 0.00 H new ATOM 612 N GLY A 42 -6.261 5.115 1.753 1.00 0.00 N ATOM 613 CA GLY A 42 -6.544 3.874 1.055 1.00 0.00 C ATOM 614 C GLY A 42 -7.620 3.056 1.741 1.00 0.00 C ATOM 615 O GLY A 42 -8.446 2.425 1.081 1.00 0.00 O ATOM 0 H GLY A 42 -5.286 5.412 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.857 4.097 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.631 3.283 0.986 1.00 0.00 H new ATOM 619 N ASP A 43 -7.610 3.063 3.070 1.00 0.00 N ATOM 620 CA ASP A 43 -8.591 2.315 3.846 1.00 0.00 C ATOM 621 C ASP A 43 -9.958 2.989 3.788 1.00 0.00 C ATOM 622 O ASP A 43 -10.948 2.376 3.387 1.00 0.00 O ATOM 623 CB ASP A 43 -8.133 2.187 5.300 1.00 0.00 C ATOM 624 CG ASP A 43 -8.960 1.185 6.081 1.00 0.00 C ATOM 625 OD1 ASP A 43 -10.079 1.540 6.506 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.487 0.044 6.267 1.00 0.00 O ATOM 0 H ASP A 43 -6.933 3.579 3.632 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.678 1.319 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.086 1.886 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.195 3.161 5.785 1.00 0.00 H new ATOM 631 N CYS A 44 -10.006 4.254 4.191 1.00 0.00 N ATOM 632 CA CYS A 44 -11.252 5.012 4.186 1.00 0.00 C ATOM 633 C CYS A 44 -12.004 4.815 2.873 1.00 0.00 C ATOM 634 O CYS A 44 -13.213 4.587 2.866 1.00 0.00 O ATOM 635 CB CYS A 44 -10.969 6.500 4.407 1.00 0.00 C ATOM 636 SG CYS A 44 -10.962 7.004 6.157 1.00 0.00 S ATOM 0 H CYS A 44 -9.196 4.776 4.525 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.876 4.643 5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.003 6.744 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.719 7.084 3.875 1.00 0.00 H new ATOM 641 N VAL A 45 -11.278 4.905 1.763 1.00 0.00 N ATOM 642 CA VAL A 45 -11.875 4.735 0.444 1.00 0.00 C ATOM 643 C VAL A 45 -11.945 3.262 0.057 1.00 0.00 C ATOM 644 O VAL A 45 -12.804 2.854 -0.724 1.00 0.00 O ATOM 645 CB VAL A 45 -11.083 5.500 -0.633 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.171 7.000 -0.397 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.633 5.040 -0.655 1.00 0.00 C ATOM 0 H VAL A 45 -10.276 5.095 1.751 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.885 5.141 0.500 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.524 5.283 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.605 7.523 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.214 7.314 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.757 7.239 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.088 5.591 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.178 5.226 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.593 3.974 -0.877 1.00 0.00 H new ATOM 657 N GLY A 46 -11.035 2.466 0.611 1.00 0.00 N ATOM 658 CA GLY A 46 -11.010 1.046 0.313 1.00 0.00 C ATOM 659 C GLY A 46 -9.732 0.621 -0.381 1.00 0.00 C ATOM 660 O GLY A 46 -9.127 -0.388 -0.018 1.00 0.00 O ATOM 0 H GLY A 46 -10.314 2.780 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.122 0.482 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.863 0.795 -0.318 1.00 0.00 H new ATOM 664 N ILE A 47 -9.320 1.391 -1.383 1.00 0.00 N ATOM 665 CA ILE A 47 -8.106 1.087 -2.130 1.00 0.00 C ATOM 666 C ILE A 47 -6.968 0.696 -1.193 1.00 0.00 C ATOM 667 O ILE A 47 -6.713 1.369 -0.194 1.00 0.00 O ATOM 668 CB ILE A 47 -7.659 2.285 -2.989 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.760 2.668 -3.981 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.368 1.957 -3.723 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.185 1.529 -4.881 1.00 0.00 C ATOM 0 H ILE A 47 -9.809 2.230 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.340 0.248 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.475 3.136 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.628 3.026 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.411 3.496 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.065 2.813 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.586 1.728 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.527 1.095 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.968 1.872 -5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.329 1.185 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.565 0.708 -4.274 1.00 0.00 H new ATOM 683 N SER A 48 -6.286 -0.396 -1.523 1.00 0.00 N ATOM 684 CA SER A 48 -5.176 -0.879 -0.710 1.00 0.00 C ATOM 685 C SER A 48 -3.849 -0.320 -1.215 1.00 0.00 C ATOM 686 O SER A 48 -3.711 0.010 -2.392 1.00 0.00 O ATOM 687 CB SER A 48 -5.135 -2.409 -0.722 1.00 0.00 C ATOM 688 OG SER A 48 -4.854 -2.901 -2.020 1.00 0.00 O ATOM 0 H SER A 48 -6.483 -0.963 -2.348 1.00 0.00 H new ATOM 0 HA SER A 48 -5.330 -0.534 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.376 -2.761 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.091 -2.804 -0.379 1.00 0.00 H new ATOM 0 HG SER A 48 -4.832 -3.881 -2.001 1.00 0.00 H new ATOM 694 N GLU A 49 -2.877 -0.217 -0.315 1.00 0.00 N ATOM 695 CA GLU A 49 -1.561 0.304 -0.669 1.00 0.00 C ATOM 696 C GLU A 49 -1.079 -0.290 -1.989 1.00 0.00 C ATOM 697 O GLU A 49 -0.590 0.427 -2.862 1.00 0.00 O ATOM 698 CB GLU A 49 -0.552 -0.003 0.440 1.00 0.00 C ATOM 699 CG GLU A 49 0.675 0.893 0.411 1.00 0.00 C ATOM 700 CD GLU A 49 1.705 0.505 1.454 1.00 0.00 C ATOM 701 OE1 GLU A 49 2.381 -0.527 1.264 1.00 0.00 O ATOM 702 OE2 GLU A 49 1.835 1.234 2.460 1.00 0.00 O ATOM 0 H GLU A 49 -2.975 -0.487 0.664 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.645 1.385 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.045 0.101 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.235 -1.042 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.130 0.848 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.370 1.927 0.574 1.00 0.00 H new ATOM 709 N ALA A 50 -1.220 -1.604 -2.127 1.00 0.00 N ATOM 710 CA ALA A 50 -0.801 -2.294 -3.341 1.00 0.00 C ATOM 711 C ALA A 50 -1.693 -1.921 -4.521 1.00 0.00 C ATOM 712 O ALA A 50 -1.206 -1.494 -5.568 1.00 0.00 O ATOM 713 CB ALA A 50 -0.813 -3.800 -3.123 1.00 0.00 C ATOM 0 H ALA A 50 -1.621 -2.212 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 50 0.216 -1.980 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.498 -4.303 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.129 -4.056 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.821 -4.122 -2.861 1.00 0.00 H new ATOM 719 N ARG A 51 -2.999 -2.086 -4.344 1.00 0.00 N ATOM 720 CA ARG A 51 -3.959 -1.769 -5.395 1.00 0.00 C ATOM 721 C ARG A 51 -3.575 -0.476 -6.109 1.00 0.00 C ATOM 722 O ARG A 51 -3.340 -0.469 -7.317 1.00 0.00 O ATOM 723 CB ARG A 51 -5.366 -1.641 -4.809 1.00 0.00 C ATOM 724 CG ARG A 51 -6.416 -1.233 -5.829 1.00 0.00 C ATOM 725 CD ARG A 51 -7.099 -2.446 -6.441 1.00 0.00 C ATOM 726 NE ARG A 51 -8.379 -2.101 -7.054 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.519 -2.015 -6.377 1.00 0.00 C ATOM 728 NH1 ARG A 51 -9.537 -2.246 -5.071 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.643 -1.696 -7.005 1.00 0.00 N ATOM 0 H ARG A 51 -3.417 -2.437 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.948 -2.583 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.654 -2.594 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.350 -0.907 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.161 -0.597 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.949 -0.641 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.445 -2.890 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.258 -3.200 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.399 -1.916 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.674 -2.490 -4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.413 -2.179 -4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.633 -1.516 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.517 -1.630 -6.484 1.00 0.00 H new ATOM 743 N GLY A 52 -3.512 0.616 -5.353 1.00 0.00 N ATOM 744 CA GLY A 52 -3.157 1.899 -5.931 1.00 0.00 C ATOM 745 C GLY A 52 -1.887 1.831 -6.756 1.00 0.00 C ATOM 746 O GLY A 52 -1.882 2.198 -7.931 1.00 0.00 O ATOM 0 H GLY A 52 -3.700 0.635 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.976 2.251 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.030 2.631 -5.133 1.00 0.00 H new ATOM 750 N ARG A 53 -0.807 1.363 -6.139 1.00 0.00 N ATOM 751 CA ARG A 53 0.476 1.252 -6.823 1.00 0.00 C ATOM 752 C ARG A 53 0.295 0.689 -8.230 1.00 0.00 C ATOM 753 O ARG A 53 0.797 1.250 -9.205 1.00 0.00 O ATOM 754 CB ARG A 53 1.428 0.360 -6.025 1.00 0.00 C ATOM 755 CG ARG A 53 2.170 1.097 -4.921 1.00 0.00 C ATOM 756 CD ARG A 53 3.399 1.813 -5.457 1.00 0.00 C ATOM 757 NE ARG A 53 3.822 2.903 -4.582 1.00 0.00 N ATOM 758 CZ ARG A 53 4.533 3.946 -4.998 1.00 0.00 C ATOM 759 NH1 ARG A 53 4.899 4.039 -6.269 1.00 0.00 N ATOM 760 NH2 ARG A 53 4.880 4.898 -4.141 1.00 0.00 N ATOM 0 H ARG A 53 -0.795 1.055 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 53 0.905 2.251 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.861 -0.461 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.154 -0.083 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.502 1.820 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.468 0.390 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.215 1.099 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.184 2.208 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 53 3.557 2.862 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.635 3.309 -6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.445 4.841 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.601 4.830 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.426 5.698 -4.461 1.00 0.00 H new ATOM 774 N LEU A 54 -0.425 -0.423 -8.328 1.00 0.00 N ATOM 775 CA LEU A 54 -0.673 -1.063 -9.616 1.00 0.00 C ATOM 776 C LEU A 54 -1.451 -0.137 -10.544 1.00 0.00 C ATOM 777 O LEU A 54 -1.057 0.088 -11.689 1.00 0.00 O ATOM 778 CB LEU A 54 -1.443 -2.370 -9.418 1.00 0.00 C ATOM 779 CG LEU A 54 -0.610 -3.583 -8.999 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.514 -4.722 -8.552 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.291 -4.031 -10.140 1.00 0.00 C ATOM 0 H LEU A 54 -0.847 -0.900 -7.532 1.00 0.00 H new ATOM 0 HA LEU A 54 0.290 -1.282 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.212 -2.205 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.956 -2.611 -10.349 1.00 0.00 H new ATOM 0 HG LEU A 54 0.020 -3.294 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.904 -5.576 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.117 -4.397 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.170 -5.010 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.876 -4.895 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.320 -4.302 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.963 -3.218 -10.414 1.00 0.00 H new ATOM 793 N LEU A 55 -2.558 0.401 -10.042 1.00 0.00 N ATOM 794 CA LEU A 55 -3.392 1.306 -10.825 1.00 0.00 C ATOM 795 C LEU A 55 -2.534 2.281 -11.626 1.00 0.00 C ATOM 796 O LEU A 55 -2.965 2.801 -12.655 1.00 0.00 O ATOM 797 CB LEU A 55 -4.341 2.079 -9.908 1.00 0.00 C ATOM 798 CG LEU A 55 -5.500 1.278 -9.313 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.242 2.104 -8.274 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.450 0.820 -10.411 1.00 0.00 C ATOM 0 H LEU A 55 -2.898 0.226 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.978 0.708 -11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.759 2.501 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.755 2.917 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.092 0.395 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.063 1.518 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.557 2.382 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.639 3.005 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.269 0.252 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.851 1.690 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.911 0.190 -11.119 1.00 0.00 H new ATOM 812 N GLU A 56 -1.318 2.523 -11.147 1.00 0.00 N ATOM 813 CA GLU A 56 -0.399 3.434 -11.819 1.00 0.00 C ATOM 814 C GLU A 56 0.380 2.712 -12.914 1.00 0.00 C ATOM 815 O GLU A 56 0.157 2.940 -14.103 1.00 0.00 O ATOM 816 CB GLU A 56 0.571 4.053 -10.810 1.00 0.00 C ATOM 817 CG GLU A 56 0.078 5.360 -10.214 1.00 0.00 C ATOM 818 CD GLU A 56 -1.387 5.309 -9.826 1.00 0.00 C ATOM 819 OE1 GLU A 56 -2.243 5.500 -10.716 1.00 0.00 O ATOM 820 OE2 GLU A 56 -1.678 5.078 -8.634 1.00 0.00 O ATOM 0 H GLU A 56 -0.946 2.101 -10.296 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.987 4.228 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.748 3.340 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.530 4.225 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.675 5.602 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.231 6.164 -10.934 1.00 0.00 H new ATOM 827 N ARG A 57 1.295 1.840 -12.503 1.00 0.00 N ATOM 828 CA ARG A 57 2.110 1.085 -13.448 1.00 0.00 C ATOM 829 C ARG A 57 1.249 0.510 -14.569 1.00 0.00 C ATOM 830 O ARG A 57 1.677 0.440 -15.720 1.00 0.00 O ATOM 831 CB ARG A 57 2.849 -0.044 -12.728 1.00 0.00 C ATOM 832 CG ARG A 57 1.932 -1.144 -12.217 1.00 0.00 C ATOM 833 CD ARG A 57 1.736 -2.234 -13.259 1.00 0.00 C ATOM 834 NE ARG A 57 3.007 -2.723 -13.786 1.00 0.00 N ATOM 835 CZ ARG A 57 3.803 -3.558 -13.128 1.00 0.00 C ATOM 836 NH1 ARG A 57 3.461 -3.995 -11.924 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.944 -3.958 -13.675 1.00 0.00 N ATOM 0 H ARG A 57 1.491 1.639 -11.522 1.00 0.00 H new ATOM 0 HA ARG A 57 2.840 1.766 -13.886 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.581 -0.480 -13.408 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.404 0.374 -11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.353 -1.578 -11.310 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.965 -0.718 -11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.184 -3.063 -12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.129 -1.848 -14.078 1.00 0.00 H new ATOM 0 HE ARG A 57 3.300 -2.406 -14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.585 -3.690 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.074 -4.636 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.210 -3.624 -14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.555 -4.599 -13.169 1.00 0.00 H new ATOM 851 N ASN A 58 0.033 0.099 -14.224 1.00 0.00 N ATOM 852 CA ASN A 58 -0.888 -0.471 -15.201 1.00 0.00 C ATOM 853 C ASN A 58 -1.430 0.610 -16.132 1.00 0.00 C ATOM 854 O ASN A 58 -1.543 0.404 -17.339 1.00 0.00 O ATOM 855 CB ASN A 58 -2.045 -1.176 -14.491 1.00 0.00 C ATOM 856 CG ASN A 58 -1.666 -2.561 -14.003 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.866 -2.810 -12.715 1.00 0.00 O flip ATOM 858 ND2 ASN A 58 -1.198 -3.397 -14.777 1.00 0.00 N flip ATOM 0 H ASN A 58 -0.338 0.150 -13.275 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.340 -1.199 -15.799 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.370 -0.572 -13.644 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.893 -1.253 -15.172 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.061 -3.162 -15.760 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.947 -4.325 -14.435 1.00 0.00 H new ATOM 865 N GLY A 59 -1.764 1.763 -15.560 1.00 0.00 N ATOM 866 CA GLY A 59 -2.291 2.858 -16.353 1.00 0.00 C ATOM 867 C GLY A 59 -3.787 3.032 -16.181 1.00 0.00 C ATOM 868 O GLY A 59 -4.483 3.429 -17.115 1.00 0.00 O ATOM 0 H GLY A 59 -1.679 1.958 -14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.786 3.782 -16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.068 2.681 -17.405 1.00 0.00 H new ATOM 872 N GLU A 60 -4.282 2.733 -14.984 1.00 0.00 N ATOM 873 CA GLU A 60 -5.706 2.857 -14.695 1.00 0.00 C ATOM 874 C GLU A 60 -5.998 4.152 -13.943 1.00 0.00 C ATOM 875 O GLU A 60 -5.142 4.675 -13.230 1.00 0.00 O ATOM 876 CB GLU A 60 -6.188 1.658 -13.875 1.00 0.00 C ATOM 877 CG GLU A 60 -6.431 0.410 -14.706 1.00 0.00 C ATOM 878 CD GLU A 60 -7.107 -0.694 -13.917 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.027 -0.385 -13.131 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.717 -1.868 -14.087 1.00 0.00 O ATOM 0 H GLU A 60 -3.719 2.404 -14.200 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.243 2.879 -15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.449 1.434 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.111 1.927 -13.361 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.048 0.666 -15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.480 0.045 -15.093 1.00 0.00 H new ATOM 887 N ASP A 61 -7.213 4.664 -14.109 1.00 0.00 N ATOM 888 CA ASP A 61 -7.619 5.898 -13.446 1.00 0.00 C ATOM 889 C ASP A 61 -8.400 5.598 -12.170 1.00 0.00 C ATOM 890 O ASP A 61 -9.563 5.197 -12.222 1.00 0.00 O ATOM 891 CB ASP A 61 -8.468 6.752 -14.389 1.00 0.00 C ATOM 892 CG ASP A 61 -7.680 7.251 -15.584 1.00 0.00 C ATOM 893 OD1 ASP A 61 -6.877 8.192 -15.415 1.00 0.00 O ATOM 894 OD2 ASP A 61 -7.868 6.701 -16.690 1.00 0.00 O ATOM 0 H ASP A 61 -7.933 4.244 -14.697 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.719 6.451 -13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.319 6.167 -14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.870 7.604 -13.841 1.00 0.00 H new ATOM 899 N TYR A 62 -7.752 5.792 -11.027 1.00 0.00 N ATOM 900 CA TYR A 62 -8.384 5.539 -9.738 1.00 0.00 C ATOM 901 C TYR A 62 -9.543 6.503 -9.500 1.00 0.00 C ATOM 902 O TYR A 62 -9.413 7.710 -9.708 1.00 0.00 O ATOM 903 CB TYR A 62 -7.359 5.668 -8.609 1.00 0.00 C ATOM 904 CG TYR A 62 -7.936 6.228 -7.329 1.00 0.00 C ATOM 905 CD1 TYR A 62 -7.991 7.599 -7.109 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.427 5.385 -6.339 1.00 0.00 C ATOM 907 CE1 TYR A 62 -8.516 8.114 -5.940 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.956 5.892 -5.167 1.00 0.00 C ATOM 909 CZ TYR A 62 -8.998 7.257 -4.972 1.00 0.00 C ATOM 910 OH TYR A 62 -9.523 7.766 -3.807 1.00 0.00 O ATOM 0 H TYR A 62 -6.789 6.124 -10.967 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.777 4.522 -9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.930 4.687 -8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.543 6.310 -8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.617 8.273 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.395 4.316 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.549 9.182 -5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -9.334 5.223 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.775 7.029 -3.212 1.00 0.00 H new ATOM 920 N ILE A 63 -10.675 5.961 -9.064 1.00 0.00 N ATOM 921 CA ILE A 63 -11.856 6.772 -8.796 1.00 0.00 C ATOM 922 C ILE A 63 -12.416 6.485 -7.407 1.00 0.00 C ATOM 923 O ILE A 63 -13.180 5.538 -7.217 1.00 0.00 O ATOM 924 CB ILE A 63 -12.958 6.524 -9.843 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.432 6.821 -11.249 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.180 7.377 -9.537 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.024 8.264 -11.449 1.00 0.00 C ATOM 0 H ILE A 63 -10.799 4.964 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.542 7.814 -8.850 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.251 5.475 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.575 6.178 -11.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.201 6.565 -11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.950 7.191 -10.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.564 7.121 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -13.902 8.431 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.661 8.402 -12.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.884 8.912 -11.279 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.232 8.519 -10.744 1.00 0.00 H new ATOM 939 N CYS A 64 -12.033 7.311 -6.439 1.00 0.00 N ATOM 940 CA CYS A 64 -12.498 7.148 -5.066 1.00 0.00 C ATOM 941 C CYS A 64 -13.976 6.770 -5.034 1.00 0.00 C ATOM 942 O CYS A 64 -14.732 7.042 -5.966 1.00 0.00 O ATOM 943 CB CYS A 64 -12.272 8.437 -4.273 1.00 0.00 C ATOM 944 SG CYS A 64 -13.666 9.607 -4.344 1.00 0.00 S ATOM 0 H CYS A 64 -11.402 8.100 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.925 6.342 -4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.079 8.181 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.377 8.931 -4.651 1.00 0.00 H new ATOM 949 N PRO A 65 -14.398 6.128 -3.934 1.00 0.00 N ATOM 950 CA PRO A 65 -15.788 5.700 -3.752 1.00 0.00 C ATOM 951 C PRO A 65 -16.735 6.877 -3.548 1.00 0.00 C ATOM 952 O PRO A 65 -17.720 7.026 -4.270 1.00 0.00 O ATOM 953 CB PRO A 65 -15.730 4.835 -2.490 1.00 0.00 C ATOM 954 CG PRO A 65 -14.544 5.336 -1.742 1.00 0.00 C ATOM 955 CD PRO A 65 -13.551 5.772 -2.783 1.00 0.00 C ATOM 0 HA PRO A 65 -16.171 5.176 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.641 4.934 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.624 3.779 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.816 6.166 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.126 4.556 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.958 6.621 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.851 4.974 -3.030 1.00 0.00 H new ATOM 963 N ASN A 66 -16.431 7.712 -2.560 1.00 0.00 N ATOM 964 CA ASN A 66 -17.256 8.877 -2.261 1.00 0.00 C ATOM 965 C ASN A 66 -17.751 9.536 -3.544 1.00 0.00 C ATOM 966 O ASN A 66 -18.841 10.108 -3.581 1.00 0.00 O ATOM 967 CB ASN A 66 -16.466 9.887 -1.427 1.00 0.00 C ATOM 968 CG ASN A 66 -16.617 9.651 0.063 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.334 8.562 0.563 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.067 10.674 0.781 1.00 0.00 N ATOM 0 H ASN A 66 -15.619 7.604 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.121 8.542 -1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.411 9.830 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.802 10.895 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.190 10.575 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.289 11.559 0.325 1.00 0.00 H new ATOM 977 N CYS A 67 -16.943 9.453 -4.596 1.00 0.00 N ATOM 978 CA CYS A 67 -17.297 10.040 -5.882 1.00 0.00 C ATOM 979 C CYS A 67 -18.412 9.245 -6.555 1.00 0.00 C ATOM 980 O CYS A 67 -19.511 9.757 -6.775 1.00 0.00 O ATOM 981 CB CYS A 67 -16.072 10.095 -6.796 1.00 0.00 C ATOM 982 SG CYS A 67 -15.098 11.627 -6.643 1.00 0.00 S ATOM 0 H CYS A 67 -16.037 8.984 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.655 11.054 -5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.428 9.244 -6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.399 9.987 -7.830 1.00 0.00 H new ATOM 987 N THR A 68 -18.123 7.988 -6.879 1.00 0.00 N ATOM 988 CA THR A 68 -19.099 7.122 -7.527 1.00 0.00 C ATOM 989 C THR A 68 -20.366 6.998 -6.689 1.00 0.00 C ATOM 990 O THR A 68 -21.478 7.099 -7.209 1.00 0.00 O ATOM 991 CB THR A 68 -18.523 5.716 -7.778 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.239 5.817 -8.404 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.457 4.897 -8.656 1.00 0.00 C ATOM 0 H THR A 68 -17.220 7.548 -6.703 1.00 0.00 H new ATOM 0 HA THR A 68 -19.344 7.582 -8.484 1.00 0.00 H new ATOM 0 HB THR A 68 -18.420 5.213 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.879 4.919 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.029 3.908 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.424 4.797 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.588 5.399 -9.615 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.191 6.779 -5.390 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.322 6.642 -4.480 1.00 0.00 C ATOM 1003 C ILE A 69 -22.382 7.703 -4.758 1.00 0.00 C ATOM 1004 O ILE A 69 -23.580 7.419 -4.738 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.876 6.750 -3.009 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.016 5.545 -2.625 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.088 6.856 -2.096 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.428 5.642 -1.234 1.00 0.00 C ATOM 0 H ILE A 69 -19.278 6.693 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.748 5.653 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.276 7.652 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.621 4.641 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.206 5.442 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.758 6.932 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.665 7.743 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.711 5.970 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.830 4.754 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.797 6.528 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.233 5.714 -0.503 1.00 0.00 H new ATOM 1020 N LEU A 70 -21.933 8.926 -5.018 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.843 10.030 -5.302 1.00 0.00 C ATOM 1022 C LEU A 70 -23.301 9.997 -6.757 1.00 0.00 C ATOM 1023 O LEU A 70 -24.498 10.024 -7.042 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.164 11.367 -4.999 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.751 11.595 -3.545 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.885 12.840 -3.425 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.979 11.709 -2.653 1.00 0.00 C ATOM 0 H LEU A 70 -20.945 9.178 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.719 9.921 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.276 11.451 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.839 12.170 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.165 10.737 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.601 12.986 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.988 12.719 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.445 13.708 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.666 11.871 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.591 12.548 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.561 10.789 -2.715 1.00 0.00 H new ATOM 1039 N SER A 71 -22.340 9.938 -7.673 1.00 0.00 N ATOM 1040 CA SER A 71 -22.645 9.903 -9.099 1.00 0.00 C ATOM 1041 C SER A 71 -21.556 9.162 -9.869 1.00 0.00 C ATOM 1042 O SER A 71 -20.372 9.474 -9.748 1.00 0.00 O ATOM 1043 CB SER A 71 -22.794 11.324 -9.645 1.00 0.00 C ATOM 1044 OG SER A 71 -23.088 11.310 -11.031 1.00 0.00 O ATOM 0 H SER A 71 -21.344 9.913 -7.454 1.00 0.00 H new ATOM 0 HA SER A 71 -23.587 9.370 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.588 11.842 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.874 11.882 -9.471 1.00 0.00 H new ATOM 0 HG SER A 71 -23.180 12.230 -11.355 1.00 0.00 H new ATOM 1050 N GLY A 72 -21.967 8.177 -10.663 1.00 0.00 N ATOM 1051 CA GLY A 72 -21.016 7.406 -11.441 1.00 0.00 C ATOM 1052 C GLY A 72 -21.541 7.059 -12.820 1.00 0.00 C ATOM 1053 O GLY A 72 -22.746 7.076 -13.071 1.00 0.00 O ATOM 0 H GLY A 72 -22.942 7.900 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -20.089 7.971 -11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.774 6.488 -10.906 1.00 0.00 H new ATOM 1057 N PRO A 73 -20.623 6.737 -13.744 1.00 0.00 N ATOM 1058 CA PRO A 73 -20.977 6.380 -15.121 1.00 0.00 C ATOM 1059 C PRO A 73 -21.680 5.030 -15.207 1.00 0.00 C ATOM 1060 O PRO A 73 -22.000 4.555 -16.296 1.00 0.00 O ATOM 1061 CB PRO A 73 -19.622 6.325 -15.832 1.00 0.00 C ATOM 1062 CG PRO A 73 -18.640 6.027 -14.752 1.00 0.00 C ATOM 1063 CD PRO A 73 -19.169 6.697 -13.514 1.00 0.00 C ATOM 0 HA PRO A 73 -21.676 7.092 -15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.610 5.554 -16.602 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.394 7.270 -16.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.540 4.952 -14.601 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.651 6.406 -15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.920 6.134 -12.614 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.754 7.697 -13.390 1.00 0.00 H new ATOM 1071 N SER A 74 -21.916 4.416 -14.052 1.00 0.00 N ATOM 1072 CA SER A 74 -22.578 3.118 -13.998 1.00 0.00 C ATOM 1073 C SER A 74 -24.090 3.284 -13.870 1.00 0.00 C ATOM 1074 O SER A 74 -24.588 3.781 -12.860 1.00 0.00 O ATOM 1075 CB SER A 74 -22.043 2.297 -12.823 1.00 0.00 C ATOM 1076 OG SER A 74 -22.776 1.095 -12.665 1.00 0.00 O ATOM 0 H SER A 74 -21.659 4.796 -13.141 1.00 0.00 H new ATOM 0 HA SER A 74 -22.365 2.590 -14.928 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.990 2.066 -12.986 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.102 2.886 -11.907 1.00 0.00 H new ATOM 0 HG SER A 74 -22.414 0.588 -11.909 1.00 0.00 H new ATOM 1082 N SER A 75 -24.814 2.864 -14.902 1.00 0.00 N ATOM 1083 CA SER A 75 -26.268 2.969 -14.909 1.00 0.00 C ATOM 1084 C SER A 75 -26.868 2.289 -13.682 1.00 0.00 C ATOM 1085 O SER A 75 -26.371 1.262 -13.223 1.00 0.00 O ATOM 1086 CB SER A 75 -26.841 2.344 -16.183 1.00 0.00 C ATOM 1087 OG SER A 75 -26.616 3.179 -17.306 1.00 0.00 O ATOM 0 H SER A 75 -24.417 2.448 -15.744 1.00 0.00 H new ATOM 0 HA SER A 75 -26.530 4.027 -14.882 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.382 1.370 -16.352 1.00 0.00 H new ATOM 0 HB3 SER A 75 -27.911 2.175 -16.060 1.00 0.00 H new ATOM 0 HG SER A 75 -26.990 2.757 -18.108 1.00 0.00 H new ATOM 1093 N GLY A 76 -27.941 2.872 -13.155 1.00 0.00 N ATOM 1094 CA GLY A 76 -28.591 2.309 -11.986 1.00 0.00 C ATOM 1095 C GLY A 76 -28.979 3.368 -10.973 1.00 0.00 C ATOM 1096 O GLY A 76 -29.391 3.017 -9.868 1.00 0.00 O ATOM 0 H GLY A 76 -28.371 3.723 -13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -29.482 1.764 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -27.924 1.587 -11.515 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.998 9.119 6.102 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -12.950 11.241 -5.841 1.00 0.00 ZN