USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 79:sc= 0.307 USER MOD Single : A 8 GLN : amide:sc= -0.936 K(o=-0.94,f=-4.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.669 K(o=-0.67,f=-4.4!) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.0785 (180deg=-0.693) USER MOD Single : A 28 THR OG1 : rot -4:sc= 1.16 USER MOD Single : A 36 THR OG1 : rot 122:sc= -0.215 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-6.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 39:sc= 1.08 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 25:sc= 0.8 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.865 -32.518 -10.624 1.00 0.00 N ATOM 2 CA GLY A 1 -33.983 -31.859 -9.337 1.00 0.00 C ATOM 3 C GLY A 1 -33.595 -30.395 -9.397 1.00 0.00 C ATOM 4 O GLY A 1 -34.454 -29.515 -9.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.141 -33.516 -10.530 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.488 -32.050 -11.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.880 -32.461 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.010 -31.945 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.350 -32.370 -8.611 1.00 0.00 H new ATOM 8 N SER A 2 -32.296 -30.133 -9.504 1.00 0.00 N ATOM 9 CA SER A 2 -31.795 -28.765 -9.565 1.00 0.00 C ATOM 10 C SER A 2 -31.822 -28.240 -10.997 1.00 0.00 C ATOM 11 O SER A 2 -32.231 -27.106 -11.247 1.00 0.00 O ATOM 12 CB SER A 2 -30.370 -28.696 -9.012 1.00 0.00 C ATOM 13 OG SER A 2 -29.457 -29.355 -9.872 1.00 0.00 O ATOM 0 H SER A 2 -31.572 -30.850 -9.550 1.00 0.00 H new ATOM 0 HA SER A 2 -32.445 -28.139 -8.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.073 -27.654 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.338 -29.153 -8.023 1.00 0.00 H new ATOM 0 HG SER A 2 -28.553 -29.295 -9.497 1.00 0.00 H new ATOM 19 N SER A 3 -31.384 -29.074 -11.935 1.00 0.00 N ATOM 20 CA SER A 3 -31.355 -28.694 -13.343 1.00 0.00 C ATOM 21 C SER A 3 -30.792 -27.286 -13.514 1.00 0.00 C ATOM 22 O SER A 3 -31.305 -26.491 -14.300 1.00 0.00 O ATOM 23 CB SER A 3 -32.760 -28.770 -13.943 1.00 0.00 C ATOM 24 OG SER A 3 -33.071 -30.092 -14.346 1.00 0.00 O ATOM 0 H SER A 3 -31.044 -30.017 -11.746 1.00 0.00 H new ATOM 0 HA SER A 3 -30.705 -29.393 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.491 -28.428 -13.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.830 -28.099 -14.799 1.00 0.00 H new ATOM 0 HG SER A 3 -33.975 -30.115 -14.725 1.00 0.00 H new ATOM 30 N GLY A 4 -29.732 -26.985 -12.770 1.00 0.00 N ATOM 31 CA GLY A 4 -29.116 -25.674 -12.853 1.00 0.00 C ATOM 32 C GLY A 4 -28.896 -25.049 -11.489 1.00 0.00 C ATOM 33 O GLY A 4 -29.815 -24.985 -10.673 1.00 0.00 O ATOM 0 H GLY A 4 -29.289 -27.626 -12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.160 -25.757 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.746 -25.017 -13.453 1.00 0.00 H new ATOM 37 N SER A 5 -27.674 -24.589 -11.241 1.00 0.00 N ATOM 38 CA SER A 5 -27.335 -23.971 -9.964 1.00 0.00 C ATOM 39 C SER A 5 -28.465 -23.068 -9.480 1.00 0.00 C ATOM 40 O SER A 5 -28.916 -23.176 -8.339 1.00 0.00 O ATOM 41 CB SER A 5 -26.041 -23.164 -10.091 1.00 0.00 C ATOM 42 OG SER A 5 -24.909 -23.966 -9.803 1.00 0.00 O ATOM 0 H SER A 5 -26.903 -24.632 -11.907 1.00 0.00 H new ATOM 0 HA SER A 5 -27.189 -24.765 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.958 -22.761 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.071 -22.314 -9.410 1.00 0.00 H new ATOM 0 HG SER A 5 -24.095 -23.427 -9.893 1.00 0.00 H new ATOM 48 N SER A 6 -28.919 -22.177 -10.356 1.00 0.00 N ATOM 49 CA SER A 6 -29.994 -21.252 -10.018 1.00 0.00 C ATOM 50 C SER A 6 -29.580 -20.333 -8.873 1.00 0.00 C ATOM 51 O SER A 6 -30.364 -20.061 -7.965 1.00 0.00 O ATOM 52 CB SER A 6 -31.258 -22.024 -9.635 1.00 0.00 C ATOM 53 OG SER A 6 -31.805 -22.696 -10.756 1.00 0.00 O ATOM 0 H SER A 6 -28.559 -22.076 -11.305 1.00 0.00 H new ATOM 0 HA SER A 6 -30.202 -20.640 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.024 -22.746 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.997 -21.337 -9.223 1.00 0.00 H new ATOM 0 HG SER A 6 -31.293 -23.513 -10.930 1.00 0.00 H new ATOM 59 N GLY A 7 -28.339 -19.856 -8.924 1.00 0.00 N ATOM 60 CA GLY A 7 -27.841 -18.972 -7.886 1.00 0.00 C ATOM 61 C GLY A 7 -26.405 -18.550 -8.125 1.00 0.00 C ATOM 62 O GLY A 7 -25.473 -19.212 -7.667 1.00 0.00 O ATOM 0 H GLY A 7 -27.671 -20.066 -9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.473 -18.086 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.914 -19.473 -6.921 1.00 0.00 H new ATOM 66 N GLN A 8 -26.225 -17.447 -8.845 1.00 0.00 N ATOM 67 CA GLN A 8 -24.892 -16.940 -9.145 1.00 0.00 C ATOM 68 C GLN A 8 -24.489 -15.849 -8.158 1.00 0.00 C ATOM 69 O GLN A 8 -25.325 -15.111 -7.636 1.00 0.00 O ATOM 70 CB GLN A 8 -24.840 -16.396 -10.574 1.00 0.00 C ATOM 71 CG GLN A 8 -25.109 -17.450 -11.636 1.00 0.00 C ATOM 72 CD GLN A 8 -26.564 -17.874 -11.682 1.00 0.00 C ATOM 73 OE1 GLN A 8 -27.446 -17.162 -11.200 1.00 0.00 O ATOM 74 NE2 GLN A 8 -26.823 -19.039 -12.263 1.00 0.00 N ATOM 0 H GLN A 8 -26.986 -16.888 -9.231 1.00 0.00 H new ATOM 0 HA GLN A 8 -24.187 -17.766 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.572 -15.595 -10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -23.859 -15.956 -10.751 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -24.817 -17.060 -12.611 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -24.486 -18.323 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.061 -19.597 -12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -27.784 -19.376 -12.323 1.00 0.00 H new ATOM 83 N PRO A 9 -23.179 -15.744 -7.894 1.00 0.00 N ATOM 84 CA PRO A 9 -22.635 -14.745 -6.968 1.00 0.00 C ATOM 85 C PRO A 9 -22.739 -13.327 -7.519 1.00 0.00 C ATOM 86 O PRO A 9 -22.513 -13.094 -8.706 1.00 0.00 O ATOM 87 CB PRO A 9 -21.168 -15.157 -6.823 1.00 0.00 C ATOM 88 CG PRO A 9 -20.855 -15.892 -8.081 1.00 0.00 C ATOM 89 CD PRO A 9 -22.126 -16.590 -8.480 1.00 0.00 C ATOM 0 HA PRO A 9 -23.181 -14.724 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.523 -14.287 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -21.019 -15.789 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.525 -15.207 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -20.049 -16.609 -7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -22.223 -16.659 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -22.165 -17.607 -8.091 1.00 0.00 H new ATOM 97 N SER A 10 -23.081 -12.383 -6.648 1.00 0.00 N ATOM 98 CA SER A 10 -23.218 -10.987 -7.048 1.00 0.00 C ATOM 99 C SER A 10 -22.192 -10.626 -8.119 1.00 0.00 C ATOM 100 O SER A 10 -21.018 -10.987 -8.036 1.00 0.00 O ATOM 101 CB SER A 10 -23.052 -10.069 -5.836 1.00 0.00 C ATOM 102 OG SER A 10 -24.116 -10.241 -4.916 1.00 0.00 O ATOM 0 H SER A 10 -23.268 -12.559 -5.661 1.00 0.00 H new ATOM 0 HA SER A 10 -24.216 -10.850 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.103 -10.281 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.016 -9.030 -6.165 1.00 0.00 H new ATOM 0 HG SER A 10 -23.985 -9.644 -4.150 1.00 0.00 H new ATOM 108 N PRO A 11 -22.645 -9.897 -9.149 1.00 0.00 N ATOM 109 CA PRO A 11 -21.784 -9.470 -10.256 1.00 0.00 C ATOM 110 C PRO A 11 -20.770 -8.415 -9.827 1.00 0.00 C ATOM 111 O PRO A 11 -21.117 -7.275 -9.517 1.00 0.00 O ATOM 112 CB PRO A 11 -22.772 -8.883 -11.267 1.00 0.00 C ATOM 113 CG PRO A 11 -23.940 -8.453 -10.450 1.00 0.00 C ATOM 114 CD PRO A 11 -24.033 -9.432 -9.312 1.00 0.00 C ATOM 0 HA PRO A 11 -21.188 -10.293 -10.651 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -22.335 -8.042 -11.805 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.062 -9.623 -12.013 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.804 -7.437 -10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.854 -8.457 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.408 -8.959 -8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -24.708 -10.256 -9.544 1.00 0.00 H new ATOM 122 N PRO A 12 -19.485 -8.800 -9.810 1.00 0.00 N ATOM 123 CA PRO A 12 -18.394 -7.901 -9.422 1.00 0.00 C ATOM 124 C PRO A 12 -18.153 -6.805 -10.454 1.00 0.00 C ATOM 125 O PRO A 12 -17.304 -6.944 -11.333 1.00 0.00 O ATOM 126 CB PRO A 12 -17.181 -8.832 -9.337 1.00 0.00 C ATOM 127 CG PRO A 12 -17.508 -9.964 -10.248 1.00 0.00 C ATOM 128 CD PRO A 12 -18.999 -10.144 -10.168 1.00 0.00 C ATOM 0 HA PRO A 12 -18.610 -7.374 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.269 -8.323 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.019 -9.179 -8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.196 -9.746 -11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.989 -10.873 -9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.415 -10.482 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.275 -10.885 -9.417 1.00 0.00 H new ATOM 136 N GLN A 13 -18.904 -5.714 -10.338 1.00 0.00 N ATOM 137 CA GLN A 13 -18.770 -4.594 -11.262 1.00 0.00 C ATOM 138 C GLN A 13 -17.408 -3.924 -11.112 1.00 0.00 C ATOM 139 O GLN A 13 -16.525 -4.097 -11.952 1.00 0.00 O ATOM 140 CB GLN A 13 -19.883 -3.572 -11.021 1.00 0.00 C ATOM 141 CG GLN A 13 -21.203 -3.944 -11.678 1.00 0.00 C ATOM 142 CD GLN A 13 -21.195 -3.714 -13.176 1.00 0.00 C ATOM 143 OE1 GLN A 13 -20.246 -4.085 -13.868 1.00 0.00 O ATOM 144 NE2 GLN A 13 -22.255 -3.100 -13.687 1.00 0.00 N ATOM 0 H GLN A 13 -19.611 -5.582 -9.614 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.854 -4.981 -12.277 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -20.039 -3.463 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.561 -2.601 -11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -21.422 -4.993 -11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.006 -3.359 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.019 -2.809 -13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -22.305 -2.919 -14.690 1.00 0.00 H new ATOM 153 N ARG A 14 -17.245 -3.159 -10.037 1.00 0.00 N ATOM 154 CA ARG A 14 -15.991 -2.463 -9.779 1.00 0.00 C ATOM 155 C ARG A 14 -15.575 -2.615 -8.319 1.00 0.00 C ATOM 156 O ARG A 14 -15.338 -1.637 -7.609 1.00 0.00 O ATOM 157 CB ARG A 14 -16.126 -0.979 -10.129 1.00 0.00 C ATOM 158 CG ARG A 14 -14.793 -0.286 -10.362 1.00 0.00 C ATOM 159 CD ARG A 14 -14.220 -0.625 -11.729 1.00 0.00 C ATOM 160 NE ARG A 14 -13.155 0.294 -12.119 1.00 0.00 N ATOM 161 CZ ARG A 14 -12.292 0.047 -13.099 1.00 0.00 C ATOM 162 NH1 ARG A 14 -12.370 -1.086 -13.784 1.00 0.00 N ATOM 163 NH2 ARG A 14 -11.351 0.933 -13.395 1.00 0.00 N ATOM 0 H ARG A 14 -17.966 -3.006 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.221 -2.910 -10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.739 -0.880 -11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.655 -0.471 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.923 0.793 -10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.087 -0.583 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.833 -1.644 -11.717 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.016 -0.595 -12.473 1.00 0.00 H new ATOM 0 HE ARG A 14 -13.068 1.174 -11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.093 -1.769 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.707 -1.274 -14.536 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.289 1.805 -12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.689 0.742 -14.147 1.00 0.00 H new ATOM 177 N PRO A 15 -15.485 -3.872 -7.857 1.00 0.00 N ATOM 178 CA PRO A 15 -15.098 -4.183 -6.478 1.00 0.00 C ATOM 179 C PRO A 15 -13.631 -3.873 -6.204 1.00 0.00 C ATOM 180 O PRO A 15 -12.751 -4.684 -6.490 1.00 0.00 O ATOM 181 CB PRO A 15 -15.357 -5.687 -6.368 1.00 0.00 C ATOM 182 CG PRO A 15 -15.249 -6.194 -7.765 1.00 0.00 C ATOM 183 CD PRO A 15 -15.754 -5.085 -8.647 1.00 0.00 C ATOM 0 HA PRO A 15 -15.654 -3.587 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -14.628 -6.167 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -16.343 -5.889 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.218 -6.448 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.841 -7.099 -7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -15.234 -5.065 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -16.816 -5.196 -8.864 1.00 0.00 H new ATOM 191 N ASN A 16 -13.374 -2.693 -5.648 1.00 0.00 N ATOM 192 CA ASN A 16 -12.011 -2.276 -5.335 1.00 0.00 C ATOM 193 C ASN A 16 -11.545 -2.885 -4.016 1.00 0.00 C ATOM 194 O ASN A 16 -11.864 -2.379 -2.940 1.00 0.00 O ATOM 195 CB ASN A 16 -11.927 -0.750 -5.263 1.00 0.00 C ATOM 196 CG ASN A 16 -12.366 -0.086 -6.554 1.00 0.00 C ATOM 197 OD1 ASN A 16 -12.392 -0.715 -7.612 1.00 0.00 O ATOM 198 ND2 ASN A 16 -12.714 1.193 -6.471 1.00 0.00 N ATOM 0 H ASN A 16 -14.091 -2.009 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.356 -2.633 -6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.550 -0.393 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.902 -0.455 -5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.018 1.694 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.677 1.674 -5.572 1.00 0.00 H new ATOM 205 N ARG A 17 -10.789 -3.974 -4.108 1.00 0.00 N ATOM 206 CA ARG A 17 -10.280 -4.653 -2.922 1.00 0.00 C ATOM 207 C ARG A 17 -8.794 -4.364 -2.727 1.00 0.00 C ATOM 208 O ARG A 17 -8.019 -4.369 -3.683 1.00 0.00 O ATOM 209 CB ARG A 17 -10.506 -6.161 -3.035 1.00 0.00 C ATOM 210 CG ARG A 17 -11.935 -6.586 -2.740 1.00 0.00 C ATOM 211 CD ARG A 17 -12.097 -8.096 -2.824 1.00 0.00 C ATOM 212 NE ARG A 17 -12.294 -8.549 -4.199 1.00 0.00 N ATOM 213 CZ ARG A 17 -12.421 -9.826 -4.540 1.00 0.00 C ATOM 214 NH1 ARG A 17 -12.373 -10.772 -3.612 1.00 0.00 N ATOM 215 NH2 ARG A 17 -12.598 -10.160 -5.812 1.00 0.00 N ATOM 0 H ARG A 17 -10.515 -4.405 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.824 -4.275 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.240 -6.485 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.834 -6.673 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.219 -6.243 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.612 -6.107 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.214 -8.579 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.947 -8.404 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.336 -7.846 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.238 -10.520 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.471 -11.752 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.637 -9.435 -6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.695 -11.141 -6.073 1.00 0.00 H new ATOM 229 N CYS A 18 -8.404 -4.112 -1.482 1.00 0.00 N ATOM 230 CA CYS A 18 -7.013 -3.820 -1.160 1.00 0.00 C ATOM 231 C CYS A 18 -6.081 -4.850 -1.791 1.00 0.00 C ATOM 232 O CYS A 18 -6.258 -6.056 -1.614 1.00 0.00 O ATOM 233 CB CYS A 18 -6.812 -3.796 0.357 1.00 0.00 C ATOM 234 SG CYS A 18 -5.186 -3.167 0.882 1.00 0.00 S ATOM 0 H CYS A 18 -9.033 -4.104 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.771 -2.838 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.590 -3.179 0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.942 -4.806 0.746 1.00 0.00 H new ATOM 239 N THR A 19 -5.086 -4.367 -2.529 1.00 0.00 N ATOM 240 CA THR A 19 -4.126 -5.244 -3.187 1.00 0.00 C ATOM 241 C THR A 19 -3.138 -5.828 -2.185 1.00 0.00 C ATOM 242 O THR A 19 -2.168 -6.484 -2.564 1.00 0.00 O ATOM 243 CB THR A 19 -3.346 -4.499 -4.286 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.234 -3.664 -5.038 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.653 -5.481 -5.219 1.00 0.00 C ATOM 0 H THR A 19 -4.924 -3.372 -2.686 1.00 0.00 H new ATOM 0 HA THR A 19 -4.697 -6.053 -3.642 1.00 0.00 H new ATOM 0 HB THR A 19 -2.587 -3.881 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.729 -3.193 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.109 -4.931 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.956 -6.094 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.398 -6.122 -5.691 1.00 0.00 H new ATOM 253 N VAL A 20 -3.390 -5.587 -0.902 1.00 0.00 N ATOM 254 CA VAL A 20 -2.523 -6.091 0.156 1.00 0.00 C ATOM 255 C VAL A 20 -3.249 -7.115 1.021 1.00 0.00 C ATOM 256 O VAL A 20 -2.712 -8.180 1.325 1.00 0.00 O ATOM 257 CB VAL A 20 -2.010 -4.949 1.053 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.397 -5.506 2.329 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.004 -4.091 0.300 1.00 0.00 C ATOM 0 H VAL A 20 -4.188 -5.045 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.674 -6.569 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.856 -4.320 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.040 -4.684 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.149 -6.074 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.562 -6.159 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.652 -3.289 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.159 -4.707 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.480 -3.662 -0.582 1.00 0.00 H new ATOM 269 N CYS A 21 -4.475 -6.785 1.415 1.00 0.00 N ATOM 270 CA CYS A 21 -5.277 -7.675 2.245 1.00 0.00 C ATOM 271 C CYS A 21 -6.653 -7.903 1.626 1.00 0.00 C ATOM 272 O CYS A 21 -7.428 -8.735 2.100 1.00 0.00 O ATOM 273 CB CYS A 21 -5.429 -7.094 3.653 1.00 0.00 C ATOM 274 SG CYS A 21 -6.390 -5.548 3.719 1.00 0.00 S ATOM 0 H CYS A 21 -4.934 -5.907 1.172 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.763 -8.634 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.910 -7.836 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.438 -6.911 4.068 1.00 0.00 H new ATOM 279 N ARG A 22 -6.949 -7.160 0.565 1.00 0.00 N ATOM 280 CA ARG A 22 -8.231 -7.280 -0.118 1.00 0.00 C ATOM 281 C ARG A 22 -9.388 -7.090 0.858 1.00 0.00 C ATOM 282 O ARG A 22 -10.271 -7.941 0.966 1.00 0.00 O ATOM 283 CB ARG A 22 -8.344 -8.646 -0.799 1.00 0.00 C ATOM 284 CG ARG A 22 -7.193 -8.953 -1.743 1.00 0.00 C ATOM 285 CD ARG A 22 -7.442 -8.383 -3.130 1.00 0.00 C ATOM 286 NE ARG A 22 -6.845 -9.209 -4.176 1.00 0.00 N ATOM 287 CZ ARG A 22 -7.479 -10.213 -4.771 1.00 0.00 C ATOM 288 NH1 ARG A 22 -8.723 -10.515 -4.425 1.00 0.00 N ATOM 289 NH2 ARG A 22 -6.869 -10.918 -5.715 1.00 0.00 N ATOM 0 H ARG A 22 -6.318 -6.468 0.160 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.285 -6.498 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.392 -9.421 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.280 -8.689 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.269 -8.539 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.055 -10.032 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.515 -8.301 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.032 -7.374 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.889 -9.004 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.196 -9.976 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.207 -11.287 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.912 -10.689 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.357 -11.689 -6.171 1.00 0.00 H new ATOM 303 N LYS A 23 -9.377 -5.967 1.568 1.00 0.00 N ATOM 304 CA LYS A 23 -10.424 -5.662 2.536 1.00 0.00 C ATOM 305 C LYS A 23 -11.539 -4.844 1.892 1.00 0.00 C ATOM 306 O LYS A 23 -12.141 -3.984 2.534 1.00 0.00 O ATOM 307 CB LYS A 23 -9.841 -4.900 3.727 1.00 0.00 C ATOM 308 CG LYS A 23 -9.455 -3.467 3.402 1.00 0.00 C ATOM 309 CD LYS A 23 -9.594 -2.563 4.616 1.00 0.00 C ATOM 310 CE LYS A 23 -8.522 -2.856 5.655 1.00 0.00 C ATOM 311 NZ LYS A 23 -8.936 -3.939 6.588 1.00 0.00 N ATOM 0 H LYS A 23 -8.654 -5.252 1.491 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.845 -6.604 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.570 -4.896 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.962 -5.431 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.426 -3.439 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.085 -3.094 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.525 -1.521 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.580 -2.698 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.598 -3.143 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.309 -1.950 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.440 -3.825 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.963 -3.887 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.696 -4.863 6.176 1.00 0.00 H new ATOM 325 N ARG A 24 -11.809 -5.118 0.619 1.00 0.00 N ATOM 326 CA ARG A 24 -12.851 -4.407 -0.111 1.00 0.00 C ATOM 327 C ARG A 24 -12.969 -2.966 0.375 1.00 0.00 C ATOM 328 O ARG A 24 -14.061 -2.493 0.691 1.00 0.00 O ATOM 329 CB ARG A 24 -14.194 -5.123 0.049 1.00 0.00 C ATOM 330 CG ARG A 24 -14.652 -5.242 1.494 1.00 0.00 C ATOM 331 CD ARG A 24 -16.168 -5.292 1.595 1.00 0.00 C ATOM 332 NE ARG A 24 -16.633 -5.079 2.963 1.00 0.00 N ATOM 333 CZ ARG A 24 -17.197 -3.951 3.380 1.00 0.00 C ATOM 334 NH1 ARG A 24 -17.366 -2.940 2.539 1.00 0.00 N ATOM 335 NH2 ARG A 24 -17.594 -3.832 4.641 1.00 0.00 N ATOM 0 H ARG A 24 -11.320 -5.827 0.073 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.577 -4.394 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.953 -4.586 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.118 -6.121 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.227 -6.142 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.276 -4.395 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.600 -4.533 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.523 -6.259 1.238 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.518 -5.838 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.063 -3.027 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.799 -2.075 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.466 -4.607 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.027 -2.965 4.960 1.00 0.00 H new ATOM 349 N VAL A 25 -11.837 -2.272 0.434 1.00 0.00 N ATOM 350 CA VAL A 25 -11.813 -0.884 0.882 1.00 0.00 C ATOM 351 C VAL A 25 -12.958 -0.089 0.266 1.00 0.00 C ATOM 352 O VAL A 25 -13.504 0.819 0.891 1.00 0.00 O ATOM 353 CB VAL A 25 -10.479 -0.203 0.525 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.316 -0.927 1.185 1.00 0.00 C ATOM 355 CG2 VAL A 25 -10.296 -0.147 -0.984 1.00 0.00 C ATOM 0 H VAL A 25 -10.924 -2.648 0.177 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.926 -0.898 1.966 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.501 0.819 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.382 -0.431 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.443 -0.909 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.288 -1.961 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.348 0.337 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.296 -1.159 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.113 0.421 -1.429 1.00 0.00 H new ATOM 365 N GLY A 26 -13.318 -0.437 -0.966 1.00 0.00 N ATOM 366 CA GLY A 26 -14.397 0.255 -1.647 1.00 0.00 C ATOM 367 C GLY A 26 -14.274 1.762 -1.546 1.00 0.00 C ATOM 368 O GLY A 26 -13.182 2.291 -1.337 1.00 0.00 O ATOM 0 H GLY A 26 -12.882 -1.186 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.405 -0.036 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.351 -0.058 -1.222 1.00 0.00 H new ATOM 372 N LEU A 27 -15.397 2.457 -1.698 1.00 0.00 N ATOM 373 CA LEU A 27 -15.410 3.914 -1.624 1.00 0.00 C ATOM 374 C LEU A 27 -14.528 4.410 -0.483 1.00 0.00 C ATOM 375 O LEU A 27 -13.836 5.421 -0.612 1.00 0.00 O ATOM 376 CB LEU A 27 -16.841 4.422 -1.436 1.00 0.00 C ATOM 377 CG LEU A 27 -17.101 5.868 -1.859 1.00 0.00 C ATOM 378 CD1 LEU A 27 -16.203 6.820 -1.085 1.00 0.00 C ATOM 379 CD2 LEU A 27 -16.890 6.032 -3.357 1.00 0.00 C ATOM 0 H LEU A 27 -16.309 2.035 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.013 4.304 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.512 3.774 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.106 4.319 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.138 6.112 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.402 7.845 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.403 6.722 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.159 6.576 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.080 7.067 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.863 5.769 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.576 5.378 -3.895 1.00 0.00 H new ATOM 391 N THR A 28 -14.555 3.691 0.635 1.00 0.00 N ATOM 392 CA THR A 28 -13.758 4.057 1.799 1.00 0.00 C ATOM 393 C THR A 28 -12.336 3.521 1.682 1.00 0.00 C ATOM 394 O THR A 28 -11.785 2.982 2.640 1.00 0.00 O ATOM 395 CB THR A 28 -14.389 3.528 3.101 1.00 0.00 C ATOM 396 OG1 THR A 28 -14.456 2.098 3.066 1.00 0.00 O ATOM 397 CG2 THR A 28 -15.784 4.101 3.298 1.00 0.00 C ATOM 0 H THR A 28 -15.121 2.851 0.759 1.00 0.00 H new ATOM 0 HA THR A 28 -13.731 5.146 1.834 1.00 0.00 H new ATOM 0 HB THR A 28 -13.763 3.842 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.152 1.778 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.209 3.713 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.726 5.188 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.417 3.813 2.459 1.00 0.00 H new ATOM 405 N GLY A 29 -11.747 3.673 0.499 1.00 0.00 N ATOM 406 CA GLY A 29 -10.393 3.199 0.279 1.00 0.00 C ATOM 407 C GLY A 29 -9.500 4.259 -0.335 1.00 0.00 C ATOM 408 O GLY A 29 -9.975 5.314 -0.754 1.00 0.00 O ATOM 0 H GLY A 29 -12.183 4.116 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.966 2.874 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.418 2.327 -0.374 1.00 0.00 H new ATOM 412 N PHE A 30 -8.202 3.979 -0.388 1.00 0.00 N ATOM 413 CA PHE A 30 -7.240 4.917 -0.954 1.00 0.00 C ATOM 414 C PHE A 30 -6.619 4.357 -2.230 1.00 0.00 C ATOM 415 O PHE A 30 -6.453 3.146 -2.372 1.00 0.00 O ATOM 416 CB PHE A 30 -6.143 5.232 0.066 1.00 0.00 C ATOM 417 CG PHE A 30 -6.625 6.044 1.233 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.599 7.429 1.189 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.104 5.423 2.376 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.042 8.179 2.262 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.549 6.169 3.451 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.517 7.548 3.395 1.00 0.00 C ATOM 0 H PHE A 30 -7.792 3.110 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.770 5.836 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.721 4.297 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.338 5.771 -0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.228 7.928 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.130 4.345 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.017 9.258 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.922 5.673 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.863 8.132 4.235 1.00 0.00 H new ATOM 432 N MET A 31 -6.277 5.248 -3.155 1.00 0.00 N ATOM 433 CA MET A 31 -5.673 4.842 -4.419 1.00 0.00 C ATOM 434 C MET A 31 -4.274 5.432 -4.567 1.00 0.00 C ATOM 435 O MET A 31 -4.113 6.576 -4.993 1.00 0.00 O ATOM 436 CB MET A 31 -6.551 5.282 -5.592 1.00 0.00 C ATOM 437 CG MET A 31 -6.089 4.738 -6.934 1.00 0.00 C ATOM 438 SD MET A 31 -7.419 4.667 -8.149 1.00 0.00 S ATOM 439 CE MET A 31 -7.127 3.058 -8.879 1.00 0.00 C ATOM 0 H MET A 31 -6.408 6.254 -3.053 1.00 0.00 H new ATOM 0 HA MET A 31 -5.592 3.755 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.575 4.957 -5.411 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.565 6.371 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.284 5.365 -7.318 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.676 3.739 -6.794 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.872 2.868 -9.652 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.131 3.035 -9.322 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.200 2.290 -8.109 1.00 0.00 H new ATOM 449 N CYS A 32 -3.264 4.644 -4.212 1.00 0.00 N ATOM 450 CA CYS A 32 -1.879 5.087 -4.304 1.00 0.00 C ATOM 451 C CYS A 32 -1.613 5.769 -5.643 1.00 0.00 C ATOM 452 O CYS A 32 -2.431 5.696 -6.561 1.00 0.00 O ATOM 453 CB CYS A 32 -0.929 3.901 -4.125 1.00 0.00 C ATOM 454 SG CYS A 32 0.777 4.373 -3.693 1.00 0.00 S ATOM 0 H CYS A 32 -3.380 3.695 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.701 5.809 -3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.322 3.249 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.911 3.321 -5.048 1.00 0.00 H new ATOM 459 N ARG A 33 -0.465 6.429 -5.748 1.00 0.00 N ATOM 460 CA ARG A 33 -0.092 7.124 -6.974 1.00 0.00 C ATOM 461 C ARG A 33 0.301 6.131 -8.064 1.00 0.00 C ATOM 462 O ARG A 33 -0.036 6.311 -9.234 1.00 0.00 O ATOM 463 CB ARG A 33 1.065 8.089 -6.707 1.00 0.00 C ATOM 464 CG ARG A 33 2.349 7.397 -6.279 1.00 0.00 C ATOM 465 CD ARG A 33 3.506 8.379 -6.186 1.00 0.00 C ATOM 466 NE ARG A 33 4.616 7.843 -5.402 1.00 0.00 N ATOM 467 CZ ARG A 33 5.505 6.980 -5.882 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.414 6.558 -7.135 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.488 6.538 -5.107 1.00 0.00 N ATOM 0 H ARG A 33 0.223 6.497 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.957 7.691 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.258 8.669 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.767 8.795 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.200 6.916 -5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.595 6.610 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.855 8.624 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.158 9.308 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 33 4.714 8.148 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.660 6.896 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.098 5.896 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.561 6.861 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.170 5.876 -5.476 1.00 0.00 H new ATOM 483 N CYS A 34 1.017 5.082 -7.671 1.00 0.00 N ATOM 484 CA CYS A 34 1.458 4.061 -8.613 1.00 0.00 C ATOM 485 C CYS A 34 0.304 3.607 -9.503 1.00 0.00 C ATOM 486 O CYS A 34 0.499 3.286 -10.674 1.00 0.00 O ATOM 487 CB CYS A 34 2.038 2.861 -7.861 1.00 0.00 C ATOM 488 SG CYS A 34 0.996 2.267 -6.490 1.00 0.00 S ATOM 0 H CYS A 34 1.304 4.917 -6.706 1.00 0.00 H new ATOM 0 HA CYS A 34 2.233 4.495 -9.245 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.192 2.044 -8.566 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.018 3.132 -7.467 1.00 0.00 H new ATOM 493 N GLY A 35 -0.899 3.584 -8.937 1.00 0.00 N ATOM 494 CA GLY A 35 -2.066 3.169 -9.692 1.00 0.00 C ATOM 495 C GLY A 35 -2.736 1.945 -9.099 1.00 0.00 C ATOM 496 O GLY A 35 -3.263 1.102 -9.826 1.00 0.00 O ATOM 0 H GLY A 35 -1.086 3.845 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.782 3.990 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.773 2.957 -10.720 1.00 0.00 H new ATOM 500 N THR A 36 -2.715 1.845 -7.774 1.00 0.00 N ATOM 501 CA THR A 36 -3.322 0.714 -7.084 1.00 0.00 C ATOM 502 C THR A 36 -4.220 1.182 -5.945 1.00 0.00 C ATOM 503 O THR A 36 -4.173 2.344 -5.540 1.00 0.00 O ATOM 504 CB THR A 36 -2.252 -0.240 -6.519 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.180 0.514 -5.941 1.00 0.00 O ATOM 506 CG2 THR A 36 -1.708 -1.150 -7.610 1.00 0.00 C ATOM 0 H THR A 36 -2.284 2.534 -7.157 1.00 0.00 H new ATOM 0 HA THR A 36 -3.922 0.180 -7.821 1.00 0.00 H new ATOM 0 HB THR A 36 -2.717 -0.858 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.077 0.267 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.954 -1.814 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.521 -1.743 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.258 -0.545 -8.397 1.00 0.00 H new ATOM 514 N THR A 37 -5.039 0.270 -5.430 1.00 0.00 N ATOM 515 CA THR A 37 -5.949 0.591 -4.337 1.00 0.00 C ATOM 516 C THR A 37 -5.562 -0.151 -3.063 1.00 0.00 C ATOM 517 O THR A 37 -5.274 -1.348 -3.093 1.00 0.00 O ATOM 518 CB THR A 37 -7.405 0.241 -4.698 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.731 0.771 -5.988 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.369 0.795 -3.659 1.00 0.00 C ATOM 0 H THR A 37 -5.091 -0.696 -5.752 1.00 0.00 H new ATOM 0 HA THR A 37 -5.872 1.665 -4.167 1.00 0.00 H new ATOM 0 HB THR A 37 -7.500 -0.845 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.658 0.543 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.391 0.535 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.137 0.368 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.270 1.880 -3.613 1.00 0.00 H new ATOM 528 N PHE A 38 -5.556 0.566 -1.945 1.00 0.00 N ATOM 529 CA PHE A 38 -5.203 -0.024 -0.659 1.00 0.00 C ATOM 530 C PHE A 38 -6.135 0.472 0.442 1.00 0.00 C ATOM 531 O PHE A 38 -7.005 1.310 0.204 1.00 0.00 O ATOM 532 CB PHE A 38 -3.752 0.306 -0.303 1.00 0.00 C ATOM 533 CG PHE A 38 -2.772 -0.060 -1.380 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.453 -1.386 -1.624 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.170 0.922 -2.150 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.550 -1.725 -2.614 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.267 0.589 -3.143 1.00 0.00 C ATOM 538 CZ PHE A 38 -0.958 -0.737 -3.375 1.00 0.00 C ATOM 0 H PHE A 38 -5.792 1.557 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.312 -1.105 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.671 1.373 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.483 -0.218 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.915 -2.164 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.409 1.960 -1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.308 -2.762 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.804 1.364 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.254 -1.001 -4.151 1.00 0.00 H new ATOM 548 N CYS A 39 -5.947 -0.050 1.649 1.00 0.00 N ATOM 549 CA CYS A 39 -6.770 0.338 2.788 1.00 0.00 C ATOM 550 C CYS A 39 -6.069 1.402 3.628 1.00 0.00 C ATOM 551 O CYS A 39 -4.846 1.530 3.593 1.00 0.00 O ATOM 552 CB CYS A 39 -7.087 -0.883 3.654 1.00 0.00 C ATOM 553 SG CYS A 39 -5.618 -1.694 4.363 1.00 0.00 S ATOM 0 H CYS A 39 -5.231 -0.744 1.864 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.701 0.756 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.747 -0.578 4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.635 -1.609 3.053 1.00 0.00 H new ATOM 558 N GLY A 40 -6.855 2.165 4.382 1.00 0.00 N ATOM 559 CA GLY A 40 -6.293 3.208 5.220 1.00 0.00 C ATOM 560 C GLY A 40 -5.065 2.745 5.977 1.00 0.00 C ATOM 561 O GLY A 40 -4.253 3.560 6.416 1.00 0.00 O ATOM 0 H GLY A 40 -7.870 2.079 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.032 4.066 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.048 3.545 5.930 1.00 0.00 H new ATOM 565 N SER A 41 -4.927 1.432 6.133 1.00 0.00 N ATOM 566 CA SER A 41 -3.792 0.862 6.848 1.00 0.00 C ATOM 567 C SER A 41 -2.652 0.538 5.887 1.00 0.00 C ATOM 568 O SER A 41 -1.478 0.590 6.257 1.00 0.00 O ATOM 569 CB SER A 41 -4.216 -0.402 7.598 1.00 0.00 C ATOM 570 OG SER A 41 -3.160 -0.897 8.403 1.00 0.00 O ATOM 0 H SER A 41 -5.588 0.743 5.773 1.00 0.00 H new ATOM 0 HA SER A 41 -3.440 1.601 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.082 -0.184 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.522 -1.167 6.884 1.00 0.00 H new ATOM 0 HG SER A 41 -3.457 -1.704 8.873 1.00 0.00 H new ATOM 576 N HIS A 42 -3.006 0.202 4.651 1.00 0.00 N ATOM 577 CA HIS A 42 -2.014 -0.130 3.635 1.00 0.00 C ATOM 578 C HIS A 42 -2.001 0.917 2.525 1.00 0.00 C ATOM 579 O HIS A 42 -1.604 0.632 1.395 1.00 0.00 O ATOM 580 CB HIS A 42 -2.300 -1.512 3.045 1.00 0.00 C ATOM 581 CG HIS A 42 -2.255 -2.615 4.057 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.968 -3.788 3.924 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.574 -2.721 5.222 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.730 -4.566 4.964 1.00 0.00 C ATOM 585 NE2 HIS A 42 -1.886 -3.942 5.767 1.00 0.00 N ATOM 0 H HIS A 42 -3.972 0.152 4.329 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.033 -0.142 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.283 -1.501 2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.573 -1.720 2.260 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.909 -1.982 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.153 -5.546 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.525 -4.308 6.648 1.00 0.00 H new ATOM 593 N ARG A 43 -2.438 2.127 2.855 1.00 0.00 N ATOM 594 CA ARG A 43 -2.479 3.216 1.886 1.00 0.00 C ATOM 595 C ARG A 43 -1.072 3.714 1.569 1.00 0.00 C ATOM 596 O ARG A 43 -0.808 4.201 0.469 1.00 0.00 O ATOM 597 CB ARG A 43 -3.332 4.369 2.417 1.00 0.00 C ATOM 598 CG ARG A 43 -2.672 5.147 3.543 1.00 0.00 C ATOM 599 CD ARG A 43 -3.496 6.362 3.938 1.00 0.00 C ATOM 600 NE ARG A 43 -3.168 7.532 3.128 1.00 0.00 N ATOM 601 CZ ARG A 43 -3.355 8.783 3.534 1.00 0.00 C ATOM 602 NH1 ARG A 43 -3.865 9.025 4.734 1.00 0.00 N ATOM 603 NH2 ARG A 43 -3.032 9.796 2.740 1.00 0.00 N ATOM 0 H ARG A 43 -2.769 2.379 3.786 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.927 2.835 0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.555 5.052 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.284 3.973 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.542 4.497 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.677 5.466 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.556 6.132 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.325 6.590 4.990 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.774 7.380 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.115 8.250 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.007 9.987 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.639 9.615 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.176 10.756 3.054 1.00 0.00 H new ATOM 617 N TYR A 44 -0.173 3.589 2.539 1.00 0.00 N ATOM 618 CA TYR A 44 1.206 4.030 2.365 1.00 0.00 C ATOM 619 C TYR A 44 1.928 3.165 1.337 1.00 0.00 C ATOM 620 O TYR A 44 1.663 1.971 1.196 1.00 0.00 O ATOM 621 CB TYR A 44 1.950 3.984 3.700 1.00 0.00 C ATOM 622 CG TYR A 44 1.408 4.950 4.729 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.796 6.284 4.731 1.00 0.00 C ATOM 624 CD2 TYR A 44 0.507 4.529 5.699 1.00 0.00 C ATOM 625 CE1 TYR A 44 1.304 7.170 5.670 1.00 0.00 C ATOM 626 CE2 TYR A 44 0.009 5.408 6.641 1.00 0.00 C ATOM 627 CZ TYR A 44 0.410 6.727 6.623 1.00 0.00 C ATOM 628 OH TYR A 44 -0.083 7.607 7.559 1.00 0.00 O ATOM 0 H TYR A 44 -0.374 3.186 3.454 1.00 0.00 H new ATOM 0 HA TYR A 44 1.190 5.057 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.897 2.972 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.003 4.204 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.494 6.635 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.190 3.497 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.617 8.203 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.691 5.064 7.388 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.701 7.137 8.156 1.00 0.00 H new ATOM 638 N PRO A 45 2.865 3.780 0.601 1.00 0.00 N ATOM 639 CA PRO A 45 3.647 3.086 -0.427 1.00 0.00 C ATOM 640 C PRO A 45 4.633 2.088 0.171 1.00 0.00 C ATOM 641 O PRO A 45 4.765 0.966 -0.316 1.00 0.00 O ATOM 642 CB PRO A 45 4.396 4.222 -1.130 1.00 0.00 C ATOM 643 CG PRO A 45 4.486 5.304 -0.110 1.00 0.00 C ATOM 644 CD PRO A 45 3.234 5.202 0.715 1.00 0.00 C ATOM 0 HA PRO A 45 3.015 2.498 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.386 3.902 -1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.861 4.559 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.373 5.182 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.562 6.282 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.411 5.489 1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.447 5.853 0.334 1.00 0.00 H new ATOM 652 N GLU A 46 5.322 2.505 1.228 1.00 0.00 N ATOM 653 CA GLU A 46 6.297 1.646 1.891 1.00 0.00 C ATOM 654 C GLU A 46 5.656 0.330 2.324 1.00 0.00 C ATOM 655 O GLU A 46 6.259 -0.737 2.201 1.00 0.00 O ATOM 656 CB GLU A 46 6.895 2.358 3.106 1.00 0.00 C ATOM 657 CG GLU A 46 5.871 2.704 4.174 1.00 0.00 C ATOM 658 CD GLU A 46 6.390 3.719 5.174 1.00 0.00 C ATOM 659 OE1 GLU A 46 7.477 3.489 5.743 1.00 0.00 O ATOM 660 OE2 GLU A 46 5.709 4.744 5.386 1.00 0.00 O ATOM 0 H GLU A 46 5.224 3.431 1.644 1.00 0.00 H new ATOM 0 HA GLU A 46 7.093 1.427 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.665 1.724 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.386 3.273 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.973 3.096 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.581 1.795 4.702 1.00 0.00 H new ATOM 667 N VAL A 47 4.430 0.414 2.831 1.00 0.00 N ATOM 668 CA VAL A 47 3.707 -0.769 3.281 1.00 0.00 C ATOM 669 C VAL A 47 3.644 -1.826 2.184 1.00 0.00 C ATOM 670 O VAL A 47 3.995 -2.986 2.404 1.00 0.00 O ATOM 671 CB VAL A 47 2.273 -0.417 3.721 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.503 -1.676 4.090 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.300 0.562 4.885 1.00 0.00 C ATOM 0 H VAL A 47 3.917 1.289 2.940 1.00 0.00 H new ATOM 0 HA VAL A 47 4.254 -1.168 4.135 1.00 0.00 H new ATOM 0 HB VAL A 47 1.761 0.060 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.493 -1.407 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.455 -2.339 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.009 -2.185 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.279 0.800 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.829 0.113 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.812 1.475 4.581 1.00 0.00 H new ATOM 683 N HIS A 48 3.196 -1.418 1.001 1.00 0.00 N ATOM 684 CA HIS A 48 3.089 -2.330 -0.132 1.00 0.00 C ATOM 685 C HIS A 48 4.270 -2.157 -1.082 1.00 0.00 C ATOM 686 O HIS A 48 4.129 -2.300 -2.296 1.00 0.00 O ATOM 687 CB HIS A 48 1.777 -2.093 -0.881 1.00 0.00 C ATOM 688 CG HIS A 48 1.689 -0.743 -1.522 1.00 0.00 C ATOM 689 ND1 HIS A 48 0.999 0.312 -0.963 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.210 -0.277 -2.681 1.00 0.00 C ATOM 691 CE1 HIS A 48 1.097 1.368 -1.750 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.828 1.037 -2.800 1.00 0.00 N ATOM 0 H HIS A 48 2.901 -0.462 0.802 1.00 0.00 H new ATOM 0 HA HIS A 48 3.101 -3.350 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.663 -2.859 -1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.945 -2.211 -0.187 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.492 0.281 -0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.814 -0.835 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.655 2.336 -1.567 1.00 0.00 H new ATOM 700 N GLY A 49 5.435 -1.847 -0.521 1.00 0.00 N ATOM 701 CA GLY A 49 6.622 -1.659 -1.333 1.00 0.00 C ATOM 702 C GLY A 49 6.307 -1.070 -2.694 1.00 0.00 C ATOM 703 O GLY A 49 6.523 -1.711 -3.722 1.00 0.00 O ATOM 0 H GLY A 49 5.577 -1.723 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.317 -1.003 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.125 -2.617 -1.463 1.00 0.00 H new ATOM 707 N CYS A 50 5.793 0.156 -2.701 1.00 0.00 N ATOM 708 CA CYS A 50 5.445 0.832 -3.945 1.00 0.00 C ATOM 709 C CYS A 50 6.494 0.566 -5.021 1.00 0.00 C ATOM 710 O CYS A 50 7.687 0.469 -4.731 1.00 0.00 O ATOM 711 CB CYS A 50 5.310 2.338 -3.710 1.00 0.00 C ATOM 712 SG CYS A 50 4.365 3.209 -5.001 1.00 0.00 S ATOM 0 H CYS A 50 5.608 0.701 -1.859 1.00 0.00 H new ATOM 0 HA CYS A 50 4.489 0.437 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.827 2.503 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.306 2.776 -3.646 1.00 0.00 H new ATOM 717 N THR A 51 6.041 0.449 -6.265 1.00 0.00 N ATOM 718 CA THR A 51 6.939 0.194 -7.384 1.00 0.00 C ATOM 719 C THR A 51 6.834 1.293 -8.435 1.00 0.00 C ATOM 720 O THR A 51 5.913 1.299 -9.253 1.00 0.00 O ATOM 721 CB THR A 51 6.639 -1.164 -8.047 1.00 0.00 C ATOM 722 OG1 THR A 51 5.304 -1.172 -8.565 1.00 0.00 O ATOM 723 CG2 THR A 51 6.808 -2.301 -7.050 1.00 0.00 C ATOM 0 H THR A 51 5.057 0.527 -6.523 1.00 0.00 H new ATOM 0 HA THR A 51 7.951 0.177 -6.979 1.00 0.00 H new ATOM 0 HB THR A 51 7.346 -1.309 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.098 -0.296 -8.953 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.591 -3.250 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.833 -2.310 -6.679 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.121 -2.158 -6.216 1.00 0.00 H new ATOM 731 N PHE A 52 7.783 2.223 -8.409 1.00 0.00 N ATOM 732 CA PHE A 52 7.797 3.328 -9.360 1.00 0.00 C ATOM 733 C PHE A 52 8.589 2.960 -10.611 1.00 0.00 C ATOM 734 O PHE A 52 9.397 2.030 -10.596 1.00 0.00 O ATOM 735 CB PHE A 52 8.396 4.578 -8.713 1.00 0.00 C ATOM 736 CG PHE A 52 8.734 5.660 -9.699 1.00 0.00 C ATOM 737 CD1 PHE A 52 7.731 6.357 -10.353 1.00 0.00 C ATOM 738 CD2 PHE A 52 10.054 5.981 -9.970 1.00 0.00 C ATOM 739 CE1 PHE A 52 8.039 7.353 -11.261 1.00 0.00 C ATOM 740 CE2 PHE A 52 10.368 6.976 -10.876 1.00 0.00 C ATOM 741 CZ PHE A 52 9.359 7.663 -11.522 1.00 0.00 C ATOM 0 H PHE A 52 8.552 2.233 -7.739 1.00 0.00 H new ATOM 0 HA PHE A 52 6.768 3.536 -9.652 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.691 4.972 -7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.298 4.299 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.697 6.120 -10.151 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.847 5.447 -9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.248 7.888 -11.766 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.401 7.216 -11.079 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.602 8.441 -12.230 1.00 0.00 H new ATOM 751 N ASP A 53 8.352 3.695 -11.692 1.00 0.00 N ATOM 752 CA ASP A 53 9.044 3.446 -12.952 1.00 0.00 C ATOM 753 C ASP A 53 10.514 3.841 -12.852 1.00 0.00 C ATOM 754 O ASP A 53 10.859 5.019 -12.941 1.00 0.00 O ATOM 755 CB ASP A 53 8.372 4.219 -14.088 1.00 0.00 C ATOM 756 CG ASP A 53 8.812 3.737 -15.456 1.00 0.00 C ATOM 757 OD1 ASP A 53 8.316 2.681 -15.901 1.00 0.00 O ATOM 758 OD2 ASP A 53 9.653 4.416 -16.082 1.00 0.00 O ATOM 0 H ASP A 53 7.687 4.468 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 53 8.987 2.379 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.290 4.119 -14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.603 5.280 -13.988 1.00 0.00 H new ATOM 763 N PHE A 54 11.376 2.847 -12.664 1.00 0.00 N ATOM 764 CA PHE A 54 12.810 3.090 -12.550 1.00 0.00 C ATOM 765 C PHE A 54 13.546 2.601 -13.794 1.00 0.00 C ATOM 766 O PHE A 54 12.949 1.996 -14.685 1.00 0.00 O ATOM 767 CB PHE A 54 13.368 2.396 -11.306 1.00 0.00 C ATOM 768 CG PHE A 54 13.246 0.899 -11.350 1.00 0.00 C ATOM 769 CD1 PHE A 54 12.102 0.271 -10.884 1.00 0.00 C ATOM 770 CD2 PHE A 54 14.274 0.121 -11.856 1.00 0.00 C ATOM 771 CE1 PHE A 54 11.986 -1.106 -10.922 1.00 0.00 C ATOM 772 CE2 PHE A 54 14.164 -1.257 -11.897 1.00 0.00 C ATOM 773 CZ PHE A 54 13.018 -1.870 -11.430 1.00 0.00 C ATOM 0 H PHE A 54 11.107 1.866 -12.587 1.00 0.00 H new ATOM 0 HA PHE A 54 12.965 4.165 -12.458 1.00 0.00 H new ATOM 0 HB2 PHE A 54 14.418 2.664 -11.190 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.845 2.770 -10.426 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.292 0.864 -10.487 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.172 0.596 -12.223 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.090 -1.584 -10.555 1.00 0.00 H new ATOM 0 HE2 PHE A 54 14.973 -1.853 -12.294 1.00 0.00 H new ATOM 0 HZ PHE A 54 12.929 -2.946 -11.462 1.00 0.00 H new ATOM 783 N LYS A 55 14.846 2.867 -13.848 1.00 0.00 N ATOM 784 CA LYS A 55 15.666 2.454 -14.980 1.00 0.00 C ATOM 785 C LYS A 55 16.873 1.648 -14.513 1.00 0.00 C ATOM 786 O LYS A 55 17.883 2.211 -14.092 1.00 0.00 O ATOM 787 CB LYS A 55 16.132 3.678 -15.772 1.00 0.00 C ATOM 788 CG LYS A 55 14.992 4.520 -16.318 1.00 0.00 C ATOM 789 CD LYS A 55 15.440 5.942 -16.612 1.00 0.00 C ATOM 790 CE LYS A 55 14.293 6.930 -16.463 1.00 0.00 C ATOM 791 NZ LYS A 55 13.494 7.045 -17.715 1.00 0.00 N ATOM 0 H LYS A 55 15.355 3.368 -13.120 1.00 0.00 H new ATOM 0 HA LYS A 55 15.057 1.821 -15.626 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.756 4.299 -15.130 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.757 3.347 -16.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.605 4.064 -17.229 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.174 4.537 -15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.249 6.217 -15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.839 5.997 -17.625 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.645 6.613 -15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.690 7.909 -16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.722 7.727 -17.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.107 7.372 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.094 6.116 -17.958 1.00 0.00 H new ATOM 805 N SER A 56 16.762 0.325 -14.592 1.00 0.00 N ATOM 806 CA SER A 56 17.844 -0.559 -14.174 1.00 0.00 C ATOM 807 C SER A 56 17.715 -1.926 -14.839 1.00 0.00 C ATOM 808 O SER A 56 16.707 -2.613 -14.679 1.00 0.00 O ATOM 809 CB SER A 56 17.844 -0.717 -12.653 1.00 0.00 C ATOM 810 OG SER A 56 18.791 -1.687 -12.241 1.00 0.00 O ATOM 0 H SER A 56 15.934 -0.158 -14.941 1.00 0.00 H new ATOM 0 HA SER A 56 18.787 -0.110 -14.485 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.072 0.240 -12.185 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.850 -1.008 -12.315 1.00 0.00 H new ATOM 0 HG SER A 56 18.773 -1.768 -11.265 1.00 0.00 H new ATOM 816 N ALA A 57 18.744 -2.314 -15.585 1.00 0.00 N ATOM 817 CA ALA A 57 18.748 -3.599 -16.273 1.00 0.00 C ATOM 818 C ALA A 57 18.566 -4.749 -15.288 1.00 0.00 C ATOM 819 O ALA A 57 19.526 -5.211 -14.673 1.00 0.00 O ATOM 820 CB ALA A 57 20.040 -3.773 -17.058 1.00 0.00 C ATOM 0 H ALA A 57 19.586 -1.756 -15.728 1.00 0.00 H new ATOM 0 HA ALA A 57 17.909 -3.614 -16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.030 -4.737 -17.567 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.128 -2.975 -17.795 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.889 -3.732 -16.375 1.00 0.00 H new ATOM 826 N GLY A 58 17.326 -5.206 -15.143 1.00 0.00 N ATOM 827 CA GLY A 58 17.040 -6.298 -14.230 1.00 0.00 C ATOM 828 C GLY A 58 17.173 -7.656 -14.891 1.00 0.00 C ATOM 829 O GLY A 58 18.234 -7.998 -15.414 1.00 0.00 O ATOM 0 H GLY A 58 16.515 -4.840 -15.641 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.719 -6.243 -13.379 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.029 -6.185 -13.839 1.00 0.00 H new ATOM 833 N SER A 59 16.095 -8.432 -14.866 1.00 0.00 N ATOM 834 CA SER A 59 16.097 -9.763 -15.463 1.00 0.00 C ATOM 835 C SER A 59 15.700 -9.699 -16.935 1.00 0.00 C ATOM 836 O SER A 59 14.557 -9.391 -17.268 1.00 0.00 O ATOM 837 CB SER A 59 15.141 -10.686 -14.705 1.00 0.00 C ATOM 838 OG SER A 59 13.798 -10.256 -14.845 1.00 0.00 O ATOM 0 H SER A 59 15.209 -8.163 -14.439 1.00 0.00 H new ATOM 0 HA SER A 59 17.108 -10.164 -15.395 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.241 -11.705 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.411 -10.707 -13.649 1.00 0.00 H new ATOM 0 HG SER A 59 13.705 -9.736 -15.671 1.00 0.00 H new ATOM 844 N GLY A 60 16.655 -9.992 -17.812 1.00 0.00 N ATOM 845 CA GLY A 60 16.388 -9.963 -19.238 1.00 0.00 C ATOM 846 C GLY A 60 15.532 -11.128 -19.692 1.00 0.00 C ATOM 847 O GLY A 60 15.840 -12.291 -19.430 1.00 0.00 O ATOM 0 H GLY A 60 17.609 -10.249 -17.560 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.888 -9.028 -19.492 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.333 -9.977 -19.782 1.00 0.00 H new ATOM 851 N PRO A 61 14.427 -10.821 -20.387 1.00 0.00 N ATOM 852 CA PRO A 61 13.500 -11.839 -20.892 1.00 0.00 C ATOM 853 C PRO A 61 14.104 -12.661 -22.025 1.00 0.00 C ATOM 854 O PRO A 61 15.263 -12.471 -22.394 1.00 0.00 O ATOM 855 CB PRO A 61 12.314 -11.017 -21.401 1.00 0.00 C ATOM 856 CG PRO A 61 12.889 -9.682 -21.726 1.00 0.00 C ATOM 857 CD PRO A 61 13.998 -9.456 -20.736 1.00 0.00 C ATOM 0 HA PRO A 61 13.234 -12.566 -20.124 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.861 -11.477 -22.279 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.533 -10.938 -20.644 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.268 -9.659 -22.748 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.132 -8.902 -21.649 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.813 -8.877 -21.171 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.650 -8.908 -19.861 1.00 0.00 H new ATOM 865 N SER A 62 13.311 -13.576 -22.575 1.00 0.00 N ATOM 866 CA SER A 62 13.768 -14.429 -23.664 1.00 0.00 C ATOM 867 C SER A 62 13.027 -14.105 -24.958 1.00 0.00 C ATOM 868 O SER A 62 11.797 -14.130 -25.004 1.00 0.00 O ATOM 869 CB SER A 62 13.568 -15.903 -23.305 1.00 0.00 C ATOM 870 OG SER A 62 14.700 -16.421 -22.629 1.00 0.00 O ATOM 0 H SER A 62 12.348 -13.745 -22.283 1.00 0.00 H new ATOM 0 HA SER A 62 14.830 -14.240 -23.817 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.684 -16.011 -22.676 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.386 -16.480 -24.212 1.00 0.00 H new ATOM 0 HG SER A 62 14.547 -17.364 -22.409 1.00 0.00 H new ATOM 876 N SER A 63 13.784 -13.799 -26.006 1.00 0.00 N ATOM 877 CA SER A 63 13.200 -13.465 -27.300 1.00 0.00 C ATOM 878 C SER A 63 12.438 -14.655 -27.875 1.00 0.00 C ATOM 879 O SER A 63 12.620 -15.792 -27.442 1.00 0.00 O ATOM 880 CB SER A 63 14.291 -13.023 -28.277 1.00 0.00 C ATOM 881 OG SER A 63 14.584 -11.645 -28.125 1.00 0.00 O ATOM 0 H SER A 63 14.804 -13.775 -25.985 1.00 0.00 H new ATOM 0 HA SER A 63 12.499 -12.643 -27.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.194 -13.611 -28.109 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.969 -13.219 -29.300 1.00 0.00 H new ATOM 0 HG SER A 63 15.285 -11.388 -28.759 1.00 0.00 H new ATOM 887 N GLY A 64 11.582 -14.384 -28.856 1.00 0.00 N ATOM 888 CA GLY A 64 10.804 -15.441 -29.475 1.00 0.00 C ATOM 889 C GLY A 64 10.682 -15.267 -30.976 1.00 0.00 C ATOM 890 O GLY A 64 10.645 -14.132 -31.447 1.00 0.00 O ATOM 0 H GLY A 64 11.414 -13.451 -29.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.269 -16.403 -29.260 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.808 -15.462 -29.032 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -5.166 -3.643 3.168 1.00 0.00 ZN HETATM 896 ZN ZN A 401 2.148 2.642 -4.469 1.00 0.00 ZN