USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 551 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 38 THR OG1 : rot 180:sc= -0.0995 USER MOD Set 1.2: A 42 HIS : no HE2:sc= -19! C(o=-19!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.596 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 23 CYS SG : rot 56:sc= 0.0236 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 43:sc= 0.162 USER MOD Single : A 36 HIS : no HD1:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.102 USER MOD Single : A 45 HIS : no HE2:sc= -3.38 X(o=-3.4,f=-3.5!) USER MOD Single : A 46 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.83) USER MOD Single : A 50 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.5!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0392 (180deg=-0.3) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -176:sc= 0.831 USER MOD Single : A 58 THR OG1 : rot 65:sc= 0.57 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.567 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 1.75 (180deg=0.903) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 153:sc= -0.0327 (180deg=-1.18) USER MOD Single : A 72 THR OG1 : rot 40:sc= 0.467 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.179 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.206 5.727 -9.699 1.00 0.00 N ATOM 2 CA GLY A 1 -16.156 6.035 -8.647 1.00 0.00 C ATOM 3 C GLY A 1 -17.430 5.221 -8.761 1.00 0.00 C ATOM 4 O GLY A 1 -18.251 5.460 -9.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.353 6.309 -9.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.949 4.720 -9.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.635 5.931 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.694 5.847 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.402 7.096 -8.683 1.00 0.00 H new ATOM 8 N SER A 2 -17.596 4.256 -7.862 1.00 0.00 N ATOM 9 CA SER A 2 -18.777 3.400 -7.869 1.00 0.00 C ATOM 10 C SER A 2 -20.008 4.169 -7.398 1.00 0.00 C ATOM 11 O SER A 2 -20.138 4.491 -6.217 1.00 0.00 O ATOM 12 CB SER A 2 -18.553 2.179 -6.975 1.00 0.00 C ATOM 13 OG SER A 2 -19.304 1.068 -7.432 1.00 0.00 O ATOM 0 H SER A 2 -16.928 4.047 -7.120 1.00 0.00 H new ATOM 0 HA SER A 2 -18.947 3.066 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.493 1.924 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.838 2.418 -5.950 1.00 0.00 H new ATOM 0 HG SER A 2 -19.142 0.300 -6.845 1.00 0.00 H new ATOM 19 N SER A 3 -20.908 4.461 -8.331 1.00 0.00 N ATOM 20 CA SER A 3 -22.127 5.196 -8.014 1.00 0.00 C ATOM 21 C SER A 3 -23.362 4.341 -8.284 1.00 0.00 C ATOM 22 O SER A 3 -23.525 3.791 -9.372 1.00 0.00 O ATOM 23 CB SER A 3 -22.198 6.486 -8.833 1.00 0.00 C ATOM 24 OG SER A 3 -23.457 7.119 -8.681 1.00 0.00 O ATOM 0 H SER A 3 -20.816 4.200 -9.313 1.00 0.00 H new ATOM 0 HA SER A 3 -22.104 5.448 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.406 7.165 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.025 6.262 -9.886 1.00 0.00 H new ATOM 0 HG SER A 3 -23.476 7.942 -9.213 1.00 0.00 H new ATOM 30 N GLY A 4 -24.231 4.235 -7.283 1.00 0.00 N ATOM 31 CA GLY A 4 -25.440 3.447 -7.430 1.00 0.00 C ATOM 32 C GLY A 4 -25.950 2.913 -6.106 1.00 0.00 C ATOM 33 O GLY A 4 -26.211 3.680 -5.179 1.00 0.00 O ATOM 0 H GLY A 4 -24.119 4.681 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.214 4.058 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.246 2.613 -8.104 1.00 0.00 H new ATOM 37 N SER A 5 -26.093 1.595 -6.016 1.00 0.00 N ATOM 38 CA SER A 5 -26.580 0.960 -4.797 1.00 0.00 C ATOM 39 C SER A 5 -25.483 0.125 -4.144 1.00 0.00 C ATOM 40 O SER A 5 -24.949 -0.803 -4.752 1.00 0.00 O ATOM 41 CB SER A 5 -27.793 0.080 -5.105 1.00 0.00 C ATOM 42 OG SER A 5 -28.925 0.867 -5.432 1.00 0.00 O ATOM 0 H SER A 5 -25.879 0.946 -6.773 1.00 0.00 H new ATOM 0 HA SER A 5 -26.877 1.745 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.560 -0.589 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.019 -0.547 -4.243 1.00 0.00 H new ATOM 0 HG SER A 5 -29.686 0.281 -5.626 1.00 0.00 H new ATOM 48 N SER A 6 -25.152 0.461 -2.902 1.00 0.00 N ATOM 49 CA SER A 6 -24.116 -0.254 -2.166 1.00 0.00 C ATOM 50 C SER A 6 -24.733 -1.244 -1.182 1.00 0.00 C ATOM 51 O SER A 6 -25.847 -1.043 -0.699 1.00 0.00 O ATOM 52 CB SER A 6 -23.218 0.733 -1.418 1.00 0.00 C ATOM 53 OG SER A 6 -22.023 0.106 -0.983 1.00 0.00 O ATOM 0 H SER A 6 -25.586 1.224 -2.384 1.00 0.00 H new ATOM 0 HA SER A 6 -23.513 -0.810 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.976 1.574 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.753 1.138 -0.559 1.00 0.00 H new ATOM 0 HG SER A 6 -21.465 0.758 -0.509 1.00 0.00 H new ATOM 59 N GLY A 7 -24.000 -2.314 -0.890 1.00 0.00 N ATOM 60 CA GLY A 7 -24.491 -3.320 0.034 1.00 0.00 C ATOM 61 C GLY A 7 -25.118 -4.503 -0.677 1.00 0.00 C ATOM 62 O GLY A 7 -26.207 -4.949 -0.314 1.00 0.00 O ATOM 0 H GLY A 7 -23.075 -2.502 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.668 -3.669 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.226 -2.869 0.700 1.00 0.00 H new ATOM 66 N THR A 8 -24.431 -5.013 -1.694 1.00 0.00 N ATOM 67 CA THR A 8 -24.928 -6.149 -2.459 1.00 0.00 C ATOM 68 C THR A 8 -23.908 -7.282 -2.486 1.00 0.00 C ATOM 69 O THR A 8 -22.863 -7.173 -3.126 1.00 0.00 O ATOM 70 CB THR A 8 -25.270 -5.746 -3.906 1.00 0.00 C ATOM 71 OG1 THR A 8 -24.126 -5.154 -4.532 1.00 0.00 O ATOM 72 CG2 THR A 8 -26.434 -4.767 -3.935 1.00 0.00 C ATOM 0 H THR A 8 -23.528 -4.657 -2.007 1.00 0.00 H new ATOM 0 HA THR A 8 -25.835 -6.492 -1.962 1.00 0.00 H new ATOM 0 HB THR A 8 -25.559 -6.644 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.315 -5.619 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 8 -26.657 -4.497 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 8 -27.311 -5.231 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 8 -26.169 -3.870 -3.375 1.00 0.00 H new ATOM 80 N SER A 9 -24.220 -8.370 -1.788 1.00 0.00 N ATOM 81 CA SER A 9 -23.329 -9.522 -1.730 1.00 0.00 C ATOM 82 C SER A 9 -24.124 -10.824 -1.731 1.00 0.00 C ATOM 83 O SER A 9 -25.116 -10.959 -1.015 1.00 0.00 O ATOM 84 CB SER A 9 -22.448 -9.450 -0.482 1.00 0.00 C ATOM 85 OG SER A 9 -21.601 -8.314 -0.519 1.00 0.00 O ATOM 0 H SER A 9 -25.083 -8.477 -1.255 1.00 0.00 H new ATOM 0 HA SER A 9 -22.694 -9.504 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.076 -9.410 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 9 -21.845 -10.355 -0.406 1.00 0.00 H new ATOM 0 HG SER A 9 -21.050 -8.291 0.291 1.00 0.00 H new ATOM 91 N ILE A 10 -23.680 -11.780 -2.541 1.00 0.00 N ATOM 92 CA ILE A 10 -24.348 -13.072 -2.635 1.00 0.00 C ATOM 93 C ILE A 10 -23.375 -14.215 -2.367 1.00 0.00 C ATOM 94 O ILE A 10 -23.785 -15.348 -2.108 1.00 0.00 O ATOM 95 CB ILE A 10 -24.991 -13.274 -4.020 1.00 0.00 C ATOM 96 CG1 ILE A 10 -23.923 -13.222 -5.114 1.00 0.00 C ATOM 97 CG2 ILE A 10 -26.061 -12.221 -4.265 1.00 0.00 C ATOM 98 CD1 ILE A 10 -24.254 -14.070 -6.322 1.00 0.00 C ATOM 0 H ILE A 10 -22.861 -11.684 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 10 -25.130 -13.079 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 10 -25.463 -14.256 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -23.790 -12.188 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.971 -13.553 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -26.506 -12.377 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -26.833 -12.302 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -25.611 -11.229 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.453 -13.985 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.358 -15.111 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -25.189 -13.725 -6.763 1.00 0.00 H new ATOM 110 N THR A 11 -22.082 -13.912 -2.428 1.00 0.00 N ATOM 111 CA THR A 11 -21.050 -14.913 -2.192 1.00 0.00 C ATOM 112 C THR A 11 -19.737 -14.261 -1.775 1.00 0.00 C ATOM 113 O THR A 11 -19.156 -13.457 -2.505 1.00 0.00 O ATOM 114 CB THR A 11 -20.807 -15.776 -3.444 1.00 0.00 C ATOM 115 OG1 THR A 11 -21.989 -16.518 -3.765 1.00 0.00 O ATOM 116 CG2 THR A 11 -19.645 -16.733 -3.225 1.00 0.00 C ATOM 0 H THR A 11 -21.725 -12.980 -2.639 1.00 0.00 H new ATOM 0 HA THR A 11 -21.408 -15.551 -1.384 1.00 0.00 H new ATOM 0 HB THR A 11 -20.559 -15.113 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.827 -17.063 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.493 -17.332 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.740 -16.164 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.868 -17.390 -2.384 1.00 0.00 H new ATOM 124 N PRO A 12 -19.255 -14.614 -0.574 1.00 0.00 N ATOM 125 CA PRO A 12 -18.003 -14.075 -0.034 1.00 0.00 C ATOM 126 C PRO A 12 -16.779 -14.588 -0.785 1.00 0.00 C ATOM 127 O PRO A 12 -16.196 -15.607 -0.416 1.00 0.00 O ATOM 128 CB PRO A 12 -17.994 -14.579 1.411 1.00 0.00 C ATOM 129 CG PRO A 12 -18.836 -15.808 1.389 1.00 0.00 C ATOM 130 CD PRO A 12 -19.895 -15.566 0.349 1.00 0.00 C ATOM 0 HA PRO A 12 -17.955 -12.990 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.981 -14.799 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.401 -13.833 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.239 -16.686 1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.283 -15.992 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.179 -16.488 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -20.802 -15.152 0.788 1.00 0.00 H new ATOM 138 N SER A 13 -16.395 -13.875 -1.839 1.00 0.00 N ATOM 139 CA SER A 13 -15.242 -14.261 -2.643 1.00 0.00 C ATOM 140 C SER A 13 -14.038 -13.380 -2.325 1.00 0.00 C ATOM 141 O SER A 13 -14.094 -12.532 -1.434 1.00 0.00 O ATOM 142 CB SER A 13 -15.578 -14.166 -4.133 1.00 0.00 C ATOM 143 OG SER A 13 -16.101 -15.391 -4.617 1.00 0.00 O ATOM 0 H SER A 13 -16.866 -13.027 -2.156 1.00 0.00 H new ATOM 0 HA SER A 13 -14.990 -15.293 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.303 -13.368 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.682 -13.902 -4.695 1.00 0.00 H new ATOM 0 HG SER A 13 -16.309 -15.304 -5.571 1.00 0.00 H new ATOM 149 N SER A 14 -12.950 -13.586 -3.060 1.00 0.00 N ATOM 150 CA SER A 14 -11.731 -12.814 -2.855 1.00 0.00 C ATOM 151 C SER A 14 -11.364 -12.033 -4.113 1.00 0.00 C ATOM 152 O SER A 14 -10.487 -12.441 -4.875 1.00 0.00 O ATOM 153 CB SER A 14 -10.577 -13.738 -2.460 1.00 0.00 C ATOM 154 OG SER A 14 -10.796 -14.310 -1.182 1.00 0.00 O ATOM 0 H SER A 14 -12.888 -14.282 -3.803 1.00 0.00 H new ATOM 0 HA SER A 14 -11.912 -12.104 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.470 -14.529 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.643 -13.177 -2.455 1.00 0.00 H new ATOM 0 HG SER A 14 -10.046 -14.897 -0.954 1.00 0.00 H new ATOM 160 N GLN A 15 -12.041 -10.909 -4.323 1.00 0.00 N ATOM 161 CA GLN A 15 -11.787 -10.071 -5.489 1.00 0.00 C ATOM 162 C GLN A 15 -10.670 -9.072 -5.208 1.00 0.00 C ATOM 163 O GLN A 15 -10.766 -8.260 -4.288 1.00 0.00 O ATOM 164 CB GLN A 15 -13.061 -9.328 -5.896 1.00 0.00 C ATOM 165 CG GLN A 15 -13.032 -8.809 -7.325 1.00 0.00 C ATOM 166 CD GLN A 15 -14.322 -8.118 -7.721 1.00 0.00 C ATOM 167 OE1 GLN A 15 -15.408 -8.680 -7.583 1.00 0.00 O ATOM 168 NE2 GLN A 15 -14.208 -6.891 -8.215 1.00 0.00 N ATOM 0 H GLN A 15 -12.769 -10.558 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.474 -10.718 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.915 -9.996 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.216 -8.490 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.202 -8.112 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.845 -9.640 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.287 -6.464 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.042 -6.376 -8.498 1.00 0.00 H new ATOM 177 N ASP A 16 -9.610 -9.138 -6.006 1.00 0.00 N ATOM 178 CA ASP A 16 -8.473 -8.239 -5.844 1.00 0.00 C ATOM 179 C ASP A 16 -8.858 -6.807 -6.202 1.00 0.00 C ATOM 180 O ASP A 16 -9.011 -6.470 -7.376 1.00 0.00 O ATOM 181 CB ASP A 16 -7.304 -8.699 -6.716 1.00 0.00 C ATOM 182 CG ASP A 16 -6.965 -10.161 -6.505 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.875 -11.006 -6.638 1.00 0.00 O ATOM 184 OD2 ASP A 16 -5.789 -10.461 -6.207 1.00 0.00 O ATOM 0 H ASP A 16 -9.514 -9.805 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.168 -8.264 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.550 -8.534 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.428 -8.090 -6.494 1.00 0.00 H new ATOM 189 N ILE A 17 -9.014 -5.969 -5.182 1.00 0.00 N ATOM 190 CA ILE A 17 -9.381 -4.574 -5.390 1.00 0.00 C ATOM 191 C ILE A 17 -8.594 -3.654 -4.462 1.00 0.00 C ATOM 192 O ILE A 17 -8.021 -4.100 -3.468 1.00 0.00 O ATOM 193 CB ILE A 17 -10.887 -4.348 -5.161 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.340 -5.046 -3.877 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.686 -4.851 -6.354 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.362 -4.135 -2.669 1.00 0.00 C ATOM 0 H ILE A 17 -8.892 -6.232 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.139 -4.335 -6.426 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.067 -3.278 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.338 -5.458 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.676 -5.886 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.748 -4.684 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.379 -4.313 -7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.504 -5.917 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.693 -4.697 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.361 -3.743 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.049 -3.308 -2.850 1.00 0.00 H new ATOM 208 N CYS A 18 -8.571 -2.368 -4.794 1.00 0.00 N ATOM 209 CA CYS A 18 -7.855 -1.384 -3.991 1.00 0.00 C ATOM 210 C CYS A 18 -7.995 -1.691 -2.502 1.00 0.00 C ATOM 211 O CYS A 18 -8.973 -2.304 -2.074 1.00 0.00 O ATOM 212 CB CYS A 18 -8.380 0.023 -4.284 1.00 0.00 C ATOM 213 SG CYS A 18 -7.298 1.360 -3.683 1.00 0.00 S ATOM 0 H CYS A 18 -9.040 -1.983 -5.614 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.799 -1.434 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.512 0.133 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.364 0.134 -3.829 1.00 0.00 H new ATOM 218 N ARG A 19 -7.010 -1.260 -1.720 1.00 0.00 N ATOM 219 CA ARG A 19 -7.023 -1.489 -0.280 1.00 0.00 C ATOM 220 C ARG A 19 -7.244 -0.183 0.476 1.00 0.00 C ATOM 221 O ARG A 19 -7.544 -0.189 1.671 1.00 0.00 O ATOM 222 CB ARG A 19 -5.709 -2.134 0.166 1.00 0.00 C ATOM 223 CG ARG A 19 -4.603 -1.131 0.448 1.00 0.00 C ATOM 224 CD ARG A 19 -3.425 -1.784 1.153 1.00 0.00 C ATOM 225 NE ARG A 19 -2.595 -0.806 1.852 1.00 0.00 N ATOM 226 CZ ARG A 19 -1.949 -1.066 2.984 1.00 0.00 C ATOM 227 NH1 ARG A 19 -2.037 -2.266 3.540 1.00 0.00 N ATOM 228 NH2 ARG A 19 -1.214 -0.124 3.561 1.00 0.00 N ATOM 0 H ARG A 19 -6.194 -0.751 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.848 -2.164 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.890 -2.724 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.373 -2.825 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.267 -0.686 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.993 -0.321 1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.793 -2.522 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.818 -2.320 0.424 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.506 0.127 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.601 -2.992 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.540 -2.463 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.144 0.801 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.719 -0.324 4.430 1.00 0.00 H new ATOM 242 N ILE A 20 -7.092 0.935 -0.226 1.00 0.00 N ATOM 243 CA ILE A 20 -7.276 2.248 0.379 1.00 0.00 C ATOM 244 C ILE A 20 -8.713 2.732 0.218 1.00 0.00 C ATOM 245 O ILE A 20 -9.308 3.267 1.153 1.00 0.00 O ATOM 246 CB ILE A 20 -6.323 3.289 -0.236 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.866 2.887 0.007 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.600 4.669 0.343 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.872 3.715 -0.777 1.00 0.00 C ATOM 0 H ILE A 20 -6.842 0.958 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.049 2.141 1.440 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.496 3.326 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.645 2.979 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.739 1.837 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.918 5.394 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.628 4.956 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.452 4.647 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.860 3.375 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.067 3.604 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.971 4.764 -0.497 1.00 0.00 H new ATOM 261 N CYS A 21 -9.266 2.539 -0.975 1.00 0.00 N ATOM 262 CA CYS A 21 -10.634 2.953 -1.261 1.00 0.00 C ATOM 263 C CYS A 21 -11.551 1.742 -1.403 1.00 0.00 C ATOM 264 O CYS A 21 -12.769 1.853 -1.262 1.00 0.00 O ATOM 265 CB CYS A 21 -10.678 3.794 -2.539 1.00 0.00 C ATOM 266 SG CYS A 21 -10.369 2.845 -4.063 1.00 0.00 S ATOM 0 H CYS A 21 -8.787 2.098 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.987 3.557 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.655 4.272 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.938 4.590 -2.463 1.00 0.00 H new ATOM 271 N HIS A 22 -10.957 0.587 -1.683 1.00 0.00 N ATOM 272 CA HIS A 22 -11.720 -0.646 -1.844 1.00 0.00 C ATOM 273 C HIS A 22 -12.677 -0.542 -3.027 1.00 0.00 C ATOM 274 O HIS A 22 -13.865 -0.844 -2.906 1.00 0.00 O ATOM 275 CB HIS A 22 -12.501 -0.957 -0.567 1.00 0.00 C ATOM 276 CG HIS A 22 -11.628 -1.188 0.628 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.783 -0.505 1.816 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.587 -2.032 0.814 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.874 -0.919 2.681 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.136 -1.846 2.098 1.00 0.00 N ATOM 0 H HIS A 22 -9.950 0.479 -1.803 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.018 -1.457 -2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.180 -0.131 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.116 -1.841 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.185 -2.723 0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.755 -0.560 3.693 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.358 -2.343 2.531 1.00 0.00 H new ATOM 288 N CYS A 23 -12.153 -0.112 -4.170 1.00 0.00 N ATOM 289 CA CYS A 23 -12.962 0.034 -5.375 1.00 0.00 C ATOM 290 C CYS A 23 -12.296 -0.653 -6.563 1.00 0.00 C ATOM 291 O CYS A 23 -11.079 -0.837 -6.583 1.00 0.00 O ATOM 292 CB CYS A 23 -13.189 1.514 -5.687 1.00 0.00 C ATOM 293 SG CYS A 23 -14.265 2.360 -4.506 1.00 0.00 S ATOM 0 H CYS A 23 -11.172 0.141 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.926 -0.443 -5.196 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.225 2.021 -5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.621 1.602 -6.684 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.788 2.218 -3.305 1.00 0.00 H new ATOM 299 N GLU A 24 -13.102 -1.029 -7.551 1.00 0.00 N ATOM 300 CA GLU A 24 -12.589 -1.697 -8.742 1.00 0.00 C ATOM 301 C GLU A 24 -11.444 -0.902 -9.362 1.00 0.00 C ATOM 302 O GLU A 24 -11.384 0.321 -9.237 1.00 0.00 O ATOM 303 CB GLU A 24 -13.708 -1.887 -9.768 1.00 0.00 C ATOM 304 CG GLU A 24 -14.476 -3.186 -9.599 1.00 0.00 C ATOM 305 CD GLU A 24 -15.472 -3.131 -8.456 1.00 0.00 C ATOM 306 OE1 GLU A 24 -16.079 -2.059 -8.251 1.00 0.00 O ATOM 307 OE2 GLU A 24 -15.643 -4.158 -7.767 1.00 0.00 O ATOM 0 H GLU A 24 -14.111 -0.883 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.209 -2.674 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.404 -1.051 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.280 -1.856 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.004 -3.415 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.772 -4.000 -9.424 1.00 0.00 H new ATOM 314 N GLY A 25 -10.536 -1.606 -10.031 1.00 0.00 N ATOM 315 CA GLY A 25 -9.405 -0.950 -10.660 1.00 0.00 C ATOM 316 C GLY A 25 -9.813 -0.103 -11.849 1.00 0.00 C ATOM 317 O GLY A 25 -10.474 -0.589 -12.767 1.00 0.00 O ATOM 0 H GLY A 25 -10.564 -2.619 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.900 -0.322 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.686 -1.703 -10.984 1.00 0.00 H new ATOM 321 N ASP A 26 -9.420 1.165 -11.833 1.00 0.00 N ATOM 322 CA ASP A 26 -9.749 2.082 -12.918 1.00 0.00 C ATOM 323 C ASP A 26 -8.732 1.972 -14.050 1.00 0.00 C ATOM 324 O ASP A 26 -7.635 1.447 -13.862 1.00 0.00 O ATOM 325 CB ASP A 26 -9.802 3.520 -12.401 1.00 0.00 C ATOM 326 CG ASP A 26 -10.470 3.623 -11.043 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.713 3.520 -10.984 1.00 0.00 O ATOM 328 OD2 ASP A 26 -9.749 3.806 -10.041 1.00 0.00 O ATOM 0 H ASP A 26 -8.873 1.582 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.730 1.808 -13.307 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.789 3.917 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.342 4.141 -13.116 1.00 0.00 H new ATOM 333 N ASP A 27 -9.105 2.470 -15.223 1.00 0.00 N ATOM 334 CA ASP A 27 -8.226 2.428 -16.386 1.00 0.00 C ATOM 335 C ASP A 27 -6.928 3.183 -16.113 1.00 0.00 C ATOM 336 O ASP A 27 -5.842 2.708 -16.444 1.00 0.00 O ATOM 337 CB ASP A 27 -8.929 3.024 -17.606 1.00 0.00 C ATOM 338 CG ASP A 27 -8.243 2.656 -18.907 1.00 0.00 C ATOM 339 OD1 ASP A 27 -7.201 3.268 -19.222 1.00 0.00 O ATOM 340 OD2 ASP A 27 -8.748 1.756 -19.609 1.00 0.00 O ATOM 0 H ASP A 27 -10.010 2.908 -15.394 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.984 1.385 -16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.962 2.676 -17.632 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.960 4.109 -17.509 1.00 0.00 H new ATOM 345 N GLU A 28 -7.050 4.361 -15.509 1.00 0.00 N ATOM 346 CA GLU A 28 -5.886 5.181 -15.194 1.00 0.00 C ATOM 347 C GLU A 28 -5.344 4.847 -13.807 1.00 0.00 C ATOM 348 O GLU A 28 -4.164 5.052 -13.523 1.00 0.00 O ATOM 349 CB GLU A 28 -6.246 6.666 -15.268 1.00 0.00 C ATOM 350 CG GLU A 28 -6.477 7.166 -16.685 1.00 0.00 C ATOM 351 CD GLU A 28 -5.358 6.775 -17.631 1.00 0.00 C ATOM 352 OE1 GLU A 28 -5.401 5.648 -18.168 1.00 0.00 O ATOM 353 OE2 GLU A 28 -4.440 7.596 -17.835 1.00 0.00 O ATOM 0 H GLU A 28 -7.942 4.768 -15.228 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.111 4.965 -15.930 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.145 6.843 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.446 7.249 -14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.420 6.766 -17.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.574 8.252 -16.672 1.00 0.00 H new ATOM 360 N SER A 29 -6.216 4.330 -12.946 1.00 0.00 N ATOM 361 CA SER A 29 -5.827 3.972 -11.587 1.00 0.00 C ATOM 362 C SER A 29 -6.083 2.491 -11.322 1.00 0.00 C ATOM 363 O SER A 29 -6.743 2.113 -10.353 1.00 0.00 O ATOM 364 CB SER A 29 -6.594 4.823 -10.573 1.00 0.00 C ATOM 365 OG SER A 29 -6.208 6.184 -10.655 1.00 0.00 O ATOM 0 H SER A 29 -7.196 4.150 -13.166 1.00 0.00 H new ATOM 0 HA SER A 29 -4.760 4.164 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.665 4.734 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.409 4.449 -9.566 1.00 0.00 H new ATOM 0 HG SER A 29 -6.713 6.707 -9.998 1.00 0.00 H new ATOM 371 N PRO A 30 -5.549 1.632 -12.202 1.00 0.00 N ATOM 372 CA PRO A 30 -5.705 0.179 -12.086 1.00 0.00 C ATOM 373 C PRO A 30 -4.928 -0.394 -10.906 1.00 0.00 C ATOM 374 O PRO A 30 -4.075 0.279 -10.325 1.00 0.00 O ATOM 375 CB PRO A 30 -5.138 -0.346 -13.407 1.00 0.00 C ATOM 376 CG PRO A 30 -4.180 0.704 -13.851 1.00 0.00 C ATOM 377 CD PRO A 30 -4.751 2.013 -13.380 1.00 0.00 C ATOM 0 HA PRO A 30 -6.742 -0.107 -11.909 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.639 -1.305 -13.270 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.927 -0.499 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.191 0.534 -13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.067 0.695 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.966 2.724 -13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.366 2.483 -14.148 1.00 0.00 H new ATOM 385 N LEU A 31 -5.226 -1.641 -10.557 1.00 0.00 N ATOM 386 CA LEU A 31 -4.554 -2.306 -9.446 1.00 0.00 C ATOM 387 C LEU A 31 -3.145 -2.738 -9.842 1.00 0.00 C ATOM 388 O LEU A 31 -2.968 -3.709 -10.578 1.00 0.00 O ATOM 389 CB LEU A 31 -5.363 -3.521 -8.988 1.00 0.00 C ATOM 390 CG LEU A 31 -6.834 -3.263 -8.663 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.559 -4.573 -8.395 1.00 0.00 C ATOM 392 CD2 LEU A 31 -6.961 -2.328 -7.469 1.00 0.00 C ATOM 0 H LEU A 31 -5.928 -2.212 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.478 -1.596 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.312 -4.281 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.884 -3.939 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.298 -2.784 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.605 -4.370 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.498 -5.210 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.094 -5.080 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.015 -2.156 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.481 -2.779 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.478 -1.378 -7.698 1.00 0.00 H new ATOM 404 N ILE A 32 -2.148 -2.013 -9.346 1.00 0.00 N ATOM 405 CA ILE A 32 -0.756 -2.324 -9.645 1.00 0.00 C ATOM 406 C ILE A 32 0.027 -2.621 -8.371 1.00 0.00 C ATOM 407 O ILE A 32 -0.369 -2.218 -7.277 1.00 0.00 O ATOM 408 CB ILE A 32 -0.071 -1.168 -10.397 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.326 0.159 -9.680 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.566 -1.104 -11.834 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.716 1.215 -9.974 1.00 0.00 C ATOM 0 H ILE A 32 -2.278 -1.206 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.760 -3.209 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 32 1.004 -1.350 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.306 0.537 -9.970 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.358 -0.019 -8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.073 -0.282 -12.352 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.337 -2.042 -12.340 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.644 -0.942 -11.841 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.471 2.129 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.696 0.857 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.733 1.421 -11.044 1.00 0.00 H new ATOM 423 N THR A 33 1.142 -3.330 -8.520 1.00 0.00 N ATOM 424 CA THR A 33 1.982 -3.681 -7.382 1.00 0.00 C ATOM 425 C THR A 33 2.940 -2.547 -7.034 1.00 0.00 C ATOM 426 O THR A 33 3.867 -2.235 -7.781 1.00 0.00 O ATOM 427 CB THR A 33 2.796 -4.959 -7.658 1.00 0.00 C ATOM 428 OG1 THR A 33 3.399 -4.885 -8.954 1.00 0.00 O ATOM 429 CG2 THR A 33 1.911 -6.193 -7.574 1.00 0.00 C ATOM 0 H THR A 33 1.484 -3.672 -9.418 1.00 0.00 H new ATOM 0 HA THR A 33 1.314 -3.859 -6.539 1.00 0.00 H new ATOM 0 HB THR A 33 3.575 -5.038 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.773 -3.989 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.508 -7.083 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.477 -6.262 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.113 -6.119 -8.313 1.00 0.00 H new ATOM 437 N PRO A 34 2.713 -1.915 -5.873 1.00 0.00 N ATOM 438 CA PRO A 34 3.547 -0.806 -5.400 1.00 0.00 C ATOM 439 C PRO A 34 4.942 -1.264 -4.991 1.00 0.00 C ATOM 440 O PRO A 34 5.923 -0.544 -5.179 1.00 0.00 O ATOM 441 CB PRO A 34 2.779 -0.278 -4.185 1.00 0.00 C ATOM 442 CG PRO A 34 1.983 -1.443 -3.705 1.00 0.00 C ATOM 443 CD PRO A 34 1.625 -2.234 -4.933 1.00 0.00 C ATOM 0 HA PRO A 34 3.710 -0.058 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.459 0.082 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.134 0.557 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.560 -2.048 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.087 -1.113 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.576 -3.302 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.653 -1.942 -5.330 1.00 0.00 H new ATOM 451 N CYS A 35 5.025 -2.466 -4.429 1.00 0.00 N ATOM 452 CA CYS A 35 6.301 -3.020 -3.993 1.00 0.00 C ATOM 453 C CYS A 35 6.300 -4.542 -4.109 1.00 0.00 C ATOM 454 O CYS A 35 5.331 -5.139 -4.578 1.00 0.00 O ATOM 455 CB CYS A 35 6.593 -2.608 -2.549 1.00 0.00 C ATOM 456 SG CYS A 35 5.341 -3.166 -1.349 1.00 0.00 S ATOM 0 H CYS A 35 4.223 -3.075 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 35 7.082 -2.623 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.564 -3.008 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.669 -1.522 -2.501 1.00 0.00 H new ATOM 461 N HIS A 36 7.394 -5.163 -3.678 1.00 0.00 N ATOM 462 CA HIS A 36 7.519 -6.615 -3.732 1.00 0.00 C ATOM 463 C HIS A 36 6.374 -7.288 -2.982 1.00 0.00 C ATOM 464 O HIS A 36 5.757 -8.228 -3.484 1.00 0.00 O ATOM 465 CB HIS A 36 8.859 -7.054 -3.141 1.00 0.00 C ATOM 466 CG HIS A 36 10.043 -6.612 -3.946 1.00 0.00 C ATOM 467 ND1 HIS A 36 11.027 -7.478 -4.375 1.00 0.00 N ATOM 468 CD2 HIS A 36 10.396 -5.387 -4.400 1.00 0.00 C ATOM 469 CE1 HIS A 36 11.935 -6.804 -5.057 1.00 0.00 C ATOM 470 NE2 HIS A 36 11.576 -5.533 -5.088 1.00 0.00 N ATOM 0 H HIS A 36 8.206 -4.684 -3.288 1.00 0.00 H new ATOM 0 HA HIS A 36 7.473 -6.920 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.949 -6.656 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.872 -8.141 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.852 -4.466 -4.250 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.821 -7.221 -5.512 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.091 -4.782 -5.548 1.00 0.00 H new ATOM 478 N CYS A 37 6.095 -6.802 -1.777 1.00 0.00 N ATOM 479 CA CYS A 37 5.025 -7.356 -0.957 1.00 0.00 C ATOM 480 C CYS A 37 3.875 -7.854 -1.827 1.00 0.00 C ATOM 481 O CYS A 37 3.291 -7.093 -2.599 1.00 0.00 O ATOM 482 CB CYS A 37 4.515 -6.305 0.031 1.00 0.00 C ATOM 483 SG CYS A 37 5.710 -5.866 1.333 1.00 0.00 S ATOM 0 H CYS A 37 6.596 -6.025 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 37 5.428 -8.202 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.247 -5.404 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.603 -6.675 0.500 1.00 0.00 H new ATOM 488 N THR A 38 3.554 -9.138 -1.697 1.00 0.00 N ATOM 489 CA THR A 38 2.475 -9.738 -2.471 1.00 0.00 C ATOM 490 C THR A 38 1.658 -10.703 -1.619 1.00 0.00 C ATOM 491 O THR A 38 2.078 -11.093 -0.530 1.00 0.00 O ATOM 492 CB THR A 38 3.017 -10.490 -3.701 1.00 0.00 C ATOM 493 OG1 THR A 38 1.935 -10.868 -4.560 1.00 0.00 O ATOM 494 CG2 THR A 38 3.792 -11.729 -3.279 1.00 0.00 C ATOM 0 H THR A 38 4.026 -9.782 -1.063 1.00 0.00 H new ATOM 0 HA THR A 38 1.835 -8.922 -2.806 1.00 0.00 H new ATOM 0 HB THR A 38 3.692 -9.824 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.288 -11.344 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.165 -12.244 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.632 -11.436 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.135 -12.396 -2.721 1.00 0.00 H new ATOM 502 N GLY A 39 0.488 -11.084 -2.122 1.00 0.00 N ATOM 503 CA GLY A 39 -0.370 -12.001 -1.393 1.00 0.00 C ATOM 504 C GLY A 39 -1.305 -11.285 -0.439 1.00 0.00 C ATOM 505 O GLY A 39 -1.495 -11.720 0.697 1.00 0.00 O ATOM 0 H GLY A 39 0.119 -10.774 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.957 -12.586 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.247 -12.704 -0.833 1.00 0.00 H new ATOM 509 N SER A 40 -1.890 -10.184 -0.899 1.00 0.00 N ATOM 510 CA SER A 40 -2.806 -9.404 -0.076 1.00 0.00 C ATOM 511 C SER A 40 -3.446 -8.283 -0.890 1.00 0.00 C ATOM 512 O SER A 40 -3.238 -8.181 -2.099 1.00 0.00 O ATOM 513 CB SER A 40 -2.069 -8.818 1.129 1.00 0.00 C ATOM 514 OG SER A 40 -2.982 -8.353 2.109 1.00 0.00 O ATOM 0 H SER A 40 -1.746 -9.812 -1.838 1.00 0.00 H new ATOM 0 HA SER A 40 -3.594 -10.069 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.418 -9.576 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.430 -7.997 0.804 1.00 0.00 H new ATOM 0 HG SER A 40 -2.486 -7.985 2.870 1.00 0.00 H new ATOM 520 N LEU A 41 -4.226 -7.444 -0.217 1.00 0.00 N ATOM 521 CA LEU A 41 -4.898 -6.329 -0.876 1.00 0.00 C ATOM 522 C LEU A 41 -3.893 -5.263 -1.303 1.00 0.00 C ATOM 523 O LEU A 41 -4.268 -4.226 -1.850 1.00 0.00 O ATOM 524 CB LEU A 41 -5.944 -5.715 0.057 1.00 0.00 C ATOM 525 CG LEU A 41 -7.165 -6.584 0.359 1.00 0.00 C ATOM 526 CD1 LEU A 41 -7.799 -7.082 -0.930 1.00 0.00 C ATOM 527 CD2 LEU A 41 -6.779 -7.754 1.253 1.00 0.00 C ATOM 0 H LEU A 41 -4.409 -7.514 0.784 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.395 -6.712 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.458 -5.465 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.289 -4.779 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.898 -5.975 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.666 -7.699 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.112 -6.230 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.073 -7.674 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.660 -8.362 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.027 -8.363 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.373 -7.376 2.191 1.00 0.00 H new ATOM 539 N HIS A 42 -2.615 -5.528 -1.052 1.00 0.00 N ATOM 540 CA HIS A 42 -1.556 -4.593 -1.413 1.00 0.00 C ATOM 541 C HIS A 42 -1.897 -3.859 -2.706 1.00 0.00 C ATOM 542 O HIS A 42 -1.511 -2.705 -2.897 1.00 0.00 O ATOM 543 CB HIS A 42 -0.226 -5.331 -1.567 1.00 0.00 C ATOM 544 CG HIS A 42 -0.116 -6.106 -2.844 1.00 0.00 C ATOM 545 ND1 HIS A 42 0.001 -7.479 -2.883 1.00 0.00 N ATOM 546 CD2 HIS A 42 -0.106 -5.692 -4.133 1.00 0.00 C ATOM 547 CE1 HIS A 42 0.079 -7.877 -4.141 1.00 0.00 C ATOM 548 NE2 HIS A 42 0.015 -6.811 -4.919 1.00 0.00 N ATOM 0 H HIS A 42 -2.288 -6.382 -0.600 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.465 -3.859 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.589 -4.609 -1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.098 -6.012 -0.726 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.024 -8.092 -2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.180 -4.671 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.178 -8.899 -4.476 1.00 0.00 H new ATOM 556 N PHE A 43 -2.621 -4.535 -3.591 1.00 0.00 N ATOM 557 CA PHE A 43 -3.012 -3.947 -4.867 1.00 0.00 C ATOM 558 C PHE A 43 -3.729 -2.617 -4.657 1.00 0.00 C ATOM 559 O PHE A 43 -4.948 -2.576 -4.488 1.00 0.00 O ATOM 560 CB PHE A 43 -3.916 -4.910 -5.640 1.00 0.00 C ATOM 561 CG PHE A 43 -3.623 -6.358 -5.367 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.450 -6.938 -5.820 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.521 -7.138 -4.656 1.00 0.00 C ATOM 564 CE1 PHE A 43 -2.178 -8.270 -5.570 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.255 -8.470 -4.403 1.00 0.00 C ATOM 566 CZ PHE A 43 -3.081 -9.037 -4.860 1.00 0.00 C ATOM 0 H PHE A 43 -2.949 -5.490 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.107 -3.764 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.955 -4.704 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.806 -4.721 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.740 -6.343 -6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.440 -6.699 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.260 -8.711 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.964 -9.067 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.870 -10.078 -4.663 1.00 0.00 H new ATOM 576 N VAL A 44 -2.964 -1.531 -4.667 1.00 0.00 N ATOM 577 CA VAL A 44 -3.524 -0.198 -4.478 1.00 0.00 C ATOM 578 C VAL A 44 -3.581 0.566 -5.796 1.00 0.00 C ATOM 579 O VAL A 44 -2.953 0.176 -6.780 1.00 0.00 O ATOM 580 CB VAL A 44 -2.705 0.616 -3.459 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.286 -0.260 -2.288 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.490 1.240 -4.130 1.00 0.00 C ATOM 0 H VAL A 44 -1.953 -1.548 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.536 -0.331 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.332 1.420 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.708 0.333 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.173 -0.655 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.676 -1.086 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.922 1.812 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.859 0.454 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.817 1.902 -4.931 1.00 0.00 H new ATOM 592 N HIS A 45 -4.338 1.659 -5.807 1.00 0.00 N ATOM 593 CA HIS A 45 -4.476 2.481 -7.005 1.00 0.00 C ATOM 594 C HIS A 45 -3.320 3.470 -7.121 1.00 0.00 C ATOM 595 O HIS A 45 -3.021 4.203 -6.179 1.00 0.00 O ATOM 596 CB HIS A 45 -5.806 3.234 -6.981 1.00 0.00 C ATOM 597 CG HIS A 45 -6.992 2.365 -7.269 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.293 2.776 -7.069 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.067 1.100 -7.745 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.117 1.802 -7.409 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.399 0.773 -7.823 1.00 0.00 N ATOM 0 H HIS A 45 -4.865 1.996 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.456 1.822 -7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.934 3.697 -6.003 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.771 4.041 -7.713 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.575 3.690 -6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.235 0.466 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.195 1.840 -7.357 1.00 0.00 H new ATOM 609 N GLN A 46 -2.674 3.483 -8.283 1.00 0.00 N ATOM 610 CA GLN A 46 -1.550 4.381 -8.521 1.00 0.00 C ATOM 611 C GLN A 46 -1.778 5.729 -7.846 1.00 0.00 C ATOM 612 O GLN A 46 -0.901 6.243 -7.152 1.00 0.00 O ATOM 613 CB GLN A 46 -1.338 4.579 -10.023 1.00 0.00 C ATOM 614 CG GLN A 46 -0.239 5.575 -10.356 1.00 0.00 C ATOM 615 CD GLN A 46 -0.451 6.253 -11.695 1.00 0.00 C ATOM 616 OE1 GLN A 46 -1.221 5.776 -12.530 1.00 0.00 O ATOM 617 NE2 GLN A 46 0.231 7.372 -11.907 1.00 0.00 N ATOM 0 H GLN A 46 -2.909 2.883 -9.073 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.657 3.927 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.096 3.618 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.272 4.917 -10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.191 6.332 -9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.722 5.061 -10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.858 7.731 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.128 7.873 -12.790 1.00 0.00 H new ATOM 626 N ALA A 47 -2.961 6.297 -8.054 1.00 0.00 N ATOM 627 CA ALA A 47 -3.305 7.585 -7.464 1.00 0.00 C ATOM 628 C ALA A 47 -3.450 7.474 -5.950 1.00 0.00 C ATOM 629 O ALA A 47 -2.703 8.101 -5.197 1.00 0.00 O ATOM 630 CB ALA A 47 -4.587 8.123 -8.081 1.00 0.00 C ATOM 0 H ALA A 47 -3.698 5.885 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.494 8.282 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.832 9.085 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.449 8.249 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.401 7.421 -7.900 1.00 0.00 H new ATOM 636 N CYS A 48 -4.415 6.674 -5.510 1.00 0.00 N ATOM 637 CA CYS A 48 -4.659 6.482 -4.085 1.00 0.00 C ATOM 638 C CYS A 48 -3.347 6.452 -3.308 1.00 0.00 C ATOM 639 O CYS A 48 -3.121 7.273 -2.417 1.00 0.00 O ATOM 640 CB CYS A 48 -5.433 5.183 -3.850 1.00 0.00 C ATOM 641 SG CYS A 48 -7.190 5.268 -4.325 1.00 0.00 S ATOM 0 H CYS A 48 -5.041 6.148 -6.120 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.254 7.322 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.954 4.381 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.365 4.918 -2.795 1.00 0.00 H new ATOM 646 N LEU A 49 -2.484 5.502 -3.650 1.00 0.00 N ATOM 647 CA LEU A 49 -1.193 5.365 -2.985 1.00 0.00 C ATOM 648 C LEU A 49 -0.565 6.731 -2.727 1.00 0.00 C ATOM 649 O LEU A 49 -0.121 7.021 -1.617 1.00 0.00 O ATOM 650 CB LEU A 49 -0.249 4.509 -3.831 1.00 0.00 C ATOM 651 CG LEU A 49 1.121 4.215 -3.219 1.00 0.00 C ATOM 652 CD1 LEU A 49 0.969 3.645 -1.818 1.00 0.00 C ATOM 653 CD2 LEU A 49 1.907 3.259 -4.105 1.00 0.00 C ATOM 0 H LEU A 49 -2.655 4.815 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.357 4.874 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.742 3.560 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.098 5.008 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 49 1.675 5.151 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.955 3.442 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.447 4.365 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.396 2.719 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.879 3.061 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.357 2.323 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.048 3.707 -5.089 1.00 0.00 H new ATOM 665 N GLN A 50 -0.534 7.567 -3.761 1.00 0.00 N ATOM 666 CA GLN A 50 0.038 8.903 -3.645 1.00 0.00 C ATOM 667 C GLN A 50 -0.522 9.632 -2.428 1.00 0.00 C ATOM 668 O GLN A 50 0.228 10.078 -1.561 1.00 0.00 O ATOM 669 CB GLN A 50 -0.242 9.712 -4.913 1.00 0.00 C ATOM 670 CG GLN A 50 0.318 9.077 -6.176 1.00 0.00 C ATOM 671 CD GLN A 50 -0.269 9.675 -7.439 1.00 0.00 C ATOM 672 OE1 GLN A 50 -0.556 8.963 -8.402 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.452 10.990 -7.442 1.00 0.00 N ATOM 0 H GLN A 50 -0.898 7.342 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 50 1.116 8.800 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.319 9.835 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.183 10.709 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.401 9.199 -6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.118 8.006 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.200 11.542 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.845 11.448 -8.264 1.00 0.00 H new ATOM 682 N GLN A 51 -1.845 9.748 -2.372 1.00 0.00 N ATOM 683 CA GLN A 51 -2.505 10.424 -1.261 1.00 0.00 C ATOM 684 C GLN A 51 -2.035 9.860 0.076 1.00 0.00 C ATOM 685 O GLN A 51 -1.725 10.610 1.001 1.00 0.00 O ATOM 686 CB GLN A 51 -4.024 10.283 -1.382 1.00 0.00 C ATOM 687 CG GLN A 51 -4.595 10.910 -2.643 1.00 0.00 C ATOM 688 CD GLN A 51 -6.108 10.837 -2.699 1.00 0.00 C ATOM 689 OE1 GLN A 51 -6.748 10.295 -1.797 1.00 0.00 O ATOM 690 NE2 GLN A 51 -6.689 11.382 -3.760 1.00 0.00 N ATOM 0 H GLN A 51 -2.480 9.383 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.240 11.481 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.285 9.225 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.494 10.743 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.283 11.953 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.178 10.406 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.120 11.821 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.705 11.362 -3.852 1.00 0.00 H new ATOM 699 N TRP A 52 -1.986 8.537 0.170 1.00 0.00 N ATOM 700 CA TRP A 52 -1.554 7.873 1.394 1.00 0.00 C ATOM 701 C TRP A 52 -0.104 8.217 1.718 1.00 0.00 C ATOM 702 O TRP A 52 0.254 8.406 2.881 1.00 0.00 O ATOM 703 CB TRP A 52 -1.714 6.358 1.261 1.00 0.00 C ATOM 704 CG TRP A 52 -1.032 5.590 2.354 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.601 5.116 3.500 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.348 5.211 2.402 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.658 4.464 4.259 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.545 4.508 3.606 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.436 5.395 1.544 1.00 0.00 C ATOM 710 CZ2 TRP A 52 1.785 3.992 3.972 1.00 0.00 C ATOM 711 CZ3 TRP A 52 2.666 4.882 1.909 1.00 0.00 C ATOM 712 CH2 TRP A 52 2.833 4.187 3.113 1.00 0.00 C ATOM 0 H TRP A 52 -2.240 7.902 -0.587 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.183 8.227 2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.776 6.111 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.313 6.041 0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.640 5.235 3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.827 4.020 5.162 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.317 5.929 0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.916 3.457 4.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.514 5.020 1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.807 3.797 3.369 1.00 0.00 H new ATOM 723 N ILE A 53 0.725 8.299 0.683 1.00 0.00 N ATOM 724 CA ILE A 53 2.136 8.622 0.858 1.00 0.00 C ATOM 725 C ILE A 53 2.309 9.973 1.544 1.00 0.00 C ATOM 726 O ILE A 53 3.277 10.193 2.271 1.00 0.00 O ATOM 727 CB ILE A 53 2.880 8.644 -0.490 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.113 7.217 -0.992 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.201 9.386 -0.353 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.754 7.156 -2.361 1.00 0.00 C ATOM 0 H ILE A 53 0.444 8.146 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 53 2.563 7.841 1.486 1.00 0.00 H new ATOM 0 HB ILE A 53 2.265 9.170 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.746 6.688 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.159 6.691 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.716 9.393 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.011 10.411 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.824 8.886 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.889 6.115 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.112 7.656 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.723 7.653 -2.331 1.00 0.00 H new ATOM 742 N LYS A 54 1.362 10.875 1.309 1.00 0.00 N ATOM 743 CA LYS A 54 1.406 12.205 1.905 1.00 0.00 C ATOM 744 C LYS A 54 1.246 12.127 3.420 1.00 0.00 C ATOM 745 O LYS A 54 1.991 12.762 4.166 1.00 0.00 O ATOM 746 CB LYS A 54 0.309 13.090 1.310 1.00 0.00 C ATOM 747 CG LYS A 54 0.216 13.008 -0.204 1.00 0.00 C ATOM 748 CD LYS A 54 1.491 13.498 -0.869 1.00 0.00 C ATOM 749 CE LYS A 54 1.639 15.007 -0.748 1.00 0.00 C ATOM 750 NZ LYS A 54 0.585 15.730 -1.513 1.00 0.00 N ATOM 0 H LYS A 54 0.554 10.709 0.709 1.00 0.00 H new ATOM 0 HA LYS A 54 2.378 12.644 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.651 12.804 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.492 14.125 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.022 11.978 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.628 13.604 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.352 13.009 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.485 13.215 -1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.587 15.294 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.622 15.306 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.873 16.720 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.456 15.276 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.310 15.699 -0.985 1.00 0.00 H new ATOM 764 N SER A 55 0.269 11.344 3.868 1.00 0.00 N ATOM 765 CA SER A 55 0.010 11.185 5.294 1.00 0.00 C ATOM 766 C SER A 55 1.108 10.359 5.957 1.00 0.00 C ATOM 767 O SER A 55 1.863 10.863 6.788 1.00 0.00 O ATOM 768 CB SER A 55 -1.350 10.519 5.515 1.00 0.00 C ATOM 769 OG SER A 55 -2.382 11.486 5.611 1.00 0.00 O ATOM 0 H SER A 55 -0.356 10.810 3.264 1.00 0.00 H new ATOM 0 HA SER A 55 0.000 12.175 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.562 9.837 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.322 9.921 6.426 1.00 0.00 H new ATOM 0 HG SER A 55 -3.241 11.035 5.750 1.00 0.00 H new ATOM 775 N SER A 56 1.189 9.086 5.584 1.00 0.00 N ATOM 776 CA SER A 56 2.191 8.188 6.144 1.00 0.00 C ATOM 777 C SER A 56 3.595 8.757 5.961 1.00 0.00 C ATOM 778 O SER A 56 4.551 8.294 6.583 1.00 0.00 O ATOM 779 CB SER A 56 2.098 6.810 5.486 1.00 0.00 C ATOM 780 OG SER A 56 2.504 5.788 6.380 1.00 0.00 O ATOM 0 H SER A 56 0.572 8.653 4.896 1.00 0.00 H new ATOM 0 HA SER A 56 1.995 8.087 7.211 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.074 6.627 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.724 6.787 4.594 1.00 0.00 H new ATOM 0 HG SER A 56 2.493 4.925 5.917 1.00 0.00 H new ATOM 786 N ASP A 57 3.710 9.765 5.103 1.00 0.00 N ATOM 787 CA ASP A 57 4.996 10.399 4.837 1.00 0.00 C ATOM 788 C ASP A 57 6.081 9.353 4.604 1.00 0.00 C ATOM 789 O ASP A 57 7.234 9.541 4.992 1.00 0.00 O ATOM 790 CB ASP A 57 5.389 11.310 6.001 1.00 0.00 C ATOM 791 CG ASP A 57 5.678 10.534 7.271 1.00 0.00 C ATOM 792 OD1 ASP A 57 6.757 9.912 7.354 1.00 0.00 O ATOM 793 OD2 ASP A 57 4.824 10.550 8.182 1.00 0.00 O ATOM 0 H ASP A 57 2.929 10.160 4.580 1.00 0.00 H new ATOM 0 HA ASP A 57 4.897 10.999 3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.270 11.889 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.585 12.022 6.189 1.00 0.00 H new ATOM 798 N THR A 58 5.703 8.247 3.970 1.00 0.00 N ATOM 799 CA THR A 58 6.643 7.169 3.687 1.00 0.00 C ATOM 800 C THR A 58 6.580 6.756 2.221 1.00 0.00 C ATOM 801 O THR A 58 5.930 5.771 1.872 1.00 0.00 O ATOM 802 CB THR A 58 6.365 5.937 4.569 1.00 0.00 C ATOM 803 OG1 THR A 58 6.602 6.256 5.945 1.00 0.00 O ATOM 804 CG2 THR A 58 7.245 4.767 4.155 1.00 0.00 C ATOM 0 H THR A 58 4.752 8.074 3.643 1.00 0.00 H new ATOM 0 HA THR A 58 7.639 7.550 3.911 1.00 0.00 H new ATOM 0 HB THR A 58 5.321 5.651 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.958 6.934 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.032 3.908 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.041 4.508 3.116 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.294 5.045 4.261 1.00 0.00 H new ATOM 812 N ARG A 59 7.261 7.514 1.368 1.00 0.00 N ATOM 813 CA ARG A 59 7.283 7.226 -0.061 1.00 0.00 C ATOM 814 C ARG A 59 7.512 5.738 -0.312 1.00 0.00 C ATOM 815 O ARG A 59 6.907 5.149 -1.209 1.00 0.00 O ATOM 816 CB ARG A 59 8.374 8.045 -0.752 1.00 0.00 C ATOM 817 CG ARG A 59 8.299 9.533 -0.454 1.00 0.00 C ATOM 818 CD ARG A 59 8.973 10.354 -1.543 1.00 0.00 C ATOM 819 NE ARG A 59 8.988 11.779 -1.224 1.00 0.00 N ATOM 820 CZ ARG A 59 9.860 12.638 -1.741 1.00 0.00 C ATOM 821 NH1 ARG A 59 10.781 12.219 -2.597 1.00 0.00 N ATOM 822 NH2 ARG A 59 9.810 13.920 -1.402 1.00 0.00 N ATOM 0 H ARG A 59 7.805 8.332 1.642 1.00 0.00 H new ATOM 0 HA ARG A 59 6.314 7.502 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.349 7.670 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.302 7.895 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.256 9.835 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.775 9.738 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.996 10.003 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.452 10.200 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 59 8.291 12.134 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.822 11.235 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.449 12.881 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.102 14.246 -0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.480 14.579 -1.799 1.00 0.00 H new ATOM 836 N CYS A 60 8.389 5.137 0.485 1.00 0.00 N ATOM 837 CA CYS A 60 8.699 3.719 0.348 1.00 0.00 C ATOM 838 C CYS A 60 7.758 2.872 1.199 1.00 0.00 C ATOM 839 O CYS A 60 6.828 3.389 1.818 1.00 0.00 O ATOM 840 CB CYS A 60 10.150 3.452 0.750 1.00 0.00 C ATOM 841 SG CYS A 60 11.342 4.596 0.016 1.00 0.00 S ATOM 0 H CYS A 60 8.897 5.610 1.232 1.00 0.00 H new ATOM 0 HA CYS A 60 8.563 3.442 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.231 3.507 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.414 2.435 0.462 1.00 0.00 H new ATOM 0 HG CYS A 60 12.540 4.291 0.417 1.00 0.00 H new ATOM 847 N CYS A 61 8.006 1.566 1.225 1.00 0.00 N ATOM 848 CA CYS A 61 7.181 0.646 1.998 1.00 0.00 C ATOM 849 C CYS A 61 7.515 0.734 3.485 1.00 0.00 C ATOM 850 O CYS A 61 8.506 1.351 3.872 1.00 0.00 O ATOM 851 CB CYS A 61 7.379 -0.788 1.503 1.00 0.00 C ATOM 852 SG CYS A 61 6.093 -1.951 2.062 1.00 0.00 S ATOM 0 H CYS A 61 8.772 1.122 0.719 1.00 0.00 H new ATOM 0 HA CYS A 61 6.138 0.930 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.402 -0.785 0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.351 -1.147 1.842 1.00 0.00 H new ATOM 857 N GLU A 62 6.680 0.111 4.311 1.00 0.00 N ATOM 858 CA GLU A 62 6.887 0.120 5.754 1.00 0.00 C ATOM 859 C GLU A 62 7.544 -1.177 6.217 1.00 0.00 C ATOM 860 O GLU A 62 8.230 -1.208 7.240 1.00 0.00 O ATOM 861 CB GLU A 62 5.555 0.317 6.481 1.00 0.00 C ATOM 862 CG GLU A 62 5.644 0.103 7.983 1.00 0.00 C ATOM 863 CD GLU A 62 4.537 0.812 8.740 1.00 0.00 C ATOM 864 OE1 GLU A 62 4.574 2.058 8.813 1.00 0.00 O ATOM 865 OE2 GLU A 62 3.636 0.121 9.259 1.00 0.00 O ATOM 0 H GLU A 62 5.855 -0.406 4.006 1.00 0.00 H new ATOM 0 HA GLU A 62 7.551 0.950 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.191 1.326 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.819 -0.373 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.599 -0.965 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.610 0.460 8.341 1.00 0.00 H new ATOM 872 N LEU A 63 7.330 -2.246 5.458 1.00 0.00 N ATOM 873 CA LEU A 63 7.901 -3.547 5.789 1.00 0.00 C ATOM 874 C LEU A 63 9.190 -3.790 5.011 1.00 0.00 C ATOM 875 O LEU A 63 10.267 -3.912 5.596 1.00 0.00 O ATOM 876 CB LEU A 63 6.894 -4.659 5.490 1.00 0.00 C ATOM 877 CG LEU A 63 5.506 -4.492 6.109 1.00 0.00 C ATOM 878 CD1 LEU A 63 4.505 -5.415 5.432 1.00 0.00 C ATOM 879 CD2 LEU A 63 5.554 -4.760 7.607 1.00 0.00 C ATOM 0 H LEU A 63 6.765 -2.238 4.609 1.00 0.00 H new ATOM 0 HA LEU A 63 8.134 -3.553 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.781 -4.738 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.313 -5.604 5.836 1.00 0.00 H new ATOM 0 HG LEU A 63 5.182 -3.463 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.523 -5.282 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.449 -5.175 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.824 -6.450 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.557 -4.637 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.900 -5.779 7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.239 -4.057 8.081 1.00 0.00 H new ATOM 891 N CYS A 64 9.073 -3.857 3.689 1.00 0.00 N ATOM 892 CA CYS A 64 10.229 -4.084 2.830 1.00 0.00 C ATOM 893 C CYS A 64 11.004 -2.788 2.607 1.00 0.00 C ATOM 894 O CYS A 64 12.141 -2.804 2.136 1.00 0.00 O ATOM 895 CB CYS A 64 9.785 -4.662 1.485 1.00 0.00 C ATOM 896 SG CYS A 64 8.814 -3.508 0.463 1.00 0.00 S ATOM 0 H CYS A 64 8.189 -3.757 3.189 1.00 0.00 H new ATOM 0 HA CYS A 64 10.885 -4.799 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.668 -4.971 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.192 -5.558 1.665 1.00 0.00 H new ATOM 901 N LYS A 65 10.380 -1.666 2.950 1.00 0.00 N ATOM 902 CA LYS A 65 11.010 -0.361 2.791 1.00 0.00 C ATOM 903 C LYS A 65 11.499 -0.164 1.360 1.00 0.00 C ATOM 904 O LYS A 65 12.657 0.185 1.132 1.00 0.00 O ATOM 905 CB LYS A 65 12.180 -0.213 3.766 1.00 0.00 C ATOM 906 CG LYS A 65 11.752 -0.116 5.220 1.00 0.00 C ATOM 907 CD LYS A 65 11.300 -1.463 5.759 1.00 0.00 C ATOM 908 CE LYS A 65 11.558 -1.579 7.254 1.00 0.00 C ATOM 909 NZ LYS A 65 10.681 -2.601 7.890 1.00 0.00 N ATOM 0 H LYS A 65 9.438 -1.635 3.340 1.00 0.00 H new ATOM 0 HA LYS A 65 10.264 0.403 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.849 -1.065 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.750 0.678 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.582 0.257 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.940 0.606 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.237 -1.598 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.826 -2.261 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.603 -1.841 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.391 -0.612 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.085 -2.884 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.733 -2.200 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.611 -3.433 7.270 1.00 0.00 H new ATOM 923 N TYR A 66 10.609 -0.389 0.399 1.00 0.00 N ATOM 924 CA TYR A 66 10.951 -0.237 -1.010 1.00 0.00 C ATOM 925 C TYR A 66 10.116 0.864 -1.658 1.00 0.00 C ATOM 926 O TYR A 66 8.895 0.900 -1.511 1.00 0.00 O ATOM 927 CB TYR A 66 10.738 -1.557 -1.753 1.00 0.00 C ATOM 928 CG TYR A 66 10.680 -1.403 -3.256 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.841 -1.395 -4.019 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.464 -1.264 -3.914 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.793 -1.254 -5.392 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.406 -1.124 -5.287 1.00 0.00 C ATOM 933 CZ TYR A 66 10.573 -1.120 -6.022 1.00 0.00 C ATOM 934 OH TYR A 66 10.520 -0.979 -7.389 1.00 0.00 O ATOM 0 H TYR A 66 9.646 -0.677 0.571 1.00 0.00 H new ATOM 0 HA TYR A 66 12.002 0.044 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.546 -2.243 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.811 -2.014 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.798 -1.501 -3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.548 -1.265 -3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.706 -1.249 -5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.452 -1.018 -5.782 1.00 0.00 H new ATOM 0 HH TYR A 66 9.586 -0.897 -7.673 1.00 0.00 H new ATOM 944 N GLU A 67 10.786 1.761 -2.375 1.00 0.00 N ATOM 945 CA GLU A 67 10.107 2.863 -3.045 1.00 0.00 C ATOM 946 C GLU A 67 8.879 2.366 -3.804 1.00 0.00 C ATOM 947 O GLU A 67 8.812 1.203 -4.203 1.00 0.00 O ATOM 948 CB GLU A 67 11.063 3.571 -4.009 1.00 0.00 C ATOM 949 CG GLU A 67 11.768 4.769 -3.396 1.00 0.00 C ATOM 950 CD GLU A 67 12.699 5.460 -4.373 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.612 4.789 -4.898 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.515 6.672 -4.612 1.00 0.00 O ATOM 0 H GLU A 67 11.797 1.746 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 67 9.780 3.570 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.811 2.858 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.505 3.898 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.024 5.482 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.337 4.444 -2.525 1.00 0.00 H new ATOM 959 N PHE A 68 7.911 3.255 -3.998 1.00 0.00 N ATOM 960 CA PHE A 68 6.684 2.907 -4.706 1.00 0.00 C ATOM 961 C PHE A 68 6.704 3.457 -6.129 1.00 0.00 C ATOM 962 O PHE A 68 7.574 4.251 -6.487 1.00 0.00 O ATOM 963 CB PHE A 68 5.466 3.446 -3.955 1.00 0.00 C ATOM 964 CG PHE A 68 5.194 2.733 -2.662 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.252 1.350 -2.593 1.00 0.00 C ATOM 966 CD2 PHE A 68 4.879 3.444 -1.515 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.003 0.690 -1.404 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.630 2.789 -0.324 1.00 0.00 C ATOM 969 CZ PHE A 68 4.690 1.411 -0.269 1.00 0.00 C ATOM 0 H PHE A 68 7.952 4.222 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 68 6.618 1.820 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.615 4.506 -3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.589 3.365 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.495 0.781 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.828 4.522 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.053 -0.388 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.389 3.355 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.492 0.898 0.660 1.00 0.00 H new ATOM 979 N ILE A 69 5.738 3.029 -6.936 1.00 0.00 N ATOM 980 CA ILE A 69 5.644 3.478 -8.319 1.00 0.00 C ATOM 981 C ILE A 69 5.183 4.930 -8.395 1.00 0.00 C ATOM 982 O ILE A 69 4.001 5.207 -8.594 1.00 0.00 O ATOM 983 CB ILE A 69 4.674 2.601 -9.131 1.00 0.00 C ATOM 984 CG1 ILE A 69 5.127 1.139 -9.101 1.00 0.00 C ATOM 985 CG2 ILE A 69 4.579 3.102 -10.564 1.00 0.00 C ATOM 986 CD1 ILE A 69 6.477 0.912 -9.744 1.00 0.00 C ATOM 0 H ILE A 69 5.010 2.372 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 69 6.643 3.393 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 69 3.684 2.665 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.165 0.800 -8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.383 0.526 -9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.889 2.471 -11.125 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.215 4.129 -10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.564 3.065 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.734 -0.146 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.439 1.220 -10.789 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.232 1.498 -9.221 1.00 0.00 H new ATOM 998 N MET A 70 6.126 5.853 -8.236 1.00 0.00 N ATOM 999 CA MET A 70 5.817 7.278 -8.289 1.00 0.00 C ATOM 1000 C MET A 70 6.293 7.888 -9.604 1.00 0.00 C ATOM 1001 O MET A 70 5.781 8.918 -10.041 1.00 0.00 O ATOM 1002 CB MET A 70 6.464 8.007 -7.111 1.00 0.00 C ATOM 1003 CG MET A 70 6.156 9.495 -7.073 1.00 0.00 C ATOM 1004 SD MET A 70 4.390 9.836 -6.949 1.00 0.00 S ATOM 1005 CE MET A 70 4.059 9.305 -5.271 1.00 0.00 C ATOM 0 H MET A 70 7.110 5.640 -8.070 1.00 0.00 H new ATOM 0 HA MET A 70 4.735 7.392 -8.226 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.125 7.550 -6.181 1.00 0.00 H new ATOM 0 HB3 MET A 70 7.544 7.869 -7.158 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.670 9.947 -6.224 1.00 0.00 H new ATOM 0 HG3 MET A 70 6.551 9.967 -7.973 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.205 9.856 -4.877 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.837 8.238 -5.264 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.933 9.498 -4.649 1.00 0.00 H new ATOM 1015 N GLU A 71 7.275 7.246 -10.228 1.00 0.00 N ATOM 1016 CA GLU A 71 7.820 7.728 -11.492 1.00 0.00 C ATOM 1017 C GLU A 71 8.566 9.045 -11.295 1.00 0.00 C ATOM 1018 O GLU A 71 8.418 9.980 -12.083 1.00 0.00 O ATOM 1019 CB GLU A 71 6.701 7.911 -12.518 1.00 0.00 C ATOM 1020 CG GLU A 71 7.154 7.713 -13.955 1.00 0.00 C ATOM 1021 CD GLU A 71 8.188 8.736 -14.387 1.00 0.00 C ATOM 1022 OE1 GLU A 71 7.823 9.921 -14.534 1.00 0.00 O ATOM 1023 OE2 GLU A 71 9.360 8.351 -14.578 1.00 0.00 O ATOM 0 H GLU A 71 7.709 6.391 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 71 8.524 6.983 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.899 7.206 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.283 8.912 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.570 6.712 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.290 7.774 -14.616 1.00 0.00 H new ATOM 1030 N THR A 72 9.369 9.112 -10.238 1.00 0.00 N ATOM 1031 CA THR A 72 10.137 10.313 -9.935 1.00 0.00 C ATOM 1032 C THR A 72 10.635 10.982 -11.211 1.00 0.00 C ATOM 1033 O THR A 72 11.451 10.420 -11.942 1.00 0.00 O ATOM 1034 CB THR A 72 11.342 9.996 -9.031 1.00 0.00 C ATOM 1035 OG1 THR A 72 12.169 9.001 -9.646 1.00 0.00 O ATOM 1036 CG2 THR A 72 10.881 9.507 -7.666 1.00 0.00 C ATOM 0 H THR A 72 9.504 8.347 -9.577 1.00 0.00 H new ATOM 0 HA THR A 72 9.467 10.993 -9.409 1.00 0.00 H new ATOM 0 HB THR A 72 11.917 10.912 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.235 9.179 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.750 9.289 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.277 10.278 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.285 8.602 -7.786 1.00 0.00 H new ATOM 1044 N LYS A 73 10.139 12.187 -11.474 1.00 0.00 N ATOM 1045 CA LYS A 73 10.536 12.935 -12.661 1.00 0.00 C ATOM 1046 C LYS A 73 10.181 14.411 -12.517 1.00 0.00 C ATOM 1047 O LYS A 73 9.118 14.758 -12.000 1.00 0.00 O ATOM 1048 CB LYS A 73 9.857 12.356 -13.905 1.00 0.00 C ATOM 1049 CG LYS A 73 10.366 12.947 -15.207 1.00 0.00 C ATOM 1050 CD LYS A 73 9.316 12.870 -16.303 1.00 0.00 C ATOM 1051 CE LYS A 73 9.391 11.550 -17.054 1.00 0.00 C ATOM 1052 NZ LYS A 73 8.220 11.356 -17.954 1.00 0.00 N ATOM 0 H LYS A 73 9.461 12.666 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 73 11.617 12.848 -12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.009 11.277 -13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.783 12.526 -13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.652 13.987 -15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.263 12.414 -15.523 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.324 12.986 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.456 13.695 -17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.309 11.518 -17.641 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.440 10.728 -16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.309 10.445 -18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.345 11.361 -17.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.187 12.126 -18.652 1.00 0.00 H new ATOM 1066 N LEU A 74 11.076 15.278 -12.979 1.00 0.00 N ATOM 1067 CA LEU A 74 10.857 16.718 -12.903 1.00 0.00 C ATOM 1068 C LEU A 74 10.826 17.338 -14.296 1.00 0.00 C ATOM 1069 O LEU A 74 11.867 17.545 -14.918 1.00 0.00 O ATOM 1070 CB LEU A 74 11.953 17.377 -12.063 1.00 0.00 C ATOM 1071 CG LEU A 74 11.652 18.786 -11.553 1.00 0.00 C ATOM 1072 CD1 LEU A 74 10.549 18.751 -10.506 1.00 0.00 C ATOM 1073 CD2 LEU A 74 12.909 19.428 -10.984 1.00 0.00 C ATOM 0 H LEU A 74 11.960 15.008 -13.410 1.00 0.00 H new ATOM 0 HA LEU A 74 9.891 16.889 -12.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.159 16.738 -11.204 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.866 17.415 -12.658 1.00 0.00 H new ATOM 0 HG LEU A 74 11.308 19.389 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.349 19.763 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.643 18.333 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.864 18.131 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.675 20.431 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.283 18.825 -10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.670 19.489 -11.762 1.00 0.00 H new ATOM 1085 N SER A 75 9.623 17.635 -14.779 1.00 0.00 N ATOM 1086 CA SER A 75 9.456 18.231 -16.099 1.00 0.00 C ATOM 1087 C SER A 75 9.156 19.723 -15.988 1.00 0.00 C ATOM 1088 O SER A 75 9.899 20.557 -16.503 1.00 0.00 O ATOM 1089 CB SER A 75 8.330 17.528 -16.860 1.00 0.00 C ATOM 1090 OG SER A 75 7.108 17.603 -16.146 1.00 0.00 O ATOM 0 H SER A 75 8.751 17.473 -14.276 1.00 0.00 H new ATOM 0 HA SER A 75 10.389 18.106 -16.648 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.210 17.985 -17.842 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.595 16.484 -17.025 1.00 0.00 H new ATOM 0 HG SER A 75 6.404 17.148 -16.654 1.00 0.00 H new ATOM 1096 N GLY A 76 8.059 20.050 -15.311 1.00 0.00 N ATOM 1097 CA GLY A 76 7.679 21.441 -15.144 1.00 0.00 C ATOM 1098 C GLY A 76 7.033 21.708 -13.799 1.00 0.00 C ATOM 1099 O GLY A 76 5.814 21.842 -13.687 1.00 0.00 O ATOM 0 H GLY A 76 7.428 19.377 -14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.562 22.071 -15.251 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.988 21.723 -15.938 1.00 0.00 H new ATOM 1103 N PRO A 77 7.860 21.786 -12.746 1.00 0.00 N ATOM 1104 CA PRO A 77 7.384 22.038 -11.382 1.00 0.00 C ATOM 1105 C PRO A 77 6.864 23.459 -11.203 1.00 0.00 C ATOM 1106 O PRO A 77 7.642 24.405 -11.082 1.00 0.00 O ATOM 1107 CB PRO A 77 8.632 21.813 -10.524 1.00 0.00 C ATOM 1108 CG PRO A 77 9.775 22.079 -11.442 1.00 0.00 C ATOM 1109 CD PRO A 77 9.324 21.635 -12.806 1.00 0.00 C ATOM 0 HA PRO A 77 6.546 21.394 -11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.649 22.485 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.666 20.796 -10.134 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.036 23.137 -11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.663 21.531 -11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.760 22.250 -13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.614 20.604 -13.010 1.00 0.00 H new ATOM 1117 N SER A 78 5.542 23.603 -11.187 1.00 0.00 N ATOM 1118 CA SER A 78 4.918 24.911 -11.026 1.00 0.00 C ATOM 1119 C SER A 78 4.494 25.136 -9.578 1.00 0.00 C ATOM 1120 O SER A 78 3.803 24.307 -8.986 1.00 0.00 O ATOM 1121 CB SER A 78 3.705 25.038 -11.950 1.00 0.00 C ATOM 1122 OG SER A 78 2.903 26.149 -11.590 1.00 0.00 O ATOM 0 H SER A 78 4.883 22.830 -11.284 1.00 0.00 H new ATOM 0 HA SER A 78 5.651 25.672 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.040 25.146 -12.982 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.110 24.126 -11.902 1.00 0.00 H new ATOM 0 HG SER A 78 2.136 26.209 -12.197 1.00 0.00 H new ATOM 1128 N SER A 79 4.914 26.264 -9.014 1.00 0.00 N ATOM 1129 CA SER A 79 4.582 26.598 -7.633 1.00 0.00 C ATOM 1130 C SER A 79 3.070 26.623 -7.429 1.00 0.00 C ATOM 1131 O SER A 79 2.329 27.149 -8.258 1.00 0.00 O ATOM 1132 CB SER A 79 5.181 27.954 -7.256 1.00 0.00 C ATOM 1133 OG SER A 79 5.251 28.107 -5.849 1.00 0.00 O ATOM 0 H SER A 79 5.484 26.962 -9.491 1.00 0.00 H new ATOM 0 HA SER A 79 5.006 25.829 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.179 28.046 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.575 28.754 -7.682 1.00 0.00 H new ATOM 0 HG SER A 79 5.639 28.981 -5.634 1.00 0.00 H new ATOM 1139 N GLY A 80 2.620 26.048 -6.318 1.00 0.00 N ATOM 1140 CA GLY A 80 1.199 26.014 -6.023 1.00 0.00 C ATOM 1141 C GLY A 80 0.916 25.699 -4.568 1.00 0.00 C ATOM 1142 O GLY A 80 1.609 24.863 -3.990 1.00 0.00 O ATOM 0 H GLY A 80 3.214 25.605 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.756 26.977 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.718 25.266 -6.654 1.00 0.00 H new TER 1146 GLY A 80 HETATM 1147 ZN ZN A 201 -8.193 3.224 -4.787 1.00 0.00 ZN HETATM 1148 ZN ZN A 401 6.496 -3.788 0.621 1.00 0.00 ZN