USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 398 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 27 SER OG : rot 145:sc= 2.45 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 1.03 USER MOD Set 1.3: A 52 LYS NZ :NH3+ -97:sc= 0.0464! (180deg=-2.13) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -162:sc= 2.02 (180deg=0.326) USER MOD Set 2.2: A 45 SER OG : rot -155:sc= 0.909 USER MOD Set 3.1: A 1 GLN N :NH3+ 179:sc= 1.37 (180deg=1.13) USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 1 GLN : amide:sc= 0.473 K(o=0.47,f=-6.4!) USER MOD Single : A 4 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.016) USER MOD Single : A 11 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.8) USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= 1.72 (180deg=-1.42!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 46:sc= 0.707 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0669 K(o=-0.067,f=-2!) USER MOD Single : A 24 HIS : no HE2:sc= -0.305 K(o=-0.31,f=-3.3!) USER MOD Single : A 30 GLN : amide:sc= 1.19 K(o=1.2,f=-0.31) USER MOD Single : A 31 THR OG1 : rot 120:sc= 0.0591 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.399 K(o=0.4,f=-7.7!) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.699) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= -0.644 (180deg=-2.46!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 2.5 (180deg=2.26) USER MOD Single : A 53 HIS : no HE2:sc= 0.296 K(o=0.3,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= -3.03! (180deg=-5.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -2.107 -0.966 6.566 1.00 0.00 N ATOM 2 CA GLN A 1 -2.048 0.201 5.690 1.00 0.00 C ATOM 3 C GLN A 1 -1.845 -0.219 4.264 1.00 0.00 C ATOM 4 O GLN A 1 -1.800 -1.404 3.973 1.00 0.00 O ATOM 5 CB GLN A 1 -0.912 1.138 6.090 1.00 0.00 C ATOM 6 CG GLN A 1 -1.143 1.907 7.360 1.00 0.00 C ATOM 7 CD GLN A 1 -0.082 2.961 7.555 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.218 4.054 7.054 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.944 2.671 8.308 1.00 0.00 N ATOM 0 H1 GLN A 1 -2.231 -0.655 7.551 1.00 0.00 H new ATOM 0 H2 GLN A 1 -2.909 -1.568 6.289 1.00 0.00 H new ATOM 0 H3 GLN A 1 -1.223 -1.508 6.483 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.997 0.727 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.001 0.553 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -0.742 1.847 5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -2.126 2.377 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.141 1.223 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.030 1.740 8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.660 3.375 8.488 1.00 0.00 H new ATOM 18 N GLY A 2 -1.733 0.768 3.404 1.00 0.00 N ATOM 19 CA GLY A 2 -1.452 0.584 2.003 1.00 0.00 C ATOM 20 C GLY A 2 -0.492 1.666 1.625 1.00 0.00 C ATOM 21 O GLY A 2 0.655 1.410 1.311 1.00 0.00 O ATOM 0 H GLY A 2 -1.838 1.747 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.022 -0.400 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.365 0.649 1.411 1.00 0.00 H new ATOM 25 N GLY A 3 -0.970 2.891 1.709 1.00 0.00 N ATOM 26 CA GLY A 3 -0.100 4.028 1.607 1.00 0.00 C ATOM 27 C GLY A 3 0.463 4.271 2.980 1.00 0.00 C ATOM 28 O GLY A 3 -0.265 4.103 3.968 1.00 0.00 O ATOM 0 H GLY A 3 -1.955 3.117 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.699 3.840 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.647 4.902 1.253 1.00 0.00 H new ATOM 32 N GLN A 4 1.723 4.590 3.072 1.00 0.00 N ATOM 33 CA GLN A 4 2.361 4.722 4.341 1.00 0.00 C ATOM 34 C GLN A 4 2.185 6.085 5.029 1.00 0.00 C ATOM 35 O GLN A 4 2.745 7.100 4.619 1.00 0.00 O ATOM 36 CB GLN A 4 3.831 4.328 4.239 1.00 0.00 C ATOM 37 CG GLN A 4 4.674 5.166 3.274 1.00 0.00 C ATOM 38 CD GLN A 4 6.156 4.830 3.333 1.00 0.00 C ATOM 39 OE1 GLN A 4 6.858 4.921 2.340 1.00 0.00 O ATOM 40 NE2 GLN A 4 6.654 4.489 4.504 1.00 0.00 N ATOM 0 H GLN A 4 2.330 4.764 2.271 1.00 0.00 H new ATOM 0 HA GLN A 4 1.840 4.028 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.276 4.392 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.889 3.284 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.313 5.012 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.537 6.223 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.043 4.421 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.651 4.293 4.597 1.00 0.00 H new ATOM 49 N VAL A 5 1.361 6.088 6.033 1.00 0.00 N ATOM 50 CA VAL A 5 1.275 7.174 6.971 1.00 0.00 C ATOM 51 C VAL A 5 2.010 6.638 8.174 1.00 0.00 C ATOM 52 O VAL A 5 1.940 5.420 8.426 1.00 0.00 O ATOM 53 CB VAL A 5 -0.179 7.474 7.371 1.00 0.00 C ATOM 54 CG1 VAL A 5 -0.243 8.668 8.305 1.00 0.00 C ATOM 55 CG2 VAL A 5 -1.056 7.677 6.146 1.00 0.00 C ATOM 0 H VAL A 5 0.716 5.323 6.230 1.00 0.00 H new ATOM 0 HA VAL A 5 1.678 8.100 6.561 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.568 6.609 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.281 8.863 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.333 8.457 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.172 9.543 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.078 7.887 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.677 8.515 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.043 6.774 5.536 1.00 0.00 H new ATOM 65 N ASP A 6 2.697 7.444 8.929 1.00 0.00 N ATOM 66 CA ASP A 6 3.532 6.823 9.910 1.00 0.00 C ATOM 67 C ASP A 6 2.941 6.624 11.267 1.00 0.00 C ATOM 68 O ASP A 6 3.074 7.445 12.167 1.00 0.00 O ATOM 69 CB ASP A 6 4.921 7.373 10.021 1.00 0.00 C ATOM 70 CG ASP A 6 5.862 6.330 10.648 1.00 0.00 C ATOM 71 OD1 ASP A 6 5.742 6.027 11.867 1.00 0.00 O ATOM 72 OD2 ASP A 6 6.669 5.756 9.896 1.00 0.00 O ATOM 0 H ASP A 6 2.701 8.463 8.893 1.00 0.00 H new ATOM 0 HA ASP A 6 3.610 5.829 9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.287 7.656 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.913 8.278 10.629 1.00 0.00 H new ATOM 77 N CYS A 7 2.167 5.623 11.348 1.00 0.00 N ATOM 78 CA CYS A 7 1.981 4.965 12.580 1.00 0.00 C ATOM 79 C CYS A 7 2.647 3.649 12.416 1.00 0.00 C ATOM 80 O CYS A 7 2.014 2.607 12.314 1.00 0.00 O ATOM 81 CB CYS A 7 0.542 4.876 13.001 1.00 0.00 C ATOM 82 SG CYS A 7 -0.267 6.508 13.203 1.00 0.00 S ATOM 0 H CYS A 7 1.642 5.232 10.566 1.00 0.00 H new ATOM 0 HA CYS A 7 2.422 5.525 13.404 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.009 4.296 12.261 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.481 4.331 13.943 1.00 0.00 H new ATOM 87 N GLY A 8 3.997 3.746 12.297 1.00 0.00 N ATOM 88 CA GLY A 8 4.904 2.613 12.076 1.00 0.00 C ATOM 89 C GLY A 8 4.943 1.670 13.243 1.00 0.00 C ATOM 90 O GLY A 8 5.620 0.644 13.217 1.00 0.00 O ATOM 0 H GLY A 8 4.486 4.639 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.590 2.070 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.909 2.989 11.883 1.00 0.00 H new ATOM 94 N GLU A 9 4.226 2.046 14.270 1.00 0.00 N ATOM 95 CA GLU A 9 3.976 1.257 15.406 1.00 0.00 C ATOM 96 C GLU A 9 3.188 0.044 14.890 1.00 0.00 C ATOM 97 O GLU A 9 3.424 -1.084 15.295 1.00 0.00 O ATOM 98 CB GLU A 9 3.160 2.133 16.295 1.00 0.00 C ATOM 99 CG GLU A 9 3.857 3.436 16.673 1.00 0.00 C ATOM 100 CD GLU A 9 2.954 4.418 17.380 1.00 0.00 C ATOM 101 OE1 GLU A 9 1.914 4.820 16.815 1.00 0.00 O ATOM 102 OE2 GLU A 9 3.271 4.843 18.500 1.00 0.00 O ATOM 0 H GLU A 9 3.785 2.965 14.320 1.00 0.00 H new ATOM 0 HA GLU A 9 4.851 0.901 15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.218 2.365 15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.914 1.585 17.205 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.709 3.210 17.315 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.252 3.902 15.771 1.00 0.00 H new ATOM 109 N PHE A 10 2.194 0.376 14.034 1.00 0.00 N ATOM 110 CA PHE A 10 1.532 -0.542 13.024 1.00 0.00 C ATOM 111 C PHE A 10 1.139 -1.924 13.559 1.00 0.00 C ATOM 112 O PHE A 10 1.146 -2.928 12.857 1.00 0.00 O ATOM 113 CB PHE A 10 2.529 -0.722 11.943 1.00 0.00 C ATOM 114 CG PHE A 10 2.016 -1.296 10.636 1.00 0.00 C ATOM 115 CD1 PHE A 10 1.023 -0.646 9.921 1.00 0.00 C ATOM 116 CD2 PHE A 10 2.535 -2.479 10.127 1.00 0.00 C ATOM 117 CE1 PHE A 10 0.556 -1.165 8.731 1.00 0.00 C ATOM 118 CE2 PHE A 10 2.070 -3.000 8.936 1.00 0.00 C ATOM 119 CZ PHE A 10 1.079 -2.342 8.238 1.00 0.00 C ATOM 0 H PHE A 10 1.803 1.318 14.011 1.00 0.00 H new ATOM 0 HA PHE A 10 0.594 -0.083 12.711 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.984 0.246 11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.320 -1.373 12.314 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.610 0.277 10.299 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.312 -2.998 10.669 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.220 -0.649 8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.482 -3.921 8.551 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.713 -2.748 7.307 1.00 0.00 H new ATOM 129 N GLN A 11 0.765 -1.935 14.749 1.00 0.00 N ATOM 130 CA GLN A 11 0.305 -3.157 15.460 1.00 0.00 C ATOM 131 C GLN A 11 -0.865 -3.837 14.807 1.00 0.00 C ATOM 132 O GLN A 11 -1.188 -5.014 15.047 1.00 0.00 O ATOM 133 CB GLN A 11 -0.028 -2.778 16.828 1.00 0.00 C ATOM 134 CG GLN A 11 1.167 -2.362 17.531 1.00 0.00 C ATOM 135 CD GLN A 11 2.161 -3.488 17.746 1.00 0.00 C ATOM 136 OE1 GLN A 11 1.786 -4.639 17.920 1.00 0.00 O ATOM 137 NE2 GLN A 11 3.424 -3.171 17.677 1.00 0.00 N ATOM 0 H GLN A 11 0.746 -1.097 15.331 1.00 0.00 H new ATOM 0 HA GLN A 11 1.114 -3.887 15.431 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.757 -1.968 16.822 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.490 -3.619 17.345 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.650 -1.563 16.970 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.885 -1.947 18.498 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.699 -2.200 17.531 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.137 -3.894 17.769 1.00 0.00 H new ATOM 146 N ASP A 12 -1.501 -3.087 14.055 1.00 0.00 N ATOM 147 CA ASP A 12 -2.575 -3.464 13.320 1.00 0.00 C ATOM 148 C ASP A 12 -2.513 -2.675 12.025 1.00 0.00 C ATOM 149 O ASP A 12 -1.808 -1.665 11.923 1.00 0.00 O ATOM 150 CB ASP A 12 -3.764 -3.111 14.116 1.00 0.00 C ATOM 151 CG ASP A 12 -5.036 -3.684 13.616 1.00 0.00 C ATOM 152 OD1 ASP A 12 -5.704 -3.046 12.791 1.00 0.00 O ATOM 153 OD2 ASP A 12 -5.412 -4.769 14.092 1.00 0.00 O ATOM 0 H ASP A 12 -1.258 -2.104 13.930 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.602 -4.528 13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.610 -3.444 15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.857 -2.025 14.144 1.00 0.00 H new ATOM 158 N THR A 13 -3.253 -3.100 11.100 1.00 0.00 N ATOM 159 CA THR A 13 -3.232 -2.571 9.755 1.00 0.00 C ATOM 160 C THR A 13 -3.864 -1.175 9.670 1.00 0.00 C ATOM 161 O THR A 13 -3.411 -0.323 8.884 1.00 0.00 O ATOM 162 CB THR A 13 -3.917 -3.557 8.756 1.00 0.00 C ATOM 163 OG1 THR A 13 -3.726 -3.140 7.381 1.00 0.00 O ATOM 164 CG2 THR A 13 -5.416 -3.713 9.033 1.00 0.00 C ATOM 0 H THR A 13 -3.927 -3.854 11.230 1.00 0.00 H new ATOM 0 HA THR A 13 -2.185 -2.465 9.470 1.00 0.00 H new ATOM 0 HB THR A 13 -3.435 -4.523 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.165 -3.779 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.849 -4.408 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.561 -4.099 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.906 -2.744 8.941 1.00 0.00 H new ATOM 172 N LYS A 14 -4.875 -0.939 10.481 1.00 0.00 N ATOM 173 CA LYS A 14 -5.607 0.315 10.483 1.00 0.00 C ATOM 174 C LYS A 14 -4.885 1.427 11.270 1.00 0.00 C ATOM 175 O LYS A 14 -5.453 2.529 11.496 1.00 0.00 O ATOM 176 CB LYS A 14 -6.986 0.055 11.062 1.00 0.00 C ATOM 177 CG LYS A 14 -6.989 -0.302 12.540 1.00 0.00 C ATOM 178 CD LYS A 14 -8.394 -0.575 13.059 1.00 0.00 C ATOM 179 CE LYS A 14 -8.343 -1.119 14.477 1.00 0.00 C ATOM 180 NZ LYS A 14 -7.709 -2.457 14.525 1.00 0.00 N ATOM 0 H LYS A 14 -5.216 -1.616 11.163 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.681 0.676 9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.602 0.942 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.454 -0.756 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.366 -1.182 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.544 0.513 13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.981 0.343 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.896 -1.290 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.787 -0.429 15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.354 -1.180 14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.432 -3.176 14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.265 -2.664 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.985 -2.471 15.271 1.00 0.00 H new ATOM 194 N VAL A 15 -3.655 1.173 11.658 1.00 0.00 N ATOM 195 CA VAL A 15 -2.902 2.126 12.431 1.00 0.00 C ATOM 196 C VAL A 15 -2.070 3.034 11.509 1.00 0.00 C ATOM 197 O VAL A 15 -0.943 2.732 11.146 1.00 0.00 O ATOM 198 CB VAL A 15 -2.000 1.443 13.488 1.00 0.00 C ATOM 199 CG1 VAL A 15 -1.430 2.452 14.457 1.00 0.00 C ATOM 200 CG2 VAL A 15 -2.757 0.378 14.238 1.00 0.00 C ATOM 0 H VAL A 15 -3.156 0.309 11.448 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.621 2.740 12.974 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.173 0.973 12.955 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.801 1.941 15.186 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.833 3.183 13.912 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.244 2.961 14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.100 -0.085 14.974 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.610 0.827 14.746 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.109 -0.380 13.538 1.00 0.00 H new ATOM 210 N TYR A 16 -2.732 4.034 11.036 1.00 0.00 N ATOM 211 CA TYR A 16 -2.198 5.131 10.256 1.00 0.00 C ATOM 212 C TYR A 16 -2.884 6.358 10.829 1.00 0.00 C ATOM 213 O TYR A 16 -4.014 6.224 11.349 1.00 0.00 O ATOM 214 CB TYR A 16 -2.609 4.948 8.783 1.00 0.00 C ATOM 215 CG TYR A 16 -4.104 4.979 8.492 1.00 0.00 C ATOM 216 CD1 TYR A 16 -4.874 3.832 8.598 1.00 0.00 C ATOM 217 CD2 TYR A 16 -4.740 6.162 8.120 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.227 3.855 8.348 1.00 0.00 C ATOM 219 CE2 TYR A 16 -6.095 6.194 7.874 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.832 5.037 7.989 1.00 0.00 C ATOM 221 OH TYR A 16 -8.181 5.065 7.773 1.00 0.00 O ATOM 0 H TYR A 16 -3.736 4.126 11.188 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.111 5.199 10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.129 5.730 8.194 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.212 3.995 8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.403 2.902 8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.161 7.069 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.810 2.950 8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.575 7.120 7.593 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.454 5.974 7.528 1.00 0.00 H new ATOM 231 N CYS A 17 -2.294 7.505 10.759 1.00 0.00 N ATOM 232 CA CYS A 17 -2.897 8.645 11.369 1.00 0.00 C ATOM 233 C CYS A 17 -3.307 9.721 10.394 1.00 0.00 C ATOM 234 O CYS A 17 -3.269 9.549 9.184 1.00 0.00 O ATOM 235 CB CYS A 17 -1.958 9.193 12.411 1.00 0.00 C ATOM 236 SG CYS A 17 -0.468 10.069 11.834 1.00 0.00 S ATOM 0 H CYS A 17 -1.404 7.678 10.291 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.828 8.311 11.828 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.523 9.875 13.046 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.636 8.364 13.041 1.00 0.00 H new ATOM 241 N THR A 18 -3.762 10.786 10.967 1.00 0.00 N ATOM 242 CA THR A 18 -4.146 11.984 10.302 1.00 0.00 C ATOM 243 C THR A 18 -3.448 13.094 10.994 1.00 0.00 C ATOM 244 O THR A 18 -2.964 12.934 12.135 1.00 0.00 O ATOM 245 CB THR A 18 -5.693 12.205 10.344 1.00 0.00 C ATOM 246 OG1 THR A 18 -6.078 13.476 9.848 1.00 0.00 O ATOM 247 CG2 THR A 18 -6.240 12.046 11.726 1.00 0.00 C ATOM 0 H THR A 18 -3.883 10.844 11.978 1.00 0.00 H new ATOM 0 HA THR A 18 -3.873 11.931 9.248 1.00 0.00 H new ATOM 0 HB THR A 18 -6.110 11.436 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.598 13.660 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.318 12.208 11.712 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.029 11.040 12.087 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.773 12.775 12.388 1.00 0.00 H new ATOM 255 N ARG A 19 -3.445 14.177 10.360 1.00 0.00 N ATOM 256 CA ARG A 19 -2.734 15.356 10.834 1.00 0.00 C ATOM 257 C ARG A 19 -3.755 16.378 11.258 1.00 0.00 C ATOM 258 O ARG A 19 -3.469 17.317 12.005 1.00 0.00 O ATOM 259 CB ARG A 19 -1.779 15.907 9.747 1.00 0.00 C ATOM 260 CG ARG A 19 -2.462 16.627 8.590 1.00 0.00 C ATOM 261 CD ARG A 19 -1.559 16.716 7.366 1.00 0.00 C ATOM 262 NE ARG A 19 -2.149 17.519 6.254 1.00 0.00 N ATOM 263 CZ ARG A 19 -3.236 17.176 5.500 1.00 0.00 C ATOM 264 NH1 ARG A 19 -4.013 16.169 5.854 1.00 0.00 N ATOM 265 NH2 ARG A 19 -3.568 17.908 4.432 1.00 0.00 N ATOM 0 H ARG A 19 -3.934 14.314 9.475 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.106 15.099 11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.076 16.594 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.195 15.079 9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.380 16.102 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.748 17.631 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.606 17.157 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.347 15.709 7.005 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.698 18.408 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.805 15.637 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.821 15.923 5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.010 18.723 4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.379 17.651 3.870 1.00 0.00 H new ATOM 279 N GLU A 20 -4.950 16.158 10.784 1.00 0.00 N ATOM 280 CA GLU A 20 -6.072 16.943 11.091 1.00 0.00 C ATOM 281 C GLU A 20 -6.492 16.585 12.503 1.00 0.00 C ATOM 282 O GLU A 20 -6.307 15.428 12.940 1.00 0.00 O ATOM 283 CB GLU A 20 -7.214 16.658 10.087 1.00 0.00 C ATOM 284 CG GLU A 20 -6.899 16.979 8.604 1.00 0.00 C ATOM 285 CD GLU A 20 -6.194 15.858 7.805 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.146 15.302 8.257 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.619 15.575 6.678 1.00 0.00 O ATOM 0 H GLU A 20 -5.158 15.389 10.147 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.838 18.005 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.485 15.605 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.089 17.235 10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.833 17.226 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.273 17.871 8.570 1.00 0.00 H new ATOM 294 N SER A 21 -7.009 17.532 13.242 1.00 0.00 N ATOM 295 CA SER A 21 -7.364 17.245 14.591 1.00 0.00 C ATOM 296 C SER A 21 -8.697 16.569 14.698 1.00 0.00 C ATOM 297 O SER A 21 -9.759 17.187 14.722 1.00 0.00 O ATOM 298 CB SER A 21 -7.298 18.424 15.460 1.00 0.00 C ATOM 299 OG SER A 21 -6.039 19.075 15.330 1.00 0.00 O ATOM 0 H SER A 21 -7.188 18.488 12.933 1.00 0.00 H new ATOM 0 HA SER A 21 -6.611 16.543 14.949 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.099 19.117 15.203 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.454 18.127 16.497 1.00 0.00 H new ATOM 0 HG SER A 21 -6.015 19.860 15.916 1.00 0.00 H new ATOM 305 N ASN A 22 -8.597 15.324 14.655 1.00 0.00 N ATOM 306 CA ASN A 22 -9.692 14.410 14.774 1.00 0.00 C ATOM 307 C ASN A 22 -9.519 13.699 16.099 1.00 0.00 C ATOM 308 O ASN A 22 -8.715 12.759 16.187 1.00 0.00 O ATOM 309 CB ASN A 22 -9.671 13.401 13.610 1.00 0.00 C ATOM 310 CG ASN A 22 -10.933 12.543 13.505 1.00 0.00 C ATOM 311 OD1 ASN A 22 -11.603 12.257 14.480 1.00 0.00 O ATOM 312 ND2 ASN A 22 -11.257 12.128 12.303 1.00 0.00 N ATOM 0 H ASN A 22 -7.701 14.854 14.528 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.649 14.931 14.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.535 13.944 12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.808 12.746 13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.088 11.551 12.169 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.678 12.382 11.502 1.00 0.00 H new ATOM 319 N PRO A 23 -10.170 14.160 17.160 1.00 0.00 N ATOM 320 CA PRO A 23 -10.006 13.565 18.465 1.00 0.00 C ATOM 321 C PRO A 23 -10.657 12.195 18.536 1.00 0.00 C ATOM 322 O PRO A 23 -11.630 11.921 17.856 1.00 0.00 O ATOM 323 CB PRO A 23 -10.673 14.557 19.430 1.00 0.00 C ATOM 324 CG PRO A 23 -11.033 15.750 18.599 1.00 0.00 C ATOM 325 CD PRO A 23 -11.123 15.270 17.182 1.00 0.00 C ATOM 0 HA PRO A 23 -8.957 13.398 18.711 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.558 14.119 19.891 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.996 14.833 20.238 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.981 16.178 18.925 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.280 16.532 18.697 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.131 14.944 16.928 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.852 16.051 16.471 1.00 0.00 H new ATOM 333 N HIS A 24 -10.118 11.356 19.340 1.00 0.00 N ATOM 334 CA HIS A 24 -10.571 9.996 19.469 1.00 0.00 C ATOM 335 C HIS A 24 -10.564 9.624 20.888 1.00 0.00 C ATOM 336 O HIS A 24 -9.546 9.719 21.571 1.00 0.00 O ATOM 337 CB HIS A 24 -9.640 9.029 18.735 1.00 0.00 C ATOM 338 CG HIS A 24 -9.692 9.002 17.212 1.00 0.00 C ATOM 339 ND1 HIS A 24 -9.475 10.083 16.386 1.00 0.00 N ATOM 340 CD2 HIS A 24 -9.930 7.956 16.378 1.00 0.00 C ATOM 341 CE1 HIS A 24 -9.587 9.672 15.126 1.00 0.00 C ATOM 342 NE2 HIS A 24 -9.859 8.386 15.061 1.00 0.00 N ATOM 0 H HIS A 24 -9.331 11.587 19.946 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.571 9.932 19.040 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.617 9.262 19.030 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.854 8.022 19.094 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.265 11.034 16.688 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.142 6.945 16.692 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.470 10.313 14.265 1.00 0.00 H new ATOM 350 N CYS A 25 -11.680 9.245 21.317 1.00 0.00 N ATOM 351 CA CYS A 25 -11.872 8.674 22.595 1.00 0.00 C ATOM 352 C CYS A 25 -11.884 7.213 22.326 1.00 0.00 C ATOM 353 O CYS A 25 -12.868 6.675 21.794 1.00 0.00 O ATOM 354 CB CYS A 25 -13.202 9.099 23.202 1.00 0.00 C ATOM 355 SG CYS A 25 -13.482 8.443 24.878 1.00 0.00 S ATOM 0 H CYS A 25 -12.539 9.321 20.772 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.103 8.983 23.303 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.245 10.188 23.235 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.011 8.767 22.551 1.00 0.00 H new ATOM 360 N GLY A 26 -10.787 6.573 22.578 1.00 0.00 N ATOM 361 CA GLY A 26 -10.658 5.221 22.209 1.00 0.00 C ATOM 362 C GLY A 26 -11.402 4.331 23.111 1.00 0.00 C ATOM 363 O GLY A 26 -11.835 4.741 24.169 1.00 0.00 O ATOM 0 H GLY A 26 -9.972 6.976 23.040 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.019 5.088 21.189 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.604 4.943 22.213 1.00 0.00 H new ATOM 367 N SER A 27 -11.562 3.106 22.703 1.00 0.00 N ATOM 368 CA SER A 27 -12.188 2.098 23.542 1.00 0.00 C ATOM 369 C SER A 27 -11.317 1.799 24.783 1.00 0.00 C ATOM 370 O SER A 27 -11.713 1.066 25.668 1.00 0.00 O ATOM 371 CB SER A 27 -12.476 0.810 22.764 1.00 0.00 C ATOM 372 OG SER A 27 -13.384 1.049 21.686 1.00 0.00 O ATOM 0 H SER A 27 -11.268 2.768 21.787 1.00 0.00 H new ATOM 0 HA SER A 27 -13.144 2.502 23.876 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.544 0.402 22.374 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.895 0.062 23.437 1.00 0.00 H new ATOM 0 HG SER A 27 -13.150 0.474 20.928 1.00 0.00 H new ATOM 378 N ASP A 28 -10.128 2.393 24.789 1.00 0.00 N ATOM 379 CA ASP A 28 -9.182 2.336 25.877 1.00 0.00 C ATOM 380 C ASP A 28 -9.579 3.356 26.905 1.00 0.00 C ATOM 381 O ASP A 28 -9.023 3.443 27.986 1.00 0.00 O ATOM 382 CB ASP A 28 -7.783 2.621 25.326 1.00 0.00 C ATOM 383 CG ASP A 28 -6.673 2.243 26.274 1.00 0.00 C ATOM 384 OD1 ASP A 28 -6.416 1.035 26.431 1.00 0.00 O ATOM 385 OD2 ASP A 28 -6.015 3.129 26.826 1.00 0.00 O ATOM 0 H ASP A 28 -9.792 2.947 24.001 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.176 1.351 26.344 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.652 2.077 24.391 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.703 3.682 25.091 1.00 0.00 H new ATOM 390 N GLY A 29 -10.553 4.159 26.532 1.00 0.00 N ATOM 391 CA GLY A 29 -11.044 5.187 27.391 1.00 0.00 C ATOM 392 C GLY A 29 -10.315 6.450 27.133 1.00 0.00 C ATOM 393 O GLY A 29 -10.827 7.549 27.334 1.00 0.00 O ATOM 0 H GLY A 29 -11.018 4.109 25.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.111 5.333 27.225 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.921 4.892 28.433 1.00 0.00 H new ATOM 397 N GLN A 30 -9.113 6.292 26.672 1.00 0.00 N ATOM 398 CA GLN A 30 -8.271 7.404 26.418 1.00 0.00 C ATOM 399 C GLN A 30 -8.607 8.204 25.224 1.00 0.00 C ATOM 400 O GLN A 30 -8.894 7.690 24.144 1.00 0.00 O ATOM 401 CB GLN A 30 -6.839 7.039 26.454 1.00 0.00 C ATOM 402 CG GLN A 30 -6.505 6.632 27.812 1.00 0.00 C ATOM 403 CD GLN A 30 -5.037 6.346 28.024 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.275 7.229 28.379 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.624 5.134 27.801 1.00 0.00 N ATOM 0 H GLN A 30 -8.694 5.386 26.463 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.474 8.077 27.251 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.636 6.229 25.754 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.224 7.885 26.149 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.815 7.417 28.502 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.079 5.740 28.065 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.285 4.416 27.505 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.638 4.901 27.922 1.00 0.00 H new ATOM 414 N THR A 31 -8.552 9.467 25.440 1.00 0.00 N ATOM 415 CA THR A 31 -8.831 10.436 24.414 1.00 0.00 C ATOM 416 C THR A 31 -7.553 11.084 23.948 1.00 0.00 C ATOM 417 O THR A 31 -6.756 11.559 24.753 1.00 0.00 O ATOM 418 CB THR A 31 -9.796 11.554 24.877 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.070 11.004 25.262 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.001 12.594 23.754 1.00 0.00 C ATOM 0 H THR A 31 -8.310 9.875 26.343 1.00 0.00 H new ATOM 0 HA THR A 31 -9.312 9.886 23.606 1.00 0.00 H new ATOM 0 HB THR A 31 -9.348 12.044 25.741 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.248 11.218 26.202 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.682 13.372 24.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.042 13.041 23.493 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.424 12.104 22.877 1.00 0.00 H new ATOM 428 N TYR A 32 -7.364 11.092 22.669 1.00 0.00 N ATOM 429 CA TYR A 32 -6.258 11.747 22.081 1.00 0.00 C ATOM 430 C TYR A 32 -6.723 12.764 21.060 1.00 0.00 C ATOM 431 O TYR A 32 -7.770 12.592 20.429 1.00 0.00 O ATOM 432 CB TYR A 32 -5.264 10.753 21.515 1.00 0.00 C ATOM 433 CG TYR A 32 -4.471 10.031 22.588 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.932 8.853 23.159 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.261 10.544 23.034 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.206 8.209 24.140 1.00 0.00 C ATOM 437 CE2 TYR A 32 -2.530 9.905 24.011 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.006 8.738 24.560 1.00 0.00 C ATOM 439 OH TYR A 32 -2.282 8.104 25.536 1.00 0.00 O ATOM 0 H TYR A 32 -7.985 10.636 22.001 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.725 12.297 22.857 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.797 10.020 20.909 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.575 11.275 20.851 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.872 8.435 22.831 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.885 11.462 22.607 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.577 7.294 24.577 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.589 10.318 24.344 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.461 8.608 25.714 1.00 0.00 H new ATOM 449 N GLY A 33 -5.955 13.830 20.967 1.00 0.00 N ATOM 450 CA GLY A 33 -6.244 14.995 20.113 1.00 0.00 C ATOM 451 C GLY A 33 -6.434 14.687 18.638 1.00 0.00 C ATOM 452 O GLY A 33 -7.262 15.303 17.983 1.00 0.00 O ATOM 0 H GLY A 33 -5.086 13.926 21.492 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.145 15.482 20.485 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.429 15.711 20.216 1.00 0.00 H new ATOM 456 N ASN A 34 -5.655 13.779 18.110 1.00 0.00 N ATOM 457 CA ASN A 34 -5.815 13.363 16.739 1.00 0.00 C ATOM 458 C ASN A 34 -5.526 11.892 16.663 1.00 0.00 C ATOM 459 O ASN A 34 -5.112 11.303 17.663 1.00 0.00 O ATOM 460 CB ASN A 34 -4.966 14.201 15.722 1.00 0.00 C ATOM 461 CG ASN A 34 -3.449 14.104 15.871 1.00 0.00 C ATOM 462 OD1 ASN A 34 -2.913 13.100 16.300 1.00 0.00 O ATOM 463 ND2 ASN A 34 -2.755 15.143 15.484 1.00 0.00 N ATOM 0 H ASN A 34 -4.900 13.311 18.611 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.844 13.554 16.433 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.232 13.887 14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.254 15.248 15.816 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.737 15.125 15.538 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.232 15.971 15.128 1.00 0.00 H new ATOM 470 N LYS A 35 -5.716 11.284 15.515 1.00 0.00 N ATOM 471 CA LYS A 35 -5.533 9.835 15.418 1.00 0.00 C ATOM 472 C LYS A 35 -4.098 9.421 15.588 1.00 0.00 C ATOM 473 O LYS A 35 -3.805 8.363 16.057 1.00 0.00 O ATOM 474 CB LYS A 35 -6.065 9.279 14.139 1.00 0.00 C ATOM 475 CG LYS A 35 -6.160 7.754 14.153 1.00 0.00 C ATOM 476 CD LYS A 35 -6.606 7.173 12.835 1.00 0.00 C ATOM 477 CE LYS A 35 -6.626 5.649 12.913 1.00 0.00 C ATOM 478 NZ LYS A 35 -6.777 5.030 11.579 1.00 0.00 N ATOM 0 H LYS A 35 -5.991 11.747 14.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.110 9.418 16.244 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.053 9.699 13.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.422 9.591 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.187 7.338 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.858 7.447 14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.599 7.545 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.933 7.495 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.703 5.297 13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.446 5.329 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.288 4.112 11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.787 4.887 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.363 5.654 10.858 1.00 0.00 H new ATOM 492 N CYS A 36 -3.259 10.253 15.179 1.00 0.00 N ATOM 493 CA CYS A 36 -1.800 10.052 15.281 1.00 0.00 C ATOM 494 C CYS A 36 -1.395 9.941 16.721 1.00 0.00 C ATOM 495 O CYS A 36 -0.576 9.095 17.131 1.00 0.00 O ATOM 496 CB CYS A 36 -1.068 11.205 14.597 1.00 0.00 C ATOM 497 SG CYS A 36 0.375 10.698 13.593 1.00 0.00 S ATOM 0 H CYS A 36 -3.520 11.137 14.742 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.528 9.124 14.778 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.772 11.736 13.956 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.735 11.910 15.359 1.00 0.00 H new ATOM 502 N ALA A 37 -2.037 10.747 17.475 1.00 0.00 N ATOM 503 CA ALA A 37 -1.883 10.811 18.909 1.00 0.00 C ATOM 504 C ALA A 37 -2.497 9.560 19.521 1.00 0.00 C ATOM 505 O ALA A 37 -2.049 9.053 20.524 1.00 0.00 O ATOM 506 CB ALA A 37 -2.610 12.034 19.396 1.00 0.00 C ATOM 0 H ALA A 37 -2.717 11.416 17.113 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.832 10.867 19.192 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.511 12.109 20.479 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.182 12.921 18.930 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.665 11.959 19.132 1.00 0.00 H new ATOM 512 N PHE A 38 -3.517 9.085 18.885 1.00 0.00 N ATOM 513 CA PHE A 38 -4.218 7.887 19.303 1.00 0.00 C ATOM 514 C PHE A 38 -3.552 6.585 18.758 1.00 0.00 C ATOM 515 O PHE A 38 -3.866 5.517 19.213 1.00 0.00 O ATOM 516 CB PHE A 38 -5.708 7.998 18.885 1.00 0.00 C ATOM 517 CG PHE A 38 -6.592 6.847 19.290 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.640 6.414 20.604 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.365 6.194 18.346 1.00 0.00 C ATOM 520 CE1 PHE A 38 -7.440 5.354 20.966 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.170 5.132 18.703 1.00 0.00 C ATOM 522 CZ PHE A 38 -8.206 4.711 20.012 1.00 0.00 C ATOM 0 H PHE A 38 -3.903 9.516 18.045 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.158 7.811 20.389 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.118 8.913 19.312 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.754 8.103 17.801 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.043 6.913 21.353 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.338 6.520 17.317 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.469 5.025 21.994 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.770 4.633 17.957 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.833 3.878 20.294 1.00 0.00 H new ATOM 532 N CYS A 39 -2.596 6.692 17.832 1.00 0.00 N ATOM 533 CA CYS A 39 -1.963 5.503 17.235 1.00 0.00 C ATOM 534 C CYS A 39 -1.307 4.628 18.249 1.00 0.00 C ATOM 535 O CYS A 39 -1.665 3.501 18.362 1.00 0.00 O ATOM 536 CB CYS A 39 -1.010 5.856 16.092 1.00 0.00 C ATOM 537 SG CYS A 39 -1.822 6.229 14.498 1.00 0.00 S ATOM 0 H CYS A 39 -2.242 7.581 17.478 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.777 4.923 16.801 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.413 6.718 16.389 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.319 5.026 15.945 1.00 0.00 H new ATOM 542 N LYS A 40 -0.455 5.191 19.070 1.00 0.00 N ATOM 543 CA LYS A 40 0.303 4.484 20.059 1.00 0.00 C ATOM 544 C LYS A 40 -0.574 3.907 21.093 1.00 0.00 C ATOM 545 O LYS A 40 -0.328 2.867 21.674 1.00 0.00 O ATOM 546 CB LYS A 40 1.290 5.398 20.709 1.00 0.00 C ATOM 547 CG LYS A 40 0.802 6.744 21.239 1.00 0.00 C ATOM 548 CD LYS A 40 0.604 7.848 20.198 1.00 0.00 C ATOM 549 CE LYS A 40 1.862 8.208 19.342 1.00 0.00 C ATOM 550 NZ LYS A 40 2.207 7.230 18.257 1.00 0.00 N ATOM 0 H LYS A 40 -0.267 6.194 19.063 1.00 0.00 H new ATOM 0 HA LYS A 40 0.829 3.675 19.553 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.742 4.859 21.542 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.084 5.594 19.988 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.145 6.586 21.755 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.515 7.098 21.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.197 7.546 19.523 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.267 8.749 20.711 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.703 9.186 18.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.719 8.301 20.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.589 7.742 17.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.920 6.559 18.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.352 6.710 17.974 1.00 0.00 H new ATOM 564 N ALA A 41 -1.564 4.608 21.288 1.00 0.00 N ATOM 565 CA ALA A 41 -2.630 4.271 22.182 1.00 0.00 C ATOM 566 C ALA A 41 -3.382 3.055 21.676 1.00 0.00 C ATOM 567 O ALA A 41 -4.016 2.371 22.421 1.00 0.00 O ATOM 568 CB ALA A 41 -3.535 5.388 22.206 1.00 0.00 C ATOM 0 H ALA A 41 -1.704 5.502 20.818 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.230 4.050 23.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.365 5.170 22.879 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.008 6.276 22.556 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.919 5.566 21.202 1.00 0.00 H new ATOM 574 N ILE A 42 -3.358 2.846 20.395 1.00 0.00 N ATOM 575 CA ILE A 42 -3.935 1.637 19.808 1.00 0.00 C ATOM 576 C ILE A 42 -2.937 0.525 19.941 1.00 0.00 C ATOM 577 O ILE A 42 -3.236 -0.617 20.337 1.00 0.00 O ATOM 578 CB ILE A 42 -4.188 1.965 18.359 1.00 0.00 C ATOM 579 CG1 ILE A 42 -5.310 2.892 18.290 1.00 0.00 C ATOM 580 CG2 ILE A 42 -4.379 0.770 17.519 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.279 3.712 17.070 1.00 0.00 C ATOM 0 H ILE A 42 -2.947 3.490 19.719 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.858 1.324 20.296 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.301 2.441 17.942 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.244 2.332 18.326 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.295 3.543 19.164 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.557 1.075 16.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.486 0.147 17.564 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.236 0.203 17.883 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.135 4.387 17.064 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.358 4.294 17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.322 3.064 16.195 1.00 0.00 H new ATOM 593 N VAL A 43 -1.769 0.910 19.634 1.00 0.00 N ATOM 594 CA VAL A 43 -0.560 0.101 19.648 1.00 0.00 C ATOM 595 C VAL A 43 -0.332 -0.566 20.991 1.00 0.00 C ATOM 596 O VAL A 43 0.081 -1.727 21.050 1.00 0.00 O ATOM 597 CB VAL A 43 0.625 1.002 19.282 1.00 0.00 C ATOM 598 CG1 VAL A 43 1.979 0.301 19.334 1.00 0.00 C ATOM 599 CG2 VAL A 43 0.361 1.588 17.925 1.00 0.00 C ATOM 0 H VAL A 43 -1.585 1.869 19.339 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.665 -0.703 18.920 1.00 0.00 H new ATOM 0 HB VAL A 43 0.698 1.786 20.035 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.764 1.006 19.062 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.158 -0.070 20.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.983 -0.535 18.634 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.191 2.235 17.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.260 0.785 17.195 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.560 2.171 17.953 1.00 0.00 H new ATOM 609 N LYS A 44 -0.670 0.150 22.054 1.00 0.00 N ATOM 610 CA LYS A 44 -0.485 -0.318 23.428 1.00 0.00 C ATOM 611 C LYS A 44 -1.187 -1.635 23.693 1.00 0.00 C ATOM 612 O LYS A 44 -0.844 -2.370 24.615 1.00 0.00 O ATOM 613 CB LYS A 44 -0.991 0.716 24.404 1.00 0.00 C ATOM 614 CG LYS A 44 -2.502 0.897 24.421 1.00 0.00 C ATOM 615 CD LYS A 44 -2.978 1.775 25.570 1.00 0.00 C ATOM 616 CE LYS A 44 -3.075 0.992 26.873 1.00 0.00 C ATOM 617 NZ LYS A 44 -4.132 -0.056 26.809 1.00 0.00 N ATOM 0 H LYS A 44 -1.084 1.080 21.991 1.00 0.00 H new ATOM 0 HA LYS A 44 0.585 -0.475 23.564 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.662 0.440 25.406 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.528 1.674 24.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.821 1.338 23.477 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.980 -0.080 24.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.291 2.611 25.698 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.953 2.198 25.326 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.114 0.526 27.090 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.290 1.676 27.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.382 -0.356 27.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.975 0.329 26.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.778 -0.874 26.273 1.00 0.00 H new ATOM 631 N SER A 45 -2.208 -1.886 22.952 1.00 0.00 N ATOM 632 CA SER A 45 -2.910 -3.117 23.087 1.00 0.00 C ATOM 633 C SER A 45 -3.214 -3.766 21.739 1.00 0.00 C ATOM 634 O SER A 45 -4.371 -3.937 21.336 1.00 0.00 O ATOM 635 CB SER A 45 -4.136 -2.954 23.983 1.00 0.00 C ATOM 636 OG SER A 45 -3.733 -2.357 25.230 1.00 0.00 O ATOM 0 H SER A 45 -2.578 -1.254 22.243 1.00 0.00 H new ATOM 0 HA SER A 45 -2.252 -3.824 23.593 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.881 -2.329 23.491 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.601 -3.923 24.163 1.00 0.00 H new ATOM 0 HG SER A 45 -4.373 -2.601 25.931 1.00 0.00 H new ATOM 642 N GLY A 46 -2.151 -4.007 20.992 1.00 0.00 N ATOM 643 CA GLY A 46 -2.210 -4.805 19.831 1.00 0.00 C ATOM 644 C GLY A 46 -2.778 -4.189 18.614 1.00 0.00 C ATOM 645 O GLY A 46 -2.906 -4.853 17.596 1.00 0.00 O ATOM 0 H GLY A 46 -1.222 -3.639 21.197 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.199 -5.139 19.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.795 -5.695 20.063 1.00 0.00 H new ATOM 649 N GLY A 47 -3.177 -2.983 18.700 1.00 0.00 N ATOM 650 CA GLY A 47 -3.793 -2.357 17.596 1.00 0.00 C ATOM 651 C GLY A 47 -5.248 -2.738 17.472 1.00 0.00 C ATOM 652 O GLY A 47 -5.954 -2.301 16.572 1.00 0.00 O ATOM 0 H GLY A 47 -3.088 -2.401 19.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.709 -1.275 17.699 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.267 -2.633 16.682 1.00 0.00 H new ATOM 656 N LYS A 48 -5.670 -3.572 18.369 1.00 0.00 N ATOM 657 CA LYS A 48 -6.990 -4.094 18.408 1.00 0.00 C ATOM 658 C LYS A 48 -8.000 -3.142 19.020 1.00 0.00 C ATOM 659 O LYS A 48 -9.202 -3.349 18.882 1.00 0.00 O ATOM 660 CB LYS A 48 -6.937 -5.405 19.135 1.00 0.00 C ATOM 661 CG LYS A 48 -5.898 -6.371 18.515 1.00 0.00 C ATOM 662 CD LYS A 48 -6.167 -6.548 17.023 1.00 0.00 C ATOM 663 CE LYS A 48 -5.072 -7.319 16.276 1.00 0.00 C ATOM 664 NZ LYS A 48 -4.026 -6.405 15.730 1.00 0.00 N ATOM 0 H LYS A 48 -5.077 -3.919 19.123 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.345 -4.238 17.387 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.689 -5.229 20.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.922 -5.871 19.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.892 -5.980 18.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.944 -7.337 19.017 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.115 -7.070 16.895 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.280 -5.565 16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.609 -8.039 16.951 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.519 -7.888 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.409 -6.932 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.481 -5.623 15.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.457 -6.022 16.512 1.00 0.00 H new ATOM 678 N ILE A 49 -7.523 -2.124 19.697 1.00 0.00 N ATOM 679 CA ILE A 49 -8.409 -1.113 20.253 1.00 0.00 C ATOM 680 C ILE A 49 -9.178 -0.390 19.124 1.00 0.00 C ATOM 681 O ILE A 49 -8.692 -0.250 17.993 1.00 0.00 O ATOM 682 CB ILE A 49 -7.607 -0.104 21.100 1.00 0.00 C ATOM 683 CG1 ILE A 49 -6.849 -0.863 22.177 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.520 0.958 21.749 1.00 0.00 C ATOM 685 CD1 ILE A 49 -5.851 -0.029 22.888 1.00 0.00 C ATOM 0 H ILE A 49 -6.531 -1.969 19.879 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.135 -1.604 20.901 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.914 0.423 20.444 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.560 -1.262 22.900 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.343 -1.716 21.724 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.915 1.648 22.336 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.047 1.510 20.970 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.244 0.467 22.399 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.346 -0.631 23.643 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.118 0.349 22.175 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.354 0.809 23.370 1.00 0.00 H new ATOM 697 N SER A 50 -10.352 0.045 19.447 1.00 0.00 N ATOM 698 CA SER A 50 -11.237 0.679 18.534 1.00 0.00 C ATOM 699 C SER A 50 -11.637 2.009 19.114 1.00 0.00 C ATOM 700 O SER A 50 -11.186 2.365 20.198 1.00 0.00 O ATOM 701 CB SER A 50 -12.450 -0.217 18.336 1.00 0.00 C ATOM 702 OG SER A 50 -12.967 -0.652 19.603 1.00 0.00 O ATOM 0 H SER A 50 -10.732 -0.036 20.390 1.00 0.00 H new ATOM 0 HA SER A 50 -10.762 0.842 17.566 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.222 0.323 17.788 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.176 -1.082 17.732 1.00 0.00 H new ATOM 0 HG SER A 50 -13.748 -1.226 19.458 1.00 0.00 H new ATOM 708 N LEU A 51 -12.419 2.756 18.415 1.00 0.00 N ATOM 709 CA LEU A 51 -12.865 3.941 18.841 1.00 0.00 C ATOM 710 C LEU A 51 -14.227 3.909 19.521 1.00 0.00 C ATOM 711 O LEU A 51 -15.085 3.090 19.205 1.00 0.00 O ATOM 712 CB LEU A 51 -12.962 4.806 17.706 1.00 0.00 C ATOM 713 CG LEU A 51 -13.221 6.145 18.110 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.048 6.613 18.861 1.00 0.00 C ATOM 715 CD2 LEU A 51 -13.533 6.942 16.979 1.00 0.00 C ATOM 0 H LEU A 51 -12.755 2.500 17.487 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.155 4.284 19.593 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.035 4.767 17.134 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.758 4.460 17.047 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.091 6.215 18.763 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.211 7.640 19.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.895 5.975 19.731 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.166 6.572 18.221 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.730 7.965 17.298 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.693 6.934 16.285 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.417 6.540 16.483 1.00 0.00 H new ATOM 727 N LYS A 52 -14.354 4.706 20.546 1.00 0.00 N ATOM 728 CA LYS A 52 -15.660 5.004 21.122 1.00 0.00 C ATOM 729 C LYS A 52 -16.254 6.160 20.472 1.00 0.00 C ATOM 730 O LYS A 52 -17.371 6.109 19.985 1.00 0.00 O ATOM 731 CB LYS A 52 -15.578 5.293 22.590 1.00 0.00 C ATOM 732 CG LYS A 52 -14.871 4.240 23.299 1.00 0.00 C ATOM 733 CD LYS A 52 -15.781 3.072 23.802 1.00 0.00 C ATOM 734 CE LYS A 52 -16.683 2.408 22.734 1.00 0.00 C ATOM 735 NZ LYS A 52 -15.936 1.843 21.577 1.00 0.00 N ATOM 0 H LYS A 52 -13.572 5.168 21.010 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.273 4.116 20.966 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.070 6.244 22.747 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.583 5.397 22.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.104 3.829 22.642 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.357 4.678 24.155 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.144 2.304 24.240 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.417 3.452 24.601 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.260 1.612 23.205 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.397 3.145 22.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.941 2.527 20.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.954 1.647 21.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.390 0.960 21.269 1.00 0.00 H new ATOM 749 N HIS A 53 -15.502 7.167 20.426 1.00 0.00 N ATOM 750 CA HIS A 53 -16.063 8.446 20.017 1.00 0.00 C ATOM 751 C HIS A 53 -15.058 9.331 19.306 1.00 0.00 C ATOM 752 O HIS A 53 -13.908 9.436 19.741 1.00 0.00 O ATOM 753 CB HIS A 53 -16.626 9.167 21.280 1.00 0.00 C ATOM 754 CG HIS A 53 -17.352 10.466 21.032 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.006 11.670 21.614 1.00 0.00 N ATOM 756 CD2 HIS A 53 -18.455 10.720 20.286 1.00 0.00 C ATOM 757 CE1 HIS A 53 -17.886 12.589 21.211 1.00 0.00 C ATOM 758 NE2 HIS A 53 -18.789 12.064 20.403 1.00 0.00 N ATOM 0 H HIS A 53 -14.508 7.172 20.655 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.858 8.253 19.297 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -17.307 8.485 21.790 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.798 9.361 21.962 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.217 11.829 22.241 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -18.990 9.992 19.694 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.863 13.627 21.507 1.00 0.00 H new ATOM 766 N PRO A 54 -15.445 9.911 18.155 1.00 0.00 N ATOM 767 CA PRO A 54 -14.671 10.959 17.531 1.00 0.00 C ATOM 768 C PRO A 54 -14.923 12.238 18.322 1.00 0.00 C ATOM 769 O PRO A 54 -16.014 12.802 18.298 1.00 0.00 O ATOM 770 CB PRO A 54 -15.253 11.074 16.107 1.00 0.00 C ATOM 771 CG PRO A 54 -16.222 9.943 15.974 1.00 0.00 C ATOM 772 CD PRO A 54 -16.638 9.579 17.367 1.00 0.00 C ATOM 0 HA PRO A 54 -13.598 10.772 17.503 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.749 12.034 15.963 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.466 11.006 15.356 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.084 10.238 15.375 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.761 9.093 15.471 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.509 10.148 17.691 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.898 8.524 17.450 1.00 0.00 H new ATOM 780 N GLY A 55 -13.935 12.661 19.015 1.00 0.00 N ATOM 781 CA GLY A 55 -14.072 13.732 19.935 1.00 0.00 C ATOM 782 C GLY A 55 -13.718 13.235 21.303 1.00 0.00 C ATOM 783 O GLY A 55 -13.566 12.029 21.498 1.00 0.00 O ATOM 0 H GLY A 55 -12.994 12.271 18.961 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.420 14.559 19.653 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.093 14.113 19.923 1.00 0.00 H new ATOM 787 N LYS A 56 -13.497 14.135 22.221 1.00 0.00 N ATOM 788 CA LYS A 56 -13.239 13.791 23.577 1.00 0.00 C ATOM 789 C LYS A 56 -14.320 13.035 24.260 1.00 0.00 C ATOM 790 O LYS A 56 -15.468 12.957 23.825 1.00 0.00 O ATOM 791 CB LYS A 56 -13.081 15.023 24.431 1.00 0.00 C ATOM 792 CG LYS A 56 -11.851 15.823 24.270 1.00 0.00 C ATOM 793 CD LYS A 56 -11.771 16.925 25.350 1.00 0.00 C ATOM 794 CE LYS A 56 -11.505 16.392 26.814 1.00 0.00 C ATOM 795 NZ LYS A 56 -12.604 15.543 27.428 1.00 0.00 N ATOM 0 H LYS A 56 -13.493 15.138 22.038 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.342 13.177 23.495 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.932 15.676 24.237 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.146 14.717 25.475 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.978 15.174 24.340 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.833 16.276 23.279 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.977 17.622 25.081 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.704 17.488 25.346 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.585 15.807 26.804 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.330 17.249 27.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.692 15.768 28.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.505 15.743 26.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.368 14.536 27.316 1.00 0.00 H new ATOM 809 N CYS A 57 -13.886 12.504 25.328 1.00 0.00 N ATOM 810 CA CYS A 57 -14.701 12.100 26.399 1.00 0.00 C ATOM 811 C CYS A 57 -14.269 13.048 27.502 1.00 0.00 C ATOM 812 O CYS A 57 -13.152 12.895 28.023 1.00 0.00 O ATOM 813 CB CYS A 57 -14.488 10.622 26.770 1.00 0.00 C ATOM 814 SG CYS A 57 -15.122 9.442 25.515 1.00 0.00 S ATOM 815 OXT CYS A 57 -14.920 14.098 27.673 1.00 0.00 O ATOM 0 H CYS A 57 -12.894 12.328 25.490 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.768 12.151 26.180 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.423 10.444 26.916 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.978 10.422 27.723 1.00 0.00 H new TER 820 CYS A 57