USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.098) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 1.18 F(o=-0.035,f=1.2) USER MOD Single : A 17 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.017) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.1!) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00579) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.664 USER MOD Single : A 29 CYS SG : rot 5:sc= -1.39 USER MOD Single : A 30 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.84) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -51:sc= -0.268 USER MOD Single : A 53 HIS :FLIP no HE2:sc= -0.117 F(o=-0.7,f=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0291 USER MOD Single : A 66 HIS : no HD1:sc= -0.0977 X(o=-0.098,f=-0.25) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 6.157 -6.777 9.150 1.00 10.00 N ATOM 12 CA ASP A 2 7.234 -5.971 8.604 1.00 10.00 C ATOM 13 C ASP A 2 7.010 -5.777 7.103 1.00 10.00 C ATOM 14 O ASP A 2 6.955 -4.647 6.621 1.00 10.00 O ATOM 15 CB ASP A 2 8.588 -6.658 8.795 1.00 10.00 C ATOM 16 CG ASP A 2 9.800 -5.726 8.740 1.00 10.00 C ATOM 17 OD1 ASP A 2 9.818 -4.872 7.827 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.681 -5.888 9.611 1.00 10.00 O ATOM 0 HA ASP A 2 7.238 -5.015 9.127 1.00 10.00 H new ATOM 0 HB2 ASP A 2 8.586 -7.170 9.757 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.702 -7.423 8.027 1.00 10.00 H new ATOM 23 N VAL A 3 6.887 -6.897 6.406 1.00 10.00 N ATOM 24 CA VAL A 3 6.670 -6.865 4.969 1.00 10.00 C ATOM 25 C VAL A 3 5.575 -7.866 4.600 1.00 10.00 C ATOM 26 O VAL A 3 5.687 -9.053 4.902 1.00 10.00 O ATOM 27 CB VAL A 3 7.988 -7.123 4.235 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.606 -8.453 4.669 1.00 10.00 C ATOM 29 CG2 VAL A 3 7.789 -7.079 2.719 1.00 10.00 C ATOM 0 H VAL A 3 6.933 -7.833 6.809 1.00 10.00 H new ATOM 0 HA VAL A 3 6.327 -5.879 4.657 1.00 10.00 H new ATOM 0 HB VAL A 3 8.683 -6.328 4.504 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.541 -8.612 4.132 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.802 -8.431 5.741 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.916 -9.266 4.443 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.741 -7.265 2.222 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.070 -7.843 2.424 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.415 -6.097 2.430 1.00 10.00 H new ATOM 39 N VAL A 4 4.539 -7.351 3.953 1.00 10.00 N ATOM 40 CA VAL A 4 3.424 -8.185 3.540 1.00 10.00 C ATOM 41 C VAL A 4 3.478 -8.388 2.024 1.00 10.00 C ATOM 42 O VAL A 4 2.758 -7.726 1.279 1.00 10.00 O ATOM 43 CB VAL A 4 2.106 -7.569 4.013 1.00 10.00 C ATOM 44 CG1 VAL A 4 0.933 -8.516 3.750 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.180 -7.186 5.492 1.00 10.00 C ATOM 0 H VAL A 4 4.449 -6.366 3.705 1.00 10.00 H new ATOM 0 HA VAL A 4 3.492 -9.169 4.003 1.00 10.00 H new ATOM 0 HB VAL A 4 1.937 -6.658 3.439 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.008 -8.054 4.095 1.00 10.00 H new ATOM 0 HG12 VAL A 4 0.861 -8.718 2.681 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.094 -9.452 4.286 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.230 -6.750 5.803 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.384 -8.075 6.088 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.978 -6.459 5.640 1.00 10.00 H new ATOM 55 N THR A 5 4.341 -9.307 1.614 1.00 10.00 N ATOM 56 CA THR A 5 4.499 -9.605 0.200 1.00 10.00 C ATOM 57 C THR A 5 3.325 -10.448 -0.301 1.00 10.00 C ATOM 58 O THR A 5 3.117 -11.568 0.161 1.00 10.00 O ATOM 59 CB THR A 5 5.857 -10.282 0.009 1.00 10.00 C ATOM 60 OG1 THR A 5 6.797 -9.219 0.147 1.00 10.00 O ATOM 61 CG2 THR A 5 6.067 -10.780 -1.423 1.00 10.00 C ATOM 0 H THR A 5 4.937 -9.854 2.235 1.00 10.00 H new ATOM 0 HA THR A 5 4.485 -8.695 -0.400 1.00 10.00 H new ATOM 0 HB THR A 5 5.946 -11.119 0.702 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.706 -9.570 0.039 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.046 -11.252 -1.504 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.293 -11.505 -1.673 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.012 -9.938 -2.113 1.00 10.00 H new ATOM 69 N TYR A 6 2.587 -9.876 -1.242 1.00 10.00 N ATOM 70 CA TYR A 6 1.439 -10.561 -1.811 1.00 10.00 C ATOM 71 C TYR A 6 1.690 -10.930 -3.275 1.00 10.00 C ATOM 72 O TYR A 6 1.639 -10.071 -4.153 1.00 10.00 O ATOM 73 CB TYR A 6 0.277 -9.566 -1.741 1.00 10.00 C ATOM 74 CG TYR A 6 -0.383 -9.477 -0.364 1.00 10.00 C ATOM 75 CD1 TYR A 6 -0.718 -10.630 0.317 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.645 -8.244 0.197 1.00 10.00 C ATOM 77 CE1 TYR A 6 -1.340 -10.546 1.613 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.267 -8.160 1.493 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.583 -9.315 2.137 1.00 10.00 C ATOM 80 OH TYR A 6 -2.170 -9.236 3.360 1.00 10.00 O ATOM 0 H TYR A 6 2.762 -8.947 -1.624 1.00 10.00 H new ATOM 0 HA TYR A 6 1.234 -11.483 -1.267 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.641 -8.578 -2.023 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.476 -9.850 -2.476 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -0.514 -11.595 -0.122 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.384 -7.342 -0.336 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -1.607 -11.440 2.156 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.478 -7.201 1.943 1.00 10.00 H new ATOM 0 HH TYR A 6 -2.282 -8.295 3.609 1.00 10.00 H new ATOM 90 N GLU A 7 1.958 -12.209 -3.491 1.00 10.00 N ATOM 91 CA GLU A 7 2.217 -12.703 -4.833 1.00 10.00 C ATOM 92 C GLU A 7 1.005 -12.459 -5.733 1.00 10.00 C ATOM 93 O GLU A 7 -0.076 -12.993 -5.484 1.00 10.00 O ATOM 94 CB GLU A 7 2.592 -14.186 -4.809 1.00 10.00 C ATOM 95 CG GLU A 7 3.883 -14.412 -4.018 1.00 10.00 C ATOM 96 CD GLU A 7 3.586 -15.026 -2.649 1.00 10.00 C ATOM 97 OE1 GLU A 7 2.578 -14.603 -2.043 1.00 10.00 O ATOM 98 OE2 GLU A 7 4.375 -15.906 -2.238 1.00 10.00 O ATOM 0 H GLU A 7 2.001 -12.918 -2.759 1.00 10.00 H new ATOM 0 HA GLU A 7 3.065 -12.154 -5.243 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.782 -14.763 -4.362 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.718 -14.550 -5.829 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.547 -15.069 -4.579 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.406 -13.464 -3.890 1.00 10.00 H new ATOM 105 N ASN A 8 1.223 -11.651 -6.761 1.00 10.00 N ATOM 106 CA ASN A 8 0.160 -11.330 -7.698 1.00 10.00 C ATOM 107 C ASN A 8 0.297 -12.216 -8.939 1.00 10.00 C ATOM 108 O ASN A 8 1.162 -13.088 -8.991 1.00 10.00 O ATOM 109 CB ASN A 8 0.246 -9.870 -8.149 1.00 10.00 C ATOM 110 CG ASN A 8 -0.574 -8.964 -7.227 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.771 -9.124 -7.062 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.137 -8.006 -6.640 1.00 10.00 N ATOM 0 H ASN A 8 2.120 -11.210 -6.965 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.794 -11.498 -7.198 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.287 -9.547 -8.151 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.118 -9.779 -9.172 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.318 -7.348 -6.007 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.138 -7.929 -6.823 1.00 10.00 H new ATOM 119 N LYS A 9 -0.571 -11.960 -9.907 1.00 10.00 N ATOM 120 CA LYS A 9 -0.559 -12.723 -11.143 1.00 10.00 C ATOM 121 C LYS A 9 0.515 -12.158 -12.076 1.00 10.00 C ATOM 122 O LYS A 9 1.434 -12.872 -12.474 1.00 10.00 O ATOM 123 CB LYS A 9 -1.956 -12.758 -11.765 1.00 10.00 C ATOM 124 CG LYS A 9 -2.103 -13.947 -12.718 1.00 10.00 C ATOM 125 CD LYS A 9 -2.617 -15.182 -11.977 1.00 10.00 C ATOM 126 CE LYS A 9 -4.044 -15.526 -12.407 1.00 10.00 C ATOM 127 NZ LYS A 9 -4.273 -16.985 -12.323 1.00 10.00 N ATOM 0 H LYS A 9 -1.287 -11.235 -9.860 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.297 -13.762 -10.946 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.707 -12.824 -10.978 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -2.141 -11.829 -12.305 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -2.791 -13.689 -13.524 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.141 -14.169 -13.179 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -1.960 -16.029 -12.175 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -2.591 -15.003 -10.902 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.758 -15.003 -11.771 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -4.215 -15.183 -13.427 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -5.246 -17.201 -12.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.604 -17.478 -12.948 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.130 -17.303 -11.343 1.00 10.00 H new ATOM 141 N LYS A 10 0.364 -10.881 -12.396 1.00 10.00 N ATOM 142 CA LYS A 10 1.309 -10.212 -13.274 1.00 10.00 C ATOM 143 C LYS A 10 2.048 -9.127 -12.488 1.00 10.00 C ATOM 144 O LYS A 10 1.920 -7.942 -12.787 1.00 10.00 O ATOM 145 CB LYS A 10 0.601 -9.690 -14.526 1.00 10.00 C ATOM 146 CG LYS A 10 -0.126 -10.821 -15.257 1.00 10.00 C ATOM 147 CD LYS A 10 0.601 -11.193 -16.550 1.00 10.00 C ATOM 148 CE LYS A 10 -0.013 -10.471 -17.751 1.00 10.00 C ATOM 149 NZ LYS A 10 0.928 -10.474 -18.894 1.00 10.00 N ATOM 0 H LYS A 10 -0.399 -10.292 -12.063 1.00 10.00 H new ATOM 0 HA LYS A 10 2.061 -10.916 -13.632 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.113 -8.914 -14.248 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.329 -9.229 -15.194 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.192 -11.695 -14.608 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -1.147 -10.515 -15.485 1.00 10.00 H new ATOM 0 HD2 LYS A 10 1.656 -10.934 -16.466 1.00 10.00 H new ATOM 0 HD3 LYS A 10 0.549 -12.271 -16.704 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -0.945 -10.958 -18.038 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -0.260 -9.445 -17.479 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 0.496 -9.980 -19.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 1.807 -9.989 -18.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 1.143 -11.455 -19.164 1.00 10.00 H new ATOM 163 N GLY A 11 2.808 -9.573 -11.498 1.00 10.00 N ATOM 164 CA GLY A 11 3.568 -8.656 -10.667 1.00 10.00 C ATOM 165 C GLY A 11 3.799 -9.241 -9.272 1.00 10.00 C ATOM 166 O GLY A 11 3.521 -10.416 -9.034 1.00 10.00 O ATOM 0 H GLY A 11 2.913 -10.558 -11.253 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.527 -8.442 -11.139 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.035 -7.709 -10.584 1.00 10.00 H new ATOM 170 N ASN A 12 4.304 -8.396 -8.386 1.00 10.00 N ATOM 171 CA ASN A 12 4.574 -8.814 -7.021 1.00 10.00 C ATOM 172 C ASN A 12 4.696 -7.579 -6.128 1.00 10.00 C ATOM 173 O ASN A 12 5.694 -6.862 -6.187 1.00 10.00 O ATOM 174 CB ASN A 12 5.889 -9.593 -6.934 1.00 10.00 C ATOM 175 CG ASN A 12 5.645 -11.033 -6.478 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.280 -11.359 -5.357 1.00 10.00 O flip ATOM 177 ND2 ASN A 12 4.926 -11.795 -7.103 1.00 10.00 N flip ATOM 0 H ASN A 12 4.534 -7.423 -8.587 1.00 10.00 H new ATOM 0 HA ASN A 12 3.753 -9.453 -6.696 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.380 -9.594 -7.907 1.00 10.00 H new ATOM 0 HB3 ASN A 12 6.564 -9.097 -6.237 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.468 -11.478 -7.958 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.783 -12.749 -6.771 1.00 10.00 H new ATOM 184 N VAL A 13 3.666 -7.368 -5.320 1.00 10.00 N ATOM 185 CA VAL A 13 3.647 -6.231 -4.415 1.00 10.00 C ATOM 186 C VAL A 13 4.380 -6.600 -3.124 1.00 10.00 C ATOM 187 O VAL A 13 4.020 -7.569 -2.457 1.00 10.00 O ATOM 188 CB VAL A 13 2.204 -5.779 -4.176 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.370 -6.906 -3.564 1.00 10.00 C ATOM 190 CG2 VAL A 13 2.162 -4.526 -3.299 1.00 10.00 C ATOM 0 H VAL A 13 2.840 -7.965 -5.274 1.00 10.00 H new ATOM 0 HA VAL A 13 4.172 -5.383 -4.855 1.00 10.00 H new ATOM 0 HB VAL A 13 1.767 -5.527 -5.142 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.349 -6.558 -3.405 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.361 -7.760 -4.241 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.805 -7.204 -2.610 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.126 -4.225 -3.144 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.626 -4.740 -2.336 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.704 -3.719 -3.791 1.00 10.00 H new ATOM 200 N THR A 14 5.393 -5.807 -2.809 1.00 10.00 N ATOM 201 CA THR A 14 6.179 -6.037 -1.610 1.00 10.00 C ATOM 202 C THR A 14 5.788 -5.042 -0.516 1.00 10.00 C ATOM 203 O THR A 14 6.627 -4.282 -0.035 1.00 10.00 O ATOM 204 CB THR A 14 7.659 -5.968 -1.993 1.00 10.00 C ATOM 205 OG1 THR A 14 7.873 -7.146 -2.766 1.00 10.00 O ATOM 206 CG2 THR A 14 8.585 -6.140 -0.788 1.00 10.00 C ATOM 0 H THR A 14 5.688 -5.004 -3.364 1.00 10.00 H new ATOM 0 HA THR A 14 5.982 -7.025 -1.193 1.00 10.00 H new ATOM 0 HB THR A 14 7.864 -5.012 -2.475 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.808 -7.181 -3.057 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.623 -6.083 -1.116 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.389 -5.350 -0.063 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.404 -7.110 -0.325 1.00 10.00 H new ATOM 214 N PHE A 15 4.514 -5.078 -0.155 1.00 10.00 N ATOM 215 CA PHE A 15 4.001 -4.189 0.873 1.00 10.00 C ATOM 216 C PHE A 15 4.940 -4.147 2.081 1.00 10.00 C ATOM 217 O PHE A 15 5.814 -5.001 2.221 1.00 10.00 O ATOM 218 CB PHE A 15 2.647 -4.748 1.313 1.00 10.00 C ATOM 219 CG PHE A 15 1.666 -3.682 1.809 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.593 -2.479 1.180 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.867 -3.940 2.880 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.683 -1.491 1.640 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.043 -2.952 3.340 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.116 -1.749 2.711 1.00 10.00 C ATOM 0 H PHE A 15 3.821 -5.710 -0.557 1.00 10.00 H new ATOM 0 HA PHE A 15 3.914 -3.176 0.479 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.196 -5.281 0.476 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.807 -5.478 2.107 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.227 -2.275 0.330 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.925 -4.896 3.380 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.625 -0.535 1.140 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -0.677 -3.156 4.190 1.00 10.00 H new ATOM 0 HZ PHE A 15 -0.808 -0.998 3.061 1.00 10.00 H new ATOM 234 N ASP A 16 4.727 -3.146 2.921 1.00 10.00 N ATOM 235 CA ASP A 16 5.543 -2.982 4.113 1.00 10.00 C ATOM 236 C ASP A 16 4.648 -2.582 5.288 1.00 10.00 C ATOM 237 O ASP A 16 3.798 -1.703 5.153 1.00 10.00 O ATOM 238 CB ASP A 16 6.588 -1.882 3.918 1.00 10.00 C ATOM 239 CG ASP A 16 7.756 -2.254 3.003 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.376 -3.306 3.274 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.005 -1.478 2.055 1.00 10.00 O ATOM 0 H ASP A 16 4.001 -2.440 2.801 1.00 10.00 H new ATOM 0 HA ASP A 16 6.048 -3.928 4.309 1.00 10.00 H new ATOM 0 HB2 ASP A 16 6.094 -1.000 3.510 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.985 -1.602 4.894 1.00 10.00 H new ATOM 246 N HIS A 17 4.871 -3.246 6.412 1.00 10.00 N ATOM 247 CA HIS A 17 4.096 -2.970 7.610 1.00 10.00 C ATOM 248 C HIS A 17 4.966 -2.226 8.624 1.00 10.00 C ATOM 249 O HIS A 17 4.511 -1.276 9.258 1.00 10.00 O ATOM 250 CB HIS A 17 3.495 -4.259 8.176 1.00 10.00 C ATOM 251 CG HIS A 17 2.078 -4.107 8.676 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.638 -4.671 9.861 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.009 -3.449 8.143 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.360 -4.360 10.023 1.00 10.00 C ATOM 255 NE2 HIS A 17 -0.028 -3.604 8.957 1.00 10.00 N ATOM 0 H HIS A 17 5.577 -3.974 6.519 1.00 10.00 H new ATOM 0 HA HIS A 17 3.254 -2.323 7.363 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.517 -5.028 7.404 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.123 -4.612 8.994 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.007 -2.896 7.216 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.264 -4.654 10.854 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.962 -3.221 8.809 1.00 10.00 H new ATOM 263 N LYS A 18 6.201 -2.688 8.748 1.00 10.00 N ATOM 264 CA LYS A 18 7.139 -2.078 9.675 1.00 10.00 C ATOM 265 C LYS A 18 8.065 -1.131 8.908 1.00 10.00 C ATOM 266 O LYS A 18 8.557 -0.152 9.467 1.00 10.00 O ATOM 267 CB LYS A 18 7.883 -3.153 10.469 1.00 10.00 C ATOM 268 CG LYS A 18 8.592 -2.547 11.683 1.00 10.00 C ATOM 269 CD LYS A 18 8.623 -3.535 12.850 1.00 10.00 C ATOM 270 CE LYS A 18 9.379 -2.950 14.044 1.00 10.00 C ATOM 271 NZ LYS A 18 10.839 -3.079 13.848 1.00 10.00 N ATOM 0 H LYS A 18 6.574 -3.478 8.222 1.00 10.00 H new ATOM 0 HA LYS A 18 6.608 -1.478 10.414 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.180 -3.918 10.798 1.00 10.00 H new ATOM 0 HB3 LYS A 18 8.612 -3.646 9.826 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.610 -2.267 11.412 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.081 -1.634 11.989 1.00 10.00 H new ATOM 0 HD2 LYS A 18 7.604 -3.785 13.147 1.00 10.00 H new ATOM 0 HD3 LYS A 18 9.099 -4.463 12.533 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.115 -1.900 14.170 1.00 10.00 H new ATOM 0 HE3 LYS A 18 9.082 -3.465 14.957 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 11.336 -2.677 14.668 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 11.089 -4.084 13.750 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 11.120 -2.567 12.987 1.00 10.00 H new ATOM 285 N ALA A 19 8.273 -1.455 7.641 1.00 10.00 N ATOM 286 CA ALA A 19 9.130 -0.646 6.792 1.00 10.00 C ATOM 287 C ALA A 19 8.416 0.665 6.457 1.00 10.00 C ATOM 288 O ALA A 19 9.060 1.698 6.275 1.00 10.00 O ATOM 289 CB ALA A 19 9.508 -1.440 5.540 1.00 10.00 C ATOM 0 H ALA A 19 7.862 -2.268 7.181 1.00 10.00 H new ATOM 0 HA ALA A 19 10.056 -0.396 7.310 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.151 -0.832 4.904 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.038 -2.347 5.831 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.604 -1.708 4.992 1.00 10.00 H new ATOM 295 N HIS A 20 7.096 0.582 6.383 1.00 10.00 N ATOM 296 CA HIS A 20 6.289 1.749 6.073 1.00 10.00 C ATOM 297 C HIS A 20 5.960 2.504 7.362 1.00 10.00 C ATOM 298 O HIS A 20 6.203 3.706 7.462 1.00 10.00 O ATOM 299 CB HIS A 20 5.039 1.351 5.285 1.00 10.00 C ATOM 300 CG HIS A 20 5.200 1.452 3.787 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.407 1.235 3.146 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.294 1.750 2.811 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.225 1.398 1.844 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.915 1.718 1.638 1.00 10.00 N ATOM 0 H HIS A 20 6.565 -0.276 6.533 1.00 10.00 H new ATOM 0 HA HIS A 20 6.854 2.425 5.431 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.770 0.327 5.543 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.209 1.986 5.595 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.249 1.974 2.966 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.981 1.296 1.080 1.00 10.00 H new ATOM 0 HE2 HIS A 20 4.484 1.902 0.732 1.00 10.00 H new ATOM 312 N ALA A 21 5.412 1.767 8.318 1.00 10.00 N ATOM 313 CA ALA A 21 5.047 2.352 9.597 1.00 10.00 C ATOM 314 C ALA A 21 6.110 3.372 10.009 1.00 10.00 C ATOM 315 O ALA A 21 5.803 4.364 10.668 1.00 10.00 O ATOM 316 CB ALA A 21 4.873 1.241 10.635 1.00 10.00 C ATOM 0 H ALA A 21 5.212 0.770 8.232 1.00 10.00 H new ATOM 0 HA ALA A 21 4.096 2.879 9.520 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.599 1.679 11.595 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.087 0.559 10.310 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.809 0.692 10.741 1.00 10.00 H new ATOM 322 N GLU A 22 7.340 3.094 9.601 1.00 10.00 N ATOM 323 CA GLU A 22 8.451 3.977 9.918 1.00 10.00 C ATOM 324 C GLU A 22 8.132 5.409 9.485 1.00 10.00 C ATOM 325 O GLU A 22 8.195 6.333 10.293 1.00 10.00 O ATOM 326 CB GLU A 22 9.745 3.483 9.269 1.00 10.00 C ATOM 327 CG GLU A 22 10.050 2.041 9.680 1.00 10.00 C ATOM 328 CD GLU A 22 11.444 1.930 10.299 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.358 2.591 9.761 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.565 1.186 11.296 1.00 10.00 O ATOM 0 H GLU A 22 7.592 2.271 9.054 1.00 10.00 H new ATOM 0 HA GLU A 22 8.599 3.970 10.998 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.658 3.545 8.184 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.572 4.130 9.560 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.302 1.697 10.395 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.982 1.389 8.809 1.00 10.00 H new ATOM 337 N LYS A 23 7.797 5.547 8.211 1.00 10.00 N ATOM 338 CA LYS A 23 7.468 6.851 7.661 1.00 10.00 C ATOM 339 C LYS A 23 5.981 7.133 7.882 1.00 10.00 C ATOM 340 O LYS A 23 5.619 8.157 8.460 1.00 10.00 O ATOM 341 CB LYS A 23 7.899 6.939 6.196 1.00 10.00 C ATOM 342 CG LYS A 23 9.413 7.126 6.080 1.00 10.00 C ATOM 343 CD LYS A 23 9.761 8.567 5.701 1.00 10.00 C ATOM 344 CE LYS A 23 11.239 8.862 5.961 1.00 10.00 C ATOM 345 NZ LYS A 23 12.093 8.094 5.028 1.00 10.00 N ATOM 0 H LYS A 23 7.746 4.777 7.544 1.00 10.00 H new ATOM 0 HA LYS A 23 8.022 7.633 8.180 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.600 6.032 5.670 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.388 7.772 5.712 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.888 6.871 7.027 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.811 6.443 5.330 1.00 10.00 H new ATOM 0 HD2 LYS A 23 9.533 8.735 4.648 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.143 9.257 6.275 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.429 9.929 5.843 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.492 8.605 6.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 13.090 8.344 5.184 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.961 7.076 5.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.828 8.321 4.048 1.00 10.00 H new ATOM 359 N LEU A 24 5.159 6.207 7.410 1.00 10.00 N ATOM 360 CA LEU A 24 3.719 6.343 7.550 1.00 10.00 C ATOM 361 C LEU A 24 3.382 6.692 9.001 1.00 10.00 C ATOM 362 O LEU A 24 3.182 7.859 9.332 1.00 10.00 O ATOM 363 CB LEU A 24 3.011 5.087 7.039 1.00 10.00 C ATOM 364 CG LEU A 24 3.034 4.873 5.523 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.453 4.581 5.033 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.047 3.779 5.109 1.00 10.00 C ATOM 0 H LEU A 24 5.463 5.360 6.930 1.00 10.00 H new ATOM 0 HA LEU A 24 3.352 7.162 6.932 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.466 4.218 7.515 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.972 5.122 7.365 1.00 10.00 H new ATOM 0 HG LEU A 24 2.711 5.796 5.042 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.442 4.433 3.953 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.102 5.422 5.277 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.828 3.680 5.519 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.083 3.647 4.028 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.315 2.843 5.598 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.039 4.067 5.406 1.00 10.00 H new ATOM 378 N GLY A 25 3.330 5.658 9.827 1.00 10.00 N ATOM 379 CA GLY A 25 3.020 5.841 11.235 1.00 10.00 C ATOM 380 C GLY A 25 1.742 5.091 11.617 1.00 10.00 C ATOM 381 O GLY A 25 1.099 5.421 12.614 1.00 10.00 O ATOM 0 H GLY A 25 3.497 4.691 9.549 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.851 5.484 11.843 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.901 6.903 11.450 1.00 10.00 H new ATOM 385 N CYS A 26 1.410 4.099 10.805 1.00 10.00 N ATOM 386 CA CYS A 26 0.221 3.301 11.045 1.00 10.00 C ATOM 387 C CYS A 26 -1.006 4.177 10.786 1.00 10.00 C ATOM 388 O CYS A 26 -1.755 3.940 9.840 1.00 10.00 O ATOM 389 CB CYS A 26 0.212 2.709 12.456 1.00 10.00 C ATOM 390 SG CYS A 26 1.867 2.331 13.140 1.00 10.00 S ATOM 0 H CYS A 26 1.945 3.830 9.979 1.00 10.00 H new ATOM 0 HA CYS A 26 0.208 2.449 10.365 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.291 3.407 13.125 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.380 1.794 12.447 1.00 10.00 H new ATOM 0 HG CYS A 26 1.740 1.838 14.336 1.00 10.00 H new ATOM 395 N ASP A 27 -1.175 5.172 11.646 1.00 10.00 N ATOM 396 CA ASP A 27 -2.298 6.085 11.522 1.00 10.00 C ATOM 397 C ASP A 27 -2.452 6.502 10.057 1.00 10.00 C ATOM 398 O ASP A 27 -3.557 6.794 9.604 1.00 10.00 O ATOM 399 CB ASP A 27 -2.073 7.351 12.352 1.00 10.00 C ATOM 400 CG ASP A 27 -1.460 7.116 13.735 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.050 6.312 14.488 1.00 10.00 O ATOM 402 OD2 ASP A 27 -0.416 7.747 14.007 1.00 10.00 O ATOM 0 H ASP A 27 -0.553 5.365 12.431 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.190 5.572 11.881 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.423 8.024 11.792 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.028 7.861 12.476 1.00 10.00 H new ATOM 407 N ALA A 28 -1.327 6.517 9.358 1.00 10.00 N ATOM 408 CA ALA A 28 -1.323 6.893 7.955 1.00 10.00 C ATOM 409 C ALA A 28 -2.348 6.043 7.201 1.00 10.00 C ATOM 410 O ALA A 28 -3.008 6.530 6.284 1.00 10.00 O ATOM 411 CB ALA A 28 0.090 6.739 7.389 1.00 10.00 C ATOM 0 H ALA A 28 -0.412 6.275 9.737 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.610 7.938 7.837 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.093 7.021 6.336 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.775 7.384 7.939 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.410 5.702 7.488 1.00 10.00 H new ATOM 417 N CYS A 29 -2.450 4.789 7.616 1.00 10.00 N ATOM 418 CA CYS A 29 -3.384 3.868 6.991 1.00 10.00 C ATOM 419 C CYS A 29 -4.504 3.569 7.989 1.00 10.00 C ATOM 420 O CYS A 29 -5.679 3.775 7.689 1.00 10.00 O ATOM 421 CB CYS A 29 -2.687 2.592 6.516 1.00 10.00 C ATOM 422 SG CYS A 29 -1.253 2.865 5.411 1.00 10.00 S ATOM 0 H CYS A 29 -1.901 4.389 8.377 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.808 4.326 6.097 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.353 2.031 7.389 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.415 1.969 5.996 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.020 4.140 5.309 1.00 10.00 H new ATOM 427 N HIS A 30 -4.101 3.087 9.156 1.00 10.00 N ATOM 428 CA HIS A 30 -5.055 2.758 10.200 1.00 10.00 C ATOM 429 C HIS A 30 -5.399 4.017 10.999 1.00 10.00 C ATOM 430 O HIS A 30 -4.930 5.107 10.675 1.00 10.00 O ATOM 431 CB HIS A 30 -4.529 1.623 11.080 1.00 10.00 C ATOM 432 CG HIS A 30 -4.027 0.428 10.305 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.811 -0.685 10.052 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.815 0.183 9.731 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.092 -1.554 9.357 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.855 -1.014 9.160 1.00 10.00 N ATOM 0 H HIS A 30 -3.126 2.917 9.401 1.00 10.00 H new ATOM 0 HA HIS A 30 -5.978 2.393 9.750 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.720 2.005 11.703 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.324 1.300 11.752 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -1.966 0.850 9.740 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.426 -2.520 9.008 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -2.087 -1.458 8.656 1.00 10.00 H new ATOM 444 N GLU A 31 -6.213 3.824 12.026 1.00 10.00 N ATOM 445 CA GLU A 31 -6.623 4.931 12.873 1.00 10.00 C ATOM 446 C GLU A 31 -7.574 4.439 13.966 1.00 10.00 C ATOM 447 O GLU A 31 -8.759 4.221 13.712 1.00 10.00 O ATOM 448 CB GLU A 31 -7.269 6.045 12.046 1.00 10.00 C ATOM 449 CG GLU A 31 -7.764 7.179 12.946 1.00 10.00 C ATOM 450 CD GLU A 31 -9.197 7.576 12.587 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.091 6.728 12.797 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.367 8.720 12.112 1.00 10.00 O ATOM 0 H GLU A 31 -6.600 2.918 12.291 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.735 5.346 13.350 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -6.548 6.435 11.328 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.103 5.640 11.473 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -7.720 6.866 13.989 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.107 8.043 12.844 1.00 10.00 H new ATOM 459 N GLY A 32 -7.021 4.277 15.158 1.00 10.00 N ATOM 460 CA GLY A 32 -7.804 3.813 16.291 1.00 10.00 C ATOM 461 C GLY A 32 -8.153 2.330 16.147 1.00 10.00 C ATOM 462 O GLY A 32 -9.206 1.985 15.612 1.00 10.00 O ATOM 0 H GLY A 32 -6.039 4.459 15.365 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -7.244 3.971 17.213 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.719 4.400 16.369 1.00 10.00 H new ATOM 466 N THR A 33 -7.250 1.493 16.634 1.00 10.00 N ATOM 467 CA THR A 33 -7.448 0.055 16.566 1.00 10.00 C ATOM 468 C THR A 33 -7.291 -0.438 15.126 1.00 10.00 C ATOM 469 O THR A 33 -8.182 -0.247 14.300 1.00 10.00 O ATOM 470 CB THR A 33 -8.817 -0.262 17.170 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.811 0.419 18.422 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.963 -1.737 17.548 1.00 10.00 C ATOM 0 H THR A 33 -6.379 1.783 17.078 1.00 10.00 H new ATOM 0 HA THR A 33 -6.691 -0.476 17.142 1.00 10.00 H new ATOM 0 HB THR A 33 -9.598 0.009 16.460 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.664 0.268 18.881 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.953 -1.908 17.972 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.838 -2.355 16.659 1.00 10.00 H new ATOM 0 HG23 THR A 33 -8.203 -2.001 18.283 1.00 10.00 H new ATOM 480 N PRO A 34 -6.120 -1.077 14.862 1.00 10.00 N ATOM 481 CA PRO A 34 -5.833 -1.599 13.537 1.00 10.00 C ATOM 482 C PRO A 34 -6.632 -2.876 13.266 1.00 10.00 C ATOM 483 O PRO A 34 -7.182 -3.475 14.188 1.00 10.00 O ATOM 484 CB PRO A 34 -4.330 -1.824 13.518 1.00 10.00 C ATOM 485 CG PRO A 34 -3.897 -1.862 14.974 1.00 10.00 C ATOM 486 CD PRO A 34 -5.041 -1.320 15.816 1.00 10.00 C ATOM 0 HA PRO A 34 -6.129 -0.914 12.743 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.081 -2.757 13.012 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.822 -1.024 12.980 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.653 -2.881 15.273 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.998 -1.263 15.121 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.343 -2.035 16.582 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.754 -0.403 16.331 1.00 10.00 H new ATOM 494 N ALA A 35 -6.670 -3.254 11.996 1.00 10.00 N ATOM 495 CA ALA A 35 -7.392 -4.448 11.593 1.00 10.00 C ATOM 496 C ALA A 35 -6.989 -4.824 10.166 1.00 10.00 C ATOM 497 O ALA A 35 -6.092 -4.212 9.588 1.00 10.00 O ATOM 498 CB ALA A 35 -8.896 -4.206 11.729 1.00 10.00 C ATOM 0 H ALA A 35 -6.212 -2.754 11.234 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.137 -5.287 12.240 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.438 -5.102 11.426 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.134 -3.971 12.766 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.189 -3.372 11.091 1.00 10.00 H new ATOM 504 N LYS A 36 -7.672 -5.829 9.637 1.00 10.00 N ATOM 505 CA LYS A 36 -7.396 -6.295 8.288 1.00 10.00 C ATOM 506 C LYS A 36 -8.144 -5.412 7.286 1.00 10.00 C ATOM 507 O LYS A 36 -9.360 -5.524 7.142 1.00 10.00 O ATOM 508 CB LYS A 36 -7.721 -7.783 8.158 1.00 10.00 C ATOM 509 CG LYS A 36 -9.141 -8.079 8.642 1.00 10.00 C ATOM 510 CD LYS A 36 -9.667 -9.383 8.038 1.00 10.00 C ATOM 511 CE LYS A 36 -11.085 -9.203 7.493 1.00 10.00 C ATOM 512 NZ LYS A 36 -12.022 -10.124 8.174 1.00 10.00 N ATOM 0 H LYS A 36 -8.416 -6.334 10.118 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.333 -6.204 8.063 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.616 -8.092 7.118 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -7.006 -8.367 8.738 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -9.151 -8.148 9.730 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.801 -7.256 8.369 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -9.004 -9.710 7.237 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.662 -10.167 8.795 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -11.409 -8.172 7.638 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -11.095 -9.392 6.420 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.980 -9.989 7.793 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.721 -11.106 8.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.025 -9.924 9.195 1.00 10.00 H new ATOM 526 N ILE A 37 -7.385 -4.554 6.620 1.00 10.00 N ATOM 527 CA ILE A 37 -7.960 -3.654 5.637 1.00 10.00 C ATOM 528 C ILE A 37 -8.270 -4.433 4.357 1.00 10.00 C ATOM 529 O ILE A 37 -7.816 -5.564 4.189 1.00 10.00 O ATOM 530 CB ILE A 37 -7.045 -2.447 5.415 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.671 -1.790 6.745 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.678 -1.451 4.441 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.568 -0.749 6.551 1.00 10.00 C ATOM 0 H ILE A 37 -6.376 -4.464 6.743 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.904 -3.248 6.000 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.120 -2.799 4.959 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.551 -1.316 7.181 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.337 -2.552 7.450 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.008 -0.603 4.301 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.851 -1.940 3.482 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.627 -1.100 4.845 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -5.321 -0.297 7.512 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.682 -1.231 6.138 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.914 0.024 5.865 1.00 10.00 H new ATOM 545 N ALA A 38 -9.042 -3.798 3.487 1.00 10.00 N ATOM 546 CA ALA A 38 -9.418 -4.418 2.228 1.00 10.00 C ATOM 547 C ALA A 38 -8.156 -4.733 1.422 1.00 10.00 C ATOM 548 O ALA A 38 -7.311 -5.510 1.864 1.00 10.00 O ATOM 549 CB ALA A 38 -10.379 -3.498 1.472 1.00 10.00 C ATOM 0 H ALA A 38 -9.417 -2.860 3.629 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.939 -5.359 2.405 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.661 -3.963 0.528 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.272 -3.330 2.075 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -9.890 -2.544 1.275 1.00 10.00 H new ATOM 555 N ILE A 39 -8.068 -4.112 0.255 1.00 10.00 N ATOM 556 CA ILE A 39 -6.924 -4.317 -0.616 1.00 10.00 C ATOM 557 C ILE A 39 -6.958 -5.742 -1.171 1.00 10.00 C ATOM 558 O ILE A 39 -7.228 -6.691 -0.436 1.00 10.00 O ATOM 559 CB ILE A 39 -5.625 -3.972 0.116 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.600 -2.498 0.524 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.404 -4.356 -0.724 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.277 -1.841 0.124 1.00 10.00 C ATOM 0 H ILE A 39 -8.770 -3.467 -0.107 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.970 -3.642 -1.471 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.583 -4.560 1.033 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -6.429 -1.972 0.051 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -5.742 -2.413 1.601 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.494 -4.100 -0.181 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.420 -5.428 -0.921 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.427 -3.813 -1.669 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.285 -0.794 0.425 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.452 -2.354 0.618 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.150 -1.907 -0.957 1.00 10.00 H new ATOM 574 N ASP A 40 -6.680 -5.848 -2.462 1.00 10.00 N ATOM 575 CA ASP A 40 -6.676 -7.141 -3.123 1.00 10.00 C ATOM 576 C ASP A 40 -6.768 -6.936 -4.637 1.00 10.00 C ATOM 577 O ASP A 40 -5.957 -7.473 -5.390 1.00 10.00 O ATOM 578 CB ASP A 40 -7.875 -7.986 -2.688 1.00 10.00 C ATOM 579 CG ASP A 40 -7.520 -9.287 -1.963 1.00 10.00 C ATOM 580 OD1 ASP A 40 -6.828 -10.116 -2.593 1.00 10.00 O ATOM 581 OD2 ASP A 40 -7.949 -9.423 -0.797 1.00 10.00 O ATOM 0 H ASP A 40 -6.456 -5.059 -3.068 1.00 10.00 H new ATOM 0 HA ASP A 40 -5.754 -7.655 -2.851 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.507 -7.384 -2.035 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -8.468 -8.229 -3.570 1.00 10.00 H new ATOM 586 N LYS A 41 -7.762 -6.157 -5.037 1.00 10.00 N ATOM 587 CA LYS A 41 -7.971 -5.874 -6.447 1.00 10.00 C ATOM 588 C LYS A 41 -8.241 -4.380 -6.628 1.00 10.00 C ATOM 589 O LYS A 41 -7.507 -3.543 -6.103 1.00 10.00 O ATOM 590 CB LYS A 41 -9.070 -6.772 -7.017 1.00 10.00 C ATOM 591 CG LYS A 41 -8.728 -8.250 -6.822 1.00 10.00 C ATOM 592 CD LYS A 41 -8.657 -8.979 -8.165 1.00 10.00 C ATOM 593 CE LYS A 41 -8.729 -10.495 -7.971 1.00 10.00 C ATOM 594 NZ LYS A 41 -8.537 -11.191 -9.262 1.00 10.00 N ATOM 0 H LYS A 41 -8.432 -5.713 -4.409 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.073 -6.107 -7.020 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -10.018 -6.547 -6.528 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -9.201 -6.563 -8.079 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.773 -8.341 -6.304 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -9.480 -8.720 -6.188 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -9.477 -8.651 -8.804 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -7.730 -8.718 -8.676 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -7.965 -10.814 -7.262 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -9.694 -10.768 -7.544 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -8.589 -12.219 -9.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -9.281 -10.900 -9.927 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -7.606 -10.944 -9.654 1.00 10.00 H new ATOM 608 N LYS A 42 -9.298 -4.088 -7.372 1.00 10.00 N ATOM 609 CA LYS A 42 -9.675 -2.708 -7.629 1.00 10.00 C ATOM 610 C LYS A 42 -9.474 -1.883 -6.357 1.00 10.00 C ATOM 611 O LYS A 42 -9.176 -0.692 -6.425 1.00 10.00 O ATOM 612 CB LYS A 42 -11.097 -2.636 -8.191 1.00 10.00 C ATOM 613 CG LYS A 42 -11.399 -1.242 -8.741 1.00 10.00 C ATOM 614 CD LYS A 42 -12.524 -1.292 -9.776 1.00 10.00 C ATOM 615 CE LYS A 42 -12.151 -0.500 -11.031 1.00 10.00 C ATOM 616 NZ LYS A 42 -12.076 -1.396 -12.207 1.00 10.00 N ATOM 0 H LYS A 42 -9.905 -4.784 -7.805 1.00 10.00 H new ATOM 0 HA LYS A 42 -9.032 -2.274 -8.395 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.217 -3.377 -8.982 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.814 -2.885 -7.409 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -11.681 -0.578 -7.924 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -10.501 -0.824 -9.195 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -12.731 -2.328 -10.044 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.439 -0.886 -9.344 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -12.890 0.281 -11.208 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -11.192 -0.003 -10.883 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -11.822 -0.842 -13.050 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -11.354 -2.126 -12.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -13.000 -1.850 -12.357 1.00 10.00 H new ATOM 630 N SER A 43 -9.645 -2.551 -5.224 1.00 10.00 N ATOM 631 CA SER A 43 -9.486 -1.895 -3.938 1.00 10.00 C ATOM 632 C SER A 43 -8.102 -1.249 -3.847 1.00 10.00 C ATOM 633 O SER A 43 -7.988 -0.032 -3.708 1.00 10.00 O ATOM 634 CB SER A 43 -9.688 -2.882 -2.787 1.00 10.00 C ATOM 635 OG SER A 43 -11.068 -3.112 -2.515 1.00 10.00 O ATOM 0 H SER A 43 -9.892 -3.539 -5.171 1.00 10.00 H new ATOM 0 HA SER A 43 -10.248 -1.120 -3.854 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.205 -3.828 -3.032 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.201 -2.498 -1.891 1.00 10.00 H new ATOM 0 HG SER A 43 -11.154 -3.749 -1.775 1.00 10.00 H new ATOM 641 N ALA A 44 -7.084 -2.093 -3.929 1.00 10.00 N ATOM 642 CA ALA A 44 -5.712 -1.620 -3.858 1.00 10.00 C ATOM 643 C ALA A 44 -5.466 -0.609 -4.979 1.00 10.00 C ATOM 644 O ALA A 44 -4.484 0.129 -4.951 1.00 10.00 O ATOM 645 CB ALA A 44 -4.757 -2.812 -3.929 1.00 10.00 C ATOM 0 H ALA A 44 -7.182 -3.102 -4.044 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.530 -1.112 -2.911 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.728 -2.457 -3.876 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -4.952 -3.485 -3.094 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -4.909 -3.345 -4.868 1.00 10.00 H new ATOM 651 N HIS A 45 -6.378 -0.609 -5.942 1.00 10.00 N ATOM 652 CA HIS A 45 -6.272 0.300 -7.071 1.00 10.00 C ATOM 653 C HIS A 45 -7.120 1.546 -6.808 1.00 10.00 C ATOM 654 O HIS A 45 -7.119 2.481 -7.606 1.00 10.00 O ATOM 655 CB HIS A 45 -6.647 -0.408 -8.374 1.00 10.00 C ATOM 656 CG HIS A 45 -5.525 -1.216 -8.979 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.589 -1.754 -10.253 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.309 -1.572 -8.473 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.459 -2.401 -10.492 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.667 -2.289 -9.387 1.00 10.00 N ATOM 0 H HIS A 45 -7.192 -1.223 -5.963 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.238 0.625 -7.186 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.495 -1.067 -8.186 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.976 0.337 -9.098 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.932 -1.314 -7.494 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.208 -2.925 -11.402 1.00 10.00 H new ATOM 0 HE2 HIS A 45 -2.735 -2.690 -9.281 1.00 10.00 H new ATOM 668 N LYS A 46 -7.823 1.518 -5.685 1.00 10.00 N ATOM 669 CA LYS A 46 -8.674 2.633 -5.307 1.00 10.00 C ATOM 670 C LYS A 46 -8.035 3.383 -4.137 1.00 10.00 C ATOM 671 O LYS A 46 -6.850 3.207 -3.854 1.00 10.00 O ATOM 672 CB LYS A 46 -10.097 2.150 -5.022 1.00 10.00 C ATOM 673 CG LYS A 46 -11.098 2.794 -5.985 1.00 10.00 C ATOM 674 CD LYS A 46 -12.441 3.040 -5.295 1.00 10.00 C ATOM 675 CE LYS A 46 -12.545 4.482 -4.795 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.517 4.576 -3.683 1.00 10.00 N ATOM 0 H LYS A 46 -7.820 0.740 -5.025 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.761 3.341 -6.132 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.142 1.065 -5.116 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.368 2.392 -3.994 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.697 3.738 -6.355 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -11.243 2.148 -6.851 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.254 2.833 -5.990 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.555 2.352 -4.457 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -11.567 4.829 -4.461 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.853 5.135 -5.612 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.575 5.561 -3.355 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.453 4.265 -4.013 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.207 3.968 -2.898 1.00 10.00 H new ATOM 690 N ASP A 47 -8.846 4.205 -3.487 1.00 10.00 N ATOM 691 CA ASP A 47 -8.374 4.981 -2.354 1.00 10.00 C ATOM 692 C ASP A 47 -7.579 4.073 -1.414 1.00 10.00 C ATOM 693 O ASP A 47 -6.711 4.543 -0.678 1.00 10.00 O ATOM 694 CB ASP A 47 -9.544 5.571 -1.564 1.00 10.00 C ATOM 695 CG ASP A 47 -10.089 6.894 -2.106 1.00 10.00 C ATOM 696 OD1 ASP A 47 -10.325 6.952 -3.333 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.256 7.820 -1.282 1.00 10.00 O ATOM 0 H ASP A 47 -9.827 4.350 -3.724 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.752 5.791 -2.736 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -10.354 4.842 -1.545 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -9.227 5.722 -0.532 1.00 10.00 H new ATOM 702 N ALA A 48 -7.903 2.790 -1.468 1.00 10.00 N ATOM 703 CA ALA A 48 -7.231 1.813 -0.630 1.00 10.00 C ATOM 704 C ALA A 48 -5.739 2.144 -0.565 1.00 10.00 C ATOM 705 O ALA A 48 -5.185 2.318 0.520 1.00 10.00 O ATOM 706 CB ALA A 48 -7.493 0.407 -1.175 1.00 10.00 C ATOM 0 H ALA A 48 -8.623 2.404 -2.080 1.00 10.00 H new ATOM 0 HA ALA A 48 -7.621 1.847 0.387 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.989 -0.327 -0.546 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.565 0.210 -1.174 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -7.112 0.335 -2.194 1.00 10.00 H new ATOM 712 N CYS A 49 -5.129 2.218 -1.739 1.00 10.00 N ATOM 713 CA CYS A 49 -3.713 2.526 -1.829 1.00 10.00 C ATOM 714 C CYS A 49 -3.562 3.942 -2.389 1.00 10.00 C ATOM 715 O CYS A 49 -3.173 4.860 -1.668 1.00 10.00 O ATOM 716 CB CYS A 49 -2.963 1.495 -2.676 1.00 10.00 C ATOM 717 SG CYS A 49 -1.172 1.367 -2.322 1.00 10.00 S ATOM 0 H CYS A 49 -5.591 2.070 -2.636 1.00 10.00 H new ATOM 0 HA CYS A 49 -3.265 2.480 -0.836 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.420 0.518 -2.522 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -3.094 1.746 -3.729 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.641 0.465 -3.093 1.00 10.00 H new ATOM 722 N LYS A 50 -3.879 4.074 -3.668 1.00 10.00 N ATOM 723 CA LYS A 50 -3.784 5.363 -4.333 1.00 10.00 C ATOM 724 C LYS A 50 -4.417 6.437 -3.446 1.00 10.00 C ATOM 725 O LYS A 50 -5.635 6.616 -3.455 1.00 10.00 O ATOM 726 CB LYS A 50 -4.390 5.288 -5.736 1.00 10.00 C ATOM 727 CG LYS A 50 -3.520 4.436 -6.664 1.00 10.00 C ATOM 728 CD LYS A 50 -2.997 5.265 -7.839 1.00 10.00 C ATOM 729 CE LYS A 50 -2.132 4.413 -8.768 1.00 10.00 C ATOM 730 NZ LYS A 50 -2.952 3.834 -9.855 1.00 10.00 N ATOM 0 H LYS A 50 -4.202 3.310 -4.262 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.740 5.642 -4.477 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.393 4.864 -5.681 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.491 6.293 -6.147 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.681 4.023 -6.104 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -4.100 3.592 -7.039 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.836 5.681 -8.397 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.415 6.107 -7.464 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.334 5.023 -9.192 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.655 3.614 -8.200 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -2.348 3.258 -10.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.698 3.236 -9.446 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.387 4.600 -10.408 1.00 10.00 H new ATOM 744 N THR A 51 -3.563 7.125 -2.703 1.00 10.00 N ATOM 745 CA THR A 51 -4.025 8.176 -1.812 1.00 10.00 C ATOM 746 C THR A 51 -2.838 8.839 -1.109 1.00 10.00 C ATOM 747 O THR A 51 -2.771 10.063 -1.017 1.00 10.00 O ATOM 748 CB THR A 51 -5.040 7.565 -0.844 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.962 8.622 -0.594 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.434 7.266 0.529 1.00 10.00 C ATOM 0 H THR A 51 -2.554 6.975 -2.699 1.00 10.00 H new ATOM 0 HA THR A 51 -4.522 8.973 -2.365 1.00 10.00 H new ATOM 0 HB THR A 51 -5.441 6.646 -1.272 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.656 8.311 0.024 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.197 6.834 1.177 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.610 6.561 0.417 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.063 8.190 0.972 1.00 10.00 H new ATOM 758 N CYS A 52 -1.930 8.000 -0.632 1.00 10.00 N ATOM 759 CA CYS A 52 -0.750 8.488 0.060 1.00 10.00 C ATOM 760 C CYS A 52 0.487 7.989 -0.690 1.00 10.00 C ATOM 761 O CYS A 52 1.320 7.284 -0.120 1.00 10.00 O ATOM 762 CB CYS A 52 -0.738 8.063 1.529 1.00 10.00 C ATOM 763 SG CYS A 52 0.804 8.460 2.431 1.00 10.00 S ATOM 0 H CYS A 52 -1.988 6.985 -0.711 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.754 9.578 0.067 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.574 8.543 2.038 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.907 6.988 1.583 1.00 10.00 H new ATOM 0 HG CYS A 52 1.826 8.021 1.758 1.00 10.00 H new ATOM 768 N HIS A 53 0.568 8.372 -1.955 1.00 10.00 N ATOM 769 CA HIS A 53 1.689 7.972 -2.788 1.00 10.00 C ATOM 770 C HIS A 53 2.015 9.089 -3.782 1.00 10.00 C ATOM 771 O HIS A 53 3.180 9.438 -3.969 1.00 10.00 O ATOM 772 CB HIS A 53 1.406 6.633 -3.473 1.00 10.00 C ATOM 773 CG HIS A 53 2.180 5.473 -2.896 1.00 10.00 C ATOM 774 ND1 HIS A 53 2.888 5.362 -1.735 1.00 10.00 N flip ATOM 775 CD2 HIS A 53 2.284 4.249 -3.535 1.00 10.00 C flip ATOM 776 CE1 HIS A 53 3.395 4.137 -1.667 1.00 10.00 C flip ATOM 777 NE2 HIS A 53 3.022 3.446 -2.782 1.00 10.00 N flip ATOM 0 H HIS A 53 -0.125 8.956 -2.424 1.00 10.00 H new ATOM 0 HA HIS A 53 2.571 7.817 -2.167 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.340 6.417 -3.400 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.641 6.722 -4.534 1.00 10.00 H new ATOM 0 HD1 HIS A 53 3.008 6.096 -1.037 1.00 10.00 H new ATOM 0 HD2 HIS A 53 1.839 3.992 -4.485 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.003 3.751 -0.862 1.00 10.00 H new ATOM 785 N LYS A 54 0.966 9.618 -4.393 1.00 10.00 N ATOM 786 CA LYS A 54 1.126 10.688 -5.362 1.00 10.00 C ATOM 787 C LYS A 54 1.713 11.918 -4.667 1.00 10.00 C ATOM 788 O LYS A 54 0.992 12.868 -4.365 1.00 10.00 O ATOM 789 CB LYS A 54 -0.197 10.962 -6.082 1.00 10.00 C ATOM 790 CG LYS A 54 -0.664 9.728 -6.858 1.00 10.00 C ATOM 791 CD LYS A 54 -2.160 9.486 -6.651 1.00 10.00 C ATOM 792 CE LYS A 54 -2.969 10.001 -7.843 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.557 11.325 -7.537 1.00 10.00 N ATOM 0 H LYS A 54 0.002 9.326 -4.236 1.00 10.00 H new ATOM 0 HA LYS A 54 1.831 10.394 -6.139 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.958 11.249 -5.356 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.076 11.802 -6.766 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -0.457 9.861 -7.920 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -0.102 8.854 -6.531 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.344 8.420 -6.515 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.490 9.985 -5.740 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -2.327 10.076 -8.721 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -3.761 9.292 -8.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -4.103 11.660 -8.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.185 11.244 -6.712 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -2.796 12.003 -7.327 1.00 10.00 H new ATOM 807 N SER A 55 3.015 11.860 -4.433 1.00 10.00 N ATOM 808 CA SER A 55 3.708 12.957 -3.778 1.00 10.00 C ATOM 809 C SER A 55 5.219 12.809 -3.966 1.00 10.00 C ATOM 810 O SER A 55 5.878 13.719 -4.468 1.00 10.00 O ATOM 811 CB SER A 55 3.361 13.017 -2.289 1.00 10.00 C ATOM 812 OG SER A 55 2.699 14.230 -1.943 1.00 10.00 O ATOM 0 H SER A 55 3.609 11.070 -4.685 1.00 10.00 H new ATOM 0 HA SER A 55 3.382 13.890 -4.237 1.00 10.00 H new ATOM 0 HB2 SER A 55 2.725 12.171 -2.031 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.273 12.921 -1.700 1.00 10.00 H new ATOM 0 HG SER A 55 2.493 14.229 -0.985 1.00 10.00 H new ATOM 818 N ASN A 56 5.724 11.655 -3.555 1.00 10.00 N ATOM 819 CA ASN A 56 7.146 11.377 -3.672 1.00 10.00 C ATOM 820 C ASN A 56 7.351 10.186 -4.609 1.00 10.00 C ATOM 821 O ASN A 56 8.012 10.309 -5.640 1.00 10.00 O ATOM 822 CB ASN A 56 7.750 11.019 -2.312 1.00 10.00 C ATOM 823 CG ASN A 56 7.916 12.266 -1.441 1.00 10.00 C ATOM 824 OD1 ASN A 56 8.746 13.123 -1.691 1.00 10.00 O ATOM 825 ND2 ASN A 56 7.081 12.317 -0.407 1.00 10.00 N ATOM 0 H ASN A 56 5.175 10.902 -3.141 1.00 10.00 H new ATOM 0 HA ASN A 56 7.635 12.271 -4.060 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.109 10.299 -1.804 1.00 10.00 H new ATOM 0 HB3 ASN A 56 8.718 10.539 -2.455 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.112 13.109 0.235 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.410 11.564 -0.256 1.00 10.00 H new ATOM 832 N ASN A 57 6.774 9.059 -4.218 1.00 10.00 N ATOM 833 CA ASN A 57 6.886 7.847 -5.011 1.00 10.00 C ATOM 834 C ASN A 57 6.187 8.054 -6.356 1.00 10.00 C ATOM 835 O ASN A 57 6.835 8.077 -7.400 1.00 10.00 O ATOM 836 CB ASN A 57 6.217 6.665 -4.308 1.00 10.00 C ATOM 837 CG ASN A 57 7.236 5.570 -3.984 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.190 5.771 -3.252 1.00 10.00 O ATOM 839 ND2 ASN A 57 6.981 4.403 -4.570 1.00 10.00 N ATOM 0 H ASN A 57 6.228 8.960 -3.362 1.00 10.00 H new ATOM 0 HA ASN A 57 7.946 7.632 -5.149 1.00 10.00 H new ATOM 0 HB2 ASN A 57 5.740 7.006 -3.389 1.00 10.00 H new ATOM 0 HB3 ASN A 57 5.430 6.258 -4.943 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.603 3.609 -4.417 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.164 4.302 -5.172 1.00 10.00 H new ATOM 846 N GLY A 58 4.872 8.202 -6.285 1.00 10.00 N ATOM 847 CA GLY A 58 4.077 8.407 -7.484 1.00 10.00 C ATOM 848 C GLY A 58 4.337 7.302 -8.511 1.00 10.00 C ATOM 849 O GLY A 58 5.337 7.337 -9.224 1.00 10.00 O ATOM 0 H GLY A 58 4.338 8.184 -5.416 1.00 10.00 H new ATOM 0 HA2 GLY A 58 3.019 8.425 -7.224 1.00 10.00 H new ATOM 0 HA3 GLY A 58 4.314 9.377 -7.921 1.00 10.00 H new ATOM 853 N PRO A 59 3.394 6.323 -8.553 1.00 10.00 N ATOM 854 CA PRO A 59 3.512 5.210 -9.480 1.00 10.00 C ATOM 855 C PRO A 59 3.171 5.647 -10.907 1.00 10.00 C ATOM 856 O PRO A 59 4.035 6.138 -11.631 1.00 10.00 O ATOM 857 CB PRO A 59 2.565 4.149 -8.942 1.00 10.00 C ATOM 858 CG PRO A 59 1.612 4.876 -8.007 1.00 10.00 C ATOM 859 CD PRO A 59 2.196 6.250 -7.723 1.00 10.00 C ATOM 0 HA PRO A 59 4.529 4.822 -9.545 1.00 10.00 H new ATOM 0 HB2 PRO A 59 2.022 3.663 -9.753 1.00 10.00 H new ATOM 0 HB3 PRO A 59 3.112 3.369 -8.413 1.00 10.00 H new ATOM 0 HG2 PRO A 59 0.626 4.967 -8.462 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.485 4.316 -7.080 1.00 10.00 H new ATOM 0 HD2 PRO A 59 1.490 7.040 -7.977 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.439 6.366 -6.667 1.00 10.00 H new ATOM 867 N THR A 60 1.911 5.453 -11.266 1.00 10.00 N ATOM 868 CA THR A 60 1.447 5.820 -12.593 1.00 10.00 C ATOM 869 C THR A 60 2.061 4.899 -13.648 1.00 10.00 C ATOM 870 O THR A 60 1.342 4.242 -14.398 1.00 10.00 O ATOM 871 CB THR A 60 1.771 7.299 -12.814 1.00 10.00 C ATOM 872 OG1 THR A 60 1.202 7.952 -11.683 1.00 10.00 O ATOM 873 CG2 THR A 60 1.015 7.893 -14.006 1.00 10.00 C ATOM 0 H THR A 60 1.197 5.047 -10.661 1.00 10.00 H new ATOM 0 HA THR A 60 0.369 5.691 -12.684 1.00 10.00 H new ATOM 0 HB THR A 60 2.844 7.416 -12.969 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.367 8.916 -11.744 1.00 10.00 H new ATOM 0 HG21 THR A 60 1.281 8.944 -14.118 1.00 10.00 H new ATOM 0 HG22 THR A 60 1.283 7.352 -14.913 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.058 7.807 -13.836 1.00 10.00 H new ATOM 881 N LYS A 61 3.386 4.880 -13.671 1.00 10.00 N ATOM 882 CA LYS A 61 4.107 4.050 -14.622 1.00 10.00 C ATOM 883 C LYS A 61 4.030 2.588 -14.175 1.00 10.00 C ATOM 884 O LYS A 61 4.570 1.704 -14.838 1.00 10.00 O ATOM 885 CB LYS A 61 5.535 4.563 -14.806 1.00 10.00 C ATOM 886 CG LYS A 61 5.601 6.080 -14.621 1.00 10.00 C ATOM 887 CD LYS A 61 6.603 6.708 -15.592 1.00 10.00 C ATOM 888 CE LYS A 61 7.047 8.089 -15.104 1.00 10.00 C ATOM 889 NZ LYS A 61 7.968 8.712 -16.081 1.00 10.00 N ATOM 0 H LYS A 61 3.979 5.426 -13.046 1.00 10.00 H new ATOM 0 HA LYS A 61 3.644 4.108 -15.607 1.00 10.00 H new ATOM 0 HB2 LYS A 61 6.195 4.077 -14.088 1.00 10.00 H new ATOM 0 HB3 LYS A 61 5.895 4.298 -15.800 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.614 6.513 -14.782 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.888 6.313 -13.596 1.00 10.00 H new ATOM 0 HD2 LYS A 61 7.472 6.058 -15.695 1.00 10.00 H new ATOM 0 HD3 LYS A 61 6.152 6.795 -16.580 1.00 10.00 H new ATOM 0 HE2 LYS A 61 6.176 8.727 -14.958 1.00 10.00 H new ATOM 0 HE3 LYS A 61 7.541 7.998 -14.137 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 8.260 9.648 -15.735 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 8.807 8.110 -16.200 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 7.485 8.816 -16.996 1.00 10.00 H new ATOM 903 N CYS A 62 3.356 2.379 -13.054 1.00 10.00 N ATOM 904 CA CYS A 62 3.202 1.040 -12.511 1.00 10.00 C ATOM 905 C CYS A 62 4.461 0.700 -11.709 1.00 10.00 C ATOM 906 O CYS A 62 4.375 0.327 -10.541 1.00 10.00 O ATOM 907 CB CYS A 62 2.930 0.012 -13.610 1.00 10.00 C ATOM 908 SG CYS A 62 1.536 -1.123 -13.271 1.00 10.00 S ATOM 0 H CYS A 62 2.910 3.115 -12.506 1.00 10.00 H new ATOM 0 HA CYS A 62 2.334 1.009 -11.853 1.00 10.00 H new ATOM 0 HB2 CYS A 62 2.731 0.541 -14.542 1.00 10.00 H new ATOM 0 HB3 CYS A 62 3.832 -0.580 -13.766 1.00 10.00 H new ATOM 0 HG CYS A 62 1.395 -1.947 -14.267 1.00 10.00 H new ATOM 913 N GLY A 63 5.601 0.841 -12.371 1.00 10.00 N ATOM 914 CA GLY A 63 6.876 0.553 -11.735 1.00 10.00 C ATOM 915 C GLY A 63 6.898 1.065 -10.294 1.00 10.00 C ATOM 916 O GLY A 63 7.622 0.534 -9.453 1.00 10.00 O ATOM 0 H GLY A 63 5.668 1.151 -13.341 1.00 10.00 H new ATOM 0 HA2 GLY A 63 7.057 -0.522 -11.746 1.00 10.00 H new ATOM 0 HA3 GLY A 63 7.683 1.018 -12.302 1.00 10.00 H new ATOM 920 N GLY A 64 6.095 2.092 -10.052 1.00 10.00 N ATOM 921 CA GLY A 64 6.013 2.682 -8.727 1.00 10.00 C ATOM 922 C GLY A 64 6.156 1.614 -7.641 1.00 10.00 C ATOM 923 O GLY A 64 7.131 1.613 -6.890 1.00 10.00 O ATOM 0 H GLY A 64 5.496 2.530 -10.752 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.795 3.432 -8.610 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.059 3.196 -8.613 1.00 10.00 H new ATOM 927 N CYS A 65 5.170 0.730 -7.592 1.00 10.00 N ATOM 928 CA CYS A 65 5.173 -0.341 -6.610 1.00 10.00 C ATOM 929 C CYS A 65 5.219 -1.676 -7.357 1.00 10.00 C ATOM 930 O CYS A 65 6.088 -2.507 -7.097 1.00 10.00 O ATOM 931 CB CYS A 65 3.967 -0.253 -5.673 1.00 10.00 C ATOM 932 SG CYS A 65 2.368 0.063 -6.505 1.00 10.00 S ATOM 0 H CYS A 65 4.364 0.734 -8.217 1.00 10.00 H new ATOM 0 HA CYS A 65 6.052 -0.251 -5.972 1.00 10.00 H new ATOM 0 HB2 CYS A 65 3.891 -1.185 -5.113 1.00 10.00 H new ATOM 0 HB3 CYS A 65 4.146 0.541 -4.948 1.00 10.00 H new ATOM 0 HG CYS A 65 1.420 0.115 -5.617 1.00 10.00 H new ATOM 937 N HIS A 66 4.272 -1.840 -8.269 1.00 10.00 N ATOM 938 CA HIS A 66 4.194 -3.060 -9.055 1.00 10.00 C ATOM 939 C HIS A 66 5.449 -3.195 -9.920 1.00 10.00 C ATOM 940 O HIS A 66 5.676 -2.388 -10.820 1.00 10.00 O ATOM 941 CB HIS A 66 2.902 -3.096 -9.875 1.00 10.00 C ATOM 942 CG HIS A 66 1.739 -3.740 -9.159 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.689 -3.881 -7.783 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.583 -4.280 -9.643 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.551 -4.479 -7.464 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.133 -4.727 -8.619 1.00 10.00 N ATOM 0 H HIS A 66 3.553 -1.149 -8.481 1.00 10.00 H new ATOM 0 HA HIS A 66 4.159 -3.923 -8.390 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.628 -2.077 -10.148 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.088 -3.636 -10.804 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.299 -4.334 -10.684 1.00 10.00 H new ATOM 0 HE1 HIS A 66 0.222 -4.727 -6.466 1.00 10.00 H new ATOM 0 HE2 HIS A 66 -1.044 -5.181 -8.684 1.00 10.00 H new ATOM 954 N ILE A 67 6.229 -4.221 -9.617 1.00 10.00 N ATOM 955 CA ILE A 67 7.456 -4.472 -10.355 1.00 10.00 C ATOM 956 C ILE A 67 7.134 -4.584 -11.846 1.00 10.00 C ATOM 957 O ILE A 67 6.638 -5.614 -12.303 1.00 10.00 O ATOM 958 CB ILE A 67 8.181 -5.694 -9.789 1.00 10.00 C ATOM 959 CG1 ILE A 67 9.657 -5.690 -10.191 1.00 10.00 C ATOM 960 CG2 ILE A 67 7.478 -6.989 -10.200 1.00 10.00 C ATOM 961 CD1 ILE A 67 10.435 -6.769 -9.434 1.00 10.00 C ATOM 0 H ILE A 67 6.036 -4.889 -8.871 1.00 10.00 H new ATOM 0 HA ILE A 67 8.148 -3.638 -10.239 1.00 10.00 H new ATOM 0 HB ILE A 67 8.143 -5.640 -8.701 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.746 -5.858 -11.264 1.00 10.00 H new ATOM 0 HG13 ILE A 67 10.091 -4.712 -9.985 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.014 -7.842 -9.784 1.00 10.00 H new ATOM 0 HG22 ILE A 67 6.456 -6.984 -9.822 1.00 10.00 H new ATOM 0 HG23 ILE A 67 7.462 -7.065 -11.287 1.00 10.00 H new ATOM 0 HD11 ILE A 67 11.481 -6.744 -9.739 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.365 -6.584 -8.362 1.00 10.00 H new ATOM 0 HD13 ILE A 67 10.014 -7.748 -9.661 1.00 10.00 H new ATOM 973 N LYS A 68 7.428 -3.510 -12.565 1.00 10.00 N ATOM 974 CA LYS A 68 7.176 -3.475 -13.995 1.00 10.00 C ATOM 975 C LYS A 68 8.120 -2.464 -14.650 1.00 10.00 C ATOM 976 O LYS A 68 8.315 -1.367 -14.132 1.00 10.00 O ATOM 977 CB LYS A 68 5.696 -3.204 -14.273 1.00 10.00 C ATOM 978 CG LYS A 68 5.176 -4.100 -15.400 1.00 10.00 C ATOM 979 CD LYS A 68 5.245 -3.380 -16.748 1.00 10.00 C ATOM 980 CE LYS A 68 4.470 -4.148 -17.820 1.00 10.00 C ATOM 981 NZ LYS A 68 3.099 -3.610 -17.954 1.00 10.00 N ATOM 0 H LYS A 68 7.838 -2.658 -12.183 1.00 10.00 H new ATOM 0 HA LYS A 68 7.387 -4.446 -14.442 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.115 -3.378 -13.368 1.00 10.00 H new ATOM 0 HB3 LYS A 68 5.559 -2.157 -14.543 1.00 10.00 H new ATOM 0 HG2 LYS A 68 5.765 -5.016 -15.442 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.147 -4.392 -15.192 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.836 -2.375 -16.649 1.00 10.00 H new ATOM 0 HD3 LYS A 68 6.286 -3.272 -17.054 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.990 -4.076 -18.775 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.428 -5.206 -17.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 2.587 -4.143 -18.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.600 -3.701 -17.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.145 -2.607 -18.224 1.00 10.00 H new