USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 64 LYS NZ :NH3+ 170:sc= -0.0568 (180deg=-0.168) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.346 X(o=-0.4,f=-0.25) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0721 USER MOD Set 2.2: A 23 HIS :FLIP no HE2:sc= -3.38 F(o=-7.2,f=-5.9) USER MOD Set 2.3: A 55 SER OG : rot 33:sc= -2.61 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -2.1! (180deg=-2.57!) USER MOD Single : A 3 GLN :FLIP amide:sc= -1.24 F(o=-3.2!,f=-1.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 167:sc= -1.37 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.296 (180deg=-1.07) USER MOD Single : A 12 ASN : amide:sc= -8.43! C(o=-8.4!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -0.35 (180deg=-1.61!) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.206 (180deg=-0.967) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 126:sc= 0.0166 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.371 (180deg=-1.52!) USER MOD Single : A 44 ASN : amide:sc= -0.937 X(o=-0.94,f=-0.44) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0372) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -116:sc= -1.05 (180deg=-2.71!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -134:sc= 1.08 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 62 CYS SG : rot -47:sc= -2.52! USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0683 USER MOD Single : A 68 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -0.824 (180deg=-3.02!) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -0.451 (180deg=-1.12) USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.939 12.395 8.583 1.00 0.00 N ATOM 2 CA MET A 1 -9.498 12.369 8.947 1.00 0.00 C ATOM 3 C MET A 1 -9.281 11.648 10.273 1.00 0.00 C ATOM 4 O MET A 1 -9.086 12.280 11.311 1.00 0.00 O ATOM 5 CB MET A 1 -8.992 13.811 9.041 1.00 0.00 C ATOM 6 CG MET A 1 -9.937 14.741 9.786 1.00 0.00 C ATOM 7 SD MET A 1 -9.378 16.454 9.775 1.00 0.00 S ATOM 8 CE MET A 1 -9.186 16.759 11.531 1.00 0.00 C ATOM 0 H1 MET A 1 -11.086 13.057 7.794 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.242 11.442 8.296 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.499 12.704 9.403 1.00 0.00 H new ATOM 0 HA MET A 1 -8.944 11.826 8.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.023 13.815 9.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.834 14.198 8.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.928 14.683 9.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.036 14.402 10.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.844 17.782 11.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.144 16.616 12.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.454 16.064 11.943 1.00 0.00 H new ATOM 20 N VAL A 2 -9.313 10.319 10.232 1.00 0.00 N ATOM 21 CA VAL A 2 -9.117 9.516 11.438 1.00 0.00 C ATOM 22 C VAL A 2 -7.858 8.654 11.342 1.00 0.00 C ATOM 23 O VAL A 2 -7.685 7.702 12.103 1.00 0.00 O ATOM 24 CB VAL A 2 -10.350 8.631 11.745 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.325 7.326 10.958 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.442 8.354 13.237 1.00 0.00 C ATOM 0 H VAL A 2 -9.472 9.777 9.383 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.989 10.217 12.263 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.237 9.181 11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.208 6.736 11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.321 7.545 9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.429 6.762 11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.313 7.731 13.438 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.541 7.836 13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.537 9.296 13.777 1.00 0.00 H new ATOM 36 N GLN A 3 -6.978 9.003 10.409 1.00 0.00 N ATOM 37 CA GLN A 3 -5.736 8.283 10.211 1.00 0.00 C ATOM 38 C GLN A 3 -4.901 9.001 9.170 1.00 0.00 C ATOM 39 O GLN A 3 -5.424 9.624 8.248 1.00 0.00 O ATOM 40 CB GLN A 3 -6.010 6.829 9.791 1.00 0.00 C ATOM 41 CG GLN A 3 -5.268 6.345 8.540 1.00 0.00 C ATOM 42 CD GLN A 3 -5.032 4.847 8.554 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.834 4.112 7.793 1.00 0.00 O flip ATOM 44 NE2 GLN A 3 -4.137 4.355 9.242 1.00 0.00 N flip ATOM 0 H GLN A 3 -7.110 9.790 9.774 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.184 8.254 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.747 6.175 10.622 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.081 6.715 9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.843 6.612 7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.311 6.861 8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.543 4.957 9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.990 3.346 9.241 1.00 0.00 H new ATOM 53 N SER A 4 -3.605 8.908 9.337 1.00 0.00 N ATOM 54 CA SER A 4 -2.669 9.549 8.423 1.00 0.00 C ATOM 55 C SER A 4 -1.981 8.539 7.516 1.00 0.00 C ATOM 56 O SER A 4 -2.084 7.327 7.707 1.00 0.00 O ATOM 57 CB SER A 4 -1.616 10.354 9.181 1.00 0.00 C ATOM 58 OG SER A 4 -1.794 10.240 10.582 1.00 0.00 O ATOM 0 H SER A 4 -3.164 8.393 10.099 1.00 0.00 H new ATOM 0 HA SER A 4 -3.256 10.226 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.621 10.003 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.676 11.402 8.888 1.00 0.00 H new ATOM 0 HG SER A 4 -1.106 10.764 11.043 1.00 0.00 H new ATOM 64 N CYS A 5 -1.289 9.071 6.524 1.00 0.00 N ATOM 65 CA CYS A 5 -0.569 8.271 5.547 1.00 0.00 C ATOM 66 C CYS A 5 0.870 8.790 5.419 1.00 0.00 C ATOM 67 O CYS A 5 1.237 9.764 6.076 1.00 0.00 O ATOM 68 CB CYS A 5 -1.356 8.314 4.227 1.00 0.00 C ATOM 69 SG CYS A 5 -0.566 9.214 2.877 1.00 0.00 S ATOM 0 H CYS A 5 -1.210 10.077 6.372 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.490 7.228 5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.538 7.290 3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.329 8.765 4.420 1.00 0.00 H new ATOM 74 N SER A 6 1.690 8.134 4.600 1.00 0.00 N ATOM 75 CA SER A 6 3.082 8.543 4.436 1.00 0.00 C ATOM 76 C SER A 6 3.170 9.888 3.745 1.00 0.00 C ATOM 77 O SER A 6 3.932 10.765 4.150 1.00 0.00 O ATOM 78 CB SER A 6 3.848 7.500 3.629 1.00 0.00 C ATOM 79 OG SER A 6 5.215 7.856 3.509 1.00 0.00 O ATOM 0 H SER A 6 1.417 7.324 4.044 1.00 0.00 H new ATOM 0 HA SER A 6 3.528 8.629 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.763 6.526 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.405 7.404 2.638 1.00 0.00 H new ATOM 0 HG SER A 6 5.725 7.088 3.177 1.00 0.00 H new ATOM 85 N ALA A 7 2.379 10.034 2.693 1.00 0.00 N ATOM 86 CA ALA A 7 2.347 11.272 1.914 1.00 0.00 C ATOM 87 C ALA A 7 2.366 12.504 2.821 1.00 0.00 C ATOM 88 O ALA A 7 1.856 12.469 3.940 1.00 0.00 O ATOM 89 CB ALA A 7 1.121 11.295 1.014 1.00 0.00 C ATOM 0 H ALA A 7 1.746 9.309 2.354 1.00 0.00 H new ATOM 0 HA ALA A 7 3.243 11.302 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.109 12.221 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.154 10.445 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.220 11.235 1.625 1.00 0.00 H new ATOM 95 N TYR A 8 2.964 13.587 2.332 1.00 0.00 N ATOM 96 CA TYR A 8 3.057 14.825 3.104 1.00 0.00 C ATOM 97 C TYR A 8 1.797 15.673 2.934 1.00 0.00 C ATOM 98 O TYR A 8 1.379 15.961 1.813 1.00 0.00 O ATOM 99 CB TYR A 8 4.288 15.633 2.673 1.00 0.00 C ATOM 100 CG TYR A 8 5.368 15.742 3.734 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.050 15.801 5.088 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.711 15.789 3.377 1.00 0.00 C ATOM 103 CE1 TYR A 8 6.037 15.902 6.050 1.00 0.00 C ATOM 104 CE2 TYR A 8 7.702 15.889 4.334 1.00 0.00 C ATOM 105 CZ TYR A 8 7.361 15.945 5.669 1.00 0.00 C ATOM 106 OH TYR A 8 8.345 16.044 6.624 1.00 0.00 O ATOM 0 H TYR A 8 3.391 13.634 1.407 1.00 0.00 H new ATOM 0 HA TYR A 8 3.155 14.557 4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.716 15.173 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.969 16.637 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.014 15.767 5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.984 15.747 2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.772 15.947 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.740 15.923 4.038 1.00 0.00 H new ATOM 0 HH TYR A 8 9.223 16.061 6.189 1.00 0.00 H new ATOM 116 N GLY A 9 1.200 16.075 4.054 1.00 0.00 N ATOM 117 CA GLY A 9 -0.001 16.891 4.007 1.00 0.00 C ATOM 118 C GLY A 9 -1.080 16.283 3.142 1.00 0.00 C ATOM 119 O GLY A 9 -1.667 16.956 2.295 1.00 0.00 O ATOM 0 H GLY A 9 1.527 15.850 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.384 17.027 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.251 17.881 3.626 1.00 0.00 H new ATOM 123 N CYS A 10 -1.335 15.007 3.358 1.00 0.00 N ATOM 124 CA CYS A 10 -2.339 14.283 2.606 1.00 0.00 C ATOM 125 C CYS A 10 -3.743 14.598 3.129 1.00 0.00 C ATOM 126 O CYS A 10 -3.898 15.146 4.219 1.00 0.00 O ATOM 127 CB CYS A 10 -2.051 12.784 2.689 1.00 0.00 C ATOM 128 SG CYS A 10 -3.002 11.795 1.518 1.00 0.00 S ATOM 0 H CYS A 10 -0.852 14.445 4.059 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.299 14.596 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.988 12.617 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.264 12.438 3.700 1.00 0.00 H new ATOM 133 N LYS A 11 -4.766 14.257 2.342 1.00 0.00 N ATOM 134 CA LYS A 11 -6.148 14.512 2.724 1.00 0.00 C ATOM 135 C LYS A 11 -6.913 13.208 2.921 1.00 0.00 C ATOM 136 O LYS A 11 -8.132 13.153 2.756 1.00 0.00 O ATOM 137 CB LYS A 11 -6.838 15.375 1.669 1.00 0.00 C ATOM 138 CG LYS A 11 -8.158 15.965 2.131 1.00 0.00 C ATOM 139 CD LYS A 11 -7.956 17.329 2.763 1.00 0.00 C ATOM 140 CE LYS A 11 -9.206 17.796 3.490 1.00 0.00 C ATOM 141 NZ LYS A 11 -9.811 16.710 4.311 1.00 0.00 N ATOM 0 H LYS A 11 -4.658 13.803 1.435 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.143 15.048 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.169 16.186 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.012 14.773 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.838 16.051 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.628 15.294 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.121 17.287 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.690 18.053 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.958 18.641 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.937 18.152 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.349 17.128 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.449 16.141 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.058 16.102 4.692 1.00 0.00 H new ATOM 155 N ASN A 12 -6.180 12.168 3.275 1.00 0.00 N ATOM 156 CA ASN A 12 -6.750 10.854 3.506 1.00 0.00 C ATOM 157 C ASN A 12 -7.595 10.827 4.773 1.00 0.00 C ATOM 158 O ASN A 12 -7.454 11.681 5.647 1.00 0.00 O ATOM 159 CB ASN A 12 -5.621 9.848 3.630 1.00 0.00 C ATOM 160 CG ASN A 12 -4.720 10.173 4.802 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.180 10.325 5.932 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.432 10.282 4.533 1.00 0.00 N ATOM 0 H ASN A 12 -5.170 12.211 3.411 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.398 10.604 2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.035 8.847 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.036 9.840 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.772 10.501 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.097 10.147 3.579 1.00 0.00 H new ATOM 169 N ARG A 13 -8.467 9.831 4.863 1.00 0.00 N ATOM 170 CA ARG A 13 -9.337 9.679 6.033 1.00 0.00 C ATOM 171 C ARG A 13 -9.925 8.276 6.115 1.00 0.00 C ATOM 172 O ARG A 13 -10.748 7.890 5.286 1.00 0.00 O ATOM 173 CB ARG A 13 -10.465 10.711 6.004 1.00 0.00 C ATOM 174 CG ARG A 13 -10.814 11.212 4.610 1.00 0.00 C ATOM 175 CD ARG A 13 -11.725 12.427 4.666 1.00 0.00 C ATOM 176 NE ARG A 13 -13.060 12.088 5.154 1.00 0.00 N ATOM 177 CZ ARG A 13 -14.079 12.944 5.183 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.919 14.189 4.750 1.00 0.00 N ATOM 179 NH2 ARG A 13 -15.259 12.555 5.646 1.00 0.00 N ATOM 0 H ARG A 13 -8.594 9.117 4.146 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.722 9.844 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.356 10.273 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.181 11.562 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.899 11.466 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.302 10.416 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.283 13.182 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.803 12.868 3.672 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.221 11.139 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.013 14.492 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.702 14.842 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.386 11.600 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.040 13.211 5.668 1.00 0.00 H new ATOM 193 N TYR A 14 -9.507 7.519 7.127 1.00 0.00 N ATOM 194 CA TYR A 14 -10.002 6.164 7.317 1.00 0.00 C ATOM 195 C TYR A 14 -11.448 6.184 7.805 1.00 0.00 C ATOM 196 O TYR A 14 -11.712 6.046 8.998 1.00 0.00 O ATOM 197 CB TYR A 14 -9.117 5.429 8.322 1.00 0.00 C ATOM 198 CG TYR A 14 -9.450 3.961 8.467 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.394 3.530 9.392 1.00 0.00 C ATOM 200 CD2 TYR A 14 -8.820 3.006 7.680 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.700 2.188 9.526 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.120 1.663 7.809 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.061 1.260 8.732 1.00 0.00 C ATOM 204 OH TYR A 14 -10.362 -0.075 8.864 1.00 0.00 O ATOM 0 H TYR A 14 -8.828 7.823 7.825 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.971 5.641 6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.076 5.528 8.016 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.210 5.911 9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.896 4.255 10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.083 3.318 6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.436 1.869 10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.620 0.933 7.190 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.825 -0.596 8.231 1.00 0.00 H new ATOM 214 N ASP A 15 -12.382 6.361 6.874 1.00 0.00 N ATOM 215 CA ASP A 15 -13.799 6.406 7.215 1.00 0.00 C ATOM 216 C ASP A 15 -14.575 5.310 6.493 1.00 0.00 C ATOM 217 O ASP A 15 -14.188 4.871 5.410 1.00 0.00 O ATOM 218 CB ASP A 15 -14.386 7.771 6.868 1.00 0.00 C ATOM 219 CG ASP A 15 -15.728 8.011 7.532 1.00 0.00 C ATOM 220 OD1 ASP A 15 -15.933 7.506 8.657 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.573 8.704 6.928 1.00 0.00 O ATOM 0 H ASP A 15 -12.183 6.475 5.880 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.889 6.240 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.689 8.551 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.500 7.850 5.787 1.00 0.00 H new ATOM 226 N LYS A 16 -15.675 4.879 7.098 1.00 0.00 N ATOM 227 CA LYS A 16 -16.514 3.839 6.513 1.00 0.00 C ATOM 228 C LYS A 16 -17.056 4.280 5.160 1.00 0.00 C ATOM 229 O LYS A 16 -17.313 3.459 4.280 1.00 0.00 O ATOM 230 CB LYS A 16 -17.675 3.504 7.456 1.00 0.00 C ATOM 231 CG LYS A 16 -18.637 2.453 6.912 1.00 0.00 C ATOM 232 CD LYS A 16 -19.725 3.081 6.054 1.00 0.00 C ATOM 233 CE LYS A 16 -21.007 2.260 6.085 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.420 1.927 7.476 1.00 0.00 N ATOM 0 H LYS A 16 -16.008 5.234 7.995 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.903 2.948 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.269 3.153 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.232 4.417 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.083 1.723 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.093 1.912 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.931 4.091 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.373 3.169 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.805 2.815 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.862 1.340 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.458 1.878 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.016 1.008 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.075 2.662 8.126 1.00 0.00 H new ATOM 248 N ASP A 17 -17.224 5.584 5.009 1.00 0.00 N ATOM 249 CA ASP A 17 -17.733 6.159 3.775 1.00 0.00 C ATOM 250 C ASP A 17 -16.616 6.314 2.754 1.00 0.00 C ATOM 251 O ASP A 17 -16.713 5.827 1.628 1.00 0.00 O ATOM 252 CB ASP A 17 -18.361 7.519 4.067 1.00 0.00 C ATOM 253 CG ASP A 17 -19.863 7.518 3.858 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.309 7.148 2.751 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.593 7.888 4.801 1.00 0.00 O ATOM 0 H ASP A 17 -17.013 6.270 5.734 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.487 5.490 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.140 7.805 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.907 8.272 3.422 1.00 0.00 H new ATOM 260 N LYS A 18 -15.555 6.998 3.162 1.00 0.00 N ATOM 261 CA LYS A 18 -14.408 7.227 2.296 1.00 0.00 C ATOM 262 C LYS A 18 -13.644 5.926 2.052 1.00 0.00 C ATOM 263 O LYS A 18 -13.017 5.390 2.967 1.00 0.00 O ATOM 264 CB LYS A 18 -13.487 8.265 2.933 1.00 0.00 C ATOM 265 CG LYS A 18 -12.382 8.754 2.013 1.00 0.00 C ATOM 266 CD LYS A 18 -12.802 10.002 1.251 1.00 0.00 C ATOM 267 CE LYS A 18 -13.199 9.676 -0.179 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.095 9.011 -0.924 1.00 0.00 N ATOM 0 H LYS A 18 -15.466 7.406 4.093 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.763 7.598 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.084 9.119 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.038 7.837 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.488 8.968 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.120 7.966 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.639 10.477 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.982 10.720 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.075 9.028 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.484 10.593 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.154 9.264 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.180 9.325 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.178 7.980 -0.820 1.00 0.00 H new ATOM 282 N PRO A 19 -13.694 5.384 0.819 1.00 0.00 N ATOM 283 CA PRO A 19 -13.014 4.128 0.471 1.00 0.00 C ATOM 284 C PRO A 19 -11.503 4.254 0.349 1.00 0.00 C ATOM 285 O PRO A 19 -10.864 3.536 -0.422 1.00 0.00 O ATOM 286 CB PRO A 19 -13.601 3.785 -0.886 1.00 0.00 C ATOM 287 CG PRO A 19 -13.948 5.116 -1.473 1.00 0.00 C ATOM 288 CD PRO A 19 -14.436 5.929 -0.331 1.00 0.00 C ATOM 0 HA PRO A 19 -13.166 3.379 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.884 3.249 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.481 3.148 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.080 5.578 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.713 5.019 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.230 6.989 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.513 5.829 -0.198 1.00 0.00 H new ATOM 296 N VAL A 20 -10.948 5.163 1.107 1.00 0.00 N ATOM 297 CA VAL A 20 -9.517 5.408 1.107 1.00 0.00 C ATOM 298 C VAL A 20 -8.782 4.413 2.007 1.00 0.00 C ATOM 299 O VAL A 20 -8.554 4.673 3.189 1.00 0.00 O ATOM 300 CB VAL A 20 -9.218 6.851 1.558 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.575 7.053 3.022 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.764 7.205 1.298 1.00 0.00 C ATOM 0 H VAL A 20 -11.472 5.760 1.747 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.157 5.272 0.087 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.841 7.524 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.353 8.080 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.637 6.856 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.991 6.368 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.575 8.228 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.119 6.523 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.554 7.119 0.232 1.00 0.00 H new ATOM 312 N SER A 21 -8.419 3.269 1.439 1.00 0.00 N ATOM 313 CA SER A 21 -7.716 2.234 2.189 1.00 0.00 C ATOM 314 C SER A 21 -6.262 2.623 2.436 1.00 0.00 C ATOM 315 O SER A 21 -5.724 3.512 1.777 1.00 0.00 O ATOM 316 CB SER A 21 -7.774 0.900 1.444 1.00 0.00 C ATOM 317 OG SER A 21 -7.859 1.102 0.043 1.00 0.00 O ATOM 0 H SER A 21 -8.599 3.034 0.463 1.00 0.00 H new ATOM 0 HA SER A 21 -8.214 2.128 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.887 0.311 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.636 0.326 1.785 1.00 0.00 H new ATOM 0 HG SER A 21 -7.893 0.234 -0.411 1.00 0.00 H new ATOM 323 N PHE A 22 -5.633 1.943 3.390 1.00 0.00 N ATOM 324 CA PHE A 22 -4.241 2.205 3.729 1.00 0.00 C ATOM 325 C PHE A 22 -3.420 0.928 3.625 1.00 0.00 C ATOM 326 O PHE A 22 -3.931 -0.170 3.850 1.00 0.00 O ATOM 327 CB PHE A 22 -4.147 2.794 5.135 1.00 0.00 C ATOM 328 CG PHE A 22 -4.569 4.236 5.190 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.870 4.596 4.885 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.664 5.231 5.532 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.266 5.920 4.921 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.054 6.558 5.567 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.357 6.902 5.262 1.00 0.00 C ATOM 0 H PHE A 22 -6.068 1.204 3.943 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.836 2.928 3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.772 2.211 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.121 2.706 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.585 3.833 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.645 4.967 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.285 6.186 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.341 7.324 5.832 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.664 7.937 5.290 1.00 0.00 H new ATOM 343 N HIS A 23 -2.152 1.071 3.262 1.00 0.00 N ATOM 344 CA HIS A 23 -1.276 -0.083 3.106 1.00 0.00 C ATOM 345 C HIS A 23 0.126 0.187 3.655 1.00 0.00 C ATOM 346 O HIS A 23 0.802 1.119 3.229 1.00 0.00 O ATOM 347 CB HIS A 23 -1.194 -0.468 1.630 1.00 0.00 C ATOM 348 CG HIS A 23 -2.503 -0.355 0.910 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.269 0.728 0.632 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -3.174 -1.439 0.388 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -4.377 0.281 -0.044 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -4.295 -1.030 -0.179 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.709 1.970 3.071 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.700 -0.906 3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.461 0.170 1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.831 -1.493 1.549 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.061 1.695 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.836 -2.464 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.184 0.900 -0.406 1.00 0.00 H new ATOM 361 N LYS A 24 0.556 -0.649 4.594 1.00 0.00 N ATOM 362 CA LYS A 24 1.882 -0.518 5.204 1.00 0.00 C ATOM 363 C LYS A 24 2.978 -0.807 4.183 1.00 0.00 C ATOM 364 O LYS A 24 2.734 -1.473 3.178 1.00 0.00 O ATOM 365 CB LYS A 24 2.011 -1.474 6.391 1.00 0.00 C ATOM 366 CG LYS A 24 1.436 -0.922 7.686 1.00 0.00 C ATOM 367 CD LYS A 24 2.524 -0.664 8.718 1.00 0.00 C ATOM 368 CE LYS A 24 2.158 0.491 9.637 1.00 0.00 C ATOM 369 NZ LYS A 24 2.596 0.248 11.039 1.00 0.00 N ATOM 0 H LYS A 24 0.006 -1.429 4.953 1.00 0.00 H new ATOM 0 HA LYS A 24 1.998 0.507 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.506 -2.409 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.064 -1.710 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.901 0.005 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.709 -1.626 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.686 -1.564 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.463 -0.443 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.617 1.408 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.079 0.644 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.327 1.059 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.138 -0.613 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.629 0.128 11.064 1.00 0.00 H new ATOM 383 N PHE A 25 4.190 -0.311 4.440 1.00 0.00 N ATOM 384 CA PHE A 25 5.300 -0.541 3.522 1.00 0.00 C ATOM 385 C PHE A 25 5.554 -2.037 3.373 1.00 0.00 C ATOM 386 O PHE A 25 5.625 -2.768 4.361 1.00 0.00 O ATOM 387 CB PHE A 25 6.560 0.210 3.966 1.00 0.00 C ATOM 388 CG PHE A 25 6.906 1.341 3.031 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.350 2.602 3.203 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.765 1.135 1.962 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.645 3.632 2.326 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.067 2.162 1.086 1.00 0.00 C ATOM 393 CZ PHE A 25 7.505 3.412 1.267 1.00 0.00 C ATOM 0 H PHE A 25 4.423 0.244 5.264 1.00 0.00 H new ATOM 0 HA PHE A 25 5.029 -0.144 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.411 0.604 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.397 -0.486 4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.680 2.781 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.204 0.160 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.203 4.607 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.742 1.987 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.737 4.214 0.583 1.00 0.00 H new ATOM 403 N PRO A 26 5.643 -2.520 2.121 1.00 0.00 N ATOM 404 CA PRO A 26 5.830 -3.937 1.820 1.00 0.00 C ATOM 405 C PRO A 26 7.292 -4.356 1.702 1.00 0.00 C ATOM 406 O PRO A 26 8.166 -3.538 1.418 1.00 0.00 O ATOM 407 CB PRO A 26 5.127 -4.032 0.474 1.00 0.00 C ATOM 408 CG PRO A 26 5.515 -2.770 -0.204 1.00 0.00 C ATOM 409 CD PRO A 26 5.521 -1.725 0.879 1.00 0.00 C ATOM 0 HA PRO A 26 5.449 -4.593 2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.452 -4.907 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.046 -4.111 0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.496 -2.859 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.809 -2.514 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.353 -1.031 0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.607 -1.131 0.870 1.00 0.00 H new ATOM 417 N LEU A 27 7.544 -5.646 1.924 1.00 0.00 N ATOM 418 CA LEU A 27 8.887 -6.196 1.847 1.00 0.00 C ATOM 419 C LEU A 27 9.036 -7.131 0.648 1.00 0.00 C ATOM 420 O LEU A 27 10.127 -7.276 0.096 1.00 0.00 O ATOM 421 CB LEU A 27 9.230 -6.947 3.136 1.00 0.00 C ATOM 422 CG LEU A 27 8.458 -8.252 3.353 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.416 -9.412 3.581 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.496 -8.117 4.525 1.00 0.00 C ATOM 0 H LEU A 27 6.825 -6.330 2.160 1.00 0.00 H new ATOM 0 HA LEU A 27 9.579 -5.364 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.297 -7.170 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.043 -6.287 3.983 1.00 0.00 H new ATOM 0 HG LEU A 27 7.878 -8.458 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.847 -10.329 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.063 -9.526 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.025 -9.213 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.957 -9.054 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.056 -7.884 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.785 -7.316 4.322 1.00 0.00 H new ATOM 436 N THR A 28 7.934 -7.761 0.247 1.00 0.00 N ATOM 437 CA THR A 28 7.948 -8.676 -0.890 1.00 0.00 C ATOM 438 C THR A 28 8.298 -7.926 -2.167 1.00 0.00 C ATOM 439 O THR A 28 8.861 -8.492 -3.103 1.00 0.00 O ATOM 440 CB THR A 28 6.590 -9.365 -1.039 1.00 0.00 C ATOM 441 OG1 THR A 28 5.536 -8.462 -0.758 1.00 0.00 O ATOM 442 CG2 THR A 28 6.424 -10.563 -0.129 1.00 0.00 C ATOM 0 H THR A 28 7.022 -7.654 0.692 1.00 0.00 H new ATOM 0 HA THR A 28 8.707 -9.438 -0.711 1.00 0.00 H new ATOM 0 HB THR A 28 6.551 -9.707 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.676 -8.921 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.440 -11.005 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.193 -11.301 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.519 -10.247 0.910 1.00 0.00 H new ATOM 450 N ARG A 29 7.958 -6.644 -2.185 1.00 0.00 N ATOM 451 CA ARG A 29 8.222 -5.780 -3.317 1.00 0.00 C ATOM 452 C ARG A 29 9.363 -4.822 -2.970 1.00 0.00 C ATOM 453 O ARG A 29 9.136 -3.818 -2.302 1.00 0.00 O ATOM 454 CB ARG A 29 6.939 -5.014 -3.633 1.00 0.00 C ATOM 455 CG ARG A 29 7.071 -4.057 -4.793 1.00 0.00 C ATOM 456 CD ARG A 29 6.953 -2.625 -4.319 1.00 0.00 C ATOM 457 NE ARG A 29 5.591 -2.112 -4.480 1.00 0.00 N ATOM 458 CZ ARG A 29 5.272 -0.934 -5.035 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.209 -0.063 -5.421 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.000 -0.622 -5.187 1.00 0.00 N ATOM 0 H ARG A 29 7.489 -6.177 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 29 8.523 -6.359 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.145 -5.728 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.632 -4.457 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.032 -4.205 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.298 -4.266 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.243 -2.564 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.647 -1.998 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 29 4.825 -2.696 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.196 -0.287 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.937 0.826 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.276 -1.273 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.740 0.270 -5.607 1.00 0.00 H new ATOM 474 N PRO A 30 10.615 -5.153 -3.373 1.00 0.00 N ATOM 475 CA PRO A 30 11.803 -4.348 -3.064 1.00 0.00 C ATOM 476 C PRO A 30 12.209 -3.325 -4.135 1.00 0.00 C ATOM 477 O PRO A 30 12.072 -2.124 -3.925 1.00 0.00 O ATOM 478 CB PRO A 30 12.863 -5.414 -2.908 1.00 0.00 C ATOM 479 CG PRO A 30 12.468 -6.513 -3.849 1.00 0.00 C ATOM 480 CD PRO A 30 10.984 -6.366 -4.120 1.00 0.00 C ATOM 0 HA PRO A 30 11.634 -3.713 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.851 -5.024 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.909 -5.775 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.036 -6.446 -4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.684 -7.488 -3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.780 -6.259 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.425 -7.236 -3.774 1.00 0.00 H new ATOM 488 N SER A 31 12.721 -3.782 -5.278 1.00 0.00 N ATOM 489 CA SER A 31 13.137 -2.856 -6.335 1.00 0.00 C ATOM 490 C SER A 31 12.010 -1.890 -6.635 1.00 0.00 C ATOM 491 O SER A 31 12.172 -0.669 -6.575 1.00 0.00 O ATOM 492 CB SER A 31 13.531 -3.621 -7.600 1.00 0.00 C ATOM 493 OG SER A 31 12.609 -4.662 -7.873 1.00 0.00 O ATOM 0 H SER A 31 12.857 -4.769 -5.495 1.00 0.00 H new ATOM 0 HA SER A 31 14.008 -2.298 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.571 -2.935 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.531 -4.038 -7.480 1.00 0.00 H new ATOM 0 HG SER A 31 12.881 -5.135 -8.687 1.00 0.00 H new ATOM 499 N LEU A 32 10.856 -2.461 -6.900 1.00 0.00 N ATOM 500 CA LEU A 32 9.659 -1.694 -7.156 1.00 0.00 C ATOM 501 C LEU A 32 9.386 -0.804 -5.948 1.00 0.00 C ATOM 502 O LEU A 32 8.911 0.321 -6.071 1.00 0.00 O ATOM 503 CB LEU A 32 8.499 -2.653 -7.379 1.00 0.00 C ATOM 504 CG LEU A 32 7.121 -2.015 -7.593 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.236 -0.638 -8.221 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.257 -2.907 -8.462 1.00 0.00 C ATOM 0 H LEU A 32 10.722 -3.471 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 32 9.780 -1.072 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.728 -3.271 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.437 -3.321 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 32 6.654 -1.903 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.240 -0.216 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.819 0.012 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.732 -0.720 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.282 -2.441 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.738 -3.048 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.129 -3.874 -7.976 1.00 0.00 H new ATOM 518 N CYS A 33 9.708 -1.338 -4.767 1.00 0.00 N ATOM 519 CA CYS A 33 9.516 -0.624 -3.506 1.00 0.00 C ATOM 520 C CYS A 33 10.109 0.773 -3.570 1.00 0.00 C ATOM 521 O CYS A 33 9.587 1.708 -2.969 1.00 0.00 O ATOM 522 CB CYS A 33 10.171 -1.390 -2.368 1.00 0.00 C ATOM 523 SG CYS A 33 9.401 -1.124 -0.753 1.00 0.00 S ATOM 0 H CYS A 33 10.106 -2.271 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 33 8.443 -0.542 -3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.144 -2.455 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.221 -1.103 -2.309 1.00 0.00 H new ATOM 0 HG CYS A 33 9.084 -2.271 -0.229 1.00 0.00 H new ATOM 529 N LYS A 34 11.195 0.915 -4.316 1.00 0.00 N ATOM 530 CA LYS A 34 11.837 2.204 -4.469 1.00 0.00 C ATOM 531 C LYS A 34 10.786 3.206 -4.913 1.00 0.00 C ATOM 532 O LYS A 34 10.765 4.355 -4.475 1.00 0.00 O ATOM 533 CB LYS A 34 12.979 2.098 -5.498 1.00 0.00 C ATOM 534 CG LYS A 34 13.460 3.440 -6.037 1.00 0.00 C ATOM 535 CD LYS A 34 14.401 3.264 -7.221 1.00 0.00 C ATOM 536 CE LYS A 34 13.746 2.512 -8.376 1.00 0.00 C ATOM 537 NZ LYS A 34 13.572 3.380 -9.574 1.00 0.00 N ATOM 0 H LYS A 34 11.646 0.153 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 34 12.272 2.534 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.821 1.581 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.645 1.482 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.602 4.040 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.969 3.989 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.731 4.243 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.291 2.724 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.356 1.648 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.775 2.132 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.124 2.833 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.969 4.192 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.501 3.722 -9.893 1.00 0.00 H new ATOM 551 N GLU A 35 9.885 2.727 -5.761 1.00 0.00 N ATOM 552 CA GLU A 35 8.798 3.527 -6.262 1.00 0.00 C ATOM 553 C GLU A 35 8.002 4.087 -5.109 1.00 0.00 C ATOM 554 O GLU A 35 7.591 5.248 -5.111 1.00 0.00 O ATOM 555 CB GLU A 35 7.887 2.683 -7.149 1.00 0.00 C ATOM 556 CG GLU A 35 8.609 2.096 -8.329 1.00 0.00 C ATOM 557 CD GLU A 35 7.693 1.839 -9.510 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.607 2.455 -9.565 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.062 1.023 -10.380 1.00 0.00 O ATOM 0 H GLU A 35 9.896 1.771 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 35 9.208 4.347 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.454 1.878 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.060 3.298 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.407 2.773 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.082 1.160 -8.031 1.00 0.00 H new ATOM 566 N TRP A 36 7.816 3.243 -4.109 1.00 0.00 N ATOM 567 CA TRP A 36 7.085 3.639 -2.918 1.00 0.00 C ATOM 568 C TRP A 36 7.769 4.819 -2.273 1.00 0.00 C ATOM 569 O TRP A 36 7.111 5.744 -1.797 1.00 0.00 O ATOM 570 CB TRP A 36 6.921 2.486 -1.958 1.00 0.00 C ATOM 571 CG TRP A 36 5.616 1.786 -2.114 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.002 1.415 -3.270 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.752 1.397 -1.058 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.810 0.792 -2.988 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.639 0.769 -1.626 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.819 1.512 0.319 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.604 0.260 -0.841 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.791 1.012 1.070 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.710 0.397 0.497 1.00 0.00 C ATOM 0 H TRP A 36 8.160 2.283 -4.098 1.00 0.00 H new ATOM 0 HA TRP A 36 6.078 3.941 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.731 1.773 -2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.010 2.855 -0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.393 1.585 -4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.161 0.410 -3.676 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.666 1.987 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.749 -0.226 -1.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.833 1.105 2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.924 0.013 1.131 1.00 0.00 H new ATOM 590 N GLU A 37 9.097 4.829 -2.320 1.00 0.00 N ATOM 591 CA GLU A 37 9.836 5.960 -1.786 1.00 0.00 C ATOM 592 C GLU A 37 9.415 7.212 -2.537 1.00 0.00 C ATOM 593 O GLU A 37 9.321 8.302 -1.973 1.00 0.00 O ATOM 594 CB GLU A 37 11.326 5.732 -1.956 1.00 0.00 C ATOM 595 CG GLU A 37 11.810 4.441 -1.325 1.00 0.00 C ATOM 596 CD GLU A 37 13.080 4.624 -0.517 1.00 0.00 C ATOM 597 OE1 GLU A 37 14.151 4.818 -1.130 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.003 4.577 0.729 1.00 0.00 O ATOM 0 H GLU A 37 9.671 4.083 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 37 9.622 6.074 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.566 5.721 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.867 6.569 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.028 4.042 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.985 3.703 -2.107 1.00 0.00 H new ATOM 605 N ALA A 38 9.134 7.019 -3.821 1.00 0.00 N ATOM 606 CA ALA A 38 8.685 8.101 -4.685 1.00 0.00 C ATOM 607 C ALA A 38 7.369 8.655 -4.167 1.00 0.00 C ATOM 608 O ALA A 38 7.099 9.852 -4.260 1.00 0.00 O ATOM 609 CB ALA A 38 8.536 7.615 -6.120 1.00 0.00 C ATOM 0 H ALA A 38 9.211 6.115 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 38 9.431 8.895 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.200 8.438 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.497 7.250 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.804 6.808 -6.157 1.00 0.00 H new ATOM 615 N ALA A 39 6.569 7.767 -3.582 1.00 0.00 N ATOM 616 CA ALA A 39 5.291 8.146 -2.997 1.00 0.00 C ATOM 617 C ALA A 39 5.502 9.290 -2.018 1.00 0.00 C ATOM 618 O ALA A 39 4.606 10.094 -1.766 1.00 0.00 O ATOM 619 CB ALA A 39 4.663 6.954 -2.284 1.00 0.00 C ATOM 0 H ALA A 39 6.788 6.774 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 39 4.616 8.470 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.708 7.251 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.502 6.146 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.329 6.611 -1.492 1.00 0.00 H new ATOM 625 N VAL A 40 6.713 9.339 -1.473 1.00 0.00 N ATOM 626 CA VAL A 40 7.094 10.359 -0.519 1.00 0.00 C ATOM 627 C VAL A 40 8.042 11.370 -1.166 1.00 0.00 C ATOM 628 O VAL A 40 7.731 12.558 -1.260 1.00 0.00 O ATOM 629 CB VAL A 40 7.770 9.707 0.710 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.368 10.743 1.646 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.783 8.823 1.451 1.00 0.00 C ATOM 0 H VAL A 40 7.454 8.670 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 40 6.196 10.885 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 40 8.591 9.090 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.832 10.241 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.120 11.324 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.581 11.408 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.275 8.372 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.938 9.424 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.426 8.038 0.785 1.00 0.00 H new ATOM 641 N ARG A 41 9.193 10.884 -1.619 1.00 0.00 N ATOM 642 CA ARG A 41 10.188 11.730 -2.272 1.00 0.00 C ATOM 643 C ARG A 41 10.664 12.858 -1.356 1.00 0.00 C ATOM 644 O ARG A 41 11.226 13.848 -1.824 1.00 0.00 O ATOM 645 CB ARG A 41 9.609 12.318 -3.563 1.00 0.00 C ATOM 646 CG ARG A 41 10.627 13.067 -4.416 1.00 0.00 C ATOM 647 CD ARG A 41 10.947 12.311 -5.698 1.00 0.00 C ATOM 648 NE ARG A 41 12.343 12.477 -6.102 1.00 0.00 N ATOM 649 CZ ARG A 41 12.777 13.433 -6.922 1.00 0.00 C ATOM 650 NH1 ARG A 41 11.933 14.328 -7.423 1.00 0.00 N ATOM 651 NH2 ARG A 41 14.063 13.495 -7.244 1.00 0.00 N ATOM 0 H ARG A 41 9.462 9.903 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 41 11.050 11.105 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.177 11.511 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.795 12.997 -3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.239 14.055 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.542 13.218 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.735 11.251 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.295 12.662 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 41 13.028 11.818 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.943 14.287 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.275 15.056 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.717 12.811 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.397 14.226 -7.872 1.00 0.00 H new ATOM 665 N ARG A 42 10.442 12.713 -0.054 1.00 0.00 N ATOM 666 CA ARG A 42 10.858 13.734 0.901 1.00 0.00 C ATOM 667 C ARG A 42 11.602 13.101 2.083 1.00 0.00 C ATOM 668 O ARG A 42 11.314 11.964 2.453 1.00 0.00 O ATOM 669 CB ARG A 42 9.634 14.495 1.405 1.00 0.00 C ATOM 670 CG ARG A 42 9.145 15.562 0.440 1.00 0.00 C ATOM 671 CD ARG A 42 10.128 16.718 0.336 1.00 0.00 C ATOM 672 NE ARG A 42 10.713 16.818 -1.000 1.00 0.00 N ATOM 673 CZ ARG A 42 10.016 17.112 -2.095 1.00 0.00 C ATOM 674 NH1 ARG A 42 8.710 17.335 -2.020 1.00 0.00 N ATOM 675 NH2 ARG A 42 10.629 17.184 -3.270 1.00 0.00 N ATOM 0 H ARG A 42 9.980 11.905 0.362 1.00 0.00 H new ATOM 0 HA ARG A 42 11.535 14.425 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.827 13.787 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.874 14.962 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.996 15.121 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.176 15.936 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.619 17.650 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.922 16.587 1.071 1.00 0.00 H new ATOM 0 HE ARG A 42 11.715 16.653 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.234 17.282 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.182 17.560 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.633 17.014 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.096 17.409 -4.110 1.00 0.00 H new ATOM 689 N LYS A 43 12.545 13.833 2.690 1.00 0.00 N ATOM 690 CA LYS A 43 13.287 13.306 3.831 1.00 0.00 C ATOM 691 C LYS A 43 12.384 13.254 5.057 1.00 0.00 C ATOM 692 O LYS A 43 12.167 14.264 5.724 1.00 0.00 O ATOM 693 CB LYS A 43 14.515 14.171 4.121 1.00 0.00 C ATOM 694 CG LYS A 43 15.717 13.378 4.613 1.00 0.00 C ATOM 695 CD LYS A 43 16.274 12.478 3.523 1.00 0.00 C ATOM 696 CE LYS A 43 17.005 11.281 4.110 1.00 0.00 C ATOM 697 NZ LYS A 43 16.176 10.562 5.117 1.00 0.00 N ATOM 0 H LYS A 43 12.806 14.779 2.411 1.00 0.00 H new ATOM 0 HA LYS A 43 13.624 12.298 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.792 14.709 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.253 14.919 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.493 14.064 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.428 12.774 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.461 12.132 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.955 13.048 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.279 10.595 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.933 11.615 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.454 9.560 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.323 10.987 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.172 10.636 4.857 1.00 0.00 H new ATOM 711 N ASN A 44 11.843 12.073 5.336 1.00 0.00 N ATOM 712 CA ASN A 44 10.941 11.896 6.467 1.00 0.00 C ATOM 713 C ASN A 44 10.461 10.446 6.562 1.00 0.00 C ATOM 714 O ASN A 44 11.059 9.637 7.270 1.00 0.00 O ATOM 715 CB ASN A 44 9.751 12.843 6.314 1.00 0.00 C ATOM 716 CG ASN A 44 8.631 12.555 7.291 1.00 0.00 C ATOM 717 OD1 ASN A 44 7.452 12.650 6.949 1.00 0.00 O ATOM 718 ND2 ASN A 44 8.993 12.200 8.514 1.00 0.00 N ATOM 0 H ASN A 44 12.013 11.225 4.795 1.00 0.00 H new ATOM 0 HA ASN A 44 11.476 12.129 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.091 13.869 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.365 12.770 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.283 11.993 9.216 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.982 12.134 8.754 1.00 0.00 H new ATOM 725 N PHE A 45 9.383 10.134 5.821 1.00 0.00 N ATOM 726 CA PHE A 45 8.792 8.790 5.771 1.00 0.00 C ATOM 727 C PHE A 45 9.536 7.788 6.649 1.00 0.00 C ATOM 728 O PHE A 45 10.268 6.932 6.153 1.00 0.00 O ATOM 729 CB PHE A 45 8.759 8.299 4.314 1.00 0.00 C ATOM 730 CG PHE A 45 10.120 8.297 3.650 1.00 0.00 C ATOM 731 CD1 PHE A 45 10.892 9.448 3.665 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.638 7.165 3.014 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.132 9.485 3.077 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.886 7.201 2.421 1.00 0.00 C ATOM 735 CZ PHE A 45 12.635 8.362 2.453 1.00 0.00 C ATOM 0 H PHE A 45 8.896 10.814 5.237 1.00 0.00 H new ATOM 0 HA PHE A 45 7.778 8.861 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.348 7.290 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.084 8.933 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.510 10.334 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.058 6.254 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.714 10.394 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.276 6.321 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.611 8.390 1.991 1.00 0.00 H new ATOM 745 N LYS A 46 9.333 7.902 7.958 1.00 0.00 N ATOM 746 CA LYS A 46 9.972 7.008 8.913 1.00 0.00 C ATOM 747 C LYS A 46 9.131 5.744 9.092 1.00 0.00 C ATOM 748 O LYS A 46 8.016 5.804 9.612 1.00 0.00 O ATOM 749 CB LYS A 46 10.150 7.720 10.260 1.00 0.00 C ATOM 750 CG LYS A 46 11.284 7.169 11.113 1.00 0.00 C ATOM 751 CD LYS A 46 12.586 7.912 10.855 1.00 0.00 C ATOM 752 CE LYS A 46 12.561 9.304 11.466 1.00 0.00 C ATOM 753 NZ LYS A 46 12.711 9.264 12.946 1.00 0.00 N ATOM 0 H LYS A 46 8.729 8.607 8.381 1.00 0.00 H new ATOM 0 HA LYS A 46 10.953 6.725 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.330 8.779 10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.219 7.647 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.020 7.250 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.420 6.109 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.419 7.345 11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.757 7.987 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.363 9.903 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.623 9.796 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.842 10.230 13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.857 8.848 13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.539 8.686 13.196 1.00 0.00 H new ATOM 767 N PRO A 47 9.639 4.581 8.646 1.00 0.00 N ATOM 768 CA PRO A 47 8.915 3.302 8.737 1.00 0.00 C ATOM 769 C PRO A 47 8.364 2.984 10.128 1.00 0.00 C ATOM 770 O PRO A 47 7.605 2.030 10.295 1.00 0.00 O ATOM 771 CB PRO A 47 9.981 2.288 8.342 1.00 0.00 C ATOM 772 CG PRO A 47 10.784 3.035 7.360 1.00 0.00 C ATOM 773 CD PRO A 47 10.946 4.401 7.986 1.00 0.00 C ATOM 0 HA PRO A 47 8.025 3.307 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.578 1.972 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.544 1.388 7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.749 2.558 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.281 3.095 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.772 4.431 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.139 5.173 7.241 1.00 0.00 H new ATOM 781 N THR A 48 8.744 3.776 11.120 1.00 0.00 N ATOM 782 CA THR A 48 8.280 3.566 12.489 1.00 0.00 C ATOM 783 C THR A 48 6.759 3.655 12.562 1.00 0.00 C ATOM 784 O THR A 48 6.094 2.755 13.075 1.00 0.00 O ATOM 785 CB THR A 48 8.906 4.615 13.413 1.00 0.00 C ATOM 786 OG1 THR A 48 8.393 4.499 14.728 1.00 0.00 O ATOM 787 CG2 THR A 48 8.656 6.030 12.940 1.00 0.00 C ATOM 0 H THR A 48 9.373 4.571 11.005 1.00 0.00 H new ATOM 0 HA THR A 48 8.584 2.570 12.810 1.00 0.00 H new ATOM 0 HB THR A 48 9.979 4.422 13.399 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.807 5.177 15.302 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.121 6.732 13.631 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.083 6.162 11.946 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.583 6.216 12.901 1.00 0.00 H new ATOM 795 N LYS A 49 6.218 4.748 12.039 1.00 0.00 N ATOM 796 CA LYS A 49 4.780 4.974 12.029 1.00 0.00 C ATOM 797 C LYS A 49 4.311 5.353 10.627 1.00 0.00 C ATOM 798 O LYS A 49 3.148 5.150 10.274 1.00 0.00 O ATOM 799 CB LYS A 49 4.410 6.085 13.014 1.00 0.00 C ATOM 800 CG LYS A 49 4.651 5.713 14.471 1.00 0.00 C ATOM 801 CD LYS A 49 3.432 6.001 15.343 1.00 0.00 C ATOM 802 CE LYS A 49 2.897 7.413 15.136 1.00 0.00 C ATOM 803 NZ LYS A 49 1.744 7.436 14.192 1.00 0.00 N ATOM 0 H LYS A 49 6.761 5.499 11.612 1.00 0.00 H new ATOM 0 HA LYS A 49 4.286 4.051 12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.988 6.978 12.775 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.359 6.341 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.903 4.655 14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.508 6.270 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.647 5.280 15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.697 5.865 16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.589 7.829 16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.693 8.051 14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.001 7.979 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.499 6.463 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.926 7.883 14.654 1.00 0.00 H new ATOM 817 N TYR A 50 5.224 5.913 9.831 1.00 0.00 N ATOM 818 CA TYR A 50 4.906 6.327 8.474 1.00 0.00 C ATOM 819 C TYR A 50 4.871 5.140 7.516 1.00 0.00 C ATOM 820 O TYR A 50 4.279 5.238 6.446 1.00 0.00 O ATOM 821 CB TYR A 50 5.911 7.371 7.981 1.00 0.00 C ATOM 822 CG TYR A 50 5.777 8.708 8.675 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.775 9.600 8.315 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.652 9.079 9.688 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.648 10.823 8.945 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.531 10.300 10.325 1.00 0.00 C ATOM 827 CZ TYR A 50 5.528 11.169 9.950 1.00 0.00 C ATOM 828 OH TYR A 50 5.403 12.386 10.581 1.00 0.00 O ATOM 0 H TYR A 50 6.190 6.088 10.109 1.00 0.00 H new ATOM 0 HA TYR A 50 3.911 6.771 8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.922 6.991 8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.780 7.512 6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.084 9.333 7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.440 8.402 9.983 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.864 11.505 8.652 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.218 10.572 11.112 1.00 0.00 H new ATOM 0 HH TYR A 50 6.100 12.473 11.264 1.00 0.00 H new ATOM 838 N SER A 51 5.511 4.026 7.896 1.00 0.00 N ATOM 839 CA SER A 51 5.543 2.823 7.049 1.00 0.00 C ATOM 840 C SER A 51 4.148 2.442 6.536 1.00 0.00 C ATOM 841 O SER A 51 3.608 1.399 6.907 1.00 0.00 O ATOM 842 CB SER A 51 6.129 1.638 7.825 1.00 0.00 C ATOM 843 OG SER A 51 5.547 1.537 9.113 1.00 0.00 O ATOM 0 H SER A 51 6.012 3.931 8.780 1.00 0.00 H new ATOM 0 HA SER A 51 6.173 3.057 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.957 0.715 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.208 1.758 7.918 1.00 0.00 H new ATOM 0 HG SER A 51 6.250 1.387 9.779 1.00 0.00 H new ATOM 849 N SER A 52 3.570 3.281 5.680 1.00 0.00 N ATOM 850 CA SER A 52 2.249 3.014 5.121 1.00 0.00 C ATOM 851 C SER A 52 1.863 4.075 4.102 1.00 0.00 C ATOM 852 O SER A 52 2.243 5.236 4.221 1.00 0.00 O ATOM 853 CB SER A 52 1.198 2.938 6.230 1.00 0.00 C ATOM 854 OG SER A 52 1.165 4.137 6.985 1.00 0.00 O ATOM 0 H SER A 52 3.996 4.151 5.359 1.00 0.00 H new ATOM 0 HA SER A 52 2.290 2.050 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.217 2.753 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.418 2.097 6.887 1.00 0.00 H new ATOM 0 HG SER A 52 0.484 4.063 7.686 1.00 0.00 H new ATOM 860 N ILE A 53 1.105 3.660 3.100 1.00 0.00 N ATOM 861 CA ILE A 53 0.661 4.553 2.046 1.00 0.00 C ATOM 862 C ILE A 53 -0.856 4.477 1.935 1.00 0.00 C ATOM 863 O ILE A 53 -1.454 3.478 2.337 1.00 0.00 O ATOM 864 CB ILE A 53 1.293 4.137 0.699 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.805 3.878 0.850 1.00 0.00 C ATOM 866 CG2 ILE A 53 1.015 5.150 -0.417 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.679 5.114 0.877 1.00 0.00 C ATOM 0 H ILE A 53 0.782 2.698 2.996 1.00 0.00 H new ATOM 0 HA ILE A 53 0.967 5.572 2.284 1.00 0.00 H new ATOM 0 HB ILE A 53 0.815 3.203 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.970 3.318 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.131 3.242 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.481 4.810 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.061 5.242 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.427 6.120 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.723 4.819 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.554 5.668 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.390 5.745 1.717 1.00 0.00 H new ATOM 879 N CYS A 54 -1.488 5.519 1.406 1.00 0.00 N ATOM 880 CA CYS A 54 -2.933 5.516 1.280 1.00 0.00 C ATOM 881 C CYS A 54 -3.348 5.383 -0.195 1.00 0.00 C ATOM 882 O CYS A 54 -2.547 5.642 -1.093 1.00 0.00 O ATOM 883 CB CYS A 54 -3.514 6.758 1.959 1.00 0.00 C ATOM 884 SG CYS A 54 -3.720 8.196 0.900 1.00 0.00 S ATOM 0 H CYS A 54 -1.028 6.362 1.064 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.347 4.647 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.484 6.499 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.866 7.032 2.792 1.00 0.00 H new ATOM 889 N SER A 55 -4.579 4.925 -0.437 1.00 0.00 N ATOM 890 CA SER A 55 -5.070 4.695 -1.796 1.00 0.00 C ATOM 891 C SER A 55 -5.018 5.939 -2.690 1.00 0.00 C ATOM 892 O SER A 55 -4.753 5.831 -3.887 1.00 0.00 O ATOM 893 CB SER A 55 -6.503 4.161 -1.745 1.00 0.00 C ATOM 894 OG SER A 55 -7.143 4.533 -0.537 1.00 0.00 O ATOM 0 H SER A 55 -5.255 4.706 0.294 1.00 0.00 H new ATOM 0 HA SER A 55 -4.399 3.962 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.068 4.546 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.493 3.075 -1.835 1.00 0.00 H new ATOM 0 HG SER A 55 -6.812 5.409 -0.248 1.00 0.00 H new ATOM 900 N GLU A 56 -5.302 7.106 -2.122 1.00 0.00 N ATOM 901 CA GLU A 56 -5.324 8.349 -2.860 1.00 0.00 C ATOM 902 C GLU A 56 -4.189 8.481 -3.885 1.00 0.00 C ATOM 903 O GLU A 56 -4.327 9.200 -4.874 1.00 0.00 O ATOM 904 CB GLU A 56 -5.273 9.496 -1.865 1.00 0.00 C ATOM 905 CG GLU A 56 -6.404 9.460 -0.862 1.00 0.00 C ATOM 906 CD GLU A 56 -6.792 10.840 -0.368 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.987 11.780 -0.539 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.900 10.981 0.190 1.00 0.00 O ATOM 0 H GLU A 56 -5.523 7.209 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.245 8.371 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.322 9.466 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.305 10.441 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.273 8.984 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.111 8.843 -0.012 1.00 0.00 H new ATOM 915 N HIS A 57 -3.066 7.811 -3.643 1.00 0.00 N ATOM 916 CA HIS A 57 -1.919 7.892 -4.552 1.00 0.00 C ATOM 917 C HIS A 57 -1.848 6.682 -5.478 1.00 0.00 C ATOM 918 O HIS A 57 -1.252 6.748 -6.554 1.00 0.00 O ATOM 919 CB HIS A 57 -0.623 8.020 -3.737 1.00 0.00 C ATOM 920 CG HIS A 57 -0.780 8.913 -2.560 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.225 10.215 -2.646 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.623 8.648 -1.251 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.341 10.711 -1.420 1.00 0.00 C ATOM 924 NE2 HIS A 57 -0.984 9.773 -0.549 1.00 0.00 N ATOM 0 H HIS A 57 -2.923 7.209 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.043 8.775 -5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.309 7.032 -3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.170 8.405 -4.378 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.431 10.716 -3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.275 7.717 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.670 11.709 -1.172 1.00 0.00 H new ATOM 932 N PHE A 58 -2.460 5.581 -5.061 1.00 0.00 N ATOM 933 CA PHE A 58 -2.464 4.363 -5.861 1.00 0.00 C ATOM 934 C PHE A 58 -3.567 4.419 -6.920 1.00 0.00 C ATOM 935 O PHE A 58 -4.492 5.224 -6.811 1.00 0.00 O ATOM 936 CB PHE A 58 -2.683 3.148 -4.962 1.00 0.00 C ATOM 937 CG PHE A 58 -1.446 2.729 -4.232 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.430 2.062 -4.894 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.296 3.009 -2.885 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.715 1.684 -4.225 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.154 2.631 -2.212 1.00 0.00 C ATOM 942 CZ PHE A 58 0.852 1.970 -2.883 1.00 0.00 C ATOM 0 H PHE A 58 -2.959 5.506 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.499 4.277 -6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.466 3.375 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.041 2.315 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.535 1.835 -5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.081 3.529 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.503 1.165 -4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.048 2.853 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.748 1.676 -2.357 1.00 0.00 H new ATOM 952 N THR A 59 -3.481 3.557 -7.932 1.00 0.00 N ATOM 953 CA THR A 59 -4.501 3.526 -8.979 1.00 0.00 C ATOM 954 C THR A 59 -5.666 2.627 -8.568 1.00 0.00 C ATOM 955 O THR A 59 -5.473 1.568 -7.970 1.00 0.00 O ATOM 956 CB THR A 59 -3.936 3.031 -10.315 1.00 0.00 C ATOM 957 OG1 THR A 59 -3.175 1.852 -10.130 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.057 4.035 -11.041 1.00 0.00 C ATOM 0 H THR A 59 -2.727 2.880 -8.049 1.00 0.00 H new ATOM 0 HA THR A 59 -4.851 4.550 -9.110 1.00 0.00 H new ATOM 0 HB THR A 59 -4.816 2.853 -10.933 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.824 1.550 -10.994 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.702 3.599 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.634 4.935 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.204 4.292 -10.413 1.00 0.00 H new ATOM 966 N PRO A 60 -6.894 3.049 -8.897 1.00 0.00 N ATOM 967 CA PRO A 60 -8.120 2.300 -8.584 1.00 0.00 C ATOM 968 C PRO A 60 -8.094 0.873 -9.125 1.00 0.00 C ATOM 969 O PRO A 60 -8.544 -0.063 -8.465 1.00 0.00 O ATOM 970 CB PRO A 60 -9.213 3.102 -9.300 1.00 0.00 C ATOM 971 CG PRO A 60 -8.657 4.463 -9.425 1.00 0.00 C ATOM 972 CD PRO A 60 -7.183 4.297 -9.615 1.00 0.00 C ATOM 0 HA PRO A 60 -8.263 2.199 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.441 2.676 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.141 3.104 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.101 4.989 -10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.870 5.054 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.918 4.226 -10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.626 5.138 -9.202 1.00 0.00 H new ATOM 980 N ASP A 61 -7.588 0.722 -10.345 1.00 0.00 N ATOM 981 CA ASP A 61 -7.527 -0.579 -11.000 1.00 0.00 C ATOM 982 C ASP A 61 -6.443 -1.478 -10.410 1.00 0.00 C ATOM 983 O ASP A 61 -6.438 -2.686 -10.648 1.00 0.00 O ATOM 984 CB ASP A 61 -7.287 -0.401 -12.501 1.00 0.00 C ATOM 985 CG ASP A 61 -7.430 -1.699 -13.271 1.00 0.00 C ATOM 986 OD1 ASP A 61 -8.014 -2.656 -12.720 1.00 0.00 O ATOM 987 OD2 ASP A 61 -6.957 -1.760 -14.425 1.00 0.00 O ATOM 0 H ASP A 61 -7.212 1.489 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.487 -1.068 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.993 0.330 -12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.287 0.004 -12.660 1.00 0.00 H new ATOM 992 N CYS A 62 -5.520 -0.897 -9.652 1.00 0.00 N ATOM 993 CA CYS A 62 -4.444 -1.666 -9.056 1.00 0.00 C ATOM 994 C CYS A 62 -4.718 -1.959 -7.586 1.00 0.00 C ATOM 995 O CYS A 62 -3.790 -2.176 -6.808 1.00 0.00 O ATOM 996 CB CYS A 62 -3.137 -0.902 -9.188 1.00 0.00 C ATOM 997 SG CYS A 62 -1.673 -1.896 -8.828 1.00 0.00 S ATOM 0 H CYS A 62 -5.498 0.100 -9.439 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.374 -2.617 -9.584 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.058 -0.509 -10.201 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.158 -0.045 -8.514 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.863 -2.566 -7.730 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.990 -1.965 -7.209 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.363 -2.233 -5.829 1.00 0.00 C ATOM 1005 C PHE A 63 -6.781 -3.685 -5.653 1.00 0.00 C ATOM 1006 O PHE A 63 -7.695 -3.991 -4.887 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.493 -1.301 -5.385 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.048 0.105 -5.079 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.805 0.359 -4.515 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.882 1.177 -5.353 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.407 1.650 -4.233 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.488 2.472 -5.071 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.249 2.708 -4.510 1.00 0.00 C ATOM 0 H PHE A 63 -6.775 -1.788 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.490 -2.047 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.251 -1.268 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.968 -1.721 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.141 -0.464 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.852 0.999 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.437 1.832 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.149 3.298 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.939 3.719 -4.288 1.00 0.00 H new ATOM 1023 N LYS A 64 -6.102 -4.579 -6.362 1.00 0.00 N ATOM 1024 CA LYS A 64 -6.402 -6.004 -6.275 1.00 0.00 C ATOM 1025 C LYS A 64 -6.045 -6.541 -4.891 1.00 0.00 C ATOM 1026 O LYS A 64 -5.240 -5.948 -4.173 1.00 0.00 O ATOM 1027 CB LYS A 64 -5.647 -6.782 -7.355 1.00 0.00 C ATOM 1028 CG LYS A 64 -4.137 -6.770 -7.175 1.00 0.00 C ATOM 1029 CD LYS A 64 -3.556 -8.173 -7.255 1.00 0.00 C ATOM 1030 CE LYS A 64 -3.051 -8.489 -8.653 1.00 0.00 C ATOM 1031 NZ LYS A 64 -1.792 -9.284 -8.624 1.00 0.00 N ATOM 0 H LYS A 64 -5.343 -4.344 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.472 -6.138 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.995 -7.815 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.891 -6.362 -8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.683 -6.143 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.888 -6.326 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.738 -8.270 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.317 -8.900 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.816 -9.041 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.880 -7.559 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.573 -9.622 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.013 -8.687 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.910 -10.099 -7.989 1.00 0.00 H new ATOM 1045 N ARG A 65 -6.651 -7.663 -4.522 1.00 0.00 N ATOM 1046 CA ARG A 65 -6.403 -8.278 -3.223 1.00 0.00 C ATOM 1047 C ARG A 65 -6.070 -9.759 -3.367 1.00 0.00 C ATOM 1048 O ARG A 65 -6.309 -10.366 -4.411 1.00 0.00 O ATOM 1049 CB ARG A 65 -7.616 -8.108 -2.295 1.00 0.00 C ATOM 1050 CG ARG A 65 -8.926 -7.825 -3.021 1.00 0.00 C ATOM 1051 CD ARG A 65 -9.282 -8.940 -3.990 1.00 0.00 C ATOM 1052 NE ARG A 65 -10.258 -9.867 -3.421 1.00 0.00 N ATOM 1053 CZ ARG A 65 -11.565 -9.620 -3.355 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -12.057 -8.480 -3.824 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -12.383 -10.516 -2.818 1.00 0.00 N ATOM 0 H ARG A 65 -7.319 -8.167 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.545 -7.770 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.733 -9.013 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.416 -7.292 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.728 -7.706 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.846 -6.883 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.683 -8.509 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.379 -9.486 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.918 -10.755 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.433 -7.787 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.059 -8.297 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.011 -11.394 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.384 -10.327 -2.767 1.00 0.00 H new ATOM 1069 N GLU A 66 -5.519 -10.331 -2.303 1.00 0.00 N ATOM 1070 CA GLU A 66 -5.147 -11.741 -2.286 1.00 0.00 C ATOM 1071 C GLU A 66 -4.575 -12.121 -0.926 1.00 0.00 C ATOM 1072 O GLU A 66 -3.618 -12.891 -0.833 1.00 0.00 O ATOM 1073 CB GLU A 66 -4.126 -12.040 -3.387 1.00 0.00 C ATOM 1074 CG GLU A 66 -4.084 -13.504 -3.795 1.00 0.00 C ATOM 1075 CD GLU A 66 -5.448 -14.041 -4.184 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -6.222 -14.409 -3.277 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -5.741 -14.092 -5.398 1.00 0.00 O ATOM 0 H GLU A 66 -5.319 -9.836 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.042 -12.335 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.360 -11.434 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.136 -11.738 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.398 -13.624 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.686 -14.096 -2.970 1.00 0.00 H new ATOM 1084 N CYS A 67 -5.168 -11.569 0.128 1.00 0.00 N ATOM 1085 CA CYS A 67 -4.721 -11.838 1.489 1.00 0.00 C ATOM 1086 C CYS A 67 -5.795 -11.436 2.497 1.00 0.00 C ATOM 1087 O CYS A 67 -6.919 -11.105 2.121 1.00 0.00 O ATOM 1088 CB CYS A 67 -3.419 -11.084 1.770 1.00 0.00 C ATOM 1089 SG CYS A 67 -2.231 -12.004 2.775 1.00 0.00 S ATOM 0 H CYS A 67 -5.961 -10.931 0.064 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.540 -12.908 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.951 -10.825 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.656 -10.148 2.275 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.164 -11.283 2.954 1.00 0.00 H new ATOM 1095 N ASN A 68 -5.445 -11.468 3.781 1.00 0.00 N ATOM 1096 CA ASN A 68 -6.379 -11.110 4.842 1.00 0.00 C ATOM 1097 C ASN A 68 -7.024 -9.748 4.582 1.00 0.00 C ATOM 1098 O ASN A 68 -8.249 -9.633 4.536 1.00 0.00 O ATOM 1099 CB ASN A 68 -5.652 -11.097 6.190 1.00 0.00 C ATOM 1100 CG ASN A 68 -6.564 -10.718 7.341 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -7.146 -9.634 7.357 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -6.693 -11.615 8.312 1.00 0.00 N ATOM 0 H ASN A 68 -4.519 -11.739 4.111 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.172 -11.858 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.226 -12.082 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.821 -10.394 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.294 -11.417 9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.191 -12.501 8.257 1.00 0.00 H new ATOM 1109 N ASN A 69 -6.197 -8.718 4.420 1.00 0.00 N ATOM 1110 CA ASN A 69 -6.702 -7.371 4.174 1.00 0.00 C ATOM 1111 C ASN A 69 -5.589 -6.434 3.696 1.00 0.00 C ATOM 1112 O ASN A 69 -5.121 -5.582 4.451 1.00 0.00 O ATOM 1113 CB ASN A 69 -7.337 -6.810 5.449 1.00 0.00 C ATOM 1114 CG ASN A 69 -8.529 -5.919 5.158 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -9.668 -6.383 5.110 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -8.272 -4.630 4.965 1.00 0.00 N ATOM 0 H ASN A 69 -5.180 -8.790 4.454 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.453 -7.434 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.651 -7.635 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.590 -6.243 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.035 -3.982 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.312 -4.288 5.014 1.00 0.00 H new ATOM 1123 N LYS A 70 -5.171 -6.587 2.439 1.00 0.00 N ATOM 1124 CA LYS A 70 -4.120 -5.740 1.880 1.00 0.00 C ATOM 1125 C LYS A 70 -4.178 -5.740 0.355 1.00 0.00 C ATOM 1126 O LYS A 70 -4.205 -6.796 -0.277 1.00 0.00 O ATOM 1127 CB LYS A 70 -2.737 -6.209 2.357 1.00 0.00 C ATOM 1128 CG LYS A 70 -2.381 -7.619 1.914 1.00 0.00 C ATOM 1129 CD LYS A 70 -0.939 -7.961 2.255 1.00 0.00 C ATOM 1130 CE LYS A 70 -0.767 -8.222 3.743 1.00 0.00 C ATOM 1131 NZ LYS A 70 -0.657 -6.957 4.521 1.00 0.00 N ATOM 0 H LYS A 70 -5.542 -7.285 1.794 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.284 -4.722 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.981 -5.519 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.703 -6.161 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.049 -8.333 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.534 -7.714 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.629 -8.841 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.287 -7.142 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.614 -8.801 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.126 -8.826 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.163 -7.012 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.534 -6.157 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.522 -6.817 5.081 1.00 0.00 H new ATOM 1145 N LEU A 71 -4.199 -4.545 -0.230 1.00 0.00 N ATOM 1146 CA LEU A 71 -4.255 -4.401 -1.683 1.00 0.00 C ATOM 1147 C LEU A 71 -3.064 -3.593 -2.194 1.00 0.00 C ATOM 1148 O LEU A 71 -3.112 -2.364 -2.245 1.00 0.00 O ATOM 1149 CB LEU A 71 -5.557 -3.713 -2.121 1.00 0.00 C ATOM 1150 CG LEU A 71 -6.710 -3.738 -1.106 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -7.989 -3.217 -1.742 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.920 -5.143 -0.558 1.00 0.00 C ATOM 0 H LEU A 71 -4.178 -3.662 0.280 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.222 -5.403 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.332 -2.673 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.901 -4.184 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.445 -3.086 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.796 -3.241 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.836 -2.192 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.253 -3.844 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.741 -5.135 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.160 -5.821 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.010 -5.480 -0.062 1.00 0.00 H new ATOM 1164 N LEU A 72 -2.000 -4.289 -2.579 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.804 -3.634 -3.094 1.00 0.00 C ATOM 1166 C LEU A 72 0.184 -4.657 -3.655 1.00 0.00 C ATOM 1167 O LEU A 72 1.387 -4.571 -3.409 1.00 0.00 O ATOM 1168 CB LEU A 72 -0.130 -2.800 -2.001 1.00 0.00 C ATOM 1169 CG LEU A 72 0.515 -3.608 -0.870 1.00 0.00 C ATOM 1170 CD1 LEU A 72 1.676 -2.838 -0.260 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.513 -3.957 0.194 1.00 0.00 C ATOM 0 H LEU A 72 -1.942 -5.307 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.111 -2.971 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.635 -2.176 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.872 -2.128 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 72 0.901 -4.537 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.122 -3.427 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.426 -2.642 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.314 -1.892 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.035 -4.531 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.931 -3.041 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.311 -4.550 -0.252 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.330 -5.629 -4.402 1.00 0.00 N ATOM 1184 CA LYS A 73 0.508 -6.675 -4.989 1.00 0.00 C ATOM 1185 C LYS A 73 1.699 -6.089 -5.743 1.00 0.00 C ATOM 1186 O LYS A 73 1.861 -4.871 -5.832 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.322 -7.557 -5.924 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.678 -8.909 -5.323 1.00 0.00 C ATOM 1189 CD LYS A 73 0.565 -9.716 -4.981 1.00 0.00 C ATOM 1190 CE LYS A 73 0.910 -10.706 -6.082 1.00 0.00 C ATOM 1191 NZ LYS A 73 2.177 -10.346 -6.776 1.00 0.00 N ATOM 0 H LYS A 73 -1.323 -5.716 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 73 0.897 -7.282 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.240 -7.032 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.232 -7.714 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.275 -8.762 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.294 -9.469 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.406 -9.041 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.405 -10.252 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.001 -11.705 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.097 -10.741 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.599 -11.200 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.977 -9.656 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.841 -9.930 -6.092 1.00 0.00 H new ATOM 1205 N GLU A 74 2.534 -6.977 -6.275 1.00 0.00 N ATOM 1206 CA GLU A 74 3.727 -6.579 -7.020 1.00 0.00 C ATOM 1207 C GLU A 74 3.417 -5.493 -8.046 1.00 0.00 C ATOM 1208 O GLU A 74 4.281 -4.692 -8.394 1.00 0.00 O ATOM 1209 CB GLU A 74 4.342 -7.794 -7.717 1.00 0.00 C ATOM 1210 CG GLU A 74 5.409 -8.496 -6.892 1.00 0.00 C ATOM 1211 CD GLU A 74 6.599 -7.603 -6.597 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.221 -7.106 -7.558 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.907 -7.400 -5.403 1.00 0.00 O ATOM 0 H GLU A 74 2.405 -7.986 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 74 4.441 -6.169 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.551 -8.506 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.778 -7.476 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.972 -8.835 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.749 -9.384 -7.425 1.00 0.00 H new ATOM 1220 N ASN A 75 2.184 -5.472 -8.522 1.00 0.00 N ATOM 1221 CA ASN A 75 1.761 -4.483 -9.505 1.00 0.00 C ATOM 1222 C ASN A 75 1.718 -3.097 -8.882 1.00 0.00 C ATOM 1223 O ASN A 75 2.116 -2.106 -9.494 1.00 0.00 O ATOM 1224 CB ASN A 75 0.380 -4.843 -10.049 1.00 0.00 C ATOM 1225 CG ASN A 75 0.401 -6.109 -10.882 1.00 0.00 C ATOM 1226 OD1 ASN A 75 1.209 -6.249 -11.801 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.492 -7.041 -10.565 1.00 0.00 N ATOM 0 H ASN A 75 1.455 -6.129 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 75 2.482 -4.480 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.314 -4.969 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.005 -4.018 -10.655 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.526 -7.914 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.143 -6.883 -9.796 1.00 0.00 H new ATOM 1234 N ALA A 76 1.208 -3.057 -7.661 1.00 0.00 N ATOM 1235 CA ALA A 76 1.059 -1.827 -6.892 1.00 0.00 C ATOM 1236 C ALA A 76 2.107 -0.776 -7.220 1.00 0.00 C ATOM 1237 O ALA A 76 3.257 -1.096 -7.518 1.00 0.00 O ATOM 1238 CB ALA A 76 1.069 -2.138 -5.409 1.00 0.00 C ATOM 0 H ALA A 76 0.881 -3.888 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 76 0.098 -1.397 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.957 -1.213 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.244 -2.810 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.013 -2.614 -5.143 1.00 0.00 H new ATOM 1244 N VAL A 77 1.676 0.481 -7.165 1.00 0.00 N ATOM 1245 CA VAL A 77 2.533 1.617 -7.455 1.00 0.00 C ATOM 1246 C VAL A 77 1.793 2.925 -7.131 1.00 0.00 C ATOM 1247 O VAL A 77 0.604 3.051 -7.416 1.00 0.00 O ATOM 1248 CB VAL A 77 2.946 1.604 -8.948 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.220 3.007 -9.480 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.153 0.708 -9.164 1.00 0.00 C ATOM 0 H VAL A 77 0.720 0.737 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 77 3.430 1.550 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 77 2.104 1.201 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.506 2.948 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.321 3.615 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.029 3.461 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.426 0.713 -10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.990 1.076 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.910 -0.309 -8.857 1.00 0.00 H new ATOM 1260 N PRO A 78 2.482 3.918 -6.539 1.00 0.00 N ATOM 1261 CA PRO A 78 1.880 5.208 -6.189 1.00 0.00 C ATOM 1262 C PRO A 78 1.862 6.198 -7.357 1.00 0.00 C ATOM 1263 O PRO A 78 2.017 7.401 -7.155 1.00 0.00 O ATOM 1264 CB PRO A 78 2.791 5.709 -5.086 1.00 0.00 C ATOM 1265 CG PRO A 78 4.137 5.184 -5.451 1.00 0.00 C ATOM 1266 CD PRO A 78 3.907 3.869 -6.154 1.00 0.00 C ATOM 0 HA PRO A 78 0.833 5.106 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.790 6.798 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.473 5.342 -4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.664 5.884 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.754 5.047 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.553 3.763 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.115 3.023 -5.498 1.00 0.00 H new ATOM 1274 N THR A 79 1.689 5.663 -8.571 1.00 0.00 N ATOM 1275 CA THR A 79 1.650 6.440 -9.823 1.00 0.00 C ATOM 1276 C THR A 79 1.713 7.960 -9.627 1.00 0.00 C ATOM 1277 O THR A 79 2.577 8.625 -10.201 1.00 0.00 O ATOM 1278 CB THR A 79 0.386 6.087 -10.607 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.755 6.138 -9.768 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.435 4.711 -11.233 1.00 0.00 C ATOM 0 H THR A 79 1.570 4.661 -8.717 1.00 0.00 H new ATOM 0 HA THR A 79 2.550 6.164 -10.373 1.00 0.00 H new ATOM 0 HB THR A 79 0.324 6.828 -11.404 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.540 6.389 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.493 4.524 -11.774 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.276 4.656 -11.924 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.557 3.960 -10.452 1.00 0.00 H new ATOM 1288 N ILE A 80 0.777 8.509 -8.853 1.00 0.00 N ATOM 1289 CA ILE A 80 0.710 9.944 -8.624 1.00 0.00 C ATOM 1290 C ILE A 80 2.090 10.587 -8.443 1.00 0.00 C ATOM 1291 O ILE A 80 2.341 11.678 -8.956 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.194 10.270 -7.429 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.630 10.280 -7.924 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.162 11.615 -6.799 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.634 10.527 -6.842 1.00 0.00 C ATOM 0 H ILE A 80 0.053 7.974 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 80 0.275 10.376 -9.526 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.057 9.516 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.736 11.049 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.848 9.324 -8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.501 11.809 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.194 11.592 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.047 12.406 -7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.637 10.521 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.555 9.745 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.442 11.496 -6.382 1.00 0.00 H new ATOM 1307 N PHE A 81 2.983 9.913 -7.720 1.00 0.00 N ATOM 1308 CA PHE A 81 4.319 10.434 -7.493 1.00 0.00 C ATOM 1309 C PHE A 81 5.315 9.836 -8.485 1.00 0.00 C ATOM 1310 O PHE A 81 6.403 10.374 -8.687 1.00 0.00 O ATOM 1311 CB PHE A 81 4.782 10.178 -6.052 1.00 0.00 C ATOM 1312 CG PHE A 81 3.838 10.704 -5.010 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.536 10.237 -4.937 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.256 11.658 -4.096 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.669 10.710 -3.977 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.391 12.134 -3.129 1.00 0.00 C ATOM 1317 CZ PHE A 81 2.095 11.659 -3.070 1.00 0.00 C ATOM 0 H PHE A 81 2.801 9.008 -7.285 1.00 0.00 H new ATOM 0 HA PHE A 81 4.280 11.512 -7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.908 9.105 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.760 10.637 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.196 9.493 -5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.268 12.033 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.656 10.338 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.728 12.876 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.417 12.030 -2.316 1.00 0.00 H new ATOM 1327 N LEU A 82 4.931 8.725 -9.109 1.00 0.00 N ATOM 1328 CA LEU A 82 5.781 8.059 -10.087 1.00 0.00 C ATOM 1329 C LEU A 82 5.899 8.906 -11.351 1.00 0.00 C ATOM 1330 O LEU A 82 5.091 9.805 -11.582 1.00 0.00 O ATOM 1331 CB LEU A 82 5.201 6.683 -10.429 1.00 0.00 C ATOM 1332 CG LEU A 82 6.061 5.818 -11.354 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.329 5.374 -10.642 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.270 4.613 -11.838 1.00 0.00 C ATOM 0 H LEU A 82 4.033 8.267 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 82 6.776 7.931 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.034 6.137 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.226 6.824 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 82 6.346 6.415 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.928 4.760 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.904 6.250 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.066 4.793 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.895 4.008 -12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.957 4.015 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.390 4.951 -12.385 1.00 0.00 H new ATOM 1346 N GLU A 83 6.910 8.617 -12.167 1.00 0.00 N ATOM 1347 CA GLU A 83 7.129 9.357 -13.408 1.00 0.00 C ATOM 1348 C GLU A 83 5.842 9.453 -14.226 1.00 0.00 C ATOM 1349 O GLU A 83 5.633 10.417 -14.962 1.00 0.00 O ATOM 1350 CB GLU A 83 8.226 8.688 -14.239 1.00 0.00 C ATOM 1351 CG GLU A 83 8.532 9.413 -15.539 1.00 0.00 C ATOM 1352 CD GLU A 83 8.796 8.462 -16.689 1.00 0.00 C ATOM 1353 OE1 GLU A 83 9.327 7.359 -16.436 1.00 0.00 O ATOM 1354 OE2 GLU A 83 8.472 8.818 -17.841 1.00 0.00 O ATOM 0 H GLU A 83 7.590 7.877 -11.992 1.00 0.00 H new ATOM 0 HA GLU A 83 7.445 10.367 -13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.137 8.629 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.926 7.665 -14.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.695 10.062 -15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.401 10.055 -15.397 1.00 0.00 H new ATOM 1361 N LEU A 84 4.982 8.446 -14.091 1.00 0.00 N ATOM 1362 CA LEU A 84 3.715 8.418 -14.817 1.00 0.00 C ATOM 1363 C LEU A 84 2.900 9.678 -14.542 1.00 0.00 C ATOM 1364 O LEU A 84 2.148 9.743 -13.569 1.00 0.00 O ATOM 1365 CB LEU A 84 2.907 7.180 -14.421 1.00 0.00 C ATOM 1366 CG LEU A 84 1.918 6.682 -15.478 1.00 0.00 C ATOM 1367 CD1 LEU A 84 1.068 5.551 -14.922 1.00 0.00 C ATOM 1368 CD2 LEU A 84 1.037 7.823 -15.964 1.00 0.00 C ATOM 0 H LEU A 84 5.139 7.640 -13.486 1.00 0.00 H new ATOM 0 HA LEU A 84 3.937 8.377 -15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.601 6.373 -14.187 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.356 7.402 -13.507 1.00 0.00 H new ATOM 0 HG LEU A 84 2.485 6.300 -16.327 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.371 5.210 -15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.713 4.724 -14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.510 5.907 -14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.340 7.450 -16.715 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.478 8.235 -15.123 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.660 8.603 -16.402 1.00 0.00 H new ATOM 1380 N VAL A 85 3.053 10.678 -15.405 1.00 0.00 N ATOM 1381 CA VAL A 85 2.333 11.937 -15.255 1.00 0.00 C ATOM 1382 C VAL A 85 1.702 12.371 -16.576 1.00 0.00 C ATOM 1383 O VAL A 85 2.352 13.013 -17.402 1.00 0.00 O ATOM 1384 CB VAL A 85 3.262 13.057 -14.751 1.00 0.00 C ATOM 1385 CG1 VAL A 85 2.461 14.307 -14.419 1.00 0.00 C ATOM 1386 CG2 VAL A 85 4.058 12.588 -13.541 1.00 0.00 C ATOM 0 H VAL A 85 3.670 10.640 -16.216 1.00 0.00 H new ATOM 0 HA VAL A 85 1.547 11.767 -14.519 1.00 0.00 H new ATOM 0 HB VAL A 85 3.966 13.305 -15.546 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.135 15.087 -14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.942 14.654 -15.312 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.732 14.076 -13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.709 13.393 -13.199 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.373 12.310 -12.740 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.663 11.724 -13.816 1.00 0.00 H new ATOM 1396 N PRO A 86 0.420 12.028 -16.795 1.00 0.00 N ATOM 1397 CA PRO A 86 -0.309 12.383 -18.020 1.00 0.00 C ATOM 1398 C PRO A 86 -0.380 13.890 -18.240 1.00 0.00 C ATOM 1399 O PRO A 86 0.230 14.664 -17.501 1.00 0.00 O ATOM 1400 CB PRO A 86 -1.704 11.807 -17.751 1.00 0.00 C ATOM 1401 CG PRO A 86 -1.441 10.688 -16.820 1.00 0.00 C ATOM 1402 CD PRO A 86 -0.442 11.265 -15.877 1.00 0.00 C ATOM 0 HA PRO A 86 0.170 11.997 -18.920 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.367 12.550 -17.308 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.180 11.462 -18.669 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.347 10.371 -16.304 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.048 9.814 -17.340 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.908 11.903 -15.126 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.111 10.493 -15.342 1.00 0.00 H new ATOM 1410 N ARG A 87 -1.128 14.303 -19.257 1.00 0.00 N ATOM 1411 CA ARG A 87 -1.276 15.718 -19.571 1.00 0.00 C ATOM 1412 C ARG A 87 -2.588 16.265 -19.014 1.00 0.00 C ATOM 1413 O ARG A 87 -3.633 15.611 -19.215 1.00 0.00 O ATOM 1414 CB ARG A 87 -1.219 15.936 -21.084 1.00 0.00 C ATOM 1415 CG ARG A 87 -2.385 15.311 -21.835 1.00 0.00 C ATOM 1416 CD ARG A 87 -2.180 15.375 -23.341 1.00 0.00 C ATOM 1417 NE ARG A 87 -3.241 16.128 -24.006 1.00 0.00 N ATOM 1418 CZ ARG A 87 -3.268 17.456 -24.094 1.00 0.00 C ATOM 1419 NH1 ARG A 87 -2.293 18.184 -23.561 1.00 0.00 N ATOM 1420 NH2 ARG A 87 -4.270 18.059 -24.717 1.00 0.00 N ATOM 1421 OXT ARG A 87 -2.559 17.342 -18.383 1.00 0.00 O ATOM 0 H ARG A 87 -1.641 13.677 -19.878 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.452 16.256 -19.103 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.199 17.007 -21.288 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.287 15.521 -21.467 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.502 14.272 -21.527 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.308 15.828 -21.571 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.217 15.838 -23.556 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.145 14.363 -23.746 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.008 15.604 -24.428 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.518 17.726 -23.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.319 19.201 -23.632 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.021 17.506 -25.129 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.290 19.077 -24.784 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.027 9.737 1.166 1.00 0.00 ZN