USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 98 HEC HAB : A 98 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAC : A 128 HEC CAC : A 52 CYS SG :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= -4! C(o=-3.8!,f=-3.5!) USER MOD Set 1.2: A 158 HEC O2A : rot 27:sc= 0.176 USER MOD Set 1.3: A 158 HEC O2D : rot 170:sc= 0 USER MOD Set 2.1: A 6 TYR OH : rot 89:sc= 0.64 USER MOD Set 2.2: A 98 HEC O2D : rot 170:sc= 0.575 USER MOD Set 3.1: A 57 ASN : amide:sc= -2.59 K(o=-2.6,f=-8.2!) USER MOD Set 3.2: A 128 HEC O2D : rot 170:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot -55:sc= 0.242 USER MOD Set 4.2: A 14 THR OG1 : rot 175:sc= 0.0552 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.165 (180deg=0) 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 : amide:sc= -0.938 K(o=-0.94,f=-6.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -35:sc= -33.6! USER MOD Single : A 33 THR OG1 : rot -9:sc= 0.475! 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+ -133:sc= -0.0253 (180deg=-0.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 14:sc= -19.3! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 53:sc= 0.853 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0383) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc=-0.00201 X(o=-0.002,f=-0.0039) USER MOD Single : A 60 THR OG1 : rot -49:sc= 1.07 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -70:sc= -22.5! USER MOD Single : A 65 CYS SG : rot -6:sc= -27.1! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.351 -7.679 8.623 1.00 10.00 N ATOM 2 CA ALA A 1 3.250 -6.911 9.466 1.00 10.00 C ATOM 3 C ALA A 1 4.687 -7.093 8.973 1.00 10.00 C ATOM 4 O ALA A 1 4.947 -7.922 8.102 1.00 10.00 O ATOM 5 CB ALA A 1 3.076 -7.341 10.924 1.00 10.00 C ATOM 0 H1 ALA A 1 1.718 -7.032 8.110 1.00 10.00 H new ATOM 0 H2 ALA A 1 2.905 -8.235 7.941 1.00 10.00 H new ATOM 0 H3 ALA A 1 1.785 -8.321 9.214 1.00 10.00 H new ATOM 0 HA ALA A 1 3.014 -5.848 9.409 1.00 10.00 H new ATOM 0 HB1 ALA A 1 3.751 -6.764 11.556 1.00 10.00 H new ATOM 0 HB2 ALA A 1 2.047 -7.163 11.235 1.00 10.00 H new ATOM 0 HB3 ALA A 1 3.306 -8.402 11.020 1.00 10.00 H new ATOM 11 N ASP A 2 5.582 -6.304 9.550 1.00 10.00 N ATOM 12 CA ASP A 2 6.985 -6.368 9.180 1.00 10.00 C ATOM 13 C ASP A 2 7.101 -6.548 7.665 1.00 10.00 C ATOM 14 O ASP A 2 8.063 -7.140 7.178 1.00 10.00 O ATOM 15 CB ASP A 2 7.679 -7.556 9.851 1.00 10.00 C ATOM 16 CG ASP A 2 8.736 -7.183 10.891 1.00 10.00 C ATOM 17 OD1 ASP A 2 8.691 -6.024 11.355 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.565 -8.067 11.199 1.00 10.00 O ATOM 0 H ASP A 2 5.362 -5.617 10.271 1.00 10.00 H new ATOM 0 HA ASP A 2 7.461 -5.442 9.504 1.00 10.00 H new ATOM 0 HB2 ASP A 2 6.922 -8.176 10.331 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.149 -8.166 9.080 1.00 10.00 H new ATOM 23 N VAL A 3 6.106 -6.027 6.962 1.00 10.00 N ATOM 24 CA VAL A 3 6.085 -6.123 5.512 1.00 10.00 C ATOM 25 C VAL A 3 5.761 -7.562 5.104 1.00 10.00 C ATOM 26 O VAL A 3 6.170 -8.508 5.777 1.00 10.00 O ATOM 27 CB VAL A 3 7.408 -5.621 4.934 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.106 -4.669 5.908 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.323 -6.791 4.562 1.00 10.00 C ATOM 0 H VAL A 3 5.309 -5.537 7.369 1.00 10.00 H new ATOM 0 HA VAL A 3 5.304 -5.485 5.099 1.00 10.00 H new ATOM 0 HB VAL A 3 7.186 -5.065 4.023 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.045 -4.327 5.472 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.462 -3.811 6.103 1.00 10.00 H new ATOM 0 HG13 VAL A 3 8.309 -5.190 6.844 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.257 -6.406 4.153 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.533 -7.385 5.451 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.831 -7.415 3.816 1.00 10.00 H new ATOM 39 N VAL A 4 5.031 -7.683 4.006 1.00 10.00 N ATOM 40 CA VAL A 4 4.649 -8.991 3.501 1.00 10.00 C ATOM 41 C VAL A 4 4.958 -9.065 2.004 1.00 10.00 C ATOM 42 O VAL A 4 4.934 -8.050 1.310 1.00 10.00 O ATOM 43 CB VAL A 4 3.178 -9.266 3.822 1.00 10.00 C ATOM 44 CG1 VAL A 4 2.805 -10.711 3.485 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.868 -8.946 5.286 1.00 10.00 C ATOM 0 H VAL A 4 4.693 -6.897 3.451 1.00 10.00 H new ATOM 0 HA VAL A 4 5.227 -9.774 3.991 1.00 10.00 H new ATOM 0 HB VAL A 4 2.570 -8.609 3.200 1.00 10.00 H new ATOM 0 HG11 VAL A 4 1.755 -10.880 3.722 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.971 -10.891 2.423 1.00 10.00 H new ATOM 0 HG13 VAL A 4 3.424 -11.392 4.069 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.817 -9.150 5.488 1.00 10.00 H new ATOM 0 HG22 VAL A 4 3.489 -9.566 5.933 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.078 -7.894 5.481 1.00 10.00 H new ATOM 55 N THR A 5 5.241 -10.277 1.551 1.00 10.00 N ATOM 56 CA THR A 5 5.555 -10.497 0.149 1.00 10.00 C ATOM 57 C THR A 5 4.481 -11.367 -0.507 1.00 10.00 C ATOM 58 O THR A 5 4.237 -12.492 -0.074 1.00 10.00 O ATOM 59 CB THR A 5 6.958 -11.102 0.068 1.00 10.00 C ATOM 60 OG1 THR A 5 7.825 -10.005 0.343 1.00 10.00 O ATOM 61 CG2 THR A 5 7.332 -11.524 -1.354 1.00 10.00 C ATOM 0 H THR A 5 5.260 -11.117 2.129 1.00 10.00 H new ATOM 0 HA THR A 5 5.556 -9.560 -0.408 1.00 10.00 H new ATOM 0 HB THR A 5 7.020 -11.965 0.731 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.637 -9.274 -0.282 1.00 10.00 H new ATOM 0 HG21 THR A 5 8.337 -11.947 -1.356 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.623 -12.272 -1.710 1.00 10.00 H new ATOM 0 HG23 THR A 5 7.303 -10.655 -2.011 1.00 10.00 H new ATOM 69 N TYR A 6 3.866 -10.812 -1.542 1.00 10.00 N ATOM 70 CA TYR A 6 2.824 -11.522 -2.263 1.00 10.00 C ATOM 71 C TYR A 6 3.296 -11.914 -3.665 1.00 10.00 C ATOM 72 O TYR A 6 4.125 -11.227 -4.258 1.00 10.00 O ATOM 73 CB TYR A 6 1.654 -10.544 -2.385 1.00 10.00 C ATOM 74 CG TYR A 6 0.748 -10.499 -1.154 1.00 10.00 C ATOM 75 CD1 TYR A 6 1.260 -10.098 0.064 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.579 -10.859 -1.260 1.00 10.00 C ATOM 77 CE1 TYR A 6 0.408 -10.054 1.224 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.432 -10.816 -0.100 1.00 10.00 C ATOM 79 CZ TYR A 6 -0.896 -10.416 1.085 1.00 10.00 C ATOM 80 OH TYR A 6 -1.701 -10.375 2.180 1.00 10.00 O ATOM 0 H TYR A 6 4.070 -9.878 -1.898 1.00 10.00 H new ATOM 0 HA TYR A 6 2.550 -12.437 -1.739 1.00 10.00 H new ATOM 0 HB2 TYR A 6 2.048 -9.545 -2.570 1.00 10.00 H new ATOM 0 HB3 TYR A 6 1.055 -10.817 -3.254 1.00 10.00 H new ATOM 0 HD1 TYR A 6 2.300 -9.817 0.147 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.979 -11.173 -2.213 1.00 10.00 H new ATOM 0 HE1 TYR A 6 0.795 -9.741 2.182 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.473 -11.095 -0.169 1.00 10.00 H new ATOM 0 HH TYR A 6 -2.109 -9.487 2.253 1.00 10.00 H new ATOM 90 N GLU A 7 2.746 -13.016 -4.153 1.00 10.00 N ATOM 91 CA GLU A 7 3.100 -13.507 -5.473 1.00 10.00 C ATOM 92 C GLU A 7 1.871 -13.515 -6.384 1.00 10.00 C ATOM 93 O GLU A 7 0.831 -14.066 -6.025 1.00 10.00 O ATOM 94 CB GLU A 7 3.729 -14.901 -5.391 1.00 10.00 C ATOM 95 CG GLU A 7 5.089 -14.847 -4.694 1.00 10.00 C ATOM 96 CD GLU A 7 5.962 -16.037 -5.101 1.00 10.00 C ATOM 97 OE1 GLU A 7 5.490 -17.178 -4.905 1.00 10.00 O ATOM 98 OE2 GLU A 7 7.078 -15.778 -5.599 1.00 10.00 O ATOM 0 H GLU A 7 2.058 -13.583 -3.658 1.00 10.00 H new ATOM 0 HA GLU A 7 3.842 -12.834 -5.901 1.00 10.00 H new ATOM 0 HB2 GLU A 7 3.064 -15.573 -4.848 1.00 10.00 H new ATOM 0 HB3 GLU A 7 3.846 -15.311 -6.394 1.00 10.00 H new ATOM 0 HG2 GLU A 7 5.595 -13.916 -4.949 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.948 -14.848 -3.613 1.00 10.00 H new ATOM 105 N ASN A 8 2.030 -12.896 -7.545 1.00 10.00 N ATOM 106 CA ASN A 8 0.946 -12.824 -8.509 1.00 10.00 C ATOM 107 C ASN A 8 1.463 -13.252 -9.884 1.00 10.00 C ATOM 108 O ASN A 8 2.638 -13.584 -10.034 1.00 10.00 O ATOM 109 CB ASN A 8 0.410 -11.396 -8.630 1.00 10.00 C ATOM 110 CG ASN A 8 -0.268 -10.953 -7.332 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.238 -11.536 -6.878 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.296 -9.892 -6.761 1.00 10.00 N ATOM 0 H ASN A 8 2.894 -12.440 -7.839 1.00 10.00 H new ATOM 0 HA ASN A 8 0.147 -13.482 -8.167 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.228 -10.716 -8.868 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.302 -11.339 -9.454 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.083 -9.520 -5.890 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.107 -9.451 -7.194 1.00 10.00 H new ATOM 119 N LYS A 9 0.560 -13.231 -10.853 1.00 10.00 N ATOM 120 CA LYS A 9 0.910 -13.614 -12.211 1.00 10.00 C ATOM 121 C LYS A 9 1.206 -12.356 -13.030 1.00 10.00 C ATOM 122 O LYS A 9 1.097 -12.368 -14.256 1.00 10.00 O ATOM 123 CB LYS A 9 -0.180 -14.500 -12.816 1.00 10.00 C ATOM 124 CG LYS A 9 0.216 -15.977 -12.753 1.00 10.00 C ATOM 125 CD LYS A 9 0.435 -16.546 -14.155 1.00 10.00 C ATOM 126 CE LYS A 9 -0.358 -17.841 -14.351 1.00 10.00 C ATOM 127 NZ LYS A 9 0.549 -19.010 -14.346 1.00 10.00 N ATOM 0 H LYS A 9 -0.414 -12.955 -10.725 1.00 10.00 H new ATOM 0 HA LYS A 9 1.817 -14.218 -12.215 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.117 -14.348 -12.280 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -0.355 -14.211 -13.852 1.00 10.00 H new ATOM 0 HG2 LYS A 9 1.127 -16.088 -12.165 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -0.563 -16.545 -12.244 1.00 10.00 H new ATOM 0 HD2 LYS A 9 0.130 -15.812 -14.901 1.00 10.00 H new ATOM 0 HD3 LYS A 9 1.496 -16.738 -14.312 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -1.098 -17.944 -13.558 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -0.904 -17.801 -15.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.005 -19.880 -14.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.240 -18.917 -15.118 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 1.051 -19.056 -13.436 1.00 10.00 H new ATOM 141 N LYS A 10 1.574 -11.299 -12.321 1.00 10.00 N ATOM 142 CA LYS A 10 1.886 -10.035 -12.966 1.00 10.00 C ATOM 143 C LYS A 10 3.298 -9.599 -12.569 1.00 10.00 C ATOM 144 O LYS A 10 4.243 -9.768 -13.337 1.00 10.00 O ATOM 145 CB LYS A 10 0.809 -8.995 -12.655 1.00 10.00 C ATOM 146 CG LYS A 10 0.350 -8.282 -13.929 1.00 10.00 C ATOM 147 CD LYS A 10 -0.765 -9.067 -14.624 1.00 10.00 C ATOM 148 CE LYS A 10 -0.310 -9.570 -15.995 1.00 10.00 C ATOM 149 NZ LYS A 10 -1.419 -10.263 -16.688 1.00 10.00 N ATOM 0 H LYS A 10 1.663 -11.292 -11.305 1.00 10.00 H new ATOM 0 HA LYS A 10 1.882 -10.149 -14.050 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.043 -9.480 -12.179 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.198 -8.265 -11.945 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.004 -7.281 -13.683 1.00 10.00 H new ATOM 0 HG3 LYS A 10 1.194 -8.163 -14.608 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.061 -9.912 -14.003 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.644 -8.433 -14.739 1.00 10.00 H new ATOM 0 HE2 LYS A 10 0.037 -8.732 -16.599 1.00 10.00 H new ATOM 0 HE3 LYS A 10 0.534 -10.249 -15.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -1.093 -10.598 -17.617 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -1.732 -11.075 -16.118 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -2.213 -9.604 -16.817 1.00 10.00 H new ATOM 163 N GLY A 11 3.395 -9.045 -11.369 1.00 10.00 N ATOM 164 CA GLY A 11 4.674 -8.582 -10.861 1.00 10.00 C ATOM 165 C GLY A 11 4.631 -8.415 -9.340 1.00 10.00 C ATOM 166 O GLY A 11 5.229 -7.486 -8.798 1.00 10.00 O ATOM 0 H GLY A 11 2.608 -8.907 -10.734 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.455 -9.293 -11.131 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.932 -7.632 -11.328 1.00 10.00 H new ATOM 170 N ASN A 12 3.920 -9.327 -8.696 1.00 10.00 N ATOM 171 CA ASN A 12 3.791 -9.292 -7.249 1.00 10.00 C ATOM 172 C ASN A 12 3.442 -7.869 -6.807 1.00 10.00 C ATOM 173 O ASN A 12 3.191 -7.000 -7.641 1.00 10.00 O ATOM 174 CB ASN A 12 5.104 -9.689 -6.570 1.00 10.00 C ATOM 175 CG ASN A 12 5.516 -11.109 -6.961 1.00 10.00 C ATOM 176 OD1 ASN A 12 4.811 -11.818 -7.660 1.00 10.00 O ATOM 177 ND2 ASN A 12 6.695 -11.484 -6.474 1.00 10.00 N ATOM 0 H ASN A 12 3.426 -10.096 -9.149 1.00 10.00 H new ATOM 0 HA ASN A 12 3.009 -9.995 -6.962 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.890 -8.988 -6.852 1.00 10.00 H new ATOM 0 HB3 ASN A 12 4.992 -9.624 -5.488 1.00 10.00 H new ATOM 0 HD21 ASN A 12 7.059 -12.414 -6.680 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.235 -10.841 -5.895 1.00 10.00 H new ATOM 184 N VAL A 13 3.436 -7.676 -5.496 1.00 10.00 N ATOM 185 CA VAL A 13 3.121 -6.374 -4.934 1.00 10.00 C ATOM 186 C VAL A 13 3.451 -6.375 -3.440 1.00 10.00 C ATOM 187 O VAL A 13 2.566 -6.198 -2.604 1.00 10.00 O ATOM 188 CB VAL A 13 1.661 -6.018 -5.223 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.747 -7.222 -4.984 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.215 -4.817 -4.388 1.00 10.00 C ATOM 0 H VAL A 13 3.644 -8.399 -4.807 1.00 10.00 H new ATOM 0 HA VAL A 13 3.729 -5.599 -5.401 1.00 10.00 H new ATOM 0 HB VAL A 13 1.584 -5.742 -6.275 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.285 -6.943 -5.196 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.044 -8.040 -5.640 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.830 -7.541 -3.945 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.174 -4.584 -4.612 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.314 -5.054 -3.329 1.00 10.00 H new ATOM 0 HG23 VAL A 13 1.839 -3.956 -4.627 1.00 10.00 H new ATOM 200 N THR A 14 4.728 -6.578 -3.149 1.00 10.00 N ATOM 201 CA THR A 14 5.186 -6.605 -1.770 1.00 10.00 C ATOM 202 C THR A 14 4.734 -5.343 -1.033 1.00 10.00 C ATOM 203 O THR A 14 4.829 -4.239 -1.569 1.00 10.00 O ATOM 204 CB THR A 14 6.705 -6.791 -1.780 1.00 10.00 C ATOM 205 OG1 THR A 14 6.881 -8.195 -1.953 1.00 10.00 O ATOM 206 CG2 THR A 14 7.340 -6.502 -0.419 1.00 10.00 C ATOM 0 H THR A 14 5.459 -6.725 -3.844 1.00 10.00 H new ATOM 0 HA THR A 14 4.745 -7.439 -1.223 1.00 10.00 H new ATOM 0 HB THR A 14 7.145 -6.137 -2.532 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.835 -8.395 -2.052 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.418 -6.649 -0.482 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.130 -5.472 -0.131 1.00 10.00 H new ATOM 0 HG23 THR A 14 6.924 -7.179 0.327 1.00 10.00 H new ATOM 214 N PHE A 15 4.253 -5.547 0.184 1.00 10.00 N ATOM 215 CA PHE A 15 3.786 -4.439 1.000 1.00 10.00 C ATOM 216 C PHE A 15 4.852 -4.017 2.013 1.00 10.00 C ATOM 217 O PHE A 15 5.979 -4.508 1.975 1.00 10.00 O ATOM 218 CB PHE A 15 2.549 -4.930 1.755 1.00 10.00 C ATOM 219 CG PHE A 15 1.403 -5.378 0.846 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.371 -6.651 0.368 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.415 -4.504 0.515 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.308 -7.067 -0.476 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.649 -4.920 -0.327 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.680 -6.193 -0.805 1.00 10.00 C ATOM 0 H PHE A 15 4.176 -6.463 0.625 1.00 10.00 H new ATOM 0 HA PHE A 15 3.563 -3.580 0.368 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.835 -5.762 2.399 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.192 -4.132 2.406 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.155 -7.346 0.631 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.440 -3.493 0.893 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.284 -8.077 -0.857 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.434 -4.226 -0.588 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.490 -6.510 -1.446 1.00 10.00 H new ATOM 234 N ASP A 16 4.459 -3.110 2.895 1.00 10.00 N ATOM 235 CA ASP A 16 5.367 -2.615 3.916 1.00 10.00 C ATOM 236 C ASP A 16 4.562 -2.201 5.150 1.00 10.00 C ATOM 237 O ASP A 16 3.764 -1.268 5.090 1.00 10.00 O ATOM 238 CB ASP A 16 6.138 -1.391 3.421 1.00 10.00 C ATOM 239 CG ASP A 16 6.159 -1.210 1.902 1.00 10.00 C ATOM 240 OD1 ASP A 16 5.065 -1.306 1.305 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.268 -0.979 1.373 1.00 10.00 O ATOM 0 H ASP A 16 3.523 -2.705 2.924 1.00 10.00 H new ATOM 0 HA ASP A 16 6.072 -3.411 4.156 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.702 -0.499 3.872 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.166 -1.459 3.778 1.00 10.00 H new ATOM 246 N HIS A 17 4.801 -2.915 6.240 1.00 10.00 N ATOM 247 CA HIS A 17 4.109 -2.633 7.486 1.00 10.00 C ATOM 248 C HIS A 17 5.043 -1.877 8.433 1.00 10.00 C ATOM 249 O HIS A 17 4.650 -0.879 9.033 1.00 10.00 O ATOM 250 CB HIS A 17 3.553 -3.918 8.103 1.00 10.00 C ATOM 251 CG HIS A 17 2.119 -3.810 8.561 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.745 -3.936 9.887 1.00 10.00 N ATOM 253 CD2 HIS A 17 0.973 -3.585 7.857 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.430 -3.793 9.967 1.00 10.00 C ATOM 255 NE2 HIS A 17 -0.047 -3.576 8.707 1.00 10.00 N ATOM 0 H HIS A 17 5.464 -3.688 6.286 1.00 10.00 H new ATOM 0 HA HIS A 17 3.250 -1.992 7.290 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.630 -4.723 7.372 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.175 -4.199 8.953 1.00 10.00 H new ATOM 0 HD1 HIS A 17 2.375 -4.110 10.670 1.00 10.00 H new ATOM 0 HD2 HIS A 17 0.906 -3.439 6.789 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.160 -3.840 10.870 1.00 10.00 H new ATOM 263 N LYS A 18 6.264 -2.382 8.536 1.00 10.00 N ATOM 264 CA LYS A 18 7.258 -1.767 9.399 1.00 10.00 C ATOM 265 C LYS A 18 8.012 -0.691 8.616 1.00 10.00 C ATOM 266 O LYS A 18 8.373 0.347 9.168 1.00 10.00 O ATOM 267 CB LYS A 18 8.168 -2.833 10.012 1.00 10.00 C ATOM 268 CG LYS A 18 9.279 -2.192 10.846 1.00 10.00 C ATOM 269 CD LYS A 18 9.212 -2.657 12.301 1.00 10.00 C ATOM 270 CE LYS A 18 10.347 -2.046 13.126 1.00 10.00 C ATOM 271 NZ LYS A 18 10.023 -2.094 14.569 1.00 10.00 N ATOM 0 H LYS A 18 6.587 -3.210 8.036 1.00 10.00 H new ATOM 0 HA LYS A 18 6.776 -1.270 10.241 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.579 -3.503 10.638 1.00 10.00 H new ATOM 0 HB3 LYS A 18 8.607 -3.440 9.220 1.00 10.00 H new ATOM 0 HG2 LYS A 18 10.250 -2.449 10.423 1.00 10.00 H new ATOM 0 HG3 LYS A 18 9.190 -1.106 10.803 1.00 10.00 H new ATOM 0 HD2 LYS A 18 8.252 -2.375 12.733 1.00 10.00 H new ATOM 0 HD3 LYS A 18 9.273 -3.745 12.342 1.00 10.00 H new ATOM 0 HE2 LYS A 18 11.274 -2.588 12.937 1.00 10.00 H new ATOM 0 HE3 LYS A 18 10.513 -1.013 12.819 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 10.804 -1.675 15.114 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 9.150 -1.558 14.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 9.888 -3.083 14.862 1.00 10.00 H new ATOM 285 N ALA A 19 8.228 -0.975 7.340 1.00 10.00 N ATOM 286 CA ALA A 19 8.933 -0.045 6.474 1.00 10.00 C ATOM 287 C ALA A 19 8.098 1.226 6.312 1.00 10.00 C ATOM 288 O ALA A 19 8.644 2.324 6.213 1.00 10.00 O ATOM 289 CB ALA A 19 9.234 -0.721 5.135 1.00 10.00 C ATOM 0 H ALA A 19 7.927 -1.837 6.885 1.00 10.00 H new ATOM 0 HA ALA A 19 9.888 0.242 6.915 1.00 10.00 H new ATOM 0 HB1 ALA A 19 9.763 -0.023 4.486 1.00 10.00 H new ATOM 0 HB2 ALA A 19 9.854 -1.601 5.303 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.300 -1.021 4.661 1.00 10.00 H new ATOM 295 N HIS A 20 6.787 1.035 6.288 1.00 10.00 N ATOM 296 CA HIS A 20 5.870 2.153 6.139 1.00 10.00 C ATOM 297 C HIS A 20 5.706 2.865 7.482 1.00 10.00 C ATOM 298 O HIS A 20 6.063 4.034 7.617 1.00 10.00 O ATOM 299 CB HIS A 20 4.538 1.688 5.547 1.00 10.00 C ATOM 300 CG HIS A 20 4.522 1.635 4.038 1.00 10.00 C ATOM 301 ND1 HIS A 20 3.820 0.676 3.328 1.00 10.00 N ATOM 302 CD2 HIS A 20 5.127 2.432 3.111 1.00 10.00 C ATOM 303 CE1 HIS A 20 4.002 0.895 2.034 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.813 1.984 1.902 1.00 10.00 N ATOM 0 H HIS A 20 6.338 0.123 6.369 1.00 10.00 H new ATOM 0 HA HIS A 20 6.282 2.874 5.433 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.305 0.698 5.938 1.00 10.00 H new ATOM 0 HB3 HIS A 20 3.748 2.358 5.885 1.00 10.00 H new ATOM 0 HD1 HIS A 20 3.258 -0.073 3.733 1.00 10.00 H new ATOM 0 HD2 HIS A 20 5.755 3.284 3.325 1.00 10.00 H new ATOM 0 HE1 HIS A 20 3.582 0.314 1.226 1.00 10.00 H new ATOM 312 N ALA A 21 5.164 2.130 8.443 1.00 10.00 N ATOM 313 CA ALA A 21 4.947 2.676 9.771 1.00 10.00 C ATOM 314 C ALA A 21 6.128 3.572 10.149 1.00 10.00 C ATOM 315 O ALA A 21 5.965 4.547 10.881 1.00 10.00 O ATOM 316 CB ALA A 21 4.742 1.533 10.767 1.00 10.00 C ATOM 0 H ALA A 21 4.869 1.161 8.327 1.00 10.00 H new ATOM 0 HA ALA A 21 4.047 3.290 9.790 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.579 1.944 11.764 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.874 0.944 10.471 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.627 0.896 10.777 1.00 10.00 H new ATOM 322 N GLU A 22 7.294 3.211 9.631 1.00 10.00 N ATOM 323 CA GLU A 22 8.502 3.970 9.904 1.00 10.00 C ATOM 324 C GLU A 22 8.279 5.452 9.596 1.00 10.00 C ATOM 325 O GLU A 22 8.483 6.306 10.457 1.00 10.00 O ATOM 326 CB GLU A 22 9.687 3.417 9.111 1.00 10.00 C ATOM 327 CG GLU A 22 10.197 2.111 9.724 1.00 10.00 C ATOM 328 CD GLU A 22 11.556 2.314 10.397 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.565 2.277 9.660 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.554 2.501 11.632 1.00 10.00 O ATOM 0 H GLU A 22 7.427 2.402 9.024 1.00 10.00 H new ATOM 0 HA GLU A 22 8.738 3.871 10.963 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.388 3.245 8.077 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.491 4.152 9.092 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.477 1.743 10.455 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.282 1.350 8.948 1.00 10.00 H new ATOM 337 N LYS A 23 7.864 5.711 8.365 1.00 10.00 N ATOM 338 CA LYS A 23 7.611 7.075 7.932 1.00 10.00 C ATOM 339 C LYS A 23 6.151 7.434 8.217 1.00 10.00 C ATOM 340 O LYS A 23 5.855 8.544 8.656 1.00 10.00 O ATOM 341 CB LYS A 23 8.014 7.256 6.468 1.00 10.00 C ATOM 342 CG LYS A 23 9.523 7.467 6.337 1.00 10.00 C ATOM 343 CD LYS A 23 9.836 8.852 5.763 1.00 10.00 C ATOM 344 CE LYS A 23 10.908 9.559 6.594 1.00 10.00 C ATOM 345 NZ LYS A 23 11.866 10.264 5.713 1.00 10.00 N ATOM 0 H LYS A 23 7.697 5.000 7.653 1.00 10.00 H new ATOM 0 HA LYS A 23 8.228 7.774 8.497 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.715 6.379 5.894 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.486 8.110 6.045 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.995 7.359 7.314 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.947 6.698 5.691 1.00 10.00 H new ATOM 0 HD2 LYS A 23 10.176 8.754 4.732 1.00 10.00 H new ATOM 0 HD3 LYS A 23 8.929 9.455 5.744 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.439 10.270 7.274 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.438 8.832 7.209 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.587 10.738 6.293 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 12.326 9.578 5.081 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.359 10.972 5.144 1.00 10.00 H new ATOM 359 N LEU A 24 5.277 6.473 7.955 1.00 10.00 N ATOM 360 CA LEU A 24 3.855 6.673 8.178 1.00 10.00 C ATOM 361 C LEU A 24 3.587 6.764 9.682 1.00 10.00 C ATOM 362 O LEU A 24 4.107 7.654 10.355 1.00 10.00 O ATOM 363 CB LEU A 24 3.043 5.583 7.474 1.00 10.00 C ATOM 364 CG LEU A 24 3.091 5.595 5.945 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.483 5.216 5.436 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.001 4.696 5.356 1.00 10.00 C ATOM 0 H LEU A 24 5.526 5.554 7.590 1.00 10.00 H new ATOM 0 HA LEU A 24 3.530 7.615 7.738 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.397 4.612 7.821 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.003 5.674 7.786 1.00 10.00 H new ATOM 0 HG LEU A 24 2.890 6.611 5.605 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.489 5.232 4.346 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.215 5.930 5.814 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.738 4.215 5.785 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.057 4.722 4.268 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.147 3.673 5.702 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.022 5.052 5.678 1.00 10.00 H new ATOM 378 N GLY A 25 2.777 5.835 10.164 1.00 10.00 N ATOM 379 CA GLY A 25 2.433 5.799 11.576 1.00 10.00 C ATOM 380 C GLY A 25 1.087 5.105 11.795 1.00 10.00 C ATOM 381 O GLY A 25 0.277 5.555 12.604 1.00 10.00 O ATOM 0 H GLY A 25 2.348 5.100 9.602 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.211 5.274 12.130 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.391 6.815 11.970 1.00 10.00 H new ATOM 385 N CYS A 26 0.890 4.020 11.060 1.00 10.00 N ATOM 386 CA CYS A 26 -0.344 3.260 11.164 1.00 10.00 C ATOM 387 C CYS A 26 -1.494 4.141 10.673 1.00 10.00 C ATOM 388 O CYS A 26 -2.009 3.941 9.574 1.00 10.00 O ATOM 389 CB CYS A 26 -0.580 2.756 12.589 1.00 10.00 C ATOM 390 SG CYS A 26 0.941 2.518 13.581 1.00 10.00 S ATOM 0 H CYS A 26 1.564 3.649 10.390 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.278 2.369 10.540 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.228 3.463 13.107 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -1.117 1.809 12.540 1.00 10.00 H new ATOM 395 N ASP A 27 -1.864 5.097 11.512 1.00 10.00 N ATOM 396 CA ASP A 27 -2.944 6.010 11.176 1.00 10.00 C ATOM 397 C ASP A 27 -2.961 6.239 9.663 1.00 10.00 C ATOM 398 O ASP A 27 -4.028 6.335 9.059 1.00 10.00 O ATOM 399 CB ASP A 27 -2.751 7.366 11.858 1.00 10.00 C ATOM 400 CG ASP A 27 -3.503 8.529 11.209 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.751 8.462 11.197 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.814 9.459 10.739 1.00 10.00 O ATOM 0 H ASP A 27 -1.436 5.259 12.423 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.879 5.565 11.516 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -3.070 7.282 12.897 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -1.687 7.602 11.869 1.00 10.00 H new ATOM 407 N ALA A 28 -1.767 6.321 9.096 1.00 10.00 N ATOM 408 CA ALA A 28 -1.631 6.538 7.666 1.00 10.00 C ATOM 409 C ALA A 28 -2.664 5.685 6.926 1.00 10.00 C ATOM 410 O ALA A 28 -3.413 6.196 6.095 1.00 10.00 O ATOM 411 CB ALA A 28 -0.197 6.221 7.235 1.00 10.00 C ATOM 0 H ALA A 28 -0.884 6.241 9.601 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.823 7.581 7.416 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.095 6.384 6.162 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.496 6.872 7.768 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.031 5.181 7.467 1.00 10.00 H new ATOM 417 N CYS A 29 -2.669 4.402 7.253 1.00 10.00 N ATOM 418 CA CYS A 29 -3.598 3.474 6.630 1.00 10.00 C ATOM 419 C CYS A 29 -4.686 3.126 7.647 1.00 10.00 C ATOM 420 O CYS A 29 -5.872 3.141 7.322 1.00 10.00 O ATOM 421 CB CYS A 29 -2.884 2.225 6.108 1.00 10.00 C ATOM 422 SG CYS A 29 -1.131 2.478 5.650 1.00 10.00 S ATOM 0 H CYS A 29 -2.044 3.982 7.942 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.055 3.943 5.759 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.937 1.448 6.871 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.423 1.853 5.236 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.982 3.666 5.145 1.00 10.00 H new ATOM 427 N HIS A 30 -4.244 2.821 8.859 1.00 10.00 N ATOM 428 CA HIS A 30 -5.164 2.470 9.926 1.00 10.00 C ATOM 429 C HIS A 30 -5.481 3.712 10.760 1.00 10.00 C ATOM 430 O HIS A 30 -5.460 4.831 10.248 1.00 10.00 O ATOM 431 CB HIS A 30 -4.610 1.317 10.765 1.00 10.00 C ATOM 432 CG HIS A 30 -4.109 0.149 9.949 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.819 -1.031 9.815 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.963 -0.006 9.226 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.122 -1.853 9.045 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.971 -1.217 8.681 1.00 10.00 N ATOM 0 H HIS A 30 -3.259 2.810 9.125 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.101 2.113 9.499 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.795 1.691 11.384 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.389 0.967 11.442 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.725 -1.233 10.237 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.181 0.731 9.115 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.414 -2.852 8.756 1.00 10.00 H new ATOM 444 N GLU A 31 -5.766 3.475 12.032 1.00 10.00 N ATOM 445 CA GLU A 31 -6.085 4.561 12.943 1.00 10.00 C ATOM 446 C GLU A 31 -6.204 4.035 14.375 1.00 10.00 C ATOM 447 O GLU A 31 -5.557 3.052 14.734 1.00 10.00 O ATOM 448 CB GLU A 31 -7.368 5.276 12.515 1.00 10.00 C ATOM 449 CG GLU A 31 -7.259 6.784 12.750 1.00 10.00 C ATOM 450 CD GLU A 31 -8.644 7.422 12.871 1.00 10.00 C ATOM 451 OE1 GLU A 31 -9.289 7.183 13.915 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.027 8.133 11.916 1.00 10.00 O ATOM 0 H GLU A 31 -5.783 2.546 12.453 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.273 5.288 12.909 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -7.562 5.082 11.460 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.215 4.877 13.074 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -6.687 6.974 13.658 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -6.713 7.245 11.927 1.00 10.00 H new ATOM 459 N GLY A 32 -7.034 4.712 15.154 1.00 10.00 N ATOM 460 CA GLY A 32 -7.246 4.326 16.538 1.00 10.00 C ATOM 461 C GLY A 32 -7.435 2.813 16.663 1.00 10.00 C ATOM 462 O GLY A 32 -7.173 2.235 17.715 1.00 10.00 O ATOM 0 H GLY A 32 -7.568 5.527 14.852 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.395 4.641 17.141 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.123 4.839 16.932 1.00 10.00 H new ATOM 466 N THR A 33 -7.892 2.215 15.572 1.00 10.00 N ATOM 467 CA THR A 33 -8.120 0.780 15.545 1.00 10.00 C ATOM 468 C THR A 33 -7.939 0.237 14.126 1.00 10.00 C ATOM 469 O THR A 33 -8.783 0.460 13.260 1.00 10.00 O ATOM 470 CB THR A 33 -9.510 0.512 16.125 1.00 10.00 C ATOM 471 OG1 THR A 33 -9.391 0.884 17.496 1.00 10.00 O ATOM 472 CG2 THR A 33 -9.846 -0.980 16.172 1.00 10.00 C ATOM 0 H THR A 33 -8.110 2.698 14.701 1.00 10.00 H new ATOM 0 HA THR A 33 -7.389 0.252 16.157 1.00 10.00 H new ATOM 0 HB THR A 33 -10.259 1.035 15.530 1.00 10.00 H new ATOM 0 HG1 THR A 33 -8.450 1.056 17.708 1.00 10.00 H new ATOM 0 HG21 THR A 33 -10.843 -1.115 16.592 1.00 10.00 H new ATOM 0 HG22 THR A 33 -9.818 -1.391 15.163 1.00 10.00 H new ATOM 0 HG23 THR A 33 -9.117 -1.498 16.795 1.00 10.00 H new ATOM 480 N PRO A 34 -6.803 -0.482 13.926 1.00 10.00 N ATOM 481 CA PRO A 34 -6.500 -1.059 12.627 1.00 10.00 C ATOM 482 C PRO A 34 -7.369 -2.289 12.357 1.00 10.00 C ATOM 483 O PRO A 34 -8.412 -2.188 11.714 1.00 10.00 O ATOM 484 CB PRO A 34 -5.015 -1.379 12.675 1.00 10.00 C ATOM 485 CG PRO A 34 -4.642 -1.403 14.148 1.00 10.00 C ATOM 486 CD PRO A 34 -5.780 -0.767 14.929 1.00 10.00 C ATOM 0 HA PRO A 34 -6.721 -0.380 11.803 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.807 -2.340 12.204 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.436 -0.628 12.138 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -4.475 -2.427 14.483 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.713 -0.858 14.315 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -6.157 -1.440 15.699 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -5.455 0.143 15.433 1.00 10.00 H new ATOM 494 N ALA A 35 -6.906 -3.423 12.863 1.00 10.00 N ATOM 495 CA ALA A 35 -7.628 -4.671 12.684 1.00 10.00 C ATOM 496 C ALA A 35 -7.139 -5.360 11.408 1.00 10.00 C ATOM 497 O ALA A 35 -6.474 -6.393 11.472 1.00 10.00 O ATOM 498 CB ALA A 35 -9.132 -4.393 12.656 1.00 10.00 C ATOM 0 H ALA A 35 -6.040 -3.503 13.396 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.437 -5.347 13.518 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.673 -5.330 12.522 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.434 -3.931 13.596 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.362 -3.720 11.830 1.00 10.00 H new ATOM 504 N LYS A 36 -7.486 -4.760 10.280 1.00 10.00 N ATOM 505 CA LYS A 36 -7.091 -5.303 8.991 1.00 10.00 C ATOM 506 C LYS A 36 -7.572 -4.368 7.879 1.00 10.00 C ATOM 507 O LYS A 36 -8.258 -3.382 8.145 1.00 10.00 O ATOM 508 CB LYS A 36 -7.588 -6.742 8.841 1.00 10.00 C ATOM 509 CG LYS A 36 -8.998 -6.778 8.251 1.00 10.00 C ATOM 510 CD LYS A 36 -8.970 -7.236 6.791 1.00 10.00 C ATOM 511 CE LYS A 36 -9.361 -8.710 6.672 1.00 10.00 C ATOM 512 NZ LYS A 36 -10.591 -8.857 5.863 1.00 10.00 N ATOM 0 H LYS A 36 -8.037 -3.903 10.231 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.005 -5.355 8.917 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -6.907 -7.300 8.198 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -7.584 -7.235 9.813 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -9.624 -7.453 8.836 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.449 -5.788 8.317 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -9.654 -6.626 6.201 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -7.972 -7.086 6.378 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -8.548 -9.272 6.213 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -9.519 -9.132 7.665 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.842 -9.864 5.793 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.369 -8.337 6.317 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.428 -8.473 4.910 1.00 10.00 H new ATOM 526 N ILE A 37 -7.194 -4.711 6.656 1.00 10.00 N ATOM 527 CA ILE A 37 -7.578 -3.914 5.504 1.00 10.00 C ATOM 528 C ILE A 37 -7.927 -4.845 4.340 1.00 10.00 C ATOM 529 O ILE A 37 -7.557 -6.018 4.346 1.00 10.00 O ATOM 530 CB ILE A 37 -6.487 -2.894 5.170 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.159 -2.024 6.384 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.876 -2.055 3.952 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.898 -1.193 6.140 1.00 10.00 C ATOM 0 H ILE A 37 -6.626 -5.530 6.438 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.471 -3.329 5.725 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.579 -3.438 4.910 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.998 -1.363 6.599 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.018 -2.656 7.261 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.084 -1.338 3.736 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.019 -2.708 3.091 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.803 -1.520 4.160 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.688 -0.584 7.019 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.055 -1.858 5.949 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.051 -0.545 5.277 1.00 10.00 H new ATOM 545 N ALA A 38 -8.635 -4.285 3.370 1.00 10.00 N ATOM 546 CA ALA A 38 -9.038 -5.050 2.202 1.00 10.00 C ATOM 547 C ALA A 38 -8.270 -4.547 0.977 1.00 10.00 C ATOM 548 O ALA A 38 -8.695 -3.598 0.321 1.00 10.00 O ATOM 549 CB ALA A 38 -10.554 -4.947 2.022 1.00 10.00 C ATOM 0 H ALA A 38 -8.940 -3.312 3.369 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.796 -6.105 2.333 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.856 -5.521 1.146 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.053 -5.344 2.906 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.834 -3.902 1.886 1.00 10.00 H new ATOM 555 N ILE A 39 -7.153 -5.205 0.709 1.00 10.00 N ATOM 556 CA ILE A 39 -6.321 -4.837 -0.425 1.00 10.00 C ATOM 557 C ILE A 39 -6.476 -5.887 -1.527 1.00 10.00 C ATOM 558 O ILE A 39 -5.806 -6.918 -1.506 1.00 10.00 O ATOM 559 CB ILE A 39 -4.874 -4.621 0.020 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.754 -3.388 0.919 1.00 10.00 C ATOM 561 CG2 ILE A 39 -3.936 -4.544 -1.186 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.062 -2.109 0.139 1.00 10.00 C ATOM 0 H ILE A 39 -6.804 -5.991 1.257 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.646 -3.885 -0.844 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.567 -5.482 0.613 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.440 -3.479 1.761 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.747 -3.332 1.333 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.913 -4.390 -0.842 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -3.993 -5.474 -1.751 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.233 -3.713 -1.825 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.970 -1.248 0.801 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.358 -2.009 -0.687 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.078 -2.158 -0.253 1.00 10.00 H new ATOM 574 N ASP A 40 -7.362 -5.587 -2.466 1.00 10.00 N ATOM 575 CA ASP A 40 -7.613 -6.491 -3.575 1.00 10.00 C ATOM 576 C ASP A 40 -8.804 -5.979 -4.387 1.00 10.00 C ATOM 577 O ASP A 40 -9.676 -5.295 -3.851 1.00 10.00 O ATOM 578 CB ASP A 40 -7.950 -7.896 -3.074 1.00 10.00 C ATOM 579 CG ASP A 40 -7.303 -9.037 -3.862 1.00 10.00 C ATOM 580 OD1 ASP A 40 -6.059 -9.134 -3.802 1.00 10.00 O ATOM 581 OD2 ASP A 40 -8.069 -9.786 -4.507 1.00 10.00 O ATOM 0 H ASP A 40 -7.915 -4.730 -2.481 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.712 -6.533 -4.186 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -7.644 -7.976 -2.031 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.032 -8.025 -3.100 1.00 10.00 H new ATOM 586 N LYS A 41 -8.804 -6.329 -5.665 1.00 10.00 N ATOM 587 CA LYS A 41 -9.874 -5.913 -6.554 1.00 10.00 C ATOM 588 C LYS A 41 -9.769 -4.407 -6.803 1.00 10.00 C ATOM 589 O LYS A 41 -8.668 -3.864 -6.888 1.00 10.00 O ATOM 590 CB LYS A 41 -11.232 -6.351 -6.001 1.00 10.00 C ATOM 591 CG LYS A 41 -11.173 -7.786 -5.474 1.00 10.00 C ATOM 592 CD LYS A 41 -12.562 -8.279 -5.066 1.00 10.00 C ATOM 593 CE LYS A 41 -12.974 -9.500 -5.889 1.00 10.00 C ATOM 594 NZ LYS A 41 -14.267 -10.037 -5.407 1.00 10.00 N ATOM 0 H LYS A 41 -8.080 -6.896 -6.105 1.00 10.00 H new ATOM 0 HA LYS A 41 -9.776 -6.404 -7.522 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -11.536 -5.678 -5.200 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -11.988 -6.278 -6.783 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -10.761 -8.442 -6.241 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -10.500 -7.835 -4.618 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -12.565 -8.533 -4.006 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -13.290 -7.480 -5.204 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -13.056 -9.226 -6.941 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -12.205 -10.269 -5.819 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -14.533 -10.866 -5.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -14.176 -10.317 -4.409 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -15.001 -9.306 -5.496 1.00 10.00 H new ATOM 608 N LYS A 42 -10.928 -3.775 -6.914 1.00 10.00 N ATOM 609 CA LYS A 42 -10.980 -2.343 -7.152 1.00 10.00 C ATOM 610 C LYS A 42 -10.862 -1.604 -5.818 1.00 10.00 C ATOM 611 O LYS A 42 -11.671 -0.729 -5.514 1.00 10.00 O ATOM 612 CB LYS A 42 -12.234 -1.976 -7.948 1.00 10.00 C ATOM 613 CG LYS A 42 -12.036 -2.255 -9.440 1.00 10.00 C ATOM 614 CD LYS A 42 -13.360 -2.631 -10.107 1.00 10.00 C ATOM 615 CE LYS A 42 -14.258 -1.403 -10.274 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.221 -1.309 -9.155 1.00 10.00 N ATOM 0 H LYS A 42 -11.839 -4.229 -6.843 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.137 -2.029 -7.767 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -13.085 -2.547 -7.577 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.468 -0.922 -7.799 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -11.617 -1.374 -9.926 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -11.316 -3.063 -9.570 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.166 -3.079 -11.081 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.873 -3.382 -9.507 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -13.647 -0.501 -10.313 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -14.796 -1.464 -11.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.173 -1.124 -9.531 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.226 -2.204 -8.625 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -14.942 -0.533 -8.521 1.00 10.00 H new ATOM 630 N SER A 43 -9.848 -1.984 -5.054 1.00 10.00 N ATOM 631 CA SER A 43 -9.613 -1.369 -3.760 1.00 10.00 C ATOM 632 C SER A 43 -8.149 -0.943 -3.639 1.00 10.00 C ATOM 633 O SER A 43 -7.852 0.242 -3.498 1.00 10.00 O ATOM 634 CB SER A 43 -9.984 -2.322 -2.621 1.00 10.00 C ATOM 635 OG SER A 43 -10.904 -1.730 -1.707 1.00 10.00 O ATOM 0 H SER A 43 -9.179 -2.711 -5.308 1.00 10.00 H new ATOM 0 HA SER A 43 -10.248 -0.487 -3.682 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.420 -3.231 -3.036 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.081 -2.617 -2.086 1.00 10.00 H new ATOM 0 HG SER A 43 -11.117 -2.370 -0.996 1.00 10.00 H new ATOM 641 N ALA A 44 -7.271 -1.935 -3.699 1.00 10.00 N ATOM 642 CA ALA A 44 -5.845 -1.677 -3.600 1.00 10.00 C ATOM 643 C ALA A 44 -5.427 -0.702 -4.702 1.00 10.00 C ATOM 644 O ALA A 44 -4.364 -0.089 -4.624 1.00 10.00 O ATOM 645 CB ALA A 44 -5.081 -3.002 -3.673 1.00 10.00 C ATOM 0 H ALA A 44 -7.520 -2.917 -3.815 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.605 -1.213 -2.643 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.011 -2.809 -3.599 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.392 -3.647 -2.851 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.296 -3.494 -4.621 1.00 10.00 H new ATOM 651 N HIS A 45 -6.288 -0.587 -5.703 1.00 10.00 N ATOM 652 CA HIS A 45 -6.022 0.304 -6.820 1.00 10.00 C ATOM 653 C HIS A 45 -6.730 1.640 -6.590 1.00 10.00 C ATOM 654 O HIS A 45 -6.603 2.560 -7.395 1.00 10.00 O ATOM 655 CB HIS A 45 -6.414 -0.354 -8.145 1.00 10.00 C ATOM 656 CG HIS A 45 -5.464 -1.438 -8.597 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.550 -2.037 -9.841 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.411 -2.023 -7.958 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.585 -2.942 -9.937 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.881 -2.931 -8.768 1.00 10.00 N ATOM 0 H HIS A 45 -7.170 -1.096 -5.764 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.953 0.505 -6.883 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.413 -0.779 -8.047 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.468 0.413 -8.918 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.238 -1.820 -10.562 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.067 -1.787 -6.962 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.391 -3.576 -10.790 1.00 10.00 H new ATOM 668 N LYS A 46 -7.460 1.704 -5.486 1.00 10.00 N ATOM 669 CA LYS A 46 -8.188 2.912 -5.139 1.00 10.00 C ATOM 670 C LYS A 46 -7.429 3.664 -4.043 1.00 10.00 C ATOM 671 O LYS A 46 -6.226 3.467 -3.870 1.00 10.00 O ATOM 672 CB LYS A 46 -9.634 2.579 -4.767 1.00 10.00 C ATOM 673 CG LYS A 46 -10.603 3.604 -5.361 1.00 10.00 C ATOM 674 CD LYS A 46 -11.999 3.002 -5.533 1.00 10.00 C ATOM 675 CE LYS A 46 -12.893 3.920 -6.369 1.00 10.00 C ATOM 676 NZ LYS A 46 -14.233 4.041 -5.753 1.00 10.00 N ATOM 0 H LYS A 46 -7.563 0.938 -4.820 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.250 3.578 -5.999 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.886 1.582 -5.129 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.739 2.560 -3.682 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.657 4.478 -4.712 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.229 3.947 -6.326 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.922 2.027 -6.014 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.452 2.840 -4.555 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -12.435 4.905 -6.453 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.986 3.524 -7.380 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.827 4.667 -6.333 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.675 3.101 -5.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.141 4.439 -4.797 1.00 10.00 H new ATOM 690 N ASP A 47 -8.162 4.509 -3.332 1.00 10.00 N ATOM 691 CA ASP A 47 -7.572 5.289 -2.258 1.00 10.00 C ATOM 692 C ASP A 47 -6.636 4.398 -1.439 1.00 10.00 C ATOM 693 O ASP A 47 -5.661 4.880 -0.863 1.00 10.00 O ATOM 694 CB ASP A 47 -8.649 5.833 -1.318 1.00 10.00 C ATOM 695 CG ASP A 47 -9.832 6.510 -2.012 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.570 7.453 -2.790 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.973 6.069 -1.749 1.00 10.00 O ATOM 0 H ASP A 47 -9.158 4.670 -3.479 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.029 6.121 -2.705 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.026 5.012 -0.709 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.188 6.549 -0.638 1.00 10.00 H new ATOM 702 N ALA A 48 -6.964 3.115 -1.415 1.00 10.00 N ATOM 703 CA ALA A 48 -6.164 2.152 -0.677 1.00 10.00 C ATOM 704 C ALA A 48 -4.682 2.496 -0.838 1.00 10.00 C ATOM 705 O ALA A 48 -4.059 3.025 0.081 1.00 10.00 O ATOM 706 CB ALA A 48 -6.491 0.739 -1.161 1.00 10.00 C ATOM 0 H ALA A 48 -7.773 2.720 -1.895 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.398 2.194 0.387 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -5.891 0.017 -0.607 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.549 0.534 -0.997 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.267 0.658 -2.225 1.00 10.00 H new ATOM 712 N CYS A 49 -4.159 2.179 -2.015 1.00 10.00 N ATOM 713 CA CYS A 49 -2.762 2.448 -2.309 1.00 10.00 C ATOM 714 C CYS A 49 -2.666 3.822 -2.975 1.00 10.00 C ATOM 715 O CYS A 49 -2.031 4.731 -2.444 1.00 10.00 O ATOM 716 CB CYS A 49 -2.146 1.349 -3.176 1.00 10.00 C ATOM 717 SG CYS A 49 -2.061 -0.298 -2.383 1.00 10.00 S ATOM 0 H CYS A 49 -4.678 1.739 -2.775 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.187 2.455 -1.383 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.725 1.264 -4.096 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.138 1.652 -3.460 1.00 10.00 H new ATOM 0 HG CYS A 49 -2.810 -0.307 -1.320 1.00 10.00 H new ATOM 722 N LYS A 50 -3.308 3.929 -4.129 1.00 10.00 N ATOM 723 CA LYS A 50 -3.304 5.177 -4.874 1.00 10.00 C ATOM 724 C LYS A 50 -3.886 6.290 -4.000 1.00 10.00 C ATOM 725 O LYS A 50 -5.101 6.378 -3.828 1.00 10.00 O ATOM 726 CB LYS A 50 -4.026 5.005 -6.212 1.00 10.00 C ATOM 727 CG LYS A 50 -3.214 4.125 -7.164 1.00 10.00 C ATOM 728 CD LYS A 50 -2.594 4.959 -8.287 1.00 10.00 C ATOM 729 CE LYS A 50 -3.388 4.807 -9.585 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.459 5.826 -9.660 1.00 10.00 N ATOM 0 H LYS A 50 -3.834 3.173 -4.566 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.284 5.468 -5.124 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.006 4.559 -6.046 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.193 5.981 -6.667 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.427 3.613 -6.610 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -3.857 3.355 -7.590 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.568 6.008 -7.993 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.562 4.647 -8.449 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.720 4.909 -10.441 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -3.823 3.809 -9.637 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -4.988 5.709 -10.547 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -5.105 5.710 -8.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.037 6.776 -9.632 1.00 10.00 H new ATOM 744 N THR A 51 -2.992 7.112 -3.470 1.00 10.00 N ATOM 745 CA THR A 51 -3.402 8.216 -2.619 1.00 10.00 C ATOM 746 C THR A 51 -2.187 8.832 -1.923 1.00 10.00 C ATOM 747 O THR A 51 -1.839 9.985 -2.180 1.00 10.00 O ATOM 748 CB THR A 51 -4.459 7.693 -1.644 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.697 8.074 -2.236 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.441 8.436 -0.307 1.00 10.00 C ATOM 0 H THR A 51 -1.985 7.035 -3.614 1.00 10.00 H new ATOM 0 HA THR A 51 -3.847 9.022 -3.203 1.00 10.00 H new ATOM 0 HB THR A 51 -4.297 6.629 -1.470 1.00 10.00 H new ATOM 0 HG1 THR A 51 -5.725 7.764 -3.165 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.210 8.026 0.348 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.464 8.317 0.162 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.636 9.495 -0.477 1.00 10.00 H new ATOM 758 N CYS A 52 -1.574 8.039 -1.058 1.00 10.00 N ATOM 759 CA CYS A 52 -0.405 8.493 -0.325 1.00 10.00 C ATOM 760 C CYS A 52 0.842 7.929 -1.010 1.00 10.00 C ATOM 761 O CYS A 52 1.485 7.020 -0.487 1.00 10.00 O ATOM 762 CB CYS A 52 -0.473 8.095 1.152 1.00 10.00 C ATOM 763 SG CYS A 52 1.063 8.396 2.099 1.00 10.00 S ATOM 0 H CYS A 52 -1.865 7.084 -0.848 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.365 9.582 -0.339 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.288 8.644 1.624 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.722 7.036 1.217 1.00 10.00 H new ATOM 768 N HIS A 53 1.146 8.493 -2.170 1.00 10.00 N ATOM 769 CA HIS A 53 2.303 8.058 -2.932 1.00 10.00 C ATOM 770 C HIS A 53 2.721 9.161 -3.906 1.00 10.00 C ATOM 771 O HIS A 53 3.905 9.471 -4.028 1.00 10.00 O ATOM 772 CB HIS A 53 2.024 6.726 -3.632 1.00 10.00 C ATOM 773 CG HIS A 53 2.635 5.530 -2.941 1.00 10.00 C ATOM 774 ND1 HIS A 53 2.615 4.258 -3.486 1.00 10.00 N ATOM 775 CD2 HIS A 53 3.283 5.426 -1.745 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.225 3.433 -2.647 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.638 4.159 -1.568 1.00 10.00 N ATOM 0 H HIS A 53 0.611 9.247 -2.600 1.00 10.00 H new ATOM 0 HA HIS A 53 3.140 7.880 -2.257 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.946 6.582 -3.700 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.404 6.777 -4.652 1.00 10.00 H new ATOM 0 HD1 HIS A 53 2.201 3.999 -4.382 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.475 6.237 -1.058 1.00 10.00 H new ATOM 0 HE1 HIS A 53 3.370 2.373 -2.792 1.00 10.00 H new ATOM 785 N LYS A 54 1.725 9.726 -4.574 1.00 10.00 N ATOM 786 CA LYS A 54 1.975 10.788 -5.533 1.00 10.00 C ATOM 787 C LYS A 54 2.118 12.118 -4.788 1.00 10.00 C ATOM 788 O LYS A 54 1.322 13.034 -4.988 1.00 10.00 O ATOM 789 CB LYS A 54 0.889 10.802 -6.611 1.00 10.00 C ATOM 790 CG LYS A 54 -0.506 10.743 -5.986 1.00 10.00 C ATOM 791 CD LYS A 54 -1.559 11.305 -6.944 1.00 10.00 C ATOM 792 CE LYS A 54 -2.570 12.176 -6.196 1.00 10.00 C ATOM 793 NZ LYS A 54 -1.962 13.474 -5.825 1.00 10.00 N ATOM 0 H LYS A 54 0.744 9.468 -4.470 1.00 10.00 H new ATOM 0 HA LYS A 54 2.913 10.613 -6.059 1.00 10.00 H new ATOM 0 HB2 LYS A 54 0.983 11.705 -7.215 1.00 10.00 H new ATOM 0 HB3 LYS A 54 1.027 9.954 -7.282 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -0.752 9.712 -5.733 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -0.516 11.310 -5.055 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -1.072 11.893 -7.722 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.077 10.486 -7.442 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.447 12.344 -6.821 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -2.912 11.658 -5.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -2.709 14.137 -5.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -1.299 13.334 -5.036 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -1.450 13.864 -6.642 1.00 10.00 H new ATOM 807 N SER A 55 3.138 12.180 -3.947 1.00 10.00 N ATOM 808 CA SER A 55 3.397 13.381 -3.172 1.00 10.00 C ATOM 809 C SER A 55 4.877 13.760 -3.270 1.00 10.00 C ATOM 810 O SER A 55 5.210 14.882 -3.644 1.00 10.00 O ATOM 811 CB SER A 55 2.994 13.190 -1.708 1.00 10.00 C ATOM 812 OG SER A 55 2.815 14.435 -1.037 1.00 10.00 O ATOM 0 H SER A 55 3.796 11.418 -3.785 1.00 10.00 H new ATOM 0 HA SER A 55 2.794 14.190 -3.584 1.00 10.00 H new ATOM 0 HB2 SER A 55 2.069 12.615 -1.659 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.759 12.608 -1.194 1.00 10.00 H new ATOM 0 HG SER A 55 2.557 14.271 -0.106 1.00 10.00 H new ATOM 818 N ASN A 56 5.723 12.800 -2.927 1.00 10.00 N ATOM 819 CA ASN A 56 7.160 13.019 -2.971 1.00 10.00 C ATOM 820 C ASN A 56 7.769 12.149 -4.073 1.00 10.00 C ATOM 821 O ASN A 56 8.367 12.666 -5.016 1.00 10.00 O ATOM 822 CB ASN A 56 7.817 12.631 -1.646 1.00 10.00 C ATOM 823 CG ASN A 56 8.845 13.679 -1.216 1.00 10.00 C ATOM 824 OD1 ASN A 56 9.716 14.078 -1.972 1.00 10.00 O ATOM 825 ND2 ASN A 56 8.697 14.101 0.037 1.00 10.00 N ATOM 0 H ASN A 56 5.442 11.870 -2.618 1.00 10.00 H new ATOM 0 HA ASN A 56 7.335 14.078 -3.163 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.054 12.527 -0.875 1.00 10.00 H new ATOM 0 HB3 ASN A 56 8.302 11.660 -1.747 1.00 10.00 H new ATOM 0 HD21 ASN A 56 9.334 14.800 0.418 1.00 10.00 H new ATOM 0 HD22 ASN A 56 7.946 13.725 0.616 1.00 10.00 H new ATOM 832 N ASN A 57 7.597 10.845 -3.917 1.00 10.00 N ATOM 833 CA ASN A 57 8.123 9.899 -4.886 1.00 10.00 C ATOM 834 C ASN A 57 7.223 8.663 -4.926 1.00 10.00 C ATOM 835 O ASN A 57 7.358 7.765 -4.095 1.00 10.00 O ATOM 836 CB ASN A 57 9.533 9.446 -4.505 1.00 10.00 C ATOM 837 CG ASN A 57 9.574 8.935 -3.063 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.627 9.066 -2.304 1.00 10.00 O ATOM 839 ND2 ASN A 57 10.720 8.349 -2.729 1.00 10.00 N ATOM 0 H ASN A 57 7.100 10.421 -3.133 1.00 10.00 H new ATOM 0 HA ASN A 57 8.154 10.393 -5.857 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.861 8.658 -5.183 1.00 10.00 H new ATOM 0 HB3 ASN A 57 10.229 10.277 -4.620 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.847 7.976 -1.788 1.00 10.00 H new ATOM 0 HD22 ASN A 57 11.472 8.273 -3.414 1.00 10.00 H new ATOM 846 N GLY A 58 6.325 8.653 -5.900 1.00 10.00 N ATOM 847 CA GLY A 58 5.403 7.542 -6.059 1.00 10.00 C ATOM 848 C GLY A 58 5.150 7.247 -7.538 1.00 10.00 C ATOM 849 O GLY A 58 4.696 8.118 -8.280 1.00 10.00 O ATOM 0 H GLY A 58 6.216 9.398 -6.588 1.00 10.00 H new ATOM 0 HA2 GLY A 58 5.809 6.655 -5.572 1.00 10.00 H new ATOM 0 HA3 GLY A 58 4.460 7.774 -5.564 1.00 10.00 H new ATOM 853 N PRO A 59 5.461 5.983 -7.934 1.00 10.00 N ATOM 854 CA PRO A 59 5.271 5.563 -9.312 1.00 10.00 C ATOM 855 C PRO A 59 3.789 5.330 -9.615 1.00 10.00 C ATOM 856 O PRO A 59 3.317 4.195 -9.585 1.00 10.00 O ATOM 857 CB PRO A 59 6.112 4.305 -9.459 1.00 10.00 C ATOM 858 CG PRO A 59 6.368 3.809 -8.046 1.00 10.00 C ATOM 859 CD PRO A 59 5.999 4.926 -7.084 1.00 10.00 C ATOM 0 HA PRO A 59 5.583 6.321 -10.030 1.00 10.00 H new ATOM 0 HB2 PRO A 59 5.589 3.552 -10.049 1.00 10.00 H new ATOM 0 HB3 PRO A 59 7.049 4.519 -9.974 1.00 10.00 H new ATOM 0 HG2 PRO A 59 5.775 2.918 -7.841 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.415 3.530 -7.923 1.00 10.00 H new ATOM 0 HD2 PRO A 59 5.263 4.592 -6.353 1.00 10.00 H new ATOM 0 HD3 PRO A 59 6.869 5.271 -6.525 1.00 10.00 H new ATOM 867 N THR A 60 3.098 6.424 -9.901 1.00 10.00 N ATOM 868 CA THR A 60 1.680 6.352 -10.210 1.00 10.00 C ATOM 869 C THR A 60 1.470 6.137 -11.710 1.00 10.00 C ATOM 870 O THR A 60 0.423 6.487 -12.251 1.00 10.00 O ATOM 871 CB THR A 60 1.016 7.626 -9.680 1.00 10.00 C ATOM 872 OG1 THR A 60 -0.373 7.418 -9.917 1.00 10.00 O ATOM 873 CG2 THR A 60 1.358 8.857 -10.522 1.00 10.00 C ATOM 0 H THR A 60 3.493 7.364 -9.925 1.00 10.00 H new ATOM 0 HA THR A 60 1.212 5.496 -9.723 1.00 10.00 H new ATOM 0 HB THR A 60 1.325 7.794 -8.648 1.00 10.00 H new ATOM 0 HG1 THR A 60 -0.506 7.121 -10.841 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.862 9.733 -10.104 1.00 10.00 H new ATOM 0 HG22 THR A 60 2.437 9.013 -10.517 1.00 10.00 H new ATOM 0 HG23 THR A 60 1.019 8.703 -11.546 1.00 10.00 H new ATOM 881 N LYS A 61 2.484 5.562 -12.340 1.00 10.00 N ATOM 882 CA LYS A 61 2.425 5.295 -13.767 1.00 10.00 C ATOM 883 C LYS A 61 2.245 3.793 -13.993 1.00 10.00 C ATOM 884 O LYS A 61 3.059 3.161 -14.665 1.00 10.00 O ATOM 885 CB LYS A 61 3.648 5.882 -14.473 1.00 10.00 C ATOM 886 CG LYS A 61 4.844 5.963 -13.522 1.00 10.00 C ATOM 887 CD LYS A 61 6.063 6.564 -14.223 1.00 10.00 C ATOM 888 CE LYS A 61 7.199 6.816 -13.229 1.00 10.00 C ATOM 889 NZ LYS A 61 8.509 6.773 -13.918 1.00 10.00 N ATOM 0 H LYS A 61 3.352 5.273 -11.888 1.00 10.00 H new ATOM 0 HA LYS A 61 1.562 5.790 -14.212 1.00 10.00 H new ATOM 0 HB2 LYS A 61 3.905 5.266 -15.335 1.00 10.00 H new ATOM 0 HB3 LYS A 61 3.412 6.877 -14.851 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.583 6.570 -12.655 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.087 4.967 -13.152 1.00 10.00 H new ATOM 0 HD2 LYS A 61 6.405 5.889 -15.008 1.00 10.00 H new ATOM 0 HD3 LYS A 61 5.784 7.500 -14.707 1.00 10.00 H new ATOM 0 HE2 LYS A 61 7.064 7.787 -12.752 1.00 10.00 H new ATOM 0 HE3 LYS A 61 7.172 6.066 -12.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 9.269 6.946 -13.230 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 8.642 5.838 -14.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 8.537 7.505 -14.656 1.00 10.00 H new ATOM 903 N CYS A 62 1.174 3.264 -13.419 1.00 10.00 N ATOM 904 CA CYS A 62 0.878 1.847 -13.551 1.00 10.00 C ATOM 905 C CYS A 62 1.995 1.058 -12.866 1.00 10.00 C ATOM 906 O CYS A 62 3.174 1.360 -13.046 1.00 10.00 O ATOM 907 CB CYS A 62 0.703 1.439 -15.015 1.00 10.00 C ATOM 908 SG CYS A 62 -0.071 -0.199 -15.267 1.00 10.00 S ATOM 0 H CYS A 62 0.501 3.791 -12.862 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.072 1.624 -13.066 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.097 2.193 -15.518 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.680 1.442 -15.498 1.00 10.00 H new ATOM 0 HG CYS A 62 0.757 -1.131 -14.901 1.00 10.00 H new ATOM 913 N GLY A 63 1.585 0.060 -12.097 1.00 10.00 N ATOM 914 CA GLY A 63 2.537 -0.776 -11.385 1.00 10.00 C ATOM 915 C GLY A 63 3.116 -0.039 -10.175 1.00 10.00 C ATOM 916 O GLY A 63 2.466 0.064 -9.136 1.00 10.00 O ATOM 0 H GLY A 63 0.607 -0.189 -11.951 1.00 10.00 H new ATOM 0 HA2 GLY A 63 2.047 -1.693 -11.057 1.00 10.00 H new ATOM 0 HA3 GLY A 63 3.344 -1.069 -12.057 1.00 10.00 H new ATOM 920 N GLY A 64 4.334 0.454 -10.350 1.00 10.00 N ATOM 921 CA GLY A 64 5.008 1.177 -9.286 1.00 10.00 C ATOM 922 C GLY A 64 5.364 0.243 -8.127 1.00 10.00 C ATOM 923 O GLY A 64 6.523 0.162 -7.724 1.00 10.00 O ATOM 0 H GLY A 64 4.871 0.367 -11.213 1.00 10.00 H new ATOM 0 HA2 GLY A 64 5.914 1.641 -9.675 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.367 1.981 -8.926 1.00 10.00 H new ATOM 927 N CYS A 65 4.345 -0.437 -7.624 1.00 10.00 N ATOM 928 CA CYS A 65 4.535 -1.362 -6.519 1.00 10.00 C ATOM 929 C CYS A 65 4.671 -2.774 -7.094 1.00 10.00 C ATOM 930 O CYS A 65 5.216 -3.663 -6.440 1.00 10.00 O ATOM 931 CB CYS A 65 3.397 -1.268 -5.501 1.00 10.00 C ATOM 932 SG CYS A 65 1.758 -0.878 -6.214 1.00 10.00 S ATOM 0 H CYS A 65 3.385 -0.366 -7.961 1.00 10.00 H new ATOM 0 HA CYS A 65 5.443 -1.102 -5.975 1.00 10.00 H new ATOM 0 HB2 CYS A 65 3.328 -2.215 -4.966 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.649 -0.504 -4.766 1.00 10.00 H new ATOM 0 HG CYS A 65 1.888 -0.611 -7.480 1.00 10.00 H new ATOM 937 N HIS A 66 4.169 -2.936 -8.309 1.00 10.00 N ATOM 938 CA HIS A 66 4.229 -4.224 -8.978 1.00 10.00 C ATOM 939 C HIS A 66 5.638 -4.453 -9.527 1.00 10.00 C ATOM 940 O HIS A 66 5.921 -4.124 -10.677 1.00 10.00 O ATOM 941 CB HIS A 66 3.149 -4.327 -10.056 1.00 10.00 C ATOM 942 CG HIS A 66 1.844 -4.909 -9.566 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.576 -6.266 -9.580 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.738 -4.303 -9.046 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.360 -6.458 -9.091 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.158 -5.240 -8.761 1.00 10.00 N ATOM 0 H HIS A 66 3.719 -2.196 -8.848 1.00 10.00 H new ATOM 0 HA HIS A 66 4.023 -5.019 -8.262 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.961 -3.334 -10.464 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.524 -4.942 -10.874 1.00 10.00 H new ATOM 0 HD1 HIS A 66 2.208 -6.995 -9.911 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.613 -3.241 -8.892 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.134 -7.411 -8.974 1.00 10.00 H new ATOM 954 N ILE A 67 6.486 -5.015 -8.677 1.00 10.00 N ATOM 955 CA ILE A 67 7.859 -5.291 -9.063 1.00 10.00 C ATOM 956 C ILE A 67 7.870 -6.007 -10.416 1.00 10.00 C ATOM 957 O ILE A 67 7.385 -7.131 -10.531 1.00 10.00 O ATOM 958 CB ILE A 67 8.582 -6.059 -7.955 1.00 10.00 C ATOM 959 CG1 ILE A 67 10.050 -5.636 -7.862 1.00 10.00 C ATOM 960 CG2 ILE A 67 8.433 -7.570 -8.147 1.00 10.00 C ATOM 961 CD1 ILE A 67 10.681 -6.126 -6.558 1.00 10.00 C ATOM 0 H ILE A 67 6.248 -5.286 -7.723 1.00 10.00 H new ATOM 0 HA ILE A 67 8.414 -4.361 -9.190 1.00 10.00 H new ATOM 0 HB ILE A 67 8.113 -5.807 -7.004 1.00 10.00 H new ATOM 0 HG12 ILE A 67 10.602 -6.039 -8.711 1.00 10.00 H new ATOM 0 HG13 ILE A 67 10.123 -4.550 -7.920 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.956 -8.092 -7.346 1.00 10.00 H new ATOM 0 HG22 ILE A 67 7.376 -7.837 -8.125 1.00 10.00 H new ATOM 0 HG23 ILE A 67 8.860 -7.859 -9.107 1.00 10.00 H new ATOM 0 HD11 ILE A 67 11.724 -5.812 -6.518 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.141 -5.702 -5.711 1.00 10.00 H new ATOM 0 HD13 ILE A 67 10.628 -7.214 -6.514 1.00 10.00 H new ATOM 973 N LYS A 68 8.429 -5.325 -11.404 1.00 10.00 N ATOM 974 CA LYS A 68 8.510 -5.881 -12.744 1.00 10.00 C ATOM 975 C LYS A 68 9.809 -6.679 -12.883 1.00 10.00 C ATOM 976 O LYS A 68 10.863 -6.240 -12.428 1.00 10.00 O ATOM 977 CB LYS A 68 8.352 -4.779 -13.793 1.00 10.00 C ATOM 978 CG LYS A 68 9.447 -3.720 -13.646 1.00 10.00 C ATOM 979 CD LYS A 68 9.705 -3.009 -14.975 1.00 10.00 C ATOM 980 CE LYS A 68 11.176 -3.120 -15.381 1.00 10.00 C ATOM 981 NZ LYS A 68 11.293 -3.436 -16.822 1.00 10.00 N ATOM 0 H LYS A 68 8.830 -4.393 -11.304 1.00 10.00 H new ATOM 0 HA LYS A 68 7.688 -6.575 -12.918 1.00 10.00 H new ATOM 0 HB2 LYS A 68 8.394 -5.214 -14.792 1.00 10.00 H new ATOM 0 HB3 LYS A 68 7.373 -4.311 -13.690 1.00 10.00 H new ATOM 0 HG2 LYS A 68 9.154 -2.991 -12.891 1.00 10.00 H new ATOM 0 HG3 LYS A 68 10.367 -4.189 -13.296 1.00 10.00 H new ATOM 0 HD2 LYS A 68 9.076 -3.444 -15.752 1.00 10.00 H new ATOM 0 HD3 LYS A 68 9.426 -1.959 -14.890 1.00 10.00 H new ATOM 0 HE2 LYS A 68 11.691 -2.184 -15.165 1.00 10.00 H new ATOM 0 HE3 LYS A 68 11.665 -3.896 -14.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 12.298 -3.508 -17.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 10.819 -4.341 -17.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 10.845 -2.682 -17.380 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.339 1.807 -12.306 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.464 -2.366 8.936 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.232 -5.204 8.332 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.958 -2.819 12.266 1.00 10.00 C HETATM 1000 CHC HEC A 98 0.702 0.121 9.518 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.525 -1.616 5.704 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.402 -3.723 10.013 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.086 -4.822 9.658 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.363 -5.713 10.810 1.00 10.00 C HETATM 1005 C3A HEC A 98 -3.020 -5.004 11.885 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.406 -3.814 11.492 1.00 10.00 C HETATM 1007 CMA HEC A 98 -3.142 -5.492 13.380 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.114 -7.004 10.650 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.159 -8.078 10.035 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.473 -9.051 10.983 1.00 10.00 C HETATM 1011 O1A HEC A 98 -3.066 -10.128 11.105 1.00 10.00 O HETATM 1012 O2A HEC A 98 -1.401 -8.741 11.546 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.754 -1.489 10.590 1.00 10.00 N HETATM 1014 C1B HEC A 98 -1.253 -1.688 11.872 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.516 -0.763 12.727 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.295 0.036 11.991 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.064 -0.425 10.648 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.811 -0.666 14.268 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.183 1.192 12.371 1.00 10.00 C HETATM 1020 CBB HEC A 98 2.572 0.776 12.884 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.590 -1.008 7.775 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.296 -0.034 8.124 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.705 0.866 7.119 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.111 0.346 6.024 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.758 -0.755 6.434 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.645 2.029 7.206 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.048 0.914 4.579 1.00 10.00 C HETATM 1028 CBC HEC A 98 -1.443 0.600 3.990 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.240 -3.233 7.304 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.163 -2.763 5.998 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.807 -3.647 5.142 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.261 -4.679 5.871 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.833 -4.455 7.250 1.00 10.00 C HETATM 1034 CMD HEC A 98 -2.903 -3.513 3.554 1.00 10.00 C HETATM 1035 CAD HEC A 98 -3.919 -5.959 5.300 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.030 -6.688 4.321 1.00 10.00 C HETATM 1037 CGD HEC A 98 -3.586 -7.003 2.945 1.00 10.00 C HETATM 1038 O1D HEC A 98 -4.800 -6.734 2.743 1.00 10.00 O HETATM 1039 O2D HEC A 98 -2.813 -7.656 2.209 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.406 -2.581 3.297 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -1.900 -3.513 3.128 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.469 -4.353 3.152 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.265 2.751 7.929 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.627 1.680 7.524 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.728 2.504 6.228 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.850 -0.376 14.422 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.632 -1.635 14.734 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 -0.155 0.080 14.718 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.184 -5.719 13.605 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.537 -6.388 13.521 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.789 -4.707 14.049 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -2.126 -6.095 4.187 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.729 -7.629 4.782 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 -1.587 -0.480 3.951 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 -2.213 1.046 4.620 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 -1.514 1.012 2.983 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.461 0.153 13.771 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.093 0.214 12.109 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.148 1.666 13.136 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -3.733 -8.662 9.315 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.384 -7.554 9.476 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.173 -6.629 6.122 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.853 -5.692 4.806 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.489 -7.343 11.616 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -4.980 -6.858 10.005 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.646 -1.310 4.665 1.00 10.00 H new HETATM 0 HHC HEC A 98 1.592 0.722 9.703 1.00 10.00 H new HETATM 0 HHB HEC A 98 -2.171 -2.906 13.331 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.697 -6.169 8.133 1.00 10.00 H new HETATM 0 HAC HEC A 98 0.729 1.465 4.050 1.00 10.00 H new HETATM 0 H2D HEC A 98 -3.295 -7.952 1.409 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.222 -9.369 12.276 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.941 2.670 -0.023 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.295 3.047 -0.417 1.00 10.00 C HETATM 1074 CHB HEC A 128 4.030 0.031 -2.160 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.758 2.006 0.782 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.776 5.588 1.546 1.00 10.00 C HETATM 1077 NA HEC A 128 5.369 1.778 -1.045 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.687 2.023 -1.129 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.428 0.915 -1.778 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.486 0.111 -2.272 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.227 0.541 -1.848 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.747 -1.215 -3.083 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.915 0.967 -1.978 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.522 -0.443 -1.678 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.999 -0.661 -1.965 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.385 -0.130 -3.013 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.712 -1.311 -1.171 1.00 10.00 O HETATM 1088 NB HEC A 128 2.616 1.277 -0.587 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.792 0.399 -1.650 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.537 -0.338 -1.759 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.611 0.149 -0.896 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.325 1.201 -0.223 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.323 -1.426 -2.875 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.839 -0.194 -0.677 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.099 -1.076 0.555 1.00 10.00 C HETATM 1096 NC HEC A 128 2.547 3.659 0.993 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.268 3.284 1.272 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.446 4.213 1.942 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.315 5.213 2.202 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.587 4.919 1.545 1.00 10.00 C HETATM 1101 CMC HEC A 128 -0.986 4.087 2.363 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.079 6.657 2.742 1.00 10.00 C HETATM 1103 CBC HEC A 128 -0.072 6.705 3.772 1.00 10.00 C HETATM 1104 ND HEC A 128 5.276 4.077 0.474 1.00 10.00 N HETATM 1105 C1D HEC A 128 5.019 5.265 1.148 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.201 5.972 1.324 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.204 5.246 0.802 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.624 3.994 0.324 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.360 7.359 2.098 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.710 5.594 0.902 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.295 6.046 -0.415 1.00 10.00 C HETATM 1112 CGD HEC A 128 10.796 5.936 -0.609 1.00 10.00 C HETATM 1113 O1D HEC A 128 11.201 5.139 -1.498 1.00 10.00 O HETATM 1114 O2D HEC A 128 11.477 6.530 0.258 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.742 8.117 1.617 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.043 7.236 3.134 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.404 7.672 2.073 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.610 3.917 1.485 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.091 3.248 3.050 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.301 5.004 2.860 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.429 -0.965 -3.857 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 2.067 -2.214 -2.762 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.325 -1.853 -2.780 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.315 -0.985 -3.984 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.312 -1.914 -2.466 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.794 -1.665 -3.361 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 8.814 5.472 -1.207 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 9.016 7.089 -0.563 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.994 6.361 3.304 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.169 6.060 4.617 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.204 7.728 4.123 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.561 -2.018 0.448 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.754 -0.560 1.451 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.167 -1.276 0.640 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.351 -0.663 -0.624 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 8.958 -1.178 -2.252 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 8.848 6.380 1.644 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.257 4.721 1.257 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.147 1.266 -3.000 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.357 1.714 -1.319 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.703 6.596 1.955 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.158 1.637 1.243 1.00 10.00 H new HETATM 0 HHB HEC A 128 4.026 -0.767 -2.902 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.383 3.106 -0.446 1.00 10.00 H new HETATM 0 HAB HEC A 128 -1.635 0.153 -1.335 1.00 10.00 H new HETATM 0 H2D HEC A 128 12.420 6.285 0.157 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.558 -1.545 -1.607 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.003 -4.061 -9.044 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.004 -6.807 -7.309 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.351 -5.811 -11.932 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.523 -1.213 -10.738 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.085 -2.585 -6.217 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.551 -5.903 -9.475 1.00 10.00 N HETATM 1153 C1A HEC A 158 -2.928 -6.925 -8.690 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.544 -8.032 -9.460 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.319 -7.731 -10.739 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.758 -6.457 -10.834 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.757 -8.606 -11.976 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.045 -9.280 -8.790 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.167 -10.492 -9.243 1.00 10.00 C HETATM 1160 CGA HEC A 158 -3.818 -11.865 -9.296 1.00 10.00 C HETATM 1161 O1A HEC A 158 -4.970 -11.852 -9.744 1.00 10.00 O HETATM 1162 O2A HEC A 158 -3.193 -12.879 -8.920 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.937 -3.584 -10.987 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.893 -4.503 -12.029 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.732 -3.711 -13.244 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.562 -2.398 -12.948 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.644 -2.383 -11.511 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.615 -4.395 -14.655 1.00 10.00 C HETATM 1169 CAB HEC A 158 -1.275 -1.200 -13.813 1.00 10.00 C HETATM 1170 CBB HEC A 158 -2.247 -0.027 -13.609 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.406 -2.237 -8.521 1.00 10.00 N HETATM 1172 C1C HEC A 158 -1.253 -1.134 -9.305 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.727 0.027 -8.702 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.647 -0.346 -7.408 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.979 -1.765 -7.303 1.00 10.00 C HETATM 1176 CMC HEC A 158 -0.439 1.367 -9.308 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.027 0.349 -6.184 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.003 1.888 -6.309 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.024 -4.587 -7.110 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.588 -3.820 -6.036 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.778 -4.519 -4.851 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.350 -5.697 -5.148 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.580 -5.712 -6.590 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.465 -3.978 -3.381 1.00 10.00 C HETATM 1185 CAD HEC A 158 -2.862 -6.731 -4.114 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.302 -8.115 -4.345 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.271 -9.234 -4.676 1.00 10.00 C HETATM 1188 O1D HEC A 158 -4.201 -8.967 -5.484 1.00 10.00 O HETATM 1189 O2D HEC A 158 -3.137 -10.263 -3.975 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.406 -3.731 -3.302 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.061 -3.086 -3.187 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -1.714 -4.747 -2.650 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.288 1.254 -10.112 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -1.360 1.791 -9.708 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 -0.035 2.032 -8.545 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -0.747 -5.054 -14.669 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.515 -4.977 -14.853 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.502 -3.629 -15.422 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -3.291 -9.589 -11.909 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -4.841 -8.718 -11.977 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -3.442 -8.117 -12.898 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.578 -8.050 -5.157 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -1.751 -8.405 -3.450 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 0.531 2.190 -7.210 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.037 2.228 -6.368 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.476 2.333 -5.437 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -3.262 -0.351 -13.839 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -2.200 0.309 -12.573 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.970 0.794 -14.270 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.777 -10.269 -10.236 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -2.311 -10.554 -8.571 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -2.595 -6.398 -3.111 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -3.950 -6.772 -4.156 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.002 -9.168 -7.707 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.089 -9.454 -9.051 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.677 -2.148 -5.306 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.644 -0.266 -11.264 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.382 -6.379 -12.862 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.430 -7.642 -6.753 1.00 10.00 H new HETATM 0 HAC HEC A 158 0.466 -0.187 -5.343 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.449 -1.167 -14.523 1.00 10.00 H new HETATM 0 H2D HEC A 158 -3.888 -10.871 -4.139 1.00 10.00 H new HETATM 0 H2A HEC A 158 -2.519 -12.621 -8.257 1.00 10.00 H new