USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, 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 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 HAB : A 128 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= -3.02 K(o=-3,f=-7.3!) USER MOD Set 1.2: A 158 HEC O2D : rot 130:sc= -0.0139 USER MOD Set 2.1: A 12 ASN : amide:sc= 0.0282 K(o=0.028,f=-2.8!) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -139:sc= 0.114 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 30:sc= 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -10.8! C(o=-11!,f=-21!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -19:sc= -26.1! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 41:sc= 1.17 USER MOD Single : A 52 CYS SG : rot -46:sc= -22.3! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -3.76! C(o=-3.8!,f=-4.6!) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.883 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 131:sc= -20! USER MOD Single : A 65 CYS SG : rot 70:sc= -29.8! USER MOD Single : A 68 LYS NZ :NH3+ -99:sc= 0 (180deg=-0.563) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot 140:sc= 0 USER MOD Single : A 128 HEC O2A : rot 166:sc= -0.0444 USER MOD Single : A 128 HEC O2D : rot 170:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.554 -8.378 12.684 1.00 10.00 N ATOM 2 CA ALA A 1 3.821 -8.060 11.293 1.00 10.00 C ATOM 3 C ALA A 1 5.203 -7.412 11.178 1.00 10.00 C ATOM 4 O ALA A 1 6.012 -7.501 12.100 1.00 10.00 O ATOM 5 CB ALA A 1 2.708 -7.161 10.751 1.00 10.00 C ATOM 0 H1 ALA A 1 3.095 -9.309 12.745 1.00 10.00 H new ATOM 0 H2 ALA A 1 4.449 -8.397 13.214 1.00 10.00 H new ATOM 0 H3 ALA A 1 2.926 -7.656 13.091 1.00 10.00 H new ATOM 0 HA ALA A 1 3.831 -8.966 10.688 1.00 10.00 H new ATOM 0 HB1 ALA A 1 2.909 -6.923 9.707 1.00 10.00 H new ATOM 0 HB2 ALA A 1 1.752 -7.679 10.827 1.00 10.00 H new ATOM 0 HB3 ALA A 1 2.669 -6.240 11.332 1.00 10.00 H new ATOM 11 N ASP A 2 5.429 -6.774 10.039 1.00 10.00 N ATOM 12 CA ASP A 2 6.699 -6.111 9.792 1.00 10.00 C ATOM 13 C ASP A 2 6.899 -5.948 8.284 1.00 10.00 C ATOM 14 O ASP A 2 7.565 -5.014 7.840 1.00 10.00 O ATOM 15 CB ASP A 2 7.866 -6.935 10.338 1.00 10.00 C ATOM 16 CG ASP A 2 8.385 -6.494 11.707 1.00 10.00 C ATOM 17 OD1 ASP A 2 8.030 -5.365 12.112 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.125 -7.294 12.320 1.00 10.00 O ATOM 0 H ASP A 2 4.755 -6.702 9.277 1.00 10.00 H new ATOM 0 HA ASP A 2 6.677 -5.143 10.292 1.00 10.00 H new ATOM 0 HB2 ASP A 2 7.556 -7.978 10.403 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.688 -6.891 9.623 1.00 10.00 H new ATOM 23 N VAL A 3 6.310 -6.871 7.538 1.00 10.00 N ATOM 24 CA VAL A 3 6.415 -6.841 6.089 1.00 10.00 C ATOM 25 C VAL A 3 5.532 -7.940 5.495 1.00 10.00 C ATOM 26 O VAL A 3 5.611 -9.096 5.907 1.00 10.00 O ATOM 27 CB VAL A 3 7.882 -6.962 5.668 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.394 -8.390 5.868 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.076 -6.506 4.221 1.00 10.00 C ATOM 0 H VAL A 3 5.758 -7.644 7.910 1.00 10.00 H new ATOM 0 HA VAL A 3 6.055 -5.888 5.700 1.00 10.00 H new ATOM 0 HB VAL A 3 8.470 -6.304 6.308 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.438 -8.448 5.561 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.309 -8.663 6.920 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.800 -9.077 5.266 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.127 -6.602 3.947 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.470 -7.126 3.560 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.769 -5.465 4.123 1.00 10.00 H new ATOM 39 N VAL A 4 4.710 -7.540 4.536 1.00 10.00 N ATOM 40 CA VAL A 4 3.812 -8.476 3.880 1.00 10.00 C ATOM 41 C VAL A 4 4.261 -8.679 2.432 1.00 10.00 C ATOM 42 O VAL A 4 4.836 -7.777 1.825 1.00 10.00 O ATOM 43 CB VAL A 4 2.368 -7.983 3.995 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.493 -8.592 2.897 1.00 10.00 C ATOM 45 CG2 VAL A 4 1.795 -8.281 5.382 1.00 10.00 C ATOM 0 H VAL A 4 4.647 -6.580 4.197 1.00 10.00 H new ATOM 0 HA VAL A 4 3.850 -9.449 4.370 1.00 10.00 H new ATOM 0 HB VAL A 4 2.371 -6.901 3.860 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.472 -8.226 3.001 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.883 -8.306 1.920 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.500 -9.678 2.987 1.00 10.00 H new ATOM 0 HG21 VAL A 4 0.768 -7.920 5.437 1.00 10.00 H new ATOM 0 HG22 VAL A 4 1.812 -9.356 5.559 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.397 -7.779 6.140 1.00 10.00 H new ATOM 55 N THR A 5 3.984 -9.869 1.922 1.00 10.00 N ATOM 56 CA THR A 5 4.352 -10.203 0.556 1.00 10.00 C ATOM 57 C THR A 5 3.135 -10.717 -0.215 1.00 10.00 C ATOM 58 O THR A 5 2.566 -11.750 0.134 1.00 10.00 O ATOM 59 CB THR A 5 5.506 -11.206 0.609 1.00 10.00 C ATOM 60 OG1 THR A 5 6.646 -10.409 0.918 1.00 10.00 O ATOM 61 CG2 THR A 5 5.828 -11.801 -0.763 1.00 10.00 C ATOM 0 H THR A 5 3.509 -10.615 2.430 1.00 10.00 H new ATOM 0 HA THR A 5 4.693 -9.322 0.012 1.00 10.00 H new ATOM 0 HB THR A 5 5.257 -12.009 1.303 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.440 -10.981 0.973 1.00 10.00 H new ATOM 0 HG21 THR A 5 6.654 -12.506 -0.669 1.00 10.00 H new ATOM 0 HG22 THR A 5 4.951 -12.319 -1.150 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.109 -11.002 -1.449 1.00 10.00 H new ATOM 69 N TYR A 6 2.772 -9.972 -1.249 1.00 10.00 N ATOM 70 CA TYR A 6 1.632 -10.339 -2.072 1.00 10.00 C ATOM 71 C TYR A 6 2.081 -10.763 -3.472 1.00 10.00 C ATOM 72 O TYR A 6 2.178 -9.934 -4.375 1.00 10.00 O ATOM 73 CB TYR A 6 0.770 -9.081 -2.186 1.00 10.00 C ATOM 74 CG TYR A 6 -0.394 -9.032 -1.194 1.00 10.00 C ATOM 75 CD1 TYR A 6 -1.349 -10.028 -1.201 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.490 -7.991 -0.293 1.00 10.00 C ATOM 77 CE1 TYR A 6 -2.445 -9.983 -0.269 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.585 -7.946 0.640 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.509 -8.943 0.606 1.00 10.00 C ATOM 80 OH TYR A 6 -3.544 -8.900 1.487 1.00 10.00 O ATOM 0 H TYR A 6 3.247 -9.116 -1.536 1.00 10.00 H new ATOM 0 HA TYR A 6 1.093 -11.176 -1.628 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.401 -8.206 -2.033 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.373 -9.015 -3.199 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.274 -10.842 -1.907 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.256 -7.210 -0.288 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.199 -10.756 -0.264 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.671 -7.138 1.352 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.832 -9.813 1.699 1.00 10.00 H new ATOM 90 N GLU A 7 2.345 -12.055 -3.608 1.00 10.00 N ATOM 91 CA GLU A 7 2.781 -12.599 -4.883 1.00 10.00 C ATOM 92 C GLU A 7 1.572 -12.997 -5.732 1.00 10.00 C ATOM 93 O GLU A 7 0.732 -13.781 -5.294 1.00 10.00 O ATOM 94 CB GLU A 7 3.722 -13.789 -4.678 1.00 10.00 C ATOM 95 CG GLU A 7 5.044 -13.341 -4.053 1.00 10.00 C ATOM 96 CD GLU A 7 6.230 -14.041 -4.720 1.00 10.00 C ATOM 97 OE1 GLU A 7 6.189 -15.288 -4.786 1.00 10.00 O ATOM 98 OE2 GLU A 7 7.151 -13.312 -5.147 1.00 10.00 O ATOM 0 H GLU A 7 2.265 -12.740 -2.857 1.00 10.00 H new ATOM 0 HA GLU A 7 3.335 -11.826 -5.415 1.00 10.00 H new ATOM 0 HB2 GLU A 7 3.244 -14.529 -4.036 1.00 10.00 H new ATOM 0 HB3 GLU A 7 3.914 -14.274 -5.635 1.00 10.00 H new ATOM 0 HG2 GLU A 7 5.151 -12.261 -4.154 1.00 10.00 H new ATOM 0 HG3 GLU A 7 5.040 -13.562 -2.986 1.00 10.00 H new ATOM 105 N ASN A 8 1.522 -12.436 -6.932 1.00 10.00 N ATOM 106 CA ASN A 8 0.430 -12.723 -7.847 1.00 10.00 C ATOM 107 C ASN A 8 1.002 -13.079 -9.221 1.00 10.00 C ATOM 108 O ASN A 8 2.217 -13.150 -9.391 1.00 10.00 O ATOM 109 CB ASN A 8 -0.481 -11.505 -8.015 1.00 10.00 C ATOM 110 CG ASN A 8 0.341 -10.223 -8.175 1.00 10.00 C ATOM 111 OD1 ASN A 8 0.535 -9.713 -9.266 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.810 -9.736 -7.031 1.00 10.00 N ATOM 0 H ASN A 8 2.220 -11.785 -7.291 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.147 -13.551 -7.435 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -1.121 -11.642 -8.887 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -1.137 -11.415 -7.149 1.00 10.00 H new ATOM 0 HD21 ASN A 8 1.371 -8.884 -7.031 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.609 -10.214 -6.153 1.00 10.00 H new ATOM 119 N LYS A 9 0.096 -13.293 -10.165 1.00 10.00 N ATOM 120 CA LYS A 9 0.496 -13.640 -11.518 1.00 10.00 C ATOM 121 C LYS A 9 1.138 -12.422 -12.184 1.00 10.00 C ATOM 122 O LYS A 9 2.334 -12.426 -12.470 1.00 10.00 O ATOM 123 CB LYS A 9 -0.692 -14.211 -12.297 1.00 10.00 C ATOM 124 CG LYS A 9 -0.638 -15.740 -12.335 1.00 10.00 C ATOM 125 CD LYS A 9 -1.601 -16.348 -11.314 1.00 10.00 C ATOM 126 CE LYS A 9 -2.657 -17.213 -12.004 1.00 10.00 C ATOM 127 NZ LYS A 9 -3.655 -16.363 -12.692 1.00 10.00 N ATOM 0 H LYS A 9 -0.912 -13.233 -10.019 1.00 10.00 H new ATOM 0 HA LYS A 9 1.248 -14.429 -11.502 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.624 -13.888 -11.834 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -0.688 -13.818 -13.314 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -0.893 -16.092 -13.335 1.00 10.00 H new ATOM 0 HG3 LYS A 9 0.378 -16.077 -12.128 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -1.044 -16.951 -10.597 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -2.089 -15.553 -10.750 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -2.178 -17.877 -12.724 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.154 -17.846 -11.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.364 -16.966 -13.155 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.124 -15.747 -11.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -3.178 -15.778 -13.407 1.00 10.00 H new ATOM 141 N LYS A 10 0.316 -11.408 -12.411 1.00 10.00 N ATOM 142 CA LYS A 10 0.790 -10.186 -13.038 1.00 10.00 C ATOM 143 C LYS A 10 2.171 -9.835 -12.483 1.00 10.00 C ATOM 144 O LYS A 10 3.184 -10.039 -13.151 1.00 10.00 O ATOM 145 CB LYS A 10 -0.241 -9.067 -12.876 1.00 10.00 C ATOM 146 CG LYS A 10 -0.119 -8.042 -14.005 1.00 10.00 C ATOM 147 CD LYS A 10 -1.328 -8.109 -14.939 1.00 10.00 C ATOM 148 CE LYS A 10 -0.948 -8.730 -16.284 1.00 10.00 C ATOM 149 NZ LYS A 10 -2.078 -8.639 -17.236 1.00 10.00 N ATOM 0 H LYS A 10 -0.676 -11.408 -12.172 1.00 10.00 H new ATOM 0 HA LYS A 10 0.906 -10.329 -14.112 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -1.245 -9.491 -12.872 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -0.099 -8.573 -11.915 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.035 -7.040 -13.584 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.794 -8.227 -14.572 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -2.119 -8.697 -14.474 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.726 -7.107 -15.097 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -0.077 -8.218 -16.694 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -0.667 -9.774 -16.143 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -1.802 -9.065 -18.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -2.899 -9.147 -16.850 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -2.327 -7.640 -17.384 1.00 10.00 H new ATOM 163 N GLY A 11 2.169 -9.314 -11.265 1.00 10.00 N ATOM 164 CA GLY A 11 3.410 -8.933 -10.611 1.00 10.00 C ATOM 165 C GLY A 11 3.221 -8.821 -9.097 1.00 10.00 C ATOM 166 O GLY A 11 2.313 -8.137 -8.630 1.00 10.00 O ATOM 0 H GLY A 11 1.328 -9.147 -10.713 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.182 -9.670 -10.831 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.757 -7.979 -11.009 1.00 10.00 H new ATOM 170 N ASN A 12 4.094 -9.506 -8.372 1.00 10.00 N ATOM 171 CA ASN A 12 4.035 -9.493 -6.921 1.00 10.00 C ATOM 172 C ASN A 12 4.167 -8.051 -6.423 1.00 10.00 C ATOM 173 O ASN A 12 4.983 -7.287 -6.934 1.00 10.00 O ATOM 174 CB ASN A 12 5.178 -10.308 -6.315 1.00 10.00 C ATOM 175 CG ASN A 12 6.536 -9.793 -6.797 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.865 -9.838 -7.971 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.303 -9.300 -5.829 1.00 10.00 N ATOM 0 H ASN A 12 4.846 -10.073 -8.763 1.00 10.00 H new ATOM 0 HA ASN A 12 3.083 -9.928 -6.619 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.130 -10.255 -5.227 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.065 -11.357 -6.588 1.00 10.00 H new ATOM 0 HD21 ASN A 12 8.227 -8.930 -6.050 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.967 -9.292 -4.866 1.00 10.00 H new ATOM 184 N VAL A 13 3.352 -7.726 -5.431 1.00 10.00 N ATOM 185 CA VAL A 13 3.367 -6.390 -4.858 1.00 10.00 C ATOM 186 C VAL A 13 3.722 -6.481 -3.372 1.00 10.00 C ATOM 187 O VAL A 13 2.840 -6.436 -2.515 1.00 10.00 O ATOM 188 CB VAL A 13 2.027 -5.696 -5.110 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.863 -6.558 -4.618 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.996 -4.311 -4.462 1.00 10.00 C ATOM 0 H VAL A 13 2.677 -8.364 -5.009 1.00 10.00 H new ATOM 0 HA VAL A 13 4.130 -5.778 -5.339 1.00 10.00 H new ATOM 0 HB VAL A 13 1.915 -5.564 -6.186 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.078 -6.042 -4.809 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.868 -7.511 -5.146 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.969 -6.736 -3.548 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.033 -3.840 -4.656 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.141 -4.409 -3.386 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.792 -3.695 -4.881 1.00 10.00 H new ATOM 200 N THR A 14 5.015 -6.608 -3.112 1.00 10.00 N ATOM 201 CA THR A 14 5.498 -6.707 -1.745 1.00 10.00 C ATOM 202 C THR A 14 5.016 -5.511 -0.923 1.00 10.00 C ATOM 203 O THR A 14 4.888 -4.404 -1.444 1.00 10.00 O ATOM 204 CB THR A 14 7.021 -6.839 -1.789 1.00 10.00 C ATOM 205 OG1 THR A 14 7.241 -8.150 -2.304 1.00 10.00 O ATOM 206 CG2 THR A 14 7.648 -6.876 -0.394 1.00 10.00 C ATOM 0 H THR A 14 5.743 -6.645 -3.825 1.00 10.00 H new ATOM 0 HA THR A 14 5.096 -7.589 -1.246 1.00 10.00 H new ATOM 0 HB THR A 14 7.441 -6.005 -2.352 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.204 -8.319 -2.367 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.730 -6.971 -0.484 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.407 -5.956 0.138 1.00 10.00 H new ATOM 0 HG23 THR A 14 7.254 -7.728 0.159 1.00 10.00 H new ATOM 214 N PHE A 15 4.761 -5.773 0.352 1.00 10.00 N ATOM 215 CA PHE A 15 4.296 -4.732 1.251 1.00 10.00 C ATOM 216 C PHE A 15 5.336 -4.438 2.334 1.00 10.00 C ATOM 217 O PHE A 15 6.452 -4.951 2.283 1.00 10.00 O ATOM 218 CB PHE A 15 3.019 -5.252 1.915 1.00 10.00 C ATOM 219 CG PHE A 15 1.750 -5.020 1.092 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.845 -4.672 -0.218 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.529 -5.163 1.672 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.667 -4.457 -0.983 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.648 -4.947 0.908 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.554 -4.599 -0.403 1.00 10.00 C ATOM 0 H PHE A 15 4.868 -6.692 0.782 1.00 10.00 H new ATOM 0 HA PHE A 15 4.120 -3.811 0.695 1.00 10.00 H new ATOM 0 HB2 PHE A 15 3.128 -6.320 2.102 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.904 -4.769 2.885 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.816 -4.559 -0.678 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.454 -5.441 2.713 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.742 -4.181 -2.024 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.618 -5.059 1.368 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.450 -4.435 -0.984 1.00 10.00 H new ATOM 234 N ASP A 16 4.933 -3.613 3.289 1.00 10.00 N ATOM 235 CA ASP A 16 5.816 -3.244 4.382 1.00 10.00 C ATOM 236 C ASP A 16 4.979 -2.753 5.565 1.00 10.00 C ATOM 237 O ASP A 16 4.144 -1.863 5.413 1.00 10.00 O ATOM 238 CB ASP A 16 6.760 -2.113 3.970 1.00 10.00 C ATOM 239 CG ASP A 16 7.747 -2.467 2.856 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.626 -3.315 3.124 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.600 -1.883 1.761 1.00 10.00 O ATOM 0 H ASP A 16 4.006 -3.189 3.328 1.00 10.00 H new ATOM 0 HA ASP A 16 6.402 -4.122 4.653 1.00 10.00 H new ATOM 0 HB2 ASP A 16 6.162 -1.261 3.648 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.324 -1.794 4.846 1.00 10.00 H new ATOM 246 N HIS A 17 5.232 -3.356 6.718 1.00 10.00 N ATOM 247 CA HIS A 17 4.512 -2.991 7.927 1.00 10.00 C ATOM 248 C HIS A 17 5.407 -2.126 8.815 1.00 10.00 C ATOM 249 O HIS A 17 4.946 -1.145 9.399 1.00 10.00 O ATOM 250 CB HIS A 17 3.991 -4.238 8.644 1.00 10.00 C ATOM 251 CG HIS A 17 2.490 -4.269 8.809 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.722 -5.366 8.463 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.627 -3.328 9.287 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.453 -5.087 8.724 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.396 -3.822 9.234 1.00 10.00 N ATOM 0 H HIS A 17 5.925 -4.094 6.841 1.00 10.00 H new ATOM 0 HA HIS A 17 3.635 -2.398 7.669 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.304 -5.122 8.088 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.456 -4.300 9.628 1.00 10.00 H new ATOM 0 HD1 HIS A 17 2.073 -6.241 8.073 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.899 -2.347 9.648 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.388 -5.745 8.562 1.00 10.00 H new ATOM 263 N LYS A 18 6.670 -2.518 8.891 1.00 10.00 N ATOM 264 CA LYS A 18 7.634 -1.791 9.699 1.00 10.00 C ATOM 265 C LYS A 18 8.515 -0.935 8.786 1.00 10.00 C ATOM 266 O LYS A 18 9.044 0.091 9.212 1.00 10.00 O ATOM 267 CB LYS A 18 8.422 -2.753 10.589 1.00 10.00 C ATOM 268 CG LYS A 18 9.208 -1.992 11.658 1.00 10.00 C ATOM 269 CD LYS A 18 10.609 -2.581 11.834 1.00 10.00 C ATOM 270 CE LYS A 18 11.657 -1.474 11.963 1.00 10.00 C ATOM 271 NZ LYS A 18 12.401 -1.611 13.236 1.00 10.00 N ATOM 0 H LYS A 18 7.049 -3.331 8.405 1.00 10.00 H new ATOM 0 HA LYS A 18 7.124 -1.110 10.380 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.738 -3.455 11.066 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.107 -3.341 9.978 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.284 -0.941 11.379 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.671 -2.032 12.606 1.00 10.00 H new ATOM 0 HD2 LYS A 18 10.632 -3.214 12.721 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.850 -3.217 10.982 1.00 10.00 H new ATOM 0 HE2 LYS A 18 12.350 -1.521 11.123 1.00 10.00 H new ATOM 0 HE3 LYS A 18 11.172 -0.499 11.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 13.108 -0.852 13.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 11.738 -1.543 14.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 12.880 -2.534 13.261 1.00 10.00 H new ATOM 285 N ALA A 19 8.646 -1.388 7.549 1.00 10.00 N ATOM 286 CA ALA A 19 9.454 -0.677 6.572 1.00 10.00 C ATOM 287 C ALA A 19 8.699 0.568 6.102 1.00 10.00 C ATOM 288 O ALA A 19 9.312 1.545 5.675 1.00 10.00 O ATOM 289 CB ALA A 19 9.805 -1.617 5.417 1.00 10.00 C ATOM 0 H ALA A 19 8.206 -2.239 7.200 1.00 10.00 H new ATOM 0 HA ALA A 19 10.392 -0.346 7.018 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.411 -1.083 4.685 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.366 -2.470 5.800 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.889 -1.969 4.943 1.00 10.00 H new ATOM 295 N HIS A 20 7.380 0.492 6.197 1.00 10.00 N ATOM 296 CA HIS A 20 6.535 1.601 5.786 1.00 10.00 C ATOM 297 C HIS A 20 6.159 2.440 7.008 1.00 10.00 C ATOM 298 O HIS A 20 6.421 3.641 7.045 1.00 10.00 O ATOM 299 CB HIS A 20 5.314 1.096 5.014 1.00 10.00 C ATOM 300 CG HIS A 20 5.428 1.247 3.516 1.00 10.00 C ATOM 301 ND1 HIS A 20 4.881 0.337 2.628 1.00 10.00 N ATOM 302 CD2 HIS A 20 6.031 2.209 2.760 1.00 10.00 C ATOM 303 CE1 HIS A 20 5.149 0.743 1.396 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.862 1.904 1.480 1.00 10.00 N ATOM 0 H HIS A 20 6.875 -0.320 6.552 1.00 10.00 H new ATOM 0 HA HIS A 20 7.084 2.247 5.101 1.00 10.00 H new ATOM 0 HB2 HIS A 20 5.156 0.044 5.252 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.431 1.636 5.357 1.00 10.00 H new ATOM 0 HD1 HIS A 20 4.360 -0.503 2.880 1.00 10.00 H new ATOM 0 HD2 HIS A 20 6.557 3.073 3.139 1.00 10.00 H new ATOM 0 HE1 HIS A 20 4.855 0.243 0.485 1.00 10.00 H new ATOM 312 N ALA A 21 5.553 1.774 7.980 1.00 10.00 N ATOM 313 CA ALA A 21 5.138 2.444 9.200 1.00 10.00 C ATOM 314 C ALA A 21 6.215 3.448 9.618 1.00 10.00 C ATOM 315 O ALA A 21 5.909 4.595 9.938 1.00 10.00 O ATOM 316 CB ALA A 21 4.862 1.401 10.287 1.00 10.00 C ATOM 0 H ALA A 21 5.340 0.777 7.947 1.00 10.00 H new ATOM 0 HA ALA A 21 4.214 2.999 9.037 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.551 1.904 11.203 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.070 0.730 9.954 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.768 0.827 10.479 1.00 10.00 H new ATOM 322 N GLU A 22 7.454 2.979 9.599 1.00 10.00 N ATOM 323 CA GLU A 22 8.579 3.821 9.972 1.00 10.00 C ATOM 324 C GLU A 22 8.354 5.253 9.481 1.00 10.00 C ATOM 325 O GLU A 22 8.779 6.208 10.129 1.00 10.00 O ATOM 326 CB GLU A 22 9.892 3.255 9.427 1.00 10.00 C ATOM 327 CG GLU A 22 10.010 3.498 7.921 1.00 10.00 C ATOM 328 CD GLU A 22 11.414 3.149 7.418 1.00 10.00 C ATOM 329 OE1 GLU A 22 11.859 2.020 7.715 1.00 10.00 O ATOM 330 OE2 GLU A 22 12.009 4.021 6.748 1.00 10.00 O ATOM 0 H GLU A 22 7.704 2.027 9.331 1.00 10.00 H new ATOM 0 HA GLU A 22 8.652 3.837 11.059 1.00 10.00 H new ATOM 0 HB2 GLU A 22 10.734 3.719 9.941 1.00 10.00 H new ATOM 0 HB3 GLU A 22 9.944 2.186 9.632 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.270 2.896 7.393 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.789 4.542 7.699 1.00 10.00 H new ATOM 337 N LYS A 23 7.686 5.356 8.342 1.00 10.00 N ATOM 338 CA LYS A 23 7.400 6.656 7.758 1.00 10.00 C ATOM 339 C LYS A 23 5.903 6.946 7.879 1.00 10.00 C ATOM 340 O LYS A 23 5.506 7.925 8.508 1.00 10.00 O ATOM 341 CB LYS A 23 7.925 6.725 6.322 1.00 10.00 C ATOM 342 CG LYS A 23 9.401 7.128 6.298 1.00 10.00 C ATOM 343 CD LYS A 23 9.560 8.610 5.953 1.00 10.00 C ATOM 344 CE LYS A 23 10.979 8.912 5.469 1.00 10.00 C ATOM 345 NZ LYS A 23 10.986 10.103 4.592 1.00 10.00 N ATOM 0 H LYS A 23 7.335 4.561 7.808 1.00 10.00 H new ATOM 0 HA LYS A 23 7.923 7.442 8.303 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.801 5.756 5.838 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.338 7.444 5.750 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.852 6.927 7.270 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.935 6.521 5.567 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.842 8.886 5.181 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.334 9.217 6.830 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.633 9.080 6.325 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.375 8.053 4.928 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 11.957 10.293 4.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 10.378 9.930 3.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 10.628 10.925 5.119 1.00 10.00 H new ATOM 359 N LEU A 24 5.112 6.078 7.266 1.00 10.00 N ATOM 360 CA LEU A 24 3.668 6.228 7.298 1.00 10.00 C ATOM 361 C LEU A 24 3.233 6.645 8.704 1.00 10.00 C ATOM 362 O LEU A 24 2.926 7.812 8.942 1.00 10.00 O ATOM 363 CB LEU A 24 2.985 4.953 6.795 1.00 10.00 C ATOM 364 CG LEU A 24 3.029 4.720 5.283 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.466 4.499 4.805 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.106 3.569 4.879 1.00 10.00 C ATOM 0 H LEU A 24 5.445 5.267 6.744 1.00 10.00 H new ATOM 0 HA LEU A 24 3.353 7.020 6.619 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.448 4.098 7.288 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.941 4.976 7.109 1.00 10.00 H new ATOM 0 HG LEU A 24 2.659 5.617 4.787 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.470 4.336 3.727 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.067 5.377 5.041 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.886 3.627 5.306 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.156 3.424 3.800 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.422 2.655 5.383 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.082 3.806 5.166 1.00 10.00 H new ATOM 378 N GLY A 25 3.222 5.668 9.599 1.00 10.00 N ATOM 379 CA GLY A 25 2.831 5.919 10.975 1.00 10.00 C ATOM 380 C GLY A 25 1.590 5.106 11.350 1.00 10.00 C ATOM 381 O GLY A 25 0.952 5.372 12.367 1.00 10.00 O ATOM 0 H GLY A 25 3.478 4.701 9.398 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.653 5.663 11.643 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.629 6.981 11.111 1.00 10.00 H new ATOM 385 N CYS A 26 1.286 4.129 10.508 1.00 10.00 N ATOM 386 CA CYS A 26 0.133 3.275 10.737 1.00 10.00 C ATOM 387 C CYS A 26 -1.130 4.073 10.410 1.00 10.00 C ATOM 388 O CYS A 26 -1.823 3.776 9.439 1.00 10.00 O ATOM 389 CB CYS A 26 0.109 2.729 12.167 1.00 10.00 C ATOM 390 SG CYS A 26 1.753 2.563 12.952 1.00 10.00 S ATOM 0 H CYS A 26 1.818 3.910 9.666 1.00 10.00 H new ATOM 0 HA CYS A 26 0.189 2.403 10.085 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.507 3.386 12.781 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.375 1.752 12.160 1.00 10.00 H new ATOM 395 N ASP A 27 -1.391 5.073 11.241 1.00 10.00 N ATOM 396 CA ASP A 27 -2.558 5.916 11.052 1.00 10.00 C ATOM 397 C ASP A 27 -2.671 6.301 9.575 1.00 10.00 C ATOM 398 O ASP A 27 -3.764 6.573 9.082 1.00 10.00 O ATOM 399 CB ASP A 27 -2.443 7.205 11.868 1.00 10.00 C ATOM 400 CG ASP A 27 -3.035 7.133 13.278 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.270 6.966 13.367 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.237 7.246 14.233 1.00 10.00 O ATOM 0 H ASP A 27 -0.814 5.317 12.046 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.434 5.357 11.380 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.390 7.475 11.946 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.939 8.008 11.323 1.00 10.00 H new ATOM 407 N ALA A 28 -1.525 6.312 8.910 1.00 10.00 N ATOM 408 CA ALA A 28 -1.481 6.658 7.499 1.00 10.00 C ATOM 409 C ALA A 28 -2.444 5.756 6.727 1.00 10.00 C ATOM 410 O ALA A 28 -3.114 6.207 5.799 1.00 10.00 O ATOM 411 CB ALA A 28 -0.043 6.547 6.991 1.00 10.00 C ATOM 0 H ALA A 28 -0.620 6.087 9.322 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.802 7.689 7.346 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.010 6.806 5.933 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.595 7.230 7.552 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.313 5.525 7.125 1.00 10.00 H new ATOM 417 N CYS A 29 -2.483 4.497 7.138 1.00 10.00 N ATOM 418 CA CYS A 29 -3.354 3.527 6.496 1.00 10.00 C ATOM 419 C CYS A 29 -4.534 3.247 7.430 1.00 10.00 C ATOM 420 O CYS A 29 -5.688 3.426 7.047 1.00 10.00 O ATOM 421 CB CYS A 29 -2.601 2.246 6.129 1.00 10.00 C ATOM 422 SG CYS A 29 -0.982 2.513 5.319 1.00 10.00 S ATOM 0 H CYS A 29 -1.926 4.126 7.908 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.725 3.935 5.556 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.446 1.660 7.035 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.229 1.649 5.467 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.932 3.719 4.837 1.00 10.00 H new ATOM 427 N HIS A 30 -4.201 2.813 8.637 1.00 10.00 N ATOM 428 CA HIS A 30 -5.219 2.507 9.627 1.00 10.00 C ATOM 429 C HIS A 30 -5.707 3.803 10.279 1.00 10.00 C ATOM 430 O HIS A 30 -5.224 4.886 9.953 1.00 10.00 O ATOM 431 CB HIS A 30 -4.697 1.492 10.647 1.00 10.00 C ATOM 432 CG HIS A 30 -4.189 0.210 10.031 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.934 -0.955 10.001 1.00 10.00 N ATOM 434 CD2 HIS A 30 -3.002 -0.076 9.421 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.219 -1.894 9.399 1.00 10.00 C ATOM 436 NE2 HIS A 30 -3.022 -1.348 9.041 1.00 10.00 N ATOM 0 H HIS A 30 -3.242 2.666 8.951 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.075 2.040 9.140 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.893 1.951 11.222 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.496 1.254 11.350 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.874 -1.071 10.378 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.185 0.615 9.273 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.530 -2.913 9.223 1.00 10.00 H new ATOM 444 N GLU A 31 -6.660 3.649 11.186 1.00 10.00 N ATOM 445 CA GLU A 31 -7.218 4.793 11.887 1.00 10.00 C ATOM 446 C GLU A 31 -7.816 4.356 13.225 1.00 10.00 C ATOM 447 O GLU A 31 -8.954 3.892 13.279 1.00 10.00 O ATOM 448 CB GLU A 31 -8.264 5.505 11.025 1.00 10.00 C ATOM 449 CG GLU A 31 -8.728 6.804 11.689 1.00 10.00 C ATOM 450 CD GLU A 31 -9.945 7.384 10.966 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.016 7.194 9.732 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.778 8.002 11.663 1.00 10.00 O ATOM 0 H GLU A 31 -7.060 2.749 11.452 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.414 5.501 12.086 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -7.844 5.724 10.043 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.119 4.848 10.867 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.977 6.614 12.733 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.916 7.531 11.682 1.00 10.00 H new ATOM 459 N GLY A 32 -7.023 4.520 14.274 1.00 10.00 N ATOM 460 CA GLY A 32 -7.460 4.148 15.608 1.00 10.00 C ATOM 461 C GLY A 32 -7.822 2.664 15.673 1.00 10.00 C ATOM 462 O GLY A 32 -8.931 2.275 15.308 1.00 10.00 O ATOM 0 H GLY A 32 -6.080 4.906 14.226 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.670 4.365 16.327 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.324 4.749 15.892 1.00 10.00 H new ATOM 466 N THR A 33 -6.867 1.873 16.140 1.00 10.00 N ATOM 467 CA THR A 33 -7.072 0.440 16.257 1.00 10.00 C ATOM 468 C THR A 33 -7.189 -0.198 14.871 1.00 10.00 C ATOM 469 O THR A 33 -8.219 -0.073 14.211 1.00 10.00 O ATOM 470 CB THR A 33 -8.302 0.209 17.137 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.001 0.904 18.344 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.444 -1.251 17.573 1.00 10.00 C ATOM 0 H THR A 33 -5.949 2.198 16.442 1.00 10.00 H new ATOM 0 HA THR A 33 -6.218 -0.044 16.732 1.00 10.00 H new ATOM 0 HB THR A 33 -9.198 0.515 16.596 1.00 10.00 H new ATOM 0 HG1 THR A 33 -8.747 0.808 18.972 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.332 -1.360 18.195 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.537 -1.886 16.692 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.563 -1.548 18.143 1.00 10.00 H new ATOM 480 N PRO A 34 -6.089 -0.884 14.459 1.00 10.00 N ATOM 481 CA PRO A 34 -6.057 -1.541 13.164 1.00 10.00 C ATOM 482 C PRO A 34 -6.894 -2.822 13.178 1.00 10.00 C ATOM 483 O PRO A 34 -7.552 -3.126 14.172 1.00 10.00 O ATOM 484 CB PRO A 34 -4.585 -1.796 12.888 1.00 10.00 C ATOM 485 CG PRO A 34 -3.885 -1.697 14.234 1.00 10.00 C ATOM 486 CD PRO A 34 -4.850 -1.052 15.214 1.00 10.00 C ATOM 0 HA PRO A 34 -6.497 -0.933 12.373 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.436 -2.779 12.442 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.187 -1.064 12.186 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.589 -2.686 14.584 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.975 -1.104 14.148 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.003 -1.681 16.091 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.471 -0.094 15.571 1.00 10.00 H new ATOM 494 N ALA A 35 -6.842 -3.537 12.064 1.00 10.00 N ATOM 495 CA ALA A 35 -7.587 -4.778 11.936 1.00 10.00 C ATOM 496 C ALA A 35 -7.303 -5.399 10.567 1.00 10.00 C ATOM 497 O ALA A 35 -6.974 -6.580 10.473 1.00 10.00 O ATOM 498 CB ALA A 35 -9.076 -4.504 12.155 1.00 10.00 C ATOM 0 H ALA A 35 -6.296 -3.281 11.242 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.273 -5.495 12.694 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.635 -5.435 12.059 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.227 -4.091 13.152 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.428 -3.791 11.410 1.00 10.00 H new ATOM 504 N LYS A 36 -7.443 -4.574 9.538 1.00 10.00 N ATOM 505 CA LYS A 36 -7.206 -5.028 8.179 1.00 10.00 C ATOM 506 C LYS A 36 -7.361 -3.847 7.218 1.00 10.00 C ATOM 507 O LYS A 36 -7.501 -2.705 7.651 1.00 10.00 O ATOM 508 CB LYS A 36 -8.111 -6.215 7.844 1.00 10.00 C ATOM 509 CG LYS A 36 -9.498 -5.741 7.408 1.00 10.00 C ATOM 510 CD LYS A 36 -9.793 -6.162 5.966 1.00 10.00 C ATOM 511 CE LYS A 36 -10.182 -7.639 5.895 1.00 10.00 C ATOM 512 NZ LYS A 36 -11.445 -7.807 5.143 1.00 10.00 N ATOM 0 H LYS A 36 -7.717 -3.595 9.619 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.185 -5.396 8.073 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.659 -6.808 7.049 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.202 -6.865 8.715 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.254 -6.157 8.074 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.559 -4.656 7.494 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.600 -5.550 5.563 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -8.916 -5.983 5.344 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.387 -8.208 5.413 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.296 -8.040 6.902 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -11.694 -8.816 5.104 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -12.205 -7.280 5.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.324 -7.443 4.176 1.00 10.00 H new ATOM 526 N ILE A 37 -7.329 -4.165 5.932 1.00 10.00 N ATOM 527 CA ILE A 37 -7.464 -3.144 4.906 1.00 10.00 C ATOM 528 C ILE A 37 -8.030 -3.777 3.634 1.00 10.00 C ATOM 529 O ILE A 37 -7.918 -4.986 3.435 1.00 10.00 O ATOM 530 CB ILE A 37 -6.133 -2.420 4.692 1.00 10.00 C ATOM 531 CG1 ILE A 37 -5.695 -1.691 5.963 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.207 -1.479 3.488 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.474 -0.809 5.698 1.00 10.00 C ATOM 0 H ILE A 37 -7.212 -5.114 5.577 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.171 -2.377 5.223 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.371 -3.167 4.470 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.516 -1.079 6.336 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.461 -2.418 6.741 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.248 -0.977 3.359 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.440 -2.053 2.591 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -6.986 -0.735 3.655 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.184 -0.303 6.619 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.647 -1.428 5.348 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -4.719 -0.067 4.938 1.00 10.00 H new ATOM 545 N ALA A 38 -8.627 -2.933 2.805 1.00 10.00 N ATOM 546 CA ALA A 38 -9.211 -3.395 1.558 1.00 10.00 C ATOM 547 C ALA A 38 -8.103 -3.581 0.519 1.00 10.00 C ATOM 548 O ALA A 38 -7.681 -2.620 -0.122 1.00 10.00 O ATOM 549 CB ALA A 38 -10.281 -2.404 1.098 1.00 10.00 C ATOM 0 H ALA A 38 -8.719 -1.931 2.973 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.698 -4.360 1.696 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.719 -2.750 0.162 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.059 -2.330 1.858 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -9.828 -1.424 0.946 1.00 10.00 H new ATOM 555 N ILE A 39 -7.664 -4.824 0.385 1.00 10.00 N ATOM 556 CA ILE A 39 -6.613 -5.148 -0.565 1.00 10.00 C ATOM 557 C ILE A 39 -7.002 -6.411 -1.337 1.00 10.00 C ATOM 558 O ILE A 39 -7.069 -7.498 -0.764 1.00 10.00 O ATOM 559 CB ILE A 39 -5.262 -5.252 0.146 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.008 -4.026 1.025 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.131 -5.481 -0.860 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.460 -2.863 0.198 1.00 10.00 C ATOM 0 H ILE A 39 -8.017 -5.619 0.918 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.500 -4.349 -1.297 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.288 -6.119 0.805 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.935 -3.725 1.512 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.301 -4.280 1.815 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.181 -5.551 -0.330 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.311 -6.407 -1.406 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.094 -4.648 -1.562 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.288 -2.004 0.847 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.520 -3.159 -0.268 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -5.180 -2.595 -0.575 1.00 10.00 H new ATOM 574 N ASP A 40 -7.247 -6.227 -2.626 1.00 10.00 N ATOM 575 CA ASP A 40 -7.626 -7.337 -3.482 1.00 10.00 C ATOM 576 C ASP A 40 -7.509 -6.910 -4.947 1.00 10.00 C ATOM 577 O ASP A 40 -6.696 -7.454 -5.693 1.00 10.00 O ATOM 578 CB ASP A 40 -9.075 -7.758 -3.228 1.00 10.00 C ATOM 579 CG ASP A 40 -9.586 -8.891 -4.121 1.00 10.00 C ATOM 580 OD1 ASP A 40 -8.745 -9.465 -4.846 1.00 10.00 O ATOM 581 OD2 ASP A 40 -10.806 -9.156 -4.059 1.00 10.00 O ATOM 0 H ASP A 40 -7.190 -5.325 -3.098 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.962 -8.173 -3.262 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -9.171 -8.065 -2.187 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.719 -6.889 -3.365 1.00 10.00 H new ATOM 586 N LYS A 41 -8.333 -5.940 -5.315 1.00 10.00 N ATOM 587 CA LYS A 41 -8.332 -5.432 -6.677 1.00 10.00 C ATOM 588 C LYS A 41 -8.591 -3.925 -6.656 1.00 10.00 C ATOM 589 O LYS A 41 -7.801 -3.163 -6.101 1.00 10.00 O ATOM 590 CB LYS A 41 -9.323 -6.216 -7.540 1.00 10.00 C ATOM 591 CG LYS A 41 -9.186 -5.833 -9.016 1.00 10.00 C ATOM 592 CD LYS A 41 -10.384 -6.331 -9.824 1.00 10.00 C ATOM 593 CE LYS A 41 -10.851 -5.271 -10.824 1.00 10.00 C ATOM 594 NZ LYS A 41 -12.201 -5.597 -11.335 1.00 10.00 N ATOM 0 H LYS A 41 -9.006 -5.492 -4.694 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.356 -5.580 -7.139 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -9.149 -7.285 -7.420 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -10.340 -6.019 -7.202 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -9.105 -4.750 -9.108 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -8.267 -6.257 -9.422 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -10.114 -7.244 -10.356 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -11.202 -6.585 -9.149 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -10.864 -4.292 -10.345 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -10.147 -5.211 -11.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -12.502 -4.867 -12.012 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -12.178 -6.522 -11.810 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -12.873 -5.632 -10.542 1.00 10.00 H new ATOM 608 N LYS A 42 -9.703 -3.540 -7.267 1.00 10.00 N ATOM 609 CA LYS A 42 -10.077 -2.137 -7.325 1.00 10.00 C ATOM 610 C LYS A 42 -9.689 -1.455 -6.012 1.00 10.00 C ATOM 611 O LYS A 42 -9.111 -0.370 -6.019 1.00 10.00 O ATOM 612 CB LYS A 42 -11.558 -1.993 -7.679 1.00 10.00 C ATOM 613 CG LYS A 42 -11.736 -1.592 -9.145 1.00 10.00 C ATOM 614 CD LYS A 42 -11.388 -0.118 -9.356 1.00 10.00 C ATOM 615 CE LYS A 42 -10.103 0.032 -10.174 1.00 10.00 C ATOM 616 NZ LYS A 42 -10.387 0.683 -11.473 1.00 10.00 N ATOM 0 H LYS A 42 -10.356 -4.175 -7.726 1.00 10.00 H new ATOM 0 HA LYS A 42 -9.532 -1.629 -8.121 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.074 -2.935 -7.491 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.018 -1.244 -7.035 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -11.100 -2.213 -9.775 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.766 -1.774 -9.453 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -12.209 0.383 -9.868 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -11.268 0.373 -8.390 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -9.377 0.623 -9.616 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -9.656 -0.948 -10.342 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -9.504 0.777 -12.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -11.063 0.104 -12.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -10.793 1.626 -11.307 1.00 10.00 H new ATOM 630 N SER A 43 -10.023 -2.121 -4.916 1.00 10.00 N ATOM 631 CA SER A 43 -9.717 -1.592 -3.597 1.00 10.00 C ATOM 632 C SER A 43 -8.244 -1.185 -3.526 1.00 10.00 C ATOM 633 O SER A 43 -7.928 -0.011 -3.343 1.00 10.00 O ATOM 634 CB SER A 43 -10.038 -2.614 -2.505 1.00 10.00 C ATOM 635 OG SER A 43 -11.309 -3.228 -2.708 1.00 10.00 O ATOM 0 H SER A 43 -10.502 -3.021 -4.914 1.00 10.00 H new ATOM 0 HA SER A 43 -10.339 -0.713 -3.428 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.263 -3.381 -2.486 1.00 10.00 H new ATOM 0 HB3 SER A 43 -10.024 -2.122 -1.532 1.00 10.00 H new ATOM 0 HG SER A 43 -11.478 -3.875 -1.992 1.00 10.00 H new ATOM 641 N ALA A 44 -7.380 -2.180 -3.674 1.00 10.00 N ATOM 642 CA ALA A 44 -5.948 -1.941 -3.628 1.00 10.00 C ATOM 643 C ALA A 44 -5.570 -0.928 -4.711 1.00 10.00 C ATOM 644 O ALA A 44 -4.489 -0.343 -4.669 1.00 10.00 O ATOM 645 CB ALA A 44 -5.203 -3.268 -3.785 1.00 10.00 C ATOM 0 H ALA A 44 -7.645 -3.153 -3.826 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.660 -1.518 -2.666 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.128 -3.088 -3.750 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.485 -3.941 -2.975 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.465 -3.721 -4.741 1.00 10.00 H new ATOM 651 N HIS A 45 -6.482 -0.751 -5.656 1.00 10.00 N ATOM 652 CA HIS A 45 -6.258 0.180 -6.747 1.00 10.00 C ATOM 653 C HIS A 45 -7.002 1.487 -6.468 1.00 10.00 C ATOM 654 O HIS A 45 -6.968 2.411 -7.280 1.00 10.00 O ATOM 655 CB HIS A 45 -6.646 -0.449 -8.088 1.00 10.00 C ATOM 656 CG HIS A 45 -5.559 -1.296 -8.705 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.568 -1.671 -10.037 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.431 -1.835 -8.160 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.489 -2.404 -10.272 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.786 -2.505 -9.108 1.00 10.00 N ATOM 0 H HIS A 45 -7.378 -1.237 -5.688 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.196 0.415 -6.816 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.535 -1.063 -7.946 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.915 0.344 -8.786 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.283 -1.425 -10.721 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.116 -1.734 -7.132 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.215 -2.844 -11.219 1.00 10.00 H new ATOM 668 N LYS A 46 -7.659 1.523 -5.318 1.00 10.00 N ATOM 669 CA LYS A 46 -8.412 2.700 -4.922 1.00 10.00 C ATOM 670 C LYS A 46 -7.676 3.412 -3.785 1.00 10.00 C ATOM 671 O LYS A 46 -6.472 3.230 -3.610 1.00 10.00 O ATOM 672 CB LYS A 46 -9.855 2.324 -4.579 1.00 10.00 C ATOM 673 CG LYS A 46 -10.846 3.208 -5.338 1.00 10.00 C ATOM 674 CD LYS A 46 -12.144 2.452 -5.627 1.00 10.00 C ATOM 675 CE LYS A 46 -12.972 3.172 -6.694 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.963 4.072 -6.063 1.00 10.00 N ATOM 0 H LYS A 46 -7.685 0.755 -4.647 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.479 3.405 -5.751 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.031 1.277 -4.828 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.017 2.428 -3.506 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.064 4.102 -4.753 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.399 3.541 -6.274 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.913 1.441 -5.962 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.727 2.359 -4.711 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -12.314 3.746 -7.346 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.483 2.441 -7.320 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.516 4.552 -6.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.602 3.516 -5.459 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.469 4.781 -5.484 1.00 10.00 H new ATOM 690 N ASP A 47 -8.429 4.209 -3.041 1.00 10.00 N ATOM 691 CA ASP A 47 -7.864 4.948 -1.926 1.00 10.00 C ATOM 692 C ASP A 47 -6.990 4.012 -1.088 1.00 10.00 C ATOM 693 O ASP A 47 -6.057 4.457 -0.422 1.00 10.00 O ATOM 694 CB ASP A 47 -8.962 5.506 -1.020 1.00 10.00 C ATOM 695 CG ASP A 47 -8.992 7.032 -0.904 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.048 7.682 -1.969 1.00 10.00 O ATOM 697 OD2 ASP A 47 -8.958 7.514 0.249 1.00 10.00 O ATOM 0 H ASP A 47 -9.427 4.359 -3.189 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.279 5.773 -2.332 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.928 5.166 -1.394 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.839 5.083 -0.023 1.00 10.00 H new ATOM 702 N ALA A 48 -7.326 2.731 -1.149 1.00 10.00 N ATOM 703 CA ALA A 48 -6.585 1.727 -0.404 1.00 10.00 C ATOM 704 C ALA A 48 -5.088 2.031 -0.497 1.00 10.00 C ATOM 705 O ALA A 48 -4.425 2.227 0.520 1.00 10.00 O ATOM 706 CB ALA A 48 -6.932 0.336 -0.938 1.00 10.00 C ATOM 0 H ALA A 48 -8.101 2.366 -1.703 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.861 1.750 0.650 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.376 -0.417 -0.379 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.001 0.158 -0.822 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.666 0.275 -1.993 1.00 10.00 H new ATOM 712 N CYS A 49 -4.598 2.061 -1.729 1.00 10.00 N ATOM 713 CA CYS A 49 -3.193 2.337 -1.969 1.00 10.00 C ATOM 714 C CYS A 49 -3.073 3.745 -2.556 1.00 10.00 C ATOM 715 O CYS A 49 -2.633 4.670 -1.876 1.00 10.00 O ATOM 716 CB CYS A 49 -2.555 1.284 -2.877 1.00 10.00 C ATOM 717 SG CYS A 49 -0.801 0.914 -2.510 1.00 10.00 S ATOM 0 H CYS A 49 -5.150 1.898 -2.571 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.645 2.289 -1.028 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.130 0.361 -2.799 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -2.632 1.621 -3.911 1.00 10.00 H new ATOM 722 N LYS A 50 -3.473 3.861 -3.815 1.00 10.00 N ATOM 723 CA LYS A 50 -3.416 5.141 -4.501 1.00 10.00 C ATOM 724 C LYS A 50 -4.010 6.225 -3.601 1.00 10.00 C ATOM 725 O LYS A 50 -5.229 6.378 -3.527 1.00 10.00 O ATOM 726 CB LYS A 50 -4.090 5.042 -5.872 1.00 10.00 C ATOM 727 CG LYS A 50 -3.340 4.068 -6.783 1.00 10.00 C ATOM 728 CD LYS A 50 -3.047 4.703 -8.143 1.00 10.00 C ATOM 729 CE LYS A 50 -4.192 4.446 -9.126 1.00 10.00 C ATOM 730 NZ LYS A 50 -3.668 3.917 -10.404 1.00 10.00 N ATOM 0 H LYS A 50 -3.837 3.091 -4.376 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.382 5.423 -4.698 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.122 4.711 -5.751 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.124 6.027 -6.337 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.405 3.768 -6.309 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -3.933 3.164 -6.920 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.900 5.776 -8.023 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.119 4.297 -8.546 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -4.898 3.737 -8.694 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -4.740 5.371 -9.306 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -4.457 3.748 -11.060 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.012 4.607 -10.822 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.165 3.023 -10.230 1.00 10.00 H new ATOM 744 N THR A 51 -3.122 6.952 -2.938 1.00 10.00 N ATOM 745 CA THR A 51 -3.544 8.018 -2.045 1.00 10.00 C ATOM 746 C THR A 51 -2.326 8.736 -1.459 1.00 10.00 C ATOM 747 O THR A 51 -2.025 9.867 -1.838 1.00 10.00 O ATOM 748 CB THR A 51 -4.459 7.409 -0.982 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.774 7.687 -1.456 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.381 8.152 0.354 1.00 10.00 C ATOM 0 H THR A 51 -2.112 6.824 -3.001 1.00 10.00 H new ATOM 0 HA THR A 51 -4.107 8.783 -2.580 1.00 10.00 H new ATOM 0 HB THR A 51 -4.194 6.362 -0.832 1.00 10.00 H new ATOM 0 HG1 THR A 51 -5.807 7.552 -2.426 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.050 7.679 1.073 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.359 8.116 0.731 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.679 9.191 0.211 1.00 10.00 H new ATOM 758 N CYS A 52 -1.657 8.048 -0.546 1.00 10.00 N ATOM 759 CA CYS A 52 -0.478 8.605 0.096 1.00 10.00 C ATOM 760 C CYS A 52 0.755 8.149 -0.685 1.00 10.00 C ATOM 761 O CYS A 52 1.592 7.416 -0.159 1.00 10.00 O ATOM 762 CB CYS A 52 -0.397 8.210 1.572 1.00 10.00 C ATOM 763 SG CYS A 52 1.181 8.634 2.394 1.00 10.00 S ATOM 0 H CYS A 52 -1.909 7.110 -0.235 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.534 9.693 0.082 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.212 8.696 2.109 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.556 7.135 1.655 1.00 10.00 H new ATOM 0 HG CYS A 52 2.175 8.285 1.632 1.00 10.00 H new ATOM 768 N HIS A 53 0.829 8.602 -1.928 1.00 10.00 N ATOM 769 CA HIS A 53 1.948 8.248 -2.787 1.00 10.00 C ATOM 770 C HIS A 53 2.062 9.267 -3.924 1.00 10.00 C ATOM 771 O HIS A 53 3.147 9.778 -4.196 1.00 10.00 O ATOM 772 CB HIS A 53 1.812 6.810 -3.292 1.00 10.00 C ATOM 773 CG HIS A 53 2.824 5.856 -2.703 1.00 10.00 C ATOM 774 ND1 HIS A 53 4.049 5.604 -3.295 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.780 5.096 -1.571 1.00 10.00 C ATOM 776 CE1 HIS A 53 4.705 4.730 -2.544 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.916 4.417 -1.477 1.00 10.00 N ATOM 0 H HIS A 53 0.134 9.210 -2.361 1.00 10.00 H new ATOM 0 HA HIS A 53 2.876 8.284 -2.216 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.810 6.448 -3.063 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.912 6.806 -4.377 1.00 10.00 H new ATOM 0 HD1 HIS A 53 4.390 6.020 -4.162 1.00 10.00 H new ATOM 0 HD2 HIS A 53 1.959 5.054 -0.870 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.691 4.336 -2.743 1.00 10.00 H new ATOM 785 N LYS A 54 0.928 9.529 -4.556 1.00 10.00 N ATOM 786 CA LYS A 54 0.888 10.477 -5.657 1.00 10.00 C ATOM 787 C LYS A 54 1.074 11.894 -5.112 1.00 10.00 C ATOM 788 O LYS A 54 0.123 12.673 -5.059 1.00 10.00 O ATOM 789 CB LYS A 54 -0.393 10.295 -6.474 1.00 10.00 C ATOM 790 CG LYS A 54 -1.619 10.221 -5.561 1.00 10.00 C ATOM 791 CD LYS A 54 -2.893 10.594 -6.322 1.00 10.00 C ATOM 792 CE LYS A 54 -3.995 9.559 -6.085 1.00 10.00 C ATOM 793 NZ LYS A 54 -5.301 10.079 -6.549 1.00 10.00 N ATOM 0 H LYS A 54 0.030 9.102 -4.327 1.00 10.00 H new ATOM 0 HA LYS A 54 1.709 10.292 -6.349 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.504 11.125 -7.172 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.323 9.385 -7.069 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.715 9.214 -5.156 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.487 10.894 -4.714 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -3.238 11.577 -6.002 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.677 10.663 -7.388 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.756 8.636 -6.613 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.050 9.314 -5.024 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -6.038 9.365 -6.381 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -5.534 10.947 -6.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -5.249 10.291 -7.566 1.00 10.00 H new ATOM 807 N SER A 55 2.306 12.187 -4.720 1.00 10.00 N ATOM 808 CA SER A 55 2.628 13.496 -4.181 1.00 10.00 C ATOM 809 C SER A 55 4.143 13.632 -4.008 1.00 10.00 C ATOM 810 O SER A 55 4.768 14.488 -4.632 1.00 10.00 O ATOM 811 CB SER A 55 1.919 13.733 -2.847 1.00 10.00 C ATOM 812 OG SER A 55 1.865 15.116 -2.509 1.00 10.00 O ATOM 0 H SER A 55 3.093 11.539 -4.765 1.00 10.00 H new ATOM 0 HA SER A 55 2.279 14.251 -4.886 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.906 13.333 -2.899 1.00 10.00 H new ATOM 0 HB3 SER A 55 2.438 13.187 -2.059 1.00 10.00 H new ATOM 0 HG SER A 55 1.403 15.225 -1.652 1.00 10.00 H new ATOM 818 N ASN A 56 4.688 12.776 -3.156 1.00 10.00 N ATOM 819 CA ASN A 56 6.116 12.790 -2.892 1.00 10.00 C ATOM 820 C ASN A 56 6.798 11.718 -3.746 1.00 10.00 C ATOM 821 O ASN A 56 7.655 12.030 -4.571 1.00 10.00 O ATOM 822 CB ASN A 56 6.408 12.480 -1.423 1.00 10.00 C ATOM 823 CG ASN A 56 7.777 13.023 -1.009 1.00 10.00 C ATOM 824 OD1 ASN A 56 8.762 12.306 -0.935 1.00 10.00 O ATOM 825 ND2 ASN A 56 7.785 14.327 -0.745 1.00 10.00 N ATOM 0 H ASN A 56 4.166 12.068 -2.640 1.00 10.00 H new ATOM 0 HA ASN A 56 6.494 13.784 -3.132 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.633 12.919 -0.794 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.376 11.402 -1.262 1.00 10.00 H new ATOM 0 HD21 ASN A 56 8.651 14.785 -0.461 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.925 14.869 -0.827 1.00 10.00 H new ATOM 832 N ASN A 57 6.392 10.478 -3.518 1.00 10.00 N ATOM 833 CA ASN A 57 6.953 9.359 -4.255 1.00 10.00 C ATOM 834 C ASN A 57 7.124 9.756 -5.724 1.00 10.00 C ATOM 835 O ASN A 57 8.204 10.175 -6.136 1.00 10.00 O ATOM 836 CB ASN A 57 6.028 8.142 -4.199 1.00 10.00 C ATOM 837 CG ASN A 57 6.205 7.380 -2.884 1.00 10.00 C ATOM 838 OD1 ASN A 57 6.939 6.409 -2.794 1.00 10.00 O ATOM 839 ND2 ASN A 57 5.494 7.870 -1.874 1.00 10.00 N ATOM 0 H ASN A 57 5.681 10.223 -2.833 1.00 10.00 H new ATOM 0 HA ASN A 57 7.911 9.104 -3.802 1.00 10.00 H new ATOM 0 HB2 ASN A 57 4.991 8.463 -4.301 1.00 10.00 H new ATOM 0 HB3 ASN A 57 6.240 7.480 -5.039 1.00 10.00 H new ATOM 0 HD21 ASN A 57 5.543 7.430 -0.955 1.00 10.00 H new ATOM 0 HD22 ASN A 57 4.899 8.686 -2.018 1.00 10.00 H new ATOM 846 N GLY A 58 6.040 9.610 -6.472 1.00 10.00 N ATOM 847 CA GLY A 58 6.056 9.947 -7.886 1.00 10.00 C ATOM 848 C GLY A 58 5.399 8.846 -8.720 1.00 10.00 C ATOM 849 O GLY A 58 4.367 9.071 -9.350 1.00 10.00 O ATOM 0 H GLY A 58 5.145 9.263 -6.126 1.00 10.00 H new ATOM 0 HA2 GLY A 58 5.532 10.890 -8.045 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.084 10.094 -8.217 1.00 10.00 H new ATOM 853 N PRO A 59 6.041 7.647 -8.697 1.00 10.00 N ATOM 854 CA PRO A 59 5.530 6.510 -9.444 1.00 10.00 C ATOM 855 C PRO A 59 4.305 5.907 -8.753 1.00 10.00 C ATOM 856 O PRO A 59 4.431 4.976 -7.960 1.00 10.00 O ATOM 857 CB PRO A 59 6.698 5.542 -9.535 1.00 10.00 C ATOM 858 CG PRO A 59 7.672 5.960 -8.445 1.00 10.00 C ATOM 859 CD PRO A 59 7.266 7.343 -7.962 1.00 10.00 C ATOM 0 HA PRO A 59 5.179 6.783 -10.439 1.00 10.00 H new ATOM 0 HB2 PRO A 59 6.366 4.514 -9.389 1.00 10.00 H new ATOM 0 HB3 PRO A 59 7.168 5.588 -10.517 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.652 5.247 -7.621 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.692 5.974 -8.829 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.095 7.352 -6.886 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.044 8.078 -8.167 1.00 10.00 H new ATOM 867 N THR A 60 3.147 6.462 -9.080 1.00 10.00 N ATOM 868 CA THR A 60 1.901 5.991 -8.501 1.00 10.00 C ATOM 869 C THR A 60 1.113 5.172 -9.526 1.00 10.00 C ATOM 870 O THR A 60 -0.012 4.752 -9.259 1.00 10.00 O ATOM 871 CB THR A 60 1.134 7.206 -7.975 1.00 10.00 C ATOM 872 OG1 THR A 60 -0.005 6.644 -7.328 1.00 10.00 O ATOM 873 CG2 THR A 60 0.542 8.057 -9.100 1.00 10.00 C ATOM 0 H THR A 60 3.046 7.234 -9.739 1.00 10.00 H new ATOM 0 HA THR A 60 2.084 5.317 -7.664 1.00 10.00 H new ATOM 0 HB THR A 60 1.799 7.820 -7.368 1.00 10.00 H new ATOM 0 HG1 THR A 60 -0.304 5.852 -7.822 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.008 8.906 -8.672 1.00 10.00 H new ATOM 0 HG22 THR A 60 1.344 8.419 -9.743 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.149 7.453 -9.688 1.00 10.00 H new ATOM 881 N LYS A 61 1.735 4.970 -10.679 1.00 10.00 N ATOM 882 CA LYS A 61 1.105 4.210 -11.745 1.00 10.00 C ATOM 883 C LYS A 61 1.835 2.876 -11.913 1.00 10.00 C ATOM 884 O LYS A 61 2.575 2.453 -11.026 1.00 10.00 O ATOM 885 CB LYS A 61 1.040 5.040 -13.029 1.00 10.00 C ATOM 886 CG LYS A 61 2.323 4.884 -13.848 1.00 10.00 C ATOM 887 CD LYS A 61 2.514 6.069 -14.798 1.00 10.00 C ATOM 888 CE LYS A 61 3.266 5.643 -16.061 1.00 10.00 C ATOM 889 NZ LYS A 61 3.062 6.631 -17.143 1.00 10.00 N ATOM 0 H LYS A 61 2.668 5.319 -10.898 1.00 10.00 H new ATOM 0 HA LYS A 61 0.071 3.980 -11.489 1.00 10.00 H new ATOM 0 HB2 LYS A 61 0.183 4.727 -13.626 1.00 10.00 H new ATOM 0 HB3 LYS A 61 0.889 6.090 -12.780 1.00 10.00 H new ATOM 0 HG2 LYS A 61 3.180 4.808 -13.178 1.00 10.00 H new ATOM 0 HG3 LYS A 61 2.283 3.957 -14.420 1.00 10.00 H new ATOM 0 HD2 LYS A 61 1.543 6.482 -15.070 1.00 10.00 H new ATOM 0 HD3 LYS A 61 3.066 6.861 -14.291 1.00 10.00 H new ATOM 0 HE2 LYS A 61 4.330 5.548 -15.843 1.00 10.00 H new ATOM 0 HE3 LYS A 61 2.918 4.662 -16.385 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 3.579 6.327 -17.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 2.048 6.702 -17.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 3.416 7.560 -16.836 1.00 10.00 H new ATOM 903 N CYS A 62 1.601 2.249 -13.056 1.00 10.00 N ATOM 904 CA CYS A 62 2.226 0.971 -13.351 1.00 10.00 C ATOM 905 C CYS A 62 3.736 1.118 -13.156 1.00 10.00 C ATOM 906 O CYS A 62 4.275 2.219 -13.269 1.00 10.00 O ATOM 907 CB CYS A 62 1.878 0.483 -14.758 1.00 10.00 C ATOM 908 SG CYS A 62 0.750 -0.959 -14.814 1.00 10.00 S ATOM 0 H CYS A 62 0.987 2.602 -13.790 1.00 10.00 H new ATOM 0 HA CYS A 62 1.845 0.211 -12.669 1.00 10.00 H new ATOM 0 HB2 CYS A 62 1.422 1.305 -15.310 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.801 0.225 -15.276 1.00 10.00 H new ATOM 0 HG CYS A 62 -0.219 -0.720 -15.647 1.00 10.00 H new ATOM 913 N GLY A 63 4.376 -0.005 -12.867 1.00 10.00 N ATOM 914 CA GLY A 63 5.813 -0.015 -12.654 1.00 10.00 C ATOM 915 C GLY A 63 6.156 0.355 -11.209 1.00 10.00 C ATOM 916 O GLY A 63 7.012 -0.276 -10.590 1.00 10.00 O ATOM 0 H GLY A 63 3.925 -0.915 -12.775 1.00 10.00 H new ATOM 0 HA2 GLY A 63 6.211 -1.003 -12.885 1.00 10.00 H new ATOM 0 HA3 GLY A 63 6.290 0.688 -13.336 1.00 10.00 H new ATOM 920 N GLY A 64 5.471 1.376 -10.715 1.00 10.00 N ATOM 921 CA GLY A 64 5.694 1.837 -9.355 1.00 10.00 C ATOM 922 C GLY A 64 5.966 0.662 -8.415 1.00 10.00 C ATOM 923 O GLY A 64 7.120 0.312 -8.170 1.00 10.00 O ATOM 0 H GLY A 64 4.762 1.897 -11.232 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.538 2.526 -9.335 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.822 2.391 -9.007 1.00 10.00 H new ATOM 927 N CYS A 65 4.885 0.084 -7.913 1.00 10.00 N ATOM 928 CA CYS A 65 4.993 -1.045 -7.005 1.00 10.00 C ATOM 929 C CYS A 65 5.200 -2.312 -7.837 1.00 10.00 C ATOM 930 O CYS A 65 6.161 -3.049 -7.622 1.00 10.00 O ATOM 931 CB CYS A 65 3.769 -1.156 -6.092 1.00 10.00 C ATOM 932 SG CYS A 65 2.158 -1.019 -6.948 1.00 10.00 S ATOM 0 H CYS A 65 3.930 0.376 -8.118 1.00 10.00 H new ATOM 0 HA CYS A 65 5.847 -0.902 -6.343 1.00 10.00 H new ATOM 0 HB2 CYS A 65 3.807 -2.113 -5.571 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.828 -0.377 -5.332 1.00 10.00 H new ATOM 0 HG CYS A 65 1.962 -2.078 -7.676 1.00 10.00 H new ATOM 937 N HIS A 66 4.283 -2.527 -8.768 1.00 10.00 N ATOM 938 CA HIS A 66 4.355 -3.693 -9.633 1.00 10.00 C ATOM 939 C HIS A 66 5.655 -3.657 -10.438 1.00 10.00 C ATOM 940 O HIS A 66 5.970 -2.651 -11.072 1.00 10.00 O ATOM 941 CB HIS A 66 3.112 -3.787 -10.521 1.00 10.00 C ATOM 942 CG HIS A 66 1.905 -4.372 -9.828 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.934 -5.592 -9.174 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.635 -3.893 -9.692 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.731 -5.827 -8.673 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.073 -4.773 -8.995 1.00 10.00 N ATOM 0 H HIS A 66 3.486 -1.914 -8.943 1.00 10.00 H new ATOM 0 HA HIS A 66 4.369 -4.599 -9.027 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.862 -2.790 -10.885 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.347 -4.395 -11.394 1.00 10.00 H new ATOM 0 HD1 HIS A 66 2.745 -6.206 -9.092 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.268 -2.956 -10.085 1.00 10.00 H new ATOM 0 HE1 HIS A 66 0.438 -6.700 -8.109 1.00 10.00 H new ATOM 954 N ILE A 67 6.377 -4.767 -10.386 1.00 10.00 N ATOM 955 CA ILE A 67 7.636 -4.875 -11.101 1.00 10.00 C ATOM 956 C ILE A 67 7.669 -6.196 -11.872 1.00 10.00 C ATOM 957 O ILE A 67 7.876 -7.256 -11.284 1.00 10.00 O ATOM 958 CB ILE A 67 8.815 -4.694 -10.141 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.858 -3.268 -9.589 1.00 10.00 C ATOM 960 CG2 ILE A 67 10.133 -5.091 -10.810 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.653 -3.210 -8.283 1.00 10.00 C ATOM 0 H ILE A 67 6.113 -5.600 -9.859 1.00 10.00 H new ATOM 0 HA ILE A 67 7.726 -4.075 -11.835 1.00 10.00 H new ATOM 0 HB ILE A 67 8.671 -5.363 -9.293 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.311 -2.603 -10.324 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.843 -2.910 -9.417 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.954 -4.953 -10.107 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.087 -6.137 -11.113 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.298 -4.466 -11.688 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.668 -2.185 -7.912 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.184 -3.857 -7.542 1.00 10.00 H new ATOM 0 HD13 ILE A 67 10.674 -3.546 -8.463 1.00 10.00 H new ATOM 973 N LYS A 68 7.460 -6.088 -13.176 1.00 10.00 N ATOM 974 CA LYS A 68 7.463 -7.261 -14.033 1.00 10.00 C ATOM 975 C LYS A 68 6.686 -8.389 -13.350 1.00 10.00 C ATOM 976 O LYS A 68 6.805 -9.551 -13.736 1.00 10.00 O ATOM 977 CB LYS A 68 8.894 -7.643 -14.415 1.00 10.00 C ATOM 978 CG LYS A 68 9.326 -6.935 -15.701 1.00 10.00 C ATOM 979 CD LYS A 68 9.127 -7.840 -16.918 1.00 10.00 C ATOM 980 CE LYS A 68 8.074 -7.262 -17.865 1.00 10.00 C ATOM 981 NZ LYS A 68 6.763 -7.912 -17.642 1.00 10.00 N ATOM 0 H LYS A 68 7.288 -5.207 -13.659 1.00 10.00 H new ATOM 0 HA LYS A 68 6.954 -7.047 -14.973 1.00 10.00 H new ATOM 0 HB2 LYS A 68 9.573 -7.379 -13.605 1.00 10.00 H new ATOM 0 HB3 LYS A 68 8.962 -8.723 -14.549 1.00 10.00 H new ATOM 0 HG2 LYS A 68 8.750 -6.018 -15.827 1.00 10.00 H new ATOM 0 HG3 LYS A 68 10.374 -6.645 -15.626 1.00 10.00 H new ATOM 0 HD2 LYS A 68 10.073 -7.956 -17.447 1.00 10.00 H new ATOM 0 HD3 LYS A 68 8.821 -8.833 -16.591 1.00 10.00 H new ATOM 0 HE2 LYS A 68 7.985 -6.187 -17.707 1.00 10.00 H new ATOM 0 HE3 LYS A 68 8.387 -7.407 -18.899 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 6.616 -8.652 -18.358 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.744 -8.339 -16.694 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.006 -7.202 -17.717 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.266 2.458 -12.408 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.180 -2.363 8.734 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.165 -4.985 7.880 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.726 -3.071 12.010 1.00 10.00 C HETATM 1000 CHC HEC A 98 1.175 -0.118 9.535 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.162 -1.323 5.583 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.230 -3.731 9.686 1.00 10.00 N HETATM 1003 C1A HEC A 98 -2.997 -4.735 9.234 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.350 -5.701 10.302 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.957 -5.123 11.437 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.248 -3.954 11.151 1.00 10.00 C HETATM 1007 CMA HEC A 98 -3.126 -5.730 12.882 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.201 -6.909 10.028 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.355 -7.961 9.239 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.674 -9.067 10.028 1.00 10.00 C HETATM 1011 O1A HEC A 98 -3.410 -10.031 10.269 1.00 10.00 O HETATM 1012 O2A HEC A 98 -1.474 -8.964 10.362 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.411 -1.697 10.460 1.00 10.00 N HETATM 1014 C1B HEC A 98 -0.932 -1.970 11.719 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.128 -1.188 12.653 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.747 -0.392 11.990 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.489 -0.711 10.612 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.423 -1.206 14.197 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.723 0.650 12.472 1.00 10.00 C HETATM 1020 CBB HEC A 98 3.087 0.085 12.902 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.193 -0.979 7.700 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.766 -0.115 8.133 1.00 10.00 C HETATM 1023 C2C HEC A 98 1.250 0.836 7.212 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.623 0.466 6.076 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.333 -0.595 6.387 1.00 10.00 C HETATM 1026 CMC HEC A 98 2.279 1.907 7.403 1.00 10.00 C HETATM 1027 CAC HEC A 98 0.517 1.172 4.689 1.00 10.00 C HETATM 1028 CBC HEC A 98 1.421 0.499 3.631 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.012 -3.015 7.032 1.00 10.00 N HETATM 1030 C1D HEC A 98 -1.892 -2.437 5.774 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.599 -3.185 4.842 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.138 -4.239 5.477 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.701 -4.175 6.869 1.00 10.00 C HETATM 1034 CMD HEC A 98 -2.675 -2.903 3.273 1.00 10.00 C HETATM 1035 CAD HEC A 98 -3.894 -5.407 4.794 1.00 10.00 C HETATM 1036 CBD HEC A 98 -2.991 -6.267 3.940 1.00 10.00 C HETATM 1037 CGD HEC A 98 -1.793 -6.925 4.601 1.00 10.00 C HETATM 1038 O1D HEC A 98 -0.682 -6.341 4.483 1.00 10.00 O HETATM 1039 O2D HEC A 98 -2.012 -8.072 5.051 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.100 -1.914 3.101 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -1.673 -2.946 2.847 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.304 -3.656 2.798 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.953 2.588 8.189 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 3.228 1.453 7.687 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 2.405 2.460 6.472 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.436 -0.848 14.378 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.325 -2.224 14.574 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.288 -0.559 14.711 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.184 -5.890 13.088 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.597 -6.681 12.941 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.714 -5.039 13.617 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.602 -7.054 3.498 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.622 -5.651 3.120 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 2.460 0.544 3.959 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 1.124 -0.542 3.508 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 1.318 1.021 2.679 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.946 -0.623 13.719 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.553 -0.423 12.058 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.730 0.900 13.235 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -4.008 -8.430 8.503 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.585 -7.423 8.686 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.363 -6.027 5.558 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.695 -5.003 4.175 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.557 -7.339 10.964 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.082 -6.626 9.452 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.251 -0.917 4.575 1.00 10.00 H new HETATM 0 HHC HEC A 98 2.109 0.392 9.772 1.00 10.00 H new HETATM 0 HHB HEC A 98 -1.951 -3.236 13.064 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.704 -5.889 7.596 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.118 2.035 4.490 1.00 10.00 H new HETATM 0 H2D HEC A 98 -1.239 -8.647 4.871 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.265 -9.638 11.042 1.00 10.00 H new HETATM 1072 FE HEC A 128 4.624 2.874 -0.090 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.977 3.387 -0.305 1.00 10.00 C HETATM 1074 CHB HEC A 128 4.906 0.370 -2.367 1.00 10.00 C HETATM 1075 CHC HEC A 128 1.437 2.054 0.529 1.00 10.00 C HETATM 1076 CHD HEC A 128 4.284 5.687 1.636 1.00 10.00 C HETATM 1077 NA HEC A 128 6.129 2.092 -1.093 1.00 10.00 N HETATM 1078 C1A HEC A 128 7.439 2.387 -1.102 1.00 10.00 C HETATM 1079 C2A HEC A 128 8.248 1.345 -1.778 1.00 10.00 C HETATM 1080 C3A HEC A 128 7.359 0.539 -2.360 1.00 10.00 C HETATM 1081 C4A HEC A 128 6.068 0.901 -1.972 1.00 10.00 C HETATM 1082 CMA HEC A 128 7.705 -0.726 -3.234 1.00 10.00 C HETATM 1083 CAA HEC A 128 9.741 1.459 -1.906 1.00 10.00 C HETATM 1084 CBA HEC A 128 10.084 2.217 -3.228 1.00 10.00 C HETATM 1085 CGA HEC A 128 11.123 1.603 -4.155 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.179 2.142 -5.266 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.836 0.653 -3.767 1.00 10.00 O HETATM 1088 NB HEC A 128 3.378 1.472 -0.793 1.00 10.00 N HETATM 1089 C1B HEC A 128 3.634 0.665 -1.894 1.00 10.00 C HETATM 1090 C2B HEC A 128 2.412 -0.108 -2.104 1.00 10.00 C HETATM 1091 C3B HEC A 128 1.432 0.296 -1.258 1.00 10.00 C HETATM 1092 C4B HEC A 128 2.077 1.330 -0.492 1.00 10.00 C HETATM 1093 CMB HEC A 128 2.289 -1.135 -3.289 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.013 -0.110 -1.126 1.00 10.00 C HETATM 1095 CBB HEC A 128 -0.250 -1.299 -0.181 1.00 10.00 C HETATM 1096 NC HEC A 128 3.152 3.753 0.917 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.877 3.318 1.114 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.992 4.178 1.798 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.812 5.189 2.155 1.00 10.00 C HETATM 1100 C4C HEC A 128 3.121 4.978 1.541 1.00 10.00 C HETATM 1101 CMC HEC A 128 -0.451 3.979 2.144 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.499 6.591 2.765 1.00 10.00 C HETATM 1103 CBC HEC A 128 0.590 6.485 4.010 1.00 10.00 C HETATM 1104 ND HEC A 128 5.885 4.294 0.549 1.00 10.00 N HETATM 1105 C1D HEC A 128 5.554 5.431 1.278 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.701 6.167 1.547 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.751 5.507 1.032 1.00 10.00 C HETATM 1108 C4D HEC A 128 7.240 4.265 0.458 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.773 7.510 2.407 1.00 10.00 C HETATM 1110 CAD HEC A 128 9.237 5.900 1.221 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.794 6.671 0.048 1.00 10.00 C HETATM 1112 CGD HEC A 128 10.939 6.059 -0.736 1.00 10.00 C HETATM 1113 O1D HEC A 128 10.813 4.854 -1.087 1.00 10.00 O HETATM 1114 O2D HEC A 128 11.964 6.773 -0.802 1.00 10.00 O HETATM 0 HMD3 HEC A 128 6.147 8.273 1.944 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.417 7.314 3.418 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.804 7.861 2.447 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.029 3.840 1.230 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -0.555 3.097 2.776 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -0.821 4.854 2.678 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 2.422 -0.614 -4.237 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 3.056 -1.903 -3.186 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 1.304 -1.601 -3.266 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 8.303 -0.422 -4.093 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 8.269 -1.440 -2.634 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 6.783 -1.192 -3.580 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 8.975 6.855 -0.648 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 10.124 7.643 0.415 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.353 6.014 3.733 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 1.085 5.883 4.772 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 0.396 7.482 4.405 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 0.294 -2.169 -0.548 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 0.103 -1.045 0.819 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -1.315 -1.527 -0.143 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.160 2.336 -3.794 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 10.425 3.217 -2.961 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 9.337 6.501 2.125 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.830 4.998 1.371 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 10.152 1.993 -1.049 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 10.195 0.468 -1.912 1.00 10.00 H new HETATM 0 HHD HEC A 128 4.156 6.665 2.099 1.00 10.00 H new HETATM 0 HHC HEC A 128 0.516 1.627 0.926 1.00 10.00 H new HETATM 0 HHB HEC A 128 4.964 -0.383 -3.153 1.00 10.00 H new HETATM 0 HHA HEC A 128 9.062 3.485 -0.281 1.00 10.00 H new HETATM 0 HAC HEC A 128 1.876 7.531 2.362 1.00 10.00 H new HETATM 0 H2D HEC A 128 12.702 6.251 -1.181 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.277 0.239 -4.538 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.102 -3.922 -9.037 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.497 -6.554 -7.403 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.735 -5.475 -11.991 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.207 -1.110 -10.623 1.00 10.00 C HETATM 1151 CHD HEC A 158 -0.949 -2.724 -6.167 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.928 -5.639 -9.537 1.00 10.00 N HETATM 1153 C1A HEC A 158 -3.450 -6.624 -8.789 1.00 10.00 C HETATM 1154 C2A HEC A 158 -4.234 -7.591 -9.593 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.976 -7.274 -10.862 1.00 10.00 C HETATM 1156 C4A HEC A 158 -3.227 -6.097 -10.913 1.00 10.00 C HETATM 1157 CMA HEC A 158 -4.550 -8.019 -12.128 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.914 -8.776 -8.968 1.00 10.00 C HETATM 1159 CBA HEC A 158 -4.162 -10.080 -9.390 1.00 10.00 C HETATM 1160 CGA HEC A 158 -4.976 -11.355 -9.546 1.00 10.00 C HETATM 1161 O1A HEC A 158 -4.744 -11.968 -10.593 1.00 10.00 O HETATM 1162 O2A HEC A 158 -5.779 -11.707 -8.655 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.979 -3.379 -10.962 1.00 10.00 N HETATM 1164 C1B HEC A 158 -2.084 -4.249 -12.040 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.813 -3.440 -13.224 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.443 -2.182 -12.877 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.510 -2.215 -11.440 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.812 -4.073 -14.663 1.00 10.00 C HETATM 1169 CAB HEC A 158 -0.983 -1.006 -13.698 1.00 10.00 C HETATM 1170 CBB HEC A 158 -1.866 0.245 -13.559 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.231 -2.233 -8.451 1.00 10.00 N HETATM 1172 C1C HEC A 158 -0.917 -1.134 -9.191 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.216 -0.093 -8.549 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.183 -0.528 -7.272 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.728 -1.883 -7.220 1.00 10.00 C HETATM 1176 CMC HEC A 158 0.268 1.211 -9.103 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.597 0.003 -6.030 1.00 10.00 C HETATM 1178 CBC HEC A 158 0.456 1.535 -5.875 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.189 -4.519 -7.127 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.634 -3.873 -6.029 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.918 -4.585 -4.871 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.665 -5.649 -5.208 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.906 -5.568 -6.646 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.515 -4.161 -3.385 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.322 -6.636 -4.210 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.583 -7.950 -4.116 1.00 10.00 C HETATM 1187 CGD HEC A 158 -1.930 -8.497 -5.372 1.00 10.00 C HETATM 1188 O1D HEC A 158 -1.349 -7.669 -6.123 1.00 10.00 O HETATM 1189 O2D HEC A 158 -2.188 -9.699 -5.611 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.431 -4.080 -3.311 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -1.967 -3.199 -3.146 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -1.872 -4.914 -2.682 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.963 1.023 -9.921 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.581 1.786 -9.473 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.774 1.774 -8.319 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -1.055 -4.855 -14.716 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.792 -4.502 -14.872 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.589 -3.301 -15.400 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -4.238 -9.063 -12.108 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -5.639 -7.966 -12.119 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -4.171 -7.544 -13.033 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.808 -7.842 -3.357 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -3.284 -8.701 -3.751 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 0.851 2.028 -6.763 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -0.596 1.793 -5.754 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 1.014 1.865 -4.999 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -2.882 0.011 -13.878 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -1.878 0.568 -12.518 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.465 1.044 -14.182 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -3.662 -9.885 -10.339 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -3.383 -10.270 -8.652 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -3.362 -6.175 -3.223 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.351 -6.824 -4.516 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.917 -8.678 -7.882 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.955 -8.823 -9.286 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.470 -2.395 -5.245 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.186 -0.135 -11.109 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.860 -5.991 -12.943 1.00 10.00 H new HETATM 0 HHA HEC A 158 -4.042 -7.337 -6.876 1.00 10.00 H new HETATM 0 HAC HEC A 158 1.172 -0.629 -5.353 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.100 -1.039 -14.336 1.00 10.00 H new HETATM 0 H2D HEC A 158 -2.484 -9.791 -6.541 1.00 10.00 H new HETATM 0 H2A HEC A 158 -6.372 -12.404 -9.006 1.00 10.00 H new