USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 74 SER OG : rot 180:sc= 0.671 USER MOD Set 1.2: A 77 THR OG1 : rot 128:sc= 0.616 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0488) USER MOD Set 3.1: A 13 HIS :FLIP no HD1:sc= -2.62 F(o=-4.2!,f=-2.8) USER MOD Set 3.2: A 46 TYR OH : rot 30:sc= -0.216 USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0467) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.126 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -24:sc= 0.459 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.66) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 148:sc= 0.012 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.0353 K(o=0.035,f=-2.8!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.093 F(o=-0.71,f=-0.093) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.052 (180deg=-0.269) USER MOD Single : A 50 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.14) USER MOD Single : A 52 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 27:sc= 0.682 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0386 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.997 -4.810 -33.377 1.00 0.00 N ATOM 2 CA GLY A 1 -15.862 -6.192 -32.955 1.00 0.00 C ATOM 3 C GLY A 1 -14.418 -6.590 -32.725 1.00 0.00 C ATOM 4 O GLY A 1 -14.110 -7.309 -31.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.003 -4.548 -33.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.487 -4.193 -32.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.598 -4.698 -34.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.428 -6.345 -32.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.299 -6.844 -33.711 1.00 0.00 H new ATOM 8 N SER A 2 -13.531 -6.122 -33.597 1.00 0.00 N ATOM 9 CA SER A 2 -12.111 -6.438 -33.487 1.00 0.00 C ATOM 10 C SER A 2 -11.465 -5.647 -32.354 1.00 0.00 C ATOM 11 O SER A 2 -11.944 -4.577 -31.977 1.00 0.00 O ATOM 12 CB SER A 2 -11.397 -6.137 -34.806 1.00 0.00 C ATOM 13 OG SER A 2 -11.320 -4.742 -35.038 1.00 0.00 O ATOM 0 H SER A 2 -13.770 -5.523 -34.387 1.00 0.00 H new ATOM 0 HA SER A 2 -12.016 -7.501 -33.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.393 -6.561 -34.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.928 -6.617 -35.628 1.00 0.00 H new ATOM 0 HG SER A 2 -10.858 -4.576 -35.886 1.00 0.00 H new ATOM 19 N SER A 3 -10.374 -6.181 -31.815 1.00 0.00 N ATOM 20 CA SER A 3 -9.663 -5.528 -30.722 1.00 0.00 C ATOM 21 C SER A 3 -8.167 -5.823 -30.794 1.00 0.00 C ATOM 22 O SER A 3 -7.714 -6.581 -31.650 1.00 0.00 O ATOM 23 CB SER A 3 -10.221 -5.990 -29.375 1.00 0.00 C ATOM 24 OG SER A 3 -11.338 -5.207 -28.990 1.00 0.00 O ATOM 0 H SER A 3 -9.963 -7.064 -32.117 1.00 0.00 H new ATOM 0 HA SER A 3 -9.809 -4.452 -30.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.512 -7.038 -29.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.445 -5.921 -28.613 1.00 0.00 H new ATOM 0 HG SER A 3 -11.771 -4.840 -29.789 1.00 0.00 H new ATOM 30 N GLY A 4 -7.407 -5.218 -29.887 1.00 0.00 N ATOM 31 CA GLY A 4 -5.971 -5.427 -29.863 1.00 0.00 C ATOM 32 C GLY A 4 -5.496 -6.039 -28.561 1.00 0.00 C ATOM 33 O GLY A 4 -6.297 -6.326 -27.672 1.00 0.00 O ATOM 0 H GLY A 4 -7.760 -4.587 -29.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.688 -6.077 -30.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.466 -4.474 -30.019 1.00 0.00 H new ATOM 37 N SER A 5 -4.187 -6.241 -28.447 1.00 0.00 N ATOM 38 CA SER A 5 -3.606 -6.828 -27.245 1.00 0.00 C ATOM 39 C SER A 5 -2.187 -6.314 -27.021 1.00 0.00 C ATOM 40 O SER A 5 -1.480 -5.976 -27.970 1.00 0.00 O ATOM 41 CB SER A 5 -3.595 -8.354 -27.352 1.00 0.00 C ATOM 42 OG SER A 5 -2.704 -8.789 -28.364 1.00 0.00 O ATOM 0 H SER A 5 -3.509 -6.007 -29.172 1.00 0.00 H new ATOM 0 HA SER A 5 -4.220 -6.534 -26.394 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.302 -8.786 -26.395 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.601 -8.713 -27.570 1.00 0.00 H new ATOM 0 HG SER A 5 -2.715 -9.768 -28.411 1.00 0.00 H new ATOM 48 N SER A 6 -1.779 -6.257 -25.757 1.00 0.00 N ATOM 49 CA SER A 6 -0.446 -5.779 -25.405 1.00 0.00 C ATOM 50 C SER A 6 -0.042 -6.272 -24.019 1.00 0.00 C ATOM 51 O SER A 6 -0.887 -6.472 -23.148 1.00 0.00 O ATOM 52 CB SER A 6 -0.401 -4.251 -25.449 1.00 0.00 C ATOM 53 OG SER A 6 -0.877 -3.763 -26.691 1.00 0.00 O ATOM 0 H SER A 6 -2.351 -6.536 -24.960 1.00 0.00 H new ATOM 0 HA SER A 6 0.261 -6.177 -26.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.005 -3.843 -24.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.621 -3.909 -25.288 1.00 0.00 H new ATOM 0 HG SER A 6 -0.773 -4.456 -27.376 1.00 0.00 H new ATOM 59 N GLY A 7 1.259 -6.465 -23.823 1.00 0.00 N ATOM 60 CA GLY A 7 1.755 -6.932 -22.541 1.00 0.00 C ATOM 61 C GLY A 7 1.368 -6.012 -21.400 1.00 0.00 C ATOM 62 O GLY A 7 0.881 -4.904 -21.622 1.00 0.00 O ATOM 0 H GLY A 7 1.978 -6.306 -24.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.365 -7.931 -22.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.841 -7.016 -22.584 1.00 0.00 H new ATOM 66 N LYS A 8 1.582 -6.473 -20.172 1.00 0.00 N ATOM 67 CA LYS A 8 1.252 -5.686 -18.990 1.00 0.00 C ATOM 68 C LYS A 8 2.241 -5.960 -17.861 1.00 0.00 C ATOM 69 O LYS A 8 2.340 -7.085 -17.372 1.00 0.00 O ATOM 70 CB LYS A 8 -0.171 -6.000 -18.524 1.00 0.00 C ATOM 71 CG LYS A 8 -0.701 -5.024 -17.489 1.00 0.00 C ATOM 72 CD LYS A 8 -1.044 -3.681 -18.113 1.00 0.00 C ATOM 73 CE LYS A 8 -1.629 -2.723 -17.086 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.066 -3.006 -16.818 1.00 0.00 N ATOM 0 H LYS A 8 1.983 -7.389 -19.970 1.00 0.00 H new ATOM 0 HA LYS A 8 1.315 -4.631 -19.257 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.836 -5.997 -19.388 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.194 -7.007 -18.107 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.588 -5.443 -17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.044 -4.883 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.148 -3.243 -18.552 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.757 -3.827 -18.924 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.065 -2.798 -16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.521 -1.699 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.427 -2.332 -16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.609 -2.909 -17.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.167 -3.975 -16.454 1.00 0.00 H new ATOM 88 N GLN A 9 2.967 -4.925 -17.452 1.00 0.00 N ATOM 89 CA GLN A 9 3.946 -5.055 -16.380 1.00 0.00 C ATOM 90 C GLN A 9 3.259 -5.320 -15.044 1.00 0.00 C ATOM 91 O GLN A 9 2.416 -4.539 -14.603 1.00 0.00 O ATOM 92 CB GLN A 9 4.801 -3.790 -16.285 1.00 0.00 C ATOM 93 CG GLN A 9 5.596 -3.498 -17.546 1.00 0.00 C ATOM 94 CD GLN A 9 6.441 -4.676 -17.991 1.00 0.00 C ATOM 95 OE1 GLN A 9 6.976 -5.416 -17.166 1.00 0.00 O ATOM 96 NE2 GLN A 9 6.562 -4.856 -19.301 1.00 0.00 N ATOM 0 H GLN A 9 2.896 -3.987 -17.847 1.00 0.00 H new ATOM 0 HA GLN A 9 4.590 -5.904 -16.611 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.154 -2.940 -16.068 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.490 -3.889 -15.446 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.910 -3.225 -18.348 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.242 -2.638 -17.372 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.100 -4.217 -19.948 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.116 -5.633 -19.660 1.00 0.00 H new ATOM 105 N ALA A 10 3.624 -6.426 -14.405 1.00 0.00 N ATOM 106 CA ALA A 10 3.045 -6.793 -13.120 1.00 0.00 C ATOM 107 C ALA A 10 4.129 -7.168 -12.115 1.00 0.00 C ATOM 108 O ALA A 10 4.812 -8.180 -12.270 1.00 0.00 O ATOM 109 CB ALA A 10 2.063 -7.942 -13.292 1.00 0.00 C ATOM 0 H ALA A 10 4.319 -7.084 -14.757 1.00 0.00 H new ATOM 0 HA ALA A 10 2.510 -5.927 -12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.638 -8.206 -12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.264 -7.639 -13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.582 -8.806 -13.707 1.00 0.00 H new ATOM 115 N LYS A 11 4.283 -6.344 -11.083 1.00 0.00 N ATOM 116 CA LYS A 11 5.285 -6.587 -10.051 1.00 0.00 C ATOM 117 C LYS A 11 4.627 -6.765 -8.687 1.00 0.00 C ATOM 118 O LYS A 11 3.790 -5.959 -8.282 1.00 0.00 O ATOM 119 CB LYS A 11 6.286 -5.431 -10.001 1.00 0.00 C ATOM 120 CG LYS A 11 7.173 -5.449 -8.767 1.00 0.00 C ATOM 121 CD LYS A 11 8.075 -4.227 -8.712 1.00 0.00 C ATOM 122 CE LYS A 11 8.492 -3.907 -7.285 1.00 0.00 C ATOM 123 NZ LYS A 11 9.686 -4.694 -6.867 1.00 0.00 N ATOM 0 H LYS A 11 3.726 -5.502 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 11 5.815 -7.506 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.915 -5.467 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.741 -4.488 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.552 -5.485 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.782 -6.353 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.962 -4.400 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.556 -3.370 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.711 -2.843 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.663 -4.117 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.939 -4.448 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.469 -5.710 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.484 -4.475 -7.497 1.00 0.00 H new ATOM 137 N ILE A 12 5.014 -7.823 -7.982 1.00 0.00 N ATOM 138 CA ILE A 12 4.463 -8.104 -6.662 1.00 0.00 C ATOM 139 C ILE A 12 5.555 -8.089 -5.597 1.00 0.00 C ATOM 140 O ILE A 12 6.676 -8.538 -5.836 1.00 0.00 O ATOM 141 CB ILE A 12 3.747 -9.467 -6.628 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.844 -9.623 -7.853 1.00 0.00 C ATOM 143 CG2 ILE A 12 2.941 -9.609 -5.347 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.077 -10.926 -7.875 1.00 0.00 C ATOM 0 H ILE A 12 5.707 -8.499 -8.303 1.00 0.00 H new ATOM 0 HA ILE A 12 3.739 -7.318 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 12 4.498 -10.257 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.137 -8.794 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.453 -9.554 -8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.441 -10.577 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.608 -9.537 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.196 -8.815 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.458 -10.969 -8.771 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.778 -11.761 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.442 -10.989 -6.992 1.00 0.00 H new ATOM 156 N HIS A 13 5.219 -7.570 -4.420 1.00 0.00 N ATOM 157 CA HIS A 13 6.169 -7.499 -3.316 1.00 0.00 C ATOM 158 C HIS A 13 5.900 -8.599 -2.295 1.00 0.00 C ATOM 159 O HIS A 13 4.930 -8.535 -1.539 1.00 0.00 O ATOM 160 CB HIS A 13 6.097 -6.129 -2.639 1.00 0.00 C ATOM 161 CG HIS A 13 6.055 -4.986 -3.605 1.00 0.00 C ATOM 162 ND1 HIS A 13 5.333 -4.808 -4.736 1.00 0.00 N flip ATOM 163 CD2 HIS A 13 6.823 -3.850 -3.460 1.00 0.00 C flip ATOM 164 CE1 HIS A 13 5.673 -3.579 -5.248 1.00 0.00 C flip ATOM 165 NE2 HIS A 13 6.573 -3.022 -4.459 1.00 0.00 N flip ATOM 0 H HIS A 13 4.296 -7.192 -4.207 1.00 0.00 H new ATOM 0 HA HIS A 13 7.170 -7.642 -3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.211 -6.092 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.961 -6.010 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.520 -3.666 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.270 -3.140 -6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.003 -2.107 -4.597 1.00 0.00 H new ATOM 173 N TYR A 14 6.763 -9.608 -2.278 1.00 0.00 N ATOM 174 CA TYR A 14 6.616 -10.725 -1.351 1.00 0.00 C ATOM 175 C TYR A 14 7.110 -10.346 0.042 1.00 0.00 C ATOM 176 O TYR A 14 7.905 -11.064 0.647 1.00 0.00 O ATOM 177 CB TYR A 14 7.385 -11.945 -1.863 1.00 0.00 C ATOM 178 CG TYR A 14 6.974 -12.380 -3.251 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.641 -12.618 -3.561 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.921 -12.554 -4.254 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.262 -13.018 -4.827 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.550 -12.952 -5.524 1.00 0.00 C ATOM 183 CZ TYR A 14 6.220 -13.184 -5.805 1.00 0.00 C ATOM 184 OH TYR A 14 5.846 -13.580 -7.069 1.00 0.00 O ATOM 0 H TYR A 14 7.572 -9.676 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 14 5.557 -10.973 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.451 -11.718 -1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.236 -12.775 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.888 -12.488 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.964 -12.375 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.221 -13.200 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.298 -13.081 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 14 6.640 -13.649 -7.639 1.00 0.00 H new ATOM 194 N ILE A 15 6.631 -9.212 0.543 1.00 0.00 N ATOM 195 CA ILE A 15 7.021 -8.738 1.865 1.00 0.00 C ATOM 196 C ILE A 15 6.144 -9.351 2.951 1.00 0.00 C ATOM 197 O ILE A 15 4.947 -9.566 2.751 1.00 0.00 O ATOM 198 CB ILE A 15 6.938 -7.203 1.959 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.259 -6.571 1.518 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.588 -6.777 3.377 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.296 -6.211 0.049 1.00 0.00 C ATOM 0 H ILE A 15 5.973 -8.605 0.054 1.00 0.00 H new ATOM 0 HA ILE A 15 8.054 -9.048 2.019 1.00 0.00 H new ATOM 0 HB ILE A 15 6.150 -6.855 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.438 -5.672 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.073 -7.262 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.533 -5.690 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.624 -7.202 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.356 -7.134 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.262 -5.768 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.149 -7.110 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.503 -5.496 -0.170 1.00 0.00 H new ATOM 213 N LYS A 16 6.744 -9.629 4.103 1.00 0.00 N ATOM 214 CA LYS A 16 6.017 -10.215 5.223 1.00 0.00 C ATOM 215 C LYS A 16 5.047 -11.289 4.741 1.00 0.00 C ATOM 216 O LYS A 16 3.973 -11.469 5.313 1.00 0.00 O ATOM 217 CB LYS A 16 5.256 -9.130 5.986 1.00 0.00 C ATOM 218 CG LYS A 16 6.159 -8.094 6.634 1.00 0.00 C ATOM 219 CD LYS A 16 6.811 -8.634 7.895 1.00 0.00 C ATOM 220 CE LYS A 16 7.892 -7.695 8.409 1.00 0.00 C ATOM 221 NZ LYS A 16 8.868 -8.399 9.286 1.00 0.00 N ATOM 0 H LYS A 16 7.733 -9.458 4.286 1.00 0.00 H new ATOM 0 HA LYS A 16 6.742 -10.680 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.573 -8.627 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.645 -9.600 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.930 -7.789 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.578 -7.204 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.053 -8.775 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.245 -9.613 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.418 -7.250 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.430 -6.878 8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.588 -7.725 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.371 -8.802 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.328 -9.163 8.750 1.00 0.00 H new ATOM 235 N ASN A 17 5.435 -11.999 3.686 1.00 0.00 N ATOM 236 CA ASN A 17 4.598 -13.055 3.128 1.00 0.00 C ATOM 237 C ASN A 17 3.300 -12.483 2.568 1.00 0.00 C ATOM 238 O ASN A 17 2.228 -13.067 2.733 1.00 0.00 O ATOM 239 CB ASN A 17 4.286 -14.106 4.197 1.00 0.00 C ATOM 240 CG ASN A 17 5.304 -15.230 4.216 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.491 -15.005 4.448 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.841 -16.451 3.970 1.00 0.00 N ATOM 0 H ASN A 17 6.322 -11.862 3.201 1.00 0.00 H new ATOM 0 HA ASN A 17 5.147 -13.526 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.258 -13.628 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.294 -14.521 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.478 -17.247 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.848 -16.592 3.783 1.00 0.00 H new ATOM 249 N HIS A 18 3.403 -11.337 1.903 1.00 0.00 N ATOM 250 CA HIS A 18 2.238 -10.685 1.316 1.00 0.00 C ATOM 251 C HIS A 18 2.398 -10.540 -0.194 1.00 0.00 C ATOM 252 O HIS A 18 3.432 -10.902 -0.754 1.00 0.00 O ATOM 253 CB HIS A 18 2.021 -9.312 1.953 1.00 0.00 C ATOM 254 CG HIS A 18 1.286 -9.365 3.257 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.087 -9.279 3.351 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.743 -9.497 4.525 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.443 -9.354 4.621 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.647 -9.487 5.353 1.00 0.00 N ATOM 0 H HIS A 18 4.282 -10.840 1.757 1.00 0.00 H new ATOM 0 HA HIS A 18 1.366 -11.310 1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.989 -8.837 2.110 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.466 -8.682 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.775 -9.592 4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.455 -9.313 4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.672 -9.569 6.369 1.00 0.00 H new ATOM 266 N GLU A 19 1.369 -10.009 -0.845 1.00 0.00 N ATOM 267 CA GLU A 19 1.397 -9.817 -2.291 1.00 0.00 C ATOM 268 C GLU A 19 1.184 -8.350 -2.650 1.00 0.00 C ATOM 269 O GLU A 19 0.708 -8.029 -3.740 1.00 0.00 O ATOM 270 CB GLU A 19 0.326 -10.680 -2.962 1.00 0.00 C ATOM 271 CG GLU A 19 0.793 -12.088 -3.287 1.00 0.00 C ATOM 272 CD GLU A 19 1.067 -12.913 -2.045 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.474 -12.610 -0.989 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.874 -13.864 -2.129 1.00 0.00 O ATOM 0 H GLU A 19 0.506 -9.704 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 19 2.379 -10.121 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.544 -10.737 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.003 -10.192 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.035 -12.588 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.699 -12.036 -3.891 1.00 0.00 H new ATOM 281 N PHE A 20 1.538 -7.463 -1.726 1.00 0.00 N ATOM 282 CA PHE A 20 1.384 -6.029 -1.943 1.00 0.00 C ATOM 283 C PHE A 20 1.715 -5.660 -3.387 1.00 0.00 C ATOM 284 O PHE A 20 2.873 -5.715 -3.802 1.00 0.00 O ATOM 285 CB PHE A 20 2.284 -5.247 -0.985 1.00 0.00 C ATOM 286 CG PHE A 20 1.922 -5.431 0.461 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.633 -5.182 0.904 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.872 -5.853 1.378 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.298 -5.349 2.234 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.543 -6.023 2.709 1.00 0.00 C ATOM 291 CZ PHE A 20 1.254 -5.771 3.138 1.00 0.00 C ATOM 0 H PHE A 20 1.934 -7.712 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 20 0.344 -5.766 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.318 -5.558 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.231 -4.187 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.119 -4.854 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.881 -6.051 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.710 -5.150 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.292 -6.352 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.994 -5.904 4.178 1.00 0.00 H new ATOM 301 N ILE A 21 0.691 -5.283 -4.145 1.00 0.00 N ATOM 302 CA ILE A 21 0.873 -4.904 -5.541 1.00 0.00 C ATOM 303 C ILE A 21 0.693 -3.402 -5.730 1.00 0.00 C ATOM 304 O ILE A 21 -0.322 -2.832 -5.327 1.00 0.00 O ATOM 305 CB ILE A 21 -0.113 -5.648 -6.459 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.381 -7.069 -6.730 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.299 -4.887 -7.763 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.328 -7.747 -7.883 1.00 0.00 C ATOM 0 H ILE A 21 -0.273 -5.232 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 21 1.891 -5.183 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.078 -5.710 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.450 -7.039 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.248 -7.669 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.999 -5.425 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.692 -3.893 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.661 -4.797 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.074 -8.751 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.395 -7.809 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.174 -7.170 -8.795 1.00 0.00 H new ATOM 320 N ALA A 22 1.683 -2.765 -6.346 1.00 0.00 N ATOM 321 CA ALA A 22 1.632 -1.329 -6.593 1.00 0.00 C ATOM 322 C ALA A 22 0.267 -0.912 -7.128 1.00 0.00 C ATOM 323 O ALA A 22 -0.193 -1.418 -8.153 1.00 0.00 O ATOM 324 CB ALA A 22 2.729 -0.921 -7.566 1.00 0.00 C ATOM 0 H ALA A 22 2.531 -3.221 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 22 1.794 -0.817 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.679 0.154 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.702 -1.175 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.593 -1.449 -8.510 1.00 0.00 H new ATOM 330 N THR A 23 -0.382 0.014 -6.427 1.00 0.00 N ATOM 331 CA THR A 23 -1.696 0.498 -6.830 1.00 0.00 C ATOM 332 C THR A 23 -1.862 1.977 -6.502 1.00 0.00 C ATOM 333 O THR A 23 -1.322 2.467 -5.510 1.00 0.00 O ATOM 334 CB THR A 23 -2.822 -0.298 -6.144 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.079 -0.007 -6.766 1.00 0.00 O ATOM 336 CG2 THR A 23 -2.895 0.036 -4.662 1.00 0.00 C ATOM 0 H THR A 23 -0.018 0.444 -5.577 1.00 0.00 H new ATOM 0 HA THR A 23 -1.767 0.358 -7.909 1.00 0.00 H new ATOM 0 HB THR A 23 -2.602 -1.360 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.789 -0.519 -6.325 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.697 -0.538 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.947 -0.215 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.093 1.101 -4.538 1.00 0.00 H new ATOM 344 N PHE A 24 -2.612 2.683 -7.340 1.00 0.00 N ATOM 345 CA PHE A 24 -2.849 4.108 -7.139 1.00 0.00 C ATOM 346 C PHE A 24 -4.212 4.347 -6.496 1.00 0.00 C ATOM 347 O PHE A 24 -5.252 4.166 -7.130 1.00 0.00 O ATOM 348 CB PHE A 24 -2.765 4.854 -8.473 1.00 0.00 C ATOM 349 CG PHE A 24 -2.719 6.348 -8.323 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.534 6.990 -8.003 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.863 7.110 -8.499 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.489 8.364 -7.864 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.824 8.484 -8.362 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.636 9.112 -8.042 1.00 0.00 C ATOM 0 H PHE A 24 -3.067 2.292 -8.165 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.078 4.488 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.876 4.523 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.626 4.585 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.634 6.410 -7.860 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.795 6.624 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.558 8.852 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.722 9.067 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.604 10.186 -7.931 1.00 0.00 H new ATOM 364 N PHE A 25 -4.199 4.755 -5.231 1.00 0.00 N ATOM 365 CA PHE A 25 -5.433 5.018 -4.499 1.00 0.00 C ATOM 366 C PHE A 25 -5.917 6.444 -4.745 1.00 0.00 C ATOM 367 O PHE A 25 -5.587 7.361 -3.994 1.00 0.00 O ATOM 368 CB PHE A 25 -5.221 4.789 -3.002 1.00 0.00 C ATOM 369 CG PHE A 25 -4.439 3.546 -2.689 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.056 3.539 -2.782 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.086 2.382 -2.304 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.333 2.397 -2.496 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.368 1.237 -2.016 1.00 0.00 C ATOM 374 CZ PHE A 25 -2.991 1.244 -2.113 1.00 0.00 C ATOM 0 H PHE A 25 -3.348 4.911 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.195 4.328 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.702 5.650 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.192 4.731 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.537 4.438 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.163 2.370 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.256 2.405 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.884 0.337 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.429 0.349 -1.890 1.00 0.00 H new ATOM 384 N GLY A 26 -6.703 6.623 -5.802 1.00 0.00 N ATOM 385 CA GLY A 26 -7.219 7.939 -6.129 1.00 0.00 C ATOM 386 C GLY A 26 -7.920 8.594 -4.955 1.00 0.00 C ATOM 387 O GLY A 26 -8.164 9.800 -4.965 1.00 0.00 O ATOM 0 H GLY A 26 -6.992 5.880 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.399 8.576 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.915 7.856 -6.964 1.00 0.00 H new ATOM 391 N GLN A 27 -8.245 7.798 -3.942 1.00 0.00 N ATOM 392 CA GLN A 27 -8.925 8.308 -2.757 1.00 0.00 C ATOM 393 C GLN A 27 -8.139 7.976 -1.493 1.00 0.00 C ATOM 394 O GLN A 27 -7.386 7.003 -1.438 1.00 0.00 O ATOM 395 CB GLN A 27 -10.336 7.724 -2.662 1.00 0.00 C ATOM 396 CG GLN A 27 -10.367 6.205 -2.650 1.00 0.00 C ATOM 397 CD GLN A 27 -11.777 5.650 -2.575 1.00 0.00 C ATOM 398 OE1 GLN A 27 -12.244 4.984 -3.499 1.00 0.00 O ATOM 399 NE2 GLN A 27 -12.462 5.923 -1.471 1.00 0.00 N ATOM 0 H GLN A 27 -8.049 6.797 -3.918 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.993 9.392 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.814 8.096 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.927 8.084 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.880 5.828 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.791 5.840 -1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.035 6.479 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.415 5.577 -1.364 1.00 0.00 H new ATOM 408 N PRO A 28 -8.315 8.802 -0.452 1.00 0.00 N ATOM 409 CA PRO A 28 -7.631 8.616 0.831 1.00 0.00 C ATOM 410 C PRO A 28 -8.140 7.395 1.589 1.00 0.00 C ATOM 411 O PRO A 28 -9.036 7.499 2.426 1.00 0.00 O ATOM 412 CB PRO A 28 -7.963 9.898 1.599 1.00 0.00 C ATOM 413 CG PRO A 28 -9.242 10.376 1.004 1.00 0.00 C ATOM 414 CD PRO A 28 -9.197 9.982 -0.446 1.00 0.00 C ATOM 0 HA PRO A 28 -6.562 8.444 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.071 9.703 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.173 10.641 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.098 9.924 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.343 11.456 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.189 9.744 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.800 10.784 -1.068 1.00 0.00 H new ATOM 422 N THR A 29 -7.563 6.235 1.289 1.00 0.00 N ATOM 423 CA THR A 29 -7.959 4.993 1.941 1.00 0.00 C ATOM 424 C THR A 29 -7.469 4.950 3.385 1.00 0.00 C ATOM 425 O THR A 29 -6.621 5.747 3.787 1.00 0.00 O ATOM 426 CB THR A 29 -7.413 3.765 1.189 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.704 3.877 -0.208 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.018 2.481 1.738 1.00 0.00 C ATOM 0 H THR A 29 -6.820 6.130 0.598 1.00 0.00 H new ATOM 0 HA THR A 29 -9.049 4.963 1.928 1.00 0.00 H new ATOM 0 HB THR A 29 -6.333 3.729 1.332 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.988 3.454 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.617 1.627 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.769 2.384 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.101 2.510 1.622 1.00 0.00 H new ATOM 436 N PHE A 30 -8.009 4.013 4.159 1.00 0.00 N ATOM 437 CA PHE A 30 -7.626 3.866 5.558 1.00 0.00 C ATOM 438 C PHE A 30 -6.529 2.818 5.715 1.00 0.00 C ATOM 439 O PHE A 30 -6.793 1.616 5.682 1.00 0.00 O ATOM 440 CB PHE A 30 -8.842 3.479 6.403 1.00 0.00 C ATOM 441 CG PHE A 30 -8.621 3.638 7.880 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.386 4.889 8.428 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.649 2.537 8.720 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.182 5.038 9.786 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.446 2.680 10.080 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.213 3.933 10.614 1.00 0.00 C ATOM 0 H PHE A 30 -8.712 3.346 3.841 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.240 4.824 5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.692 4.091 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.105 2.442 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.362 5.757 7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.832 1.556 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.998 6.018 10.200 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.469 1.814 10.724 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.056 4.048 11.676 1.00 0.00 H new ATOM 456 N CYS A 31 -5.296 3.282 5.886 1.00 0.00 N ATOM 457 CA CYS A 31 -4.156 2.387 6.048 1.00 0.00 C ATOM 458 C CYS A 31 -4.370 1.443 7.227 1.00 0.00 C ATOM 459 O CYS A 31 -5.214 1.688 8.088 1.00 0.00 O ATOM 460 CB CYS A 31 -2.872 3.193 6.251 1.00 0.00 C ATOM 461 SG CYS A 31 -1.384 2.171 6.497 1.00 0.00 S ATOM 0 H CYS A 31 -5.060 4.274 5.916 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.062 1.791 5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.719 3.836 5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.998 3.846 7.115 1.00 0.00 H new ATOM 466 N SER A 32 -3.597 0.360 7.259 1.00 0.00 N ATOM 467 CA SER A 32 -3.704 -0.622 8.330 1.00 0.00 C ATOM 468 C SER A 32 -2.593 -0.429 9.358 1.00 0.00 C ATOM 469 O SER A 32 -2.799 -0.622 10.556 1.00 0.00 O ATOM 470 CB SER A 32 -3.643 -2.040 7.759 1.00 0.00 C ATOM 471 OG SER A 32 -3.552 -3.004 8.793 1.00 0.00 O ATOM 0 H SER A 32 -2.891 0.142 6.556 1.00 0.00 H new ATOM 0 HA SER A 32 -4.664 -0.478 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.531 -2.231 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.783 -2.131 7.096 1.00 0.00 H new ATOM 0 HG SER A 32 -3.516 -3.902 8.401 1.00 0.00 H new ATOM 477 N VAL A 33 -1.413 -0.045 8.880 1.00 0.00 N ATOM 478 CA VAL A 33 -0.268 0.176 9.755 1.00 0.00 C ATOM 479 C VAL A 33 -0.432 1.460 10.560 1.00 0.00 C ATOM 480 O VAL A 33 -0.661 1.423 11.769 1.00 0.00 O ATOM 481 CB VAL A 33 1.045 0.250 8.954 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.200 0.657 9.857 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.331 -1.082 8.277 1.00 0.00 C ATOM 0 H VAL A 33 -1.225 0.119 7.891 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.222 -0.674 10.436 1.00 0.00 H new ATOM 0 HB VAL A 33 0.936 1.010 8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.119 0.704 9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.995 1.636 10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.314 -0.077 10.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.262 -1.012 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.421 -1.862 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.515 -1.327 7.597 1.00 0.00 H new ATOM 493 N CYS A 34 -0.315 2.597 9.881 1.00 0.00 N ATOM 494 CA CYS A 34 -0.451 3.894 10.531 1.00 0.00 C ATOM 495 C CYS A 34 -1.912 4.333 10.571 1.00 0.00 C ATOM 496 O CYS A 34 -2.341 5.021 11.498 1.00 0.00 O ATOM 497 CB CYS A 34 0.388 4.945 9.802 1.00 0.00 C ATOM 498 SG CYS A 34 -0.261 5.410 8.164 1.00 0.00 S ATOM 0 H CYS A 34 -0.126 2.645 8.880 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.090 3.797 11.555 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.451 5.839 10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.403 4.566 9.684 1.00 0.00 H new ATOM 503 N LYS A 35 -2.673 3.931 9.558 1.00 0.00 N ATOM 504 CA LYS A 35 -4.086 4.280 9.476 1.00 0.00 C ATOM 505 C LYS A 35 -4.263 5.758 9.144 1.00 0.00 C ATOM 506 O LYS A 35 -5.070 6.450 9.763 1.00 0.00 O ATOM 507 CB LYS A 35 -4.791 3.954 10.796 1.00 0.00 C ATOM 508 CG LYS A 35 -4.413 2.600 11.369 1.00 0.00 C ATOM 509 CD LYS A 35 -5.547 2.005 12.187 1.00 0.00 C ATOM 510 CE LYS A 35 -5.494 2.468 13.634 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.548 1.821 14.463 1.00 0.00 N ATOM 0 H LYS A 35 -2.334 3.363 8.782 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.534 3.690 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.553 4.727 11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.869 3.985 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.153 1.920 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.527 2.703 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.503 2.291 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.492 0.917 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.513 2.241 14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.615 3.551 13.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.478 2.163 15.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.485 2.058 14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.418 0.789 14.447 1.00 0.00 H new ATOM 525 N ASP A 36 -3.504 6.234 8.163 1.00 0.00 N ATOM 526 CA ASP A 36 -3.580 7.629 7.746 1.00 0.00 C ATOM 527 C ASP A 36 -4.538 7.794 6.571 1.00 0.00 C ATOM 528 O ASP A 36 -5.171 6.833 6.132 1.00 0.00 O ATOM 529 CB ASP A 36 -2.191 8.145 7.365 1.00 0.00 C ATOM 530 CG ASP A 36 -1.395 8.608 8.568 1.00 0.00 C ATOM 531 OD1 ASP A 36 -1.580 8.030 9.660 1.00 0.00 O ATOM 532 OD2 ASP A 36 -0.587 9.549 8.420 1.00 0.00 O ATOM 0 H ASP A 36 -2.829 5.674 7.642 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.959 8.213 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.642 7.356 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.294 8.971 6.661 1.00 0.00 H new ATOM 537 N PHE A 37 -4.641 9.019 6.066 1.00 0.00 N ATOM 538 CA PHE A 37 -5.525 9.311 4.943 1.00 0.00 C ATOM 539 C PHE A 37 -4.992 8.688 3.656 1.00 0.00 C ATOM 540 O PHE A 37 -5.757 8.354 2.751 1.00 0.00 O ATOM 541 CB PHE A 37 -5.675 10.824 4.766 1.00 0.00 C ATOM 542 CG PHE A 37 -6.032 11.543 6.035 1.00 0.00 C ATOM 543 CD1 PHE A 37 -7.345 11.591 6.475 1.00 0.00 C ATOM 544 CD2 PHE A 37 -5.054 12.173 6.788 1.00 0.00 C ATOM 545 CE1 PHE A 37 -7.676 12.251 7.643 1.00 0.00 C ATOM 546 CE2 PHE A 37 -5.379 12.834 7.957 1.00 0.00 C ATOM 547 CZ PHE A 37 -6.692 12.875 8.384 1.00 0.00 C ATOM 0 H PHE A 37 -4.124 9.825 6.416 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.502 8.878 5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.741 11.231 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.443 11.020 4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.119 11.107 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.026 12.147 6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.703 12.279 7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.607 13.318 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.948 13.394 9.296 1.00 0.00 H new ATOM 557 N VAL A 38 -3.674 8.536 3.581 1.00 0.00 N ATOM 558 CA VAL A 38 -3.037 7.952 2.406 1.00 0.00 C ATOM 559 C VAL A 38 -3.384 8.737 1.146 1.00 0.00 C ATOM 560 O VAL A 38 -3.825 8.167 0.149 1.00 0.00 O ATOM 561 CB VAL A 38 -3.456 6.482 2.213 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.639 5.836 1.104 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.307 5.711 3.515 1.00 0.00 C ATOM 0 H VAL A 38 -3.026 8.809 4.320 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.961 7.997 2.574 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.506 6.456 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.948 4.798 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.801 6.376 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.581 5.871 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.607 4.675 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.267 5.743 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.940 6.162 4.279 1.00 0.00 H new ATOM 573 N TRP A 39 -3.180 10.050 1.199 1.00 0.00 N ATOM 574 CA TRP A 39 -3.471 10.914 0.062 1.00 0.00 C ATOM 575 C TRP A 39 -2.737 12.244 0.187 1.00 0.00 C ATOM 576 O TRP A 39 -2.137 12.538 1.221 1.00 0.00 O ATOM 577 CB TRP A 39 -4.977 11.158 -0.049 1.00 0.00 C ATOM 578 CG TRP A 39 -5.461 12.284 0.812 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.026 12.603 2.067 1.00 0.00 C ATOM 580 CD2 TRP A 39 -6.476 13.240 0.483 1.00 0.00 C ATOM 581 NE1 TRP A 39 -5.708 13.698 2.538 1.00 0.00 N ATOM 582 CE2 TRP A 39 -6.603 14.109 1.585 1.00 0.00 C ATOM 583 CE3 TRP A 39 -7.287 13.447 -0.635 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -7.508 15.166 1.597 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -8.186 14.497 -0.620 1.00 0.00 C ATOM 586 CH2 TRP A 39 -8.291 15.346 0.489 1.00 0.00 C ATOM 0 H TRP A 39 -2.815 10.538 2.017 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.124 10.412 -0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.228 11.371 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.507 10.246 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.258 12.072 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.571 14.135 3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.213 12.799 -1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.590 15.822 2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.819 14.666 -1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -9.003 16.158 0.469 1.00 0.00 H new ATOM 597 N GLY A 40 -2.788 13.047 -0.871 1.00 0.00 N ATOM 598 CA GLY A 40 -2.124 14.337 -0.858 1.00 0.00 C ATOM 599 C GLY A 40 -1.024 14.433 -1.897 1.00 0.00 C ATOM 600 O GLY A 40 -1.291 14.396 -3.099 1.00 0.00 O ATOM 0 H GLY A 40 -3.278 12.827 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.859 15.122 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.702 14.515 0.131 1.00 0.00 H new ATOM 604 N LEU A 41 0.214 14.560 -1.435 1.00 0.00 N ATOM 605 CA LEU A 41 1.360 14.665 -2.334 1.00 0.00 C ATOM 606 C LEU A 41 1.325 13.564 -3.390 1.00 0.00 C ATOM 607 O LEU A 41 1.316 12.378 -3.064 1.00 0.00 O ATOM 608 CB LEU A 41 2.664 14.585 -1.540 1.00 0.00 C ATOM 609 CG LEU A 41 3.860 15.329 -2.138 1.00 0.00 C ATOM 610 CD1 LEU A 41 4.230 14.743 -3.492 1.00 0.00 C ATOM 611 CD2 LEU A 41 3.556 16.814 -2.262 1.00 0.00 C ATOM 0 H LEU A 41 0.451 14.593 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 41 1.308 15.629 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.481 14.976 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.934 13.535 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 41 4.711 15.208 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.082 15.285 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.491 13.691 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.382 14.833 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.418 17.327 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.691 16.955 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.341 17.225 -1.276 1.00 0.00 H new ATOM 623 N ASN A 42 1.307 13.967 -4.656 1.00 0.00 N ATOM 624 CA ASN A 42 1.277 13.015 -5.760 1.00 0.00 C ATOM 625 C ASN A 42 2.163 11.809 -5.464 1.00 0.00 C ATOM 626 O ASN A 42 3.382 11.865 -5.631 1.00 0.00 O ATOM 627 CB ASN A 42 1.729 13.690 -7.056 1.00 0.00 C ATOM 628 CG ASN A 42 0.719 14.698 -7.567 1.00 0.00 C ATOM 629 OD1 ASN A 42 0.250 15.556 -6.820 1.00 0.00 O ATOM 630 ND2 ASN A 42 0.378 14.597 -8.847 1.00 0.00 N ATOM 0 H ASN A 42 1.313 14.946 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 42 0.251 12.668 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.683 14.189 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.897 12.930 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.298 15.247 -9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.793 13.869 -9.429 1.00 0.00 H new ATOM 637 N LYS A 43 1.543 10.719 -5.025 1.00 0.00 N ATOM 638 CA LYS A 43 2.274 9.498 -4.708 1.00 0.00 C ATOM 639 C LYS A 43 1.317 8.325 -4.514 1.00 0.00 C ATOM 640 O LYS A 43 0.140 8.518 -4.214 1.00 0.00 O ATOM 641 CB LYS A 43 3.116 9.696 -3.446 1.00 0.00 C ATOM 642 CG LYS A 43 4.347 8.809 -3.389 1.00 0.00 C ATOM 643 CD LYS A 43 5.074 8.947 -2.062 1.00 0.00 C ATOM 644 CE LYS A 43 6.122 7.859 -1.885 1.00 0.00 C ATOM 645 NZ LYS A 43 7.443 8.266 -2.439 1.00 0.00 N ATOM 0 H LYS A 43 0.535 10.656 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 43 2.933 9.272 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.427 10.739 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.496 9.499 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.055 7.770 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.023 9.070 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.551 9.926 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.354 8.897 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.229 7.626 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.786 6.947 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.130 7.498 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.347 8.464 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.776 9.121 -1.950 1.00 0.00 H new ATOM 659 N GLN A 44 1.833 7.113 -4.687 1.00 0.00 N ATOM 660 CA GLN A 44 1.023 5.910 -4.529 1.00 0.00 C ATOM 661 C GLN A 44 1.487 5.095 -3.327 1.00 0.00 C ATOM 662 O GLN A 44 2.503 5.406 -2.707 1.00 0.00 O ATOM 663 CB GLN A 44 1.091 5.055 -5.797 1.00 0.00 C ATOM 664 CG GLN A 44 2.488 4.552 -6.117 1.00 0.00 C ATOM 665 CD GLN A 44 2.555 3.815 -7.440 1.00 0.00 C ATOM 666 OE1 GLN A 44 2.159 2.548 -7.432 1.00 0.00 O flip ATOM 667 NE2 GLN A 44 2.956 4.380 -8.459 1.00 0.00 N flip ATOM 0 H GLN A 44 2.806 6.937 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.009 6.217 -4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.423 4.201 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.723 5.640 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.177 5.396 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.823 3.889 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.251 5.356 -8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.993 3.872 -9.343 1.00 0.00 H new ATOM 676 N GLY A 45 0.734 4.048 -3.001 1.00 0.00 N ATOM 677 CA GLY A 45 1.084 3.205 -1.873 1.00 0.00 C ATOM 678 C GLY A 45 1.160 1.738 -2.247 1.00 0.00 C ATOM 679 O GLY A 45 1.736 1.381 -3.275 1.00 0.00 O ATOM 0 H GLY A 45 -0.112 3.769 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.045 3.524 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.346 3.337 -1.082 1.00 0.00 H new ATOM 683 N TYR A 46 0.578 0.885 -1.411 1.00 0.00 N ATOM 684 CA TYR A 46 0.585 -0.552 -1.658 1.00 0.00 C ATOM 685 C TYR A 46 -0.723 -1.190 -1.201 1.00 0.00 C ATOM 686 O TYR A 46 -1.321 -0.767 -0.212 1.00 0.00 O ATOM 687 CB TYR A 46 1.765 -1.207 -0.937 1.00 0.00 C ATOM 688 CG TYR A 46 3.113 -0.802 -1.488 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.340 -0.753 -2.858 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.159 -0.464 -0.638 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.571 -0.384 -3.365 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.392 -0.092 -1.136 1.00 0.00 C ATOM 693 CZ TYR A 46 5.593 -0.054 -2.500 1.00 0.00 C ATOM 694 OH TYR A 46 6.820 0.317 -3.001 1.00 0.00 O ATOM 0 H TYR A 46 0.096 1.164 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 46 0.689 -0.711 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.722 -0.948 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.665 -2.290 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.541 -1.008 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.005 -0.493 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.732 -0.354 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.194 0.168 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 46 6.701 0.748 -3.873 1.00 0.00 H new ATOM 704 N LYS A 47 -1.160 -2.211 -1.929 1.00 0.00 N ATOM 705 CA LYS A 47 -2.397 -2.911 -1.600 1.00 0.00 C ATOM 706 C LYS A 47 -2.292 -4.393 -1.947 1.00 0.00 C ATOM 707 O LYS A 47 -2.065 -4.756 -3.102 1.00 0.00 O ATOM 708 CB LYS A 47 -3.577 -2.284 -2.347 1.00 0.00 C ATOM 709 CG LYS A 47 -4.848 -3.114 -2.282 1.00 0.00 C ATOM 710 CD LYS A 47 -6.073 -2.283 -2.626 1.00 0.00 C ATOM 711 CE LYS A 47 -7.354 -2.971 -2.180 1.00 0.00 C ATOM 712 NZ LYS A 47 -7.485 -2.992 -0.697 1.00 0.00 N ATOM 0 H LYS A 47 -0.677 -2.573 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.563 -2.818 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.776 -1.296 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.300 -2.140 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.771 -3.954 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.960 -3.533 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.998 -1.306 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.107 -2.110 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.212 -2.457 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.369 -3.992 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.459 -3.247 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.826 -3.692 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.261 -2.051 -0.315 1.00 0.00 H new ATOM 726 N CYS A 48 -2.460 -5.245 -0.942 1.00 0.00 N ATOM 727 CA CYS A 48 -2.386 -6.687 -1.140 1.00 0.00 C ATOM 728 C CYS A 48 -3.629 -7.202 -1.859 1.00 0.00 C ATOM 729 O CYS A 48 -4.746 -7.081 -1.355 1.00 0.00 O ATOM 730 CB CYS A 48 -2.229 -7.400 0.205 1.00 0.00 C ATOM 731 SG CYS A 48 -1.826 -9.171 0.065 1.00 0.00 S ATOM 0 H CYS A 48 -2.649 -4.961 0.019 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.515 -6.899 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.445 -6.904 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.154 -7.292 0.771 1.00 0.00 H new ATOM 736 N ARG A 49 -3.427 -7.779 -3.040 1.00 0.00 N ATOM 737 CA ARG A 49 -4.530 -8.312 -3.828 1.00 0.00 C ATOM 738 C ARG A 49 -4.997 -9.655 -3.275 1.00 0.00 C ATOM 739 O ARG A 49 -5.800 -10.348 -3.898 1.00 0.00 O ATOM 740 CB ARG A 49 -4.111 -8.469 -5.291 1.00 0.00 C ATOM 741 CG ARG A 49 -2.787 -9.192 -5.471 1.00 0.00 C ATOM 742 CD ARG A 49 -2.685 -9.838 -6.843 1.00 0.00 C ATOM 743 NE ARG A 49 -3.509 -11.041 -6.944 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.994 -11.505 -8.090 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.741 -10.871 -9.226 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.736 -12.605 -8.100 1.00 0.00 N ATOM 0 H ARG A 49 -2.509 -7.889 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.359 -7.607 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.889 -9.014 -5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.041 -7.482 -5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.966 -8.488 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.681 -9.955 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.994 -9.122 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.645 -10.093 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.723 -11.552 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.172 -10.024 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.115 -11.230 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.934 -13.095 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.108 -12.961 -8.980 1.00 0.00 H new ATOM 760 N GLN A 50 -4.484 -10.015 -2.103 1.00 0.00 N ATOM 761 CA GLN A 50 -4.846 -11.277 -1.467 1.00 0.00 C ATOM 762 C GLN A 50 -5.770 -11.040 -0.277 1.00 0.00 C ATOM 763 O GLN A 50 -6.869 -11.591 -0.212 1.00 0.00 O ATOM 764 CB GLN A 50 -3.590 -12.022 -1.012 1.00 0.00 C ATOM 765 CG GLN A 50 -2.604 -12.295 -2.136 1.00 0.00 C ATOM 766 CD GLN A 50 -2.961 -13.531 -2.939 1.00 0.00 C ATOM 767 OE1 GLN A 50 -3.415 -13.435 -4.080 1.00 0.00 O ATOM 768 NE2 GLN A 50 -2.756 -14.701 -2.346 1.00 0.00 N ATOM 0 H GLN A 50 -3.817 -9.452 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.375 -11.886 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.092 -11.439 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.883 -12.969 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.569 -11.432 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.605 -12.415 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.378 -14.734 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.977 -15.567 -2.837 1.00 0.00 H new ATOM 777 N CYS A 51 -5.317 -10.218 0.664 1.00 0.00 N ATOM 778 CA CYS A 51 -6.102 -9.909 1.852 1.00 0.00 C ATOM 779 C CYS A 51 -6.734 -8.524 1.743 1.00 0.00 C ATOM 780 O CYS A 51 -7.588 -8.155 2.546 1.00 0.00 O ATOM 781 CB CYS A 51 -5.223 -9.982 3.103 1.00 0.00 C ATOM 782 SG CYS A 51 -3.766 -8.890 3.052 1.00 0.00 S ATOM 0 H CYS A 51 -4.409 -9.754 0.626 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.899 -10.648 1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.826 -9.725 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.889 -11.010 3.240 1.00 0.00 H new ATOM 787 N ASN A 52 -6.306 -7.763 0.740 1.00 0.00 N ATOM 788 CA ASN A 52 -6.830 -6.419 0.524 1.00 0.00 C ATOM 789 C ASN A 52 -6.376 -5.474 1.633 1.00 0.00 C ATOM 790 O ASN A 52 -7.193 -4.803 2.262 1.00 0.00 O ATOM 791 CB ASN A 52 -8.358 -6.449 0.457 1.00 0.00 C ATOM 792 CG ASN A 52 -8.883 -7.710 -0.202 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.247 -8.672 0.474 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.924 -7.710 -1.530 1.00 0.00 N ATOM 0 H ASN A 52 -5.599 -8.054 0.065 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.439 -6.052 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.765 -6.373 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.712 -5.579 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.268 -8.530 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.612 -6.890 -2.050 1.00 0.00 H new ATOM 801 N ALA A 53 -5.068 -5.428 1.866 1.00 0.00 N ATOM 802 CA ALA A 53 -4.506 -4.564 2.896 1.00 0.00 C ATOM 803 C ALA A 53 -3.798 -3.363 2.279 1.00 0.00 C ATOM 804 O ALA A 53 -2.687 -3.483 1.765 1.00 0.00 O ATOM 805 CB ALA A 53 -3.546 -5.349 3.778 1.00 0.00 C ATOM 0 H ALA A 53 -4.378 -5.979 1.355 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.326 -4.193 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.134 -4.691 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.080 -6.171 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.736 -5.749 3.168 1.00 0.00 H new ATOM 811 N ALA A 54 -4.450 -2.206 2.332 1.00 0.00 N ATOM 812 CA ALA A 54 -3.881 -0.983 1.780 1.00 0.00 C ATOM 813 C ALA A 54 -2.985 -0.284 2.797 1.00 0.00 C ATOM 814 O ALA A 54 -3.420 0.033 3.904 1.00 0.00 O ATOM 815 CB ALA A 54 -4.989 -0.047 1.319 1.00 0.00 C ATOM 0 H ALA A 54 -5.372 -2.090 2.752 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.267 -1.254 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.550 0.862 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.586 -0.540 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.626 0.208 2.166 1.00 0.00 H new ATOM 821 N ILE A 55 -1.735 -0.049 2.416 1.00 0.00 N ATOM 822 CA ILE A 55 -0.779 0.612 3.296 1.00 0.00 C ATOM 823 C ILE A 55 0.098 1.589 2.520 1.00 0.00 C ATOM 824 O ILE A 55 0.065 1.628 1.290 1.00 0.00 O ATOM 825 CB ILE A 55 0.122 -0.409 4.015 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.097 -1.049 3.024 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.724 -1.474 4.698 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.236 -1.790 3.690 1.00 0.00 C ATOM 0 H ILE A 55 -1.360 -0.306 1.503 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.359 1.159 4.039 1.00 0.00 H new ATOM 0 HB ILE A 55 0.700 0.112 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.550 -1.740 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.508 -0.273 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.073 -2.188 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.381 -1.003 5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.325 -1.994 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.887 -2.218 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.808 -1.098 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.835 -2.589 4.314 1.00 0.00 H new ATOM 840 N HIS A 56 0.882 2.377 3.247 1.00 0.00 N ATOM 841 CA HIS A 56 1.771 3.353 2.627 1.00 0.00 C ATOM 842 C HIS A 56 3.061 2.691 2.152 1.00 0.00 C ATOM 843 O HIS A 56 3.505 1.693 2.720 1.00 0.00 O ATOM 844 CB HIS A 56 2.095 4.477 3.613 1.00 0.00 C ATOM 845 CG HIS A 56 0.895 5.268 4.037 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.055 4.783 4.910 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.495 6.516 3.702 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.989 5.699 5.094 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.679 6.761 4.372 1.00 0.00 N ATOM 0 H HIS A 56 0.920 2.359 4.266 1.00 0.00 H new ATOM 0 HA HIS A 56 1.260 3.774 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.568 4.049 4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.821 5.150 3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.004 7.194 3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.858 5.597 5.727 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.223 7.622 4.320 1.00 0.00 H new ATOM 857 N LYS A 57 3.656 3.250 1.105 1.00 0.00 N ATOM 858 CA LYS A 57 4.894 2.715 0.551 1.00 0.00 C ATOM 859 C LYS A 57 5.969 2.608 1.628 1.00 0.00 C ATOM 860 O LYS A 57 6.900 1.810 1.513 1.00 0.00 O ATOM 861 CB LYS A 57 5.391 3.601 -0.594 1.00 0.00 C ATOM 862 CG LYS A 57 6.585 3.025 -1.333 1.00 0.00 C ATOM 863 CD LYS A 57 7.897 3.500 -0.730 1.00 0.00 C ATOM 864 CE LYS A 57 9.000 3.567 -1.775 1.00 0.00 C ATOM 865 NZ LYS A 57 8.834 4.736 -2.682 1.00 0.00 N ATOM 0 H LYS A 57 3.301 4.075 0.622 1.00 0.00 H new ATOM 0 HA LYS A 57 4.688 1.716 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.577 3.757 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.658 4.580 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.542 1.936 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.539 3.316 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.758 4.484 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.195 2.825 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.968 3.628 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.000 2.649 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.706 4.876 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.041 4.562 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.639 5.588 -2.118 1.00 0.00 H new ATOM 879 N LYS A 58 5.834 3.414 2.675 1.00 0.00 N ATOM 880 CA LYS A 58 6.792 3.409 3.774 1.00 0.00 C ATOM 881 C LYS A 58 6.320 2.496 4.902 1.00 0.00 C ATOM 882 O LYS A 58 7.131 1.906 5.616 1.00 0.00 O ATOM 883 CB LYS A 58 6.998 4.829 4.306 1.00 0.00 C ATOM 884 CG LYS A 58 5.824 5.351 5.117 1.00 0.00 C ATOM 885 CD LYS A 58 6.241 6.493 6.028 1.00 0.00 C ATOM 886 CE LYS A 58 5.062 7.389 6.375 1.00 0.00 C ATOM 887 NZ LYS A 58 5.451 8.485 7.303 1.00 0.00 N ATOM 0 H LYS A 58 5.069 4.080 2.786 1.00 0.00 H new ATOM 0 HA LYS A 58 7.740 3.029 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.895 4.849 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.176 5.501 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.037 5.690 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.405 4.542 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.675 6.090 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.017 7.083 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.650 7.817 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.273 6.790 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.619 9.072 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.821 8.078 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.185 9.072 6.858 1.00 0.00 H new ATOM 901 N CYS A 59 5.006 2.383 5.055 1.00 0.00 N ATOM 902 CA CYS A 59 4.426 1.541 6.094 1.00 0.00 C ATOM 903 C CYS A 59 4.745 0.070 5.845 1.00 0.00 C ATOM 904 O CYS A 59 4.607 -0.765 6.738 1.00 0.00 O ATOM 905 CB CYS A 59 2.910 1.742 6.157 1.00 0.00 C ATOM 906 SG CYS A 59 2.388 3.146 7.193 1.00 0.00 S ATOM 0 H CYS A 59 4.321 2.864 4.472 1.00 0.00 H new ATOM 0 HA CYS A 59 4.864 1.833 7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.532 1.890 5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.449 0.831 6.539 1.00 0.00 H new ATOM 911 N ILE A 60 5.172 -0.238 4.624 1.00 0.00 N ATOM 912 CA ILE A 60 5.511 -1.606 4.257 1.00 0.00 C ATOM 913 C ILE A 60 6.665 -2.133 5.105 1.00 0.00 C ATOM 914 O ILE A 60 6.702 -3.311 5.459 1.00 0.00 O ATOM 915 CB ILE A 60 5.893 -1.712 2.769 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.552 -3.103 2.230 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.372 -1.412 2.580 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.820 -3.260 0.749 1.00 0.00 C ATOM 0 H ILE A 60 5.291 0.442 3.873 1.00 0.00 H new ATOM 0 HA ILE A 60 4.623 -2.211 4.440 1.00 0.00 H new ATOM 0 HB ILE A 60 5.318 -0.975 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.131 -3.847 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.500 -3.311 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.627 -1.491 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.586 -0.402 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.964 -2.127 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.555 -4.270 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.221 -2.539 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.877 -3.084 0.550 1.00 0.00 H new ATOM 930 N ASP A 61 7.604 -1.251 5.429 1.00 0.00 N ATOM 931 CA ASP A 61 8.758 -1.625 6.238 1.00 0.00 C ATOM 932 C ASP A 61 8.416 -1.583 7.725 1.00 0.00 C ATOM 933 O ASP A 61 9.249 -1.900 8.573 1.00 0.00 O ATOM 934 CB ASP A 61 9.936 -0.694 5.946 1.00 0.00 C ATOM 935 CG ASP A 61 11.275 -1.355 6.207 1.00 0.00 C ATOM 936 OD1 ASP A 61 11.615 -1.561 7.391 1.00 0.00 O ATOM 937 OD2 ASP A 61 11.982 -1.668 5.227 1.00 0.00 O ATOM 0 H ASP A 61 7.589 -0.272 5.144 1.00 0.00 H new ATOM 0 HA ASP A 61 9.038 -2.645 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.890 -0.370 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.850 0.201 6.562 1.00 0.00 H new ATOM 942 N LYS A 62 7.186 -1.189 8.032 1.00 0.00 N ATOM 943 CA LYS A 62 6.732 -1.105 9.416 1.00 0.00 C ATOM 944 C LYS A 62 5.846 -2.295 9.771 1.00 0.00 C ATOM 945 O LYS A 62 5.844 -2.760 10.911 1.00 0.00 O ATOM 946 CB LYS A 62 5.966 0.200 9.644 1.00 0.00 C ATOM 947 CG LYS A 62 6.779 1.445 9.334 1.00 0.00 C ATOM 948 CD LYS A 62 7.938 1.610 10.303 1.00 0.00 C ATOM 949 CE LYS A 62 8.901 2.693 9.841 1.00 0.00 C ATOM 950 NZ LYS A 62 9.748 3.196 10.959 1.00 0.00 N ATOM 0 H LYS A 62 6.484 -0.922 7.341 1.00 0.00 H new ATOM 0 HA LYS A 62 7.610 -1.122 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.069 0.198 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.636 0.241 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.161 1.387 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.135 2.323 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.554 1.861 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.471 0.664 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.540 2.298 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.337 3.521 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.391 3.932 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.140 3.596 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.305 2.411 11.353 1.00 0.00 H new ATOM 964 N ILE A 63 5.097 -2.783 8.788 1.00 0.00 N ATOM 965 CA ILE A 63 4.210 -3.920 8.998 1.00 0.00 C ATOM 966 C ILE A 63 4.818 -4.919 9.976 1.00 0.00 C ATOM 967 O ILE A 63 6.019 -5.188 9.937 1.00 0.00 O ATOM 968 CB ILE A 63 3.896 -4.641 7.673 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.068 -3.738 6.759 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.162 -5.947 7.943 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.814 -4.331 5.391 1.00 0.00 C ATOM 0 H ILE A 63 5.087 -2.409 7.839 1.00 0.00 H new ATOM 0 HA ILE A 63 3.284 -3.525 9.416 1.00 0.00 H new ATOM 0 HB ILE A 63 4.835 -4.871 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.112 -3.529 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.582 -2.784 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.947 -6.445 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.785 -6.594 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.228 -5.738 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.221 -3.635 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.765 -4.515 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.272 -5.271 5.497 1.00 0.00 H new ATOM 983 N ILE A 64 3.982 -5.468 10.851 1.00 0.00 N ATOM 984 CA ILE A 64 4.437 -6.440 11.838 1.00 0.00 C ATOM 985 C ILE A 64 3.542 -7.674 11.846 1.00 0.00 C ATOM 986 O ILE A 64 2.601 -7.765 12.634 1.00 0.00 O ATOM 987 CB ILE A 64 4.469 -5.832 13.253 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.360 -4.588 13.277 1.00 0.00 C ATOM 989 CG2 ILE A 64 4.960 -6.861 14.259 1.00 0.00 C ATOM 990 CD1 ILE A 64 6.789 -4.860 12.861 1.00 0.00 C ATOM 0 H ILE A 64 2.985 -5.256 10.897 1.00 0.00 H new ATOM 0 HA ILE A 64 5.449 -6.730 11.554 1.00 0.00 H new ATOM 0 HB ILE A 64 3.457 -5.536 13.529 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.935 -3.834 12.615 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.357 -4.168 14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.977 -6.417 15.254 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.290 -7.721 14.257 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.965 -7.184 13.988 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.362 -3.934 12.902 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.232 -5.591 13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.804 -5.251 11.844 1.00 0.00 H new ATOM 1002 N GLY A 65 3.844 -8.623 10.966 1.00 0.00 N ATOM 1003 CA GLY A 65 3.058 -9.842 10.890 1.00 0.00 C ATOM 1004 C GLY A 65 3.207 -10.545 9.555 1.00 0.00 C ATOM 1005 O GLY A 65 4.247 -10.442 8.904 1.00 0.00 O ATOM 0 H GLY A 65 4.618 -8.570 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.363 -10.518 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.007 -9.604 11.057 1.00 0.00 H new ATOM 1009 N ARG A 66 2.166 -11.263 9.148 1.00 0.00 N ATOM 1010 CA ARG A 66 2.186 -11.989 7.884 1.00 0.00 C ATOM 1011 C ARG A 66 0.833 -11.900 7.184 1.00 0.00 C ATOM 1012 O ARG A 66 -0.123 -11.344 7.726 1.00 0.00 O ATOM 1013 CB ARG A 66 2.556 -13.454 8.119 1.00 0.00 C ATOM 1014 CG ARG A 66 3.907 -13.641 8.790 1.00 0.00 C ATOM 1015 CD ARG A 66 4.225 -15.113 9.001 1.00 0.00 C ATOM 1016 NE ARG A 66 5.522 -15.307 9.642 1.00 0.00 N ATOM 1017 CZ ARG A 66 6.673 -15.332 8.978 1.00 0.00 C ATOM 1018 NH1 ARG A 66 6.686 -15.176 7.661 1.00 0.00 N ATOM 1019 NH2 ARG A 66 7.813 -15.512 9.632 1.00 0.00 N ATOM 0 H ARG A 66 1.298 -11.358 9.675 1.00 0.00 H new ATOM 0 HA ARG A 66 2.938 -11.530 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.787 -13.920 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.559 -13.977 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.685 -13.184 8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.912 -13.125 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.446 -15.568 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.215 -15.627 8.040 1.00 0.00 H new ATOM 0 HE ARG A 66 5.546 -15.430 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.811 -15.036 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.571 -15.196 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.806 -15.631 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.696 -15.531 9.122 1.00 0.00 H new ATOM 1033 N CYS A 67 0.759 -12.454 5.978 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.476 -12.437 5.203 1.00 0.00 C ATOM 1035 C CYS A 67 -1.386 -13.594 5.604 1.00 0.00 C ATOM 1036 O CYS A 67 -0.920 -14.625 6.092 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.165 -12.512 3.708 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.596 -12.177 2.632 1.00 0.00 S ATOM 0 H CYS A 67 1.540 -12.920 5.516 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.994 -11.501 5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.625 -11.798 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.224 -13.504 3.478 1.00 0.00 H new ATOM 1043 N THR A 68 -2.686 -13.418 5.394 1.00 0.00 N ATOM 1044 CA THR A 68 -3.662 -14.446 5.735 1.00 0.00 C ATOM 1045 C THR A 68 -4.213 -15.116 4.481 1.00 0.00 C ATOM 1046 O THR A 68 -4.478 -16.317 4.474 1.00 0.00 O ATOM 1047 CB THR A 68 -4.832 -13.863 6.549 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.391 -12.736 5.865 1.00 0.00 O ATOM 1049 CG2 THR A 68 -4.371 -13.445 7.936 1.00 0.00 C ATOM 0 H THR A 68 -3.088 -12.573 4.989 1.00 0.00 H new ATOM 0 HA THR A 68 -3.142 -15.187 6.342 1.00 0.00 H new ATOM 0 HB THR A 68 -5.593 -14.636 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.135 -12.372 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.215 -13.036 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.974 -14.312 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.593 -12.687 7.848 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.383 -14.331 3.422 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.903 -14.866 2.177 1.00 0.00 C ATOM 1059 C GLY A 69 -3.839 -15.576 1.363 1.00 0.00 C ATOM 1060 O GLY A 69 -3.701 -15.335 0.163 1.00 0.00 O ATOM 0 H GLY A 69 -4.170 -13.334 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.714 -15.561 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.328 -14.055 1.586 1.00 0.00 H new ATOM 1064 N THR A 70 -3.083 -16.453 2.016 1.00 0.00 N ATOM 1065 CA THR A 70 -2.023 -17.197 1.346 1.00 0.00 C ATOM 1066 C THR A 70 -2.094 -18.682 1.687 1.00 0.00 C ATOM 1067 O THR A 70 -2.298 -19.054 2.842 1.00 0.00 O ATOM 1068 CB THR A 70 -0.631 -16.660 1.728 1.00 0.00 C ATOM 1069 OG1 THR A 70 0.383 -17.377 1.015 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.394 -16.789 3.225 1.00 0.00 C ATOM 0 H THR A 70 -3.185 -16.666 3.008 1.00 0.00 H new ATOM 0 HA THR A 70 -2.173 -17.065 0.274 1.00 0.00 H new ATOM 0 HB THR A 70 -0.586 -15.605 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.265 -17.029 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.595 -16.403 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.150 -16.218 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.457 -17.838 3.514 1.00 0.00 H new ATOM 1078 N ALA A 71 -1.924 -19.525 0.674 1.00 0.00 N ATOM 1079 CA ALA A 71 -1.966 -20.969 0.868 1.00 0.00 C ATOM 1080 C ALA A 71 -0.561 -21.560 0.893 1.00 0.00 C ATOM 1081 O ALA A 71 0.105 -21.645 -0.138 1.00 0.00 O ATOM 1082 CB ALA A 71 -2.797 -21.625 -0.226 1.00 0.00 C ATOM 0 H ALA A 71 -1.756 -19.233 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.433 -21.168 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.820 -22.703 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.813 -21.232 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.354 -21.410 -1.198 1.00 0.00 H new ATOM 1088 N ALA A 72 -0.116 -21.968 2.076 1.00 0.00 N ATOM 1089 CA ALA A 72 1.210 -22.553 2.234 1.00 0.00 C ATOM 1090 C ALA A 72 1.166 -23.774 3.146 1.00 0.00 C ATOM 1091 O ALA A 72 0.276 -23.901 3.987 1.00 0.00 O ATOM 1092 CB ALA A 72 2.181 -21.517 2.782 1.00 0.00 C ATOM 0 H ALA A 72 -0.654 -21.904 2.940 1.00 0.00 H new ATOM 0 HA ALA A 72 1.557 -22.878 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.167 -21.967 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.243 -20.676 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.829 -21.166 3.752 1.00 0.00 H new ATOM 1098 N ASN A 73 2.132 -24.670 2.974 1.00 0.00 N ATOM 1099 CA ASN A 73 2.203 -25.883 3.782 1.00 0.00 C ATOM 1100 C ASN A 73 1.854 -25.589 5.238 1.00 0.00 C ATOM 1101 O ASN A 73 2.042 -24.470 5.718 1.00 0.00 O ATOM 1102 CB ASN A 73 3.600 -26.498 3.694 1.00 0.00 C ATOM 1103 CG ASN A 73 3.793 -27.322 2.436 1.00 0.00 C ATOM 1104 OD1 ASN A 73 3.130 -27.093 1.424 1.00 0.00 O ATOM 1105 ND2 ASN A 73 4.702 -28.287 2.494 1.00 0.00 N ATOM 0 H ASN A 73 2.877 -24.580 2.283 1.00 0.00 H new ATOM 0 HA ASN A 73 1.476 -26.594 3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.346 -25.704 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.772 -27.128 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.874 -28.875 1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.228 -28.441 3.354 1.00 0.00 H new ATOM 1112 N SER A 74 1.347 -26.599 5.936 1.00 0.00 N ATOM 1113 CA SER A 74 0.968 -26.448 7.336 1.00 0.00 C ATOM 1114 C SER A 74 1.736 -27.432 8.215 1.00 0.00 C ATOM 1115 O SER A 74 1.239 -28.511 8.538 1.00 0.00 O ATOM 1116 CB SER A 74 -0.536 -26.662 7.506 1.00 0.00 C ATOM 1117 OG SER A 74 -0.942 -26.398 8.838 1.00 0.00 O ATOM 0 H SER A 74 1.189 -27.532 5.555 1.00 0.00 H new ATOM 0 HA SER A 74 1.220 -25.434 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.079 -26.010 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.793 -27.688 7.241 1.00 0.00 H new ATOM 0 HG SER A 74 -1.908 -26.541 8.920 1.00 0.00 H new ATOM 1123 N ARG A 75 2.950 -27.050 8.597 1.00 0.00 N ATOM 1124 CA ARG A 75 3.788 -27.898 9.437 1.00 0.00 C ATOM 1125 C ARG A 75 3.222 -27.989 10.852 1.00 0.00 C ATOM 1126 O ARG A 75 3.050 -29.081 11.393 1.00 0.00 O ATOM 1127 CB ARG A 75 5.217 -27.356 9.482 1.00 0.00 C ATOM 1128 CG ARG A 75 6.253 -28.399 9.868 1.00 0.00 C ATOM 1129 CD ARG A 75 7.667 -27.853 9.743 1.00 0.00 C ATOM 1130 NE ARG A 75 8.612 -28.589 10.578 1.00 0.00 N ATOM 1131 CZ ARG A 75 8.857 -28.290 11.849 1.00 0.00 C ATOM 1132 NH1 ARG A 75 8.227 -27.277 12.429 1.00 0.00 N ATOM 1133 NH2 ARG A 75 9.732 -29.006 12.545 1.00 0.00 N ATOM 0 H ARG A 75 3.375 -26.160 8.339 1.00 0.00 H new ATOM 0 HA ARG A 75 3.800 -28.898 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.472 -26.947 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.261 -26.532 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.077 -28.726 10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.143 -29.276 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.985 -27.906 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.676 -26.800 10.026 1.00 0.00 H new ATOM 0 HE ARG A 75 9.111 -29.376 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.552 -26.725 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.417 -27.050 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.217 -29.787 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.919 -28.775 13.521 1.00 0.00 H new ATOM 1147 N ASP A 76 2.938 -26.835 11.446 1.00 0.00 N ATOM 1148 CA ASP A 76 2.392 -26.784 12.797 1.00 0.00 C ATOM 1149 C ASP A 76 1.327 -25.699 12.912 1.00 0.00 C ATOM 1150 O ASP A 76 1.548 -24.551 12.522 1.00 0.00 O ATOM 1151 CB ASP A 76 3.509 -26.529 13.811 1.00 0.00 C ATOM 1152 CG ASP A 76 3.085 -26.851 15.231 1.00 0.00 C ATOM 1153 OD1 ASP A 76 2.286 -26.078 15.799 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.553 -27.873 15.773 1.00 0.00 O ATOM 0 H ASP A 76 3.077 -25.922 11.013 1.00 0.00 H new ATOM 0 HA ASP A 76 1.928 -27.747 13.012 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.379 -27.132 13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.816 -25.485 13.754 1.00 0.00 H new ATOM 1159 N THR A 77 0.168 -26.068 13.448 1.00 0.00 N ATOM 1160 CA THR A 77 -0.933 -25.128 13.613 1.00 0.00 C ATOM 1161 C THR A 77 -1.834 -25.534 14.773 1.00 0.00 C ATOM 1162 O THR A 77 -2.173 -26.706 14.928 1.00 0.00 O ATOM 1163 CB THR A 77 -1.781 -25.026 12.331 1.00 0.00 C ATOM 1164 OG1 THR A 77 -0.932 -24.808 11.198 1.00 0.00 O ATOM 1165 CG2 THR A 77 -2.792 -23.894 12.439 1.00 0.00 C ATOM 0 H THR A 77 -0.032 -27.013 13.776 1.00 0.00 H new ATOM 0 HA THR A 77 -0.489 -24.155 13.825 1.00 0.00 H new ATOM 0 HB THR A 77 -2.322 -25.964 12.204 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.131 -25.474 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.379 -23.842 11.522 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.455 -24.078 13.284 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.267 -22.950 12.588 1.00 0.00 H new ATOM 1173 N SER A 78 -2.219 -24.556 15.587 1.00 0.00 N ATOM 1174 CA SER A 78 -3.078 -24.811 16.737 1.00 0.00 C ATOM 1175 C SER A 78 -4.301 -25.627 16.329 1.00 0.00 C ATOM 1176 O SER A 78 -4.502 -26.745 16.803 1.00 0.00 O ATOM 1177 CB SER A 78 -3.520 -23.493 17.374 1.00 0.00 C ATOM 1178 OG SER A 78 -2.528 -22.996 18.256 1.00 0.00 O ATOM 0 H SER A 78 -1.949 -23.579 15.471 1.00 0.00 H new ATOM 0 HA SER A 78 -2.506 -25.384 17.467 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.720 -22.758 16.595 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.453 -23.643 17.918 1.00 0.00 H new ATOM 0 HG SER A 78 -2.833 -22.152 18.649 1.00 0.00 H new ATOM 1184 N GLY A 79 -5.117 -25.059 15.447 1.00 0.00 N ATOM 1185 CA GLY A 79 -6.311 -25.746 14.989 1.00 0.00 C ATOM 1186 C GLY A 79 -6.730 -25.315 13.597 1.00 0.00 C ATOM 1187 O GLY A 79 -7.619 -24.480 13.424 1.00 0.00 O ATOM 0 H GLY A 79 -4.973 -24.135 15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.133 -26.821 14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.127 -25.555 15.686 1.00 0.00 H new ATOM 1191 N PRO A 80 -6.082 -25.892 12.575 1.00 0.00 N ATOM 1192 CA PRO A 80 -6.375 -25.577 11.174 1.00 0.00 C ATOM 1193 C PRO A 80 -7.738 -26.103 10.735 1.00 0.00 C ATOM 1194 O PRO A 80 -8.250 -27.072 11.295 1.00 0.00 O ATOM 1195 CB PRO A 80 -5.256 -26.288 10.408 1.00 0.00 C ATOM 1196 CG PRO A 80 -4.834 -27.402 11.303 1.00 0.00 C ATOM 1197 CD PRO A 80 -5.013 -26.896 12.708 1.00 0.00 C ATOM 0 HA PRO A 80 -6.414 -24.502 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.610 -26.664 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.427 -25.612 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.438 -28.292 11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.796 -27.680 11.118 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.297 -27.697 13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.095 -26.456 13.097 1.00 0.00 H new ATOM 1205 N SER A 81 -8.319 -25.459 9.727 1.00 0.00 N ATOM 1206 CA SER A 81 -9.624 -25.861 9.216 1.00 0.00 C ATOM 1207 C SER A 81 -9.953 -25.117 7.925 1.00 0.00 C ATOM 1208 O SER A 81 -10.199 -23.910 7.936 1.00 0.00 O ATOM 1209 CB SER A 81 -10.709 -25.596 10.261 1.00 0.00 C ATOM 1210 OG SER A 81 -10.784 -24.217 10.580 1.00 0.00 O ATOM 0 H SER A 81 -7.907 -24.658 9.249 1.00 0.00 H new ATOM 0 HA SER A 81 -9.590 -26.929 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.673 -25.938 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.498 -26.170 11.163 1.00 0.00 H new ATOM 0 HG SER A 81 -10.467 -23.687 9.819 1.00 0.00 H new ATOM 1216 N SER A 82 -9.956 -25.845 6.813 1.00 0.00 N ATOM 1217 CA SER A 82 -10.251 -25.255 5.513 1.00 0.00 C ATOM 1218 C SER A 82 -10.810 -26.302 4.555 1.00 0.00 C ATOM 1219 O SER A 82 -10.755 -27.502 4.827 1.00 0.00 O ATOM 1220 CB SER A 82 -8.990 -24.625 4.917 1.00 0.00 C ATOM 1221 OG SER A 82 -8.502 -23.582 5.745 1.00 0.00 O ATOM 0 H SER A 82 -9.757 -26.845 6.787 1.00 0.00 H new ATOM 0 HA SER A 82 -11.004 -24.480 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.221 -25.388 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.210 -24.233 3.924 1.00 0.00 H new ATOM 0 HG SER A 82 -7.695 -23.196 5.344 1.00 0.00 H new ATOM 1227 N GLY A 83 -11.348 -25.840 3.430 1.00 0.00 N ATOM 1228 CA GLY A 83 -11.910 -26.749 2.448 1.00 0.00 C ATOM 1229 C GLY A 83 -12.368 -26.035 1.193 1.00 0.00 C ATOM 1230 O GLY A 83 -12.841 -24.903 1.286 1.00 0.00 O ATOM 0 H GLY A 83 -11.405 -24.852 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.165 -27.500 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.754 -27.279 2.889 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.810 -9.846 2.332 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.321 3.747 6.584 1.00 0.00 ZN