USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 520 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 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0492 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0414 K(o=-0.041,f=-2.6!) USER MOD Single : A 25 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.9) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 30 MET CE :methyl -113:sc= -0.268 (180deg=-1.88!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.132 F(o=-1.7,f=-0.13) USER MOD Single : A 62 TYR OH : rot 134:sc= 0.73 USER MOD Single : A 66 ASN : amide:sc= -4.89! C(o=-4.9!,f=-9.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.704 12.666 6.648 1.00 0.00 N ATOM 2 CA GLY A 1 16.274 11.820 7.680 1.00 0.00 C ATOM 3 C GLY A 1 15.600 12.011 9.024 1.00 0.00 C ATOM 4 O GLY A 1 15.032 13.068 9.296 1.00 0.00 O ATOM 0 H1 GLY A 1 15.150 12.083 5.988 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.084 13.377 7.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.468 13.145 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.187 10.776 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.338 12.037 7.776 1.00 0.00 H new ATOM 8 N SER A 2 15.663 10.985 9.867 1.00 0.00 N ATOM 9 CA SER A 2 15.050 11.044 11.189 1.00 0.00 C ATOM 10 C SER A 2 15.340 12.381 11.864 1.00 0.00 C ATOM 11 O SER A 2 16.496 12.731 12.100 1.00 0.00 O ATOM 12 CB SER A 2 15.561 9.897 12.063 1.00 0.00 C ATOM 13 OG SER A 2 14.888 9.866 13.309 1.00 0.00 O ATOM 0 H SER A 2 16.132 10.104 9.658 1.00 0.00 H new ATOM 0 HA SER A 2 13.971 10.946 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.417 8.949 11.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.632 10.011 12.228 1.00 0.00 H new ATOM 0 HG SER A 2 15.232 9.123 13.848 1.00 0.00 H new ATOM 19 N SER A 3 14.281 13.123 12.171 1.00 0.00 N ATOM 20 CA SER A 3 14.421 14.424 12.816 1.00 0.00 C ATOM 21 C SER A 3 14.335 14.290 14.333 1.00 0.00 C ATOM 22 O SER A 3 15.157 14.843 15.064 1.00 0.00 O ATOM 23 CB SER A 3 13.340 15.384 12.315 1.00 0.00 C ATOM 24 OG SER A 3 13.548 15.720 10.954 1.00 0.00 O ATOM 0 H SER A 3 13.317 12.846 11.984 1.00 0.00 H new ATOM 0 HA SER A 3 15.401 14.826 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.358 14.925 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.344 16.290 12.921 1.00 0.00 H new ATOM 0 HG SER A 3 12.843 16.333 10.657 1.00 0.00 H new ATOM 30 N GLY A 4 13.333 13.552 14.800 1.00 0.00 N ATOM 31 CA GLY A 4 13.157 13.359 16.228 1.00 0.00 C ATOM 32 C GLY A 4 12.509 14.554 16.899 1.00 0.00 C ATOM 33 O GLY A 4 11.297 14.571 17.116 1.00 0.00 O ATOM 0 H GLY A 4 12.640 13.084 14.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.544 12.474 16.399 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.127 13.169 16.688 1.00 0.00 H new ATOM 37 N SER A 5 13.318 15.555 17.231 1.00 0.00 N ATOM 38 CA SER A 5 12.817 16.757 17.887 1.00 0.00 C ATOM 39 C SER A 5 12.063 17.641 16.899 1.00 0.00 C ATOM 40 O SER A 5 12.113 17.420 15.689 1.00 0.00 O ATOM 41 CB SER A 5 13.973 17.541 18.512 1.00 0.00 C ATOM 42 OG SER A 5 14.688 18.268 17.528 1.00 0.00 O ATOM 0 H SER A 5 14.323 15.557 17.057 1.00 0.00 H new ATOM 0 HA SER A 5 12.127 16.452 18.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.586 18.227 19.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.648 16.854 19.023 1.00 0.00 H new ATOM 0 HG SER A 5 15.420 18.761 17.953 1.00 0.00 H new ATOM 48 N SER A 6 11.366 18.643 17.424 1.00 0.00 N ATOM 49 CA SER A 6 10.598 19.560 16.589 1.00 0.00 C ATOM 50 C SER A 6 11.501 20.265 15.582 1.00 0.00 C ATOM 51 O SER A 6 12.633 20.631 15.897 1.00 0.00 O ATOM 52 CB SER A 6 9.879 20.594 17.458 1.00 0.00 C ATOM 53 OG SER A 6 8.640 20.092 17.929 1.00 0.00 O ATOM 0 H SER A 6 11.317 18.841 18.423 1.00 0.00 H new ATOM 0 HA SER A 6 9.857 18.978 16.041 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.511 20.865 18.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.711 21.504 16.882 1.00 0.00 H new ATOM 0 HG SER A 6 8.201 20.771 18.483 1.00 0.00 H new ATOM 59 N GLY A 7 10.992 20.451 14.368 1.00 0.00 N ATOM 60 CA GLY A 7 11.765 21.111 13.333 1.00 0.00 C ATOM 61 C GLY A 7 10.985 21.279 12.044 1.00 0.00 C ATOM 62 O GLY A 7 10.352 22.311 11.826 1.00 0.00 O ATOM 0 H GLY A 7 10.058 20.156 14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.084 22.090 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.668 20.534 13.135 1.00 0.00 H new ATOM 66 N GLU A 8 11.031 20.262 11.189 1.00 0.00 N ATOM 67 CA GLU A 8 10.324 20.305 9.914 1.00 0.00 C ATOM 68 C GLU A 8 9.515 19.029 9.699 1.00 0.00 C ATOM 69 O GLU A 8 9.619 18.077 10.473 1.00 0.00 O ATOM 70 CB GLU A 8 11.314 20.495 8.763 1.00 0.00 C ATOM 71 CG GLU A 8 12.153 21.755 8.884 1.00 0.00 C ATOM 72 CD GLU A 8 13.152 21.902 7.753 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.973 20.980 7.563 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.113 22.938 7.057 1.00 0.00 O ATOM 0 H GLU A 8 11.550 19.400 11.356 1.00 0.00 H new ATOM 0 HA GLU A 8 9.637 21.151 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.976 19.630 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.764 20.524 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.496 22.624 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.686 21.742 9.835 1.00 0.00 H new ATOM 81 N CYS A 9 8.710 19.018 8.642 1.00 0.00 N ATOM 82 CA CYS A 9 7.881 17.860 8.324 1.00 0.00 C ATOM 83 C CYS A 9 6.714 17.743 9.300 1.00 0.00 C ATOM 84 O CYS A 9 6.321 16.641 9.681 1.00 0.00 O ATOM 85 CB CYS A 9 8.720 16.582 8.358 1.00 0.00 C ATOM 86 SG CYS A 9 8.106 15.268 7.278 1.00 0.00 S ATOM 0 H CYS A 9 8.614 19.797 7.991 1.00 0.00 H new ATOM 0 HA CYS A 9 7.479 17.996 7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.744 16.824 8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.755 16.210 9.382 1.00 0.00 H new ATOM 0 HG CYS A 9 8.882 14.229 7.374 1.00 0.00 H new ATOM 92 N GLU A 10 6.167 18.886 9.700 1.00 0.00 N ATOM 93 CA GLU A 10 5.046 18.910 10.633 1.00 0.00 C ATOM 94 C GLU A 10 3.744 18.539 9.929 1.00 0.00 C ATOM 95 O GLU A 10 3.511 18.928 8.785 1.00 0.00 O ATOM 96 CB GLU A 10 4.916 20.294 11.273 1.00 0.00 C ATOM 97 CG GLU A 10 4.436 21.367 10.310 1.00 0.00 C ATOM 98 CD GLU A 10 2.925 21.476 10.264 1.00 0.00 C ATOM 99 OE1 GLU A 10 2.281 21.237 11.308 1.00 0.00 O ATOM 100 OE2 GLU A 10 2.385 21.799 9.185 1.00 0.00 O ATOM 0 H GLU A 10 6.481 19.807 9.393 1.00 0.00 H new ATOM 0 HA GLU A 10 5.240 18.174 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.222 20.234 12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.883 20.589 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.857 22.328 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.811 21.147 9.311 1.00 0.00 H new ATOM 107 N VAL A 11 2.899 17.782 10.622 1.00 0.00 N ATOM 108 CA VAL A 11 1.620 17.358 10.066 1.00 0.00 C ATOM 109 C VAL A 11 0.457 17.863 10.913 1.00 0.00 C ATOM 110 O VAL A 11 -0.553 18.329 10.385 1.00 0.00 O ATOM 111 CB VAL A 11 1.535 15.824 9.959 1.00 0.00 C ATOM 112 CG1 VAL A 11 1.775 15.180 11.316 1.00 0.00 C ATOM 113 CG2 VAL A 11 0.189 15.403 9.390 1.00 0.00 C ATOM 0 H VAL A 11 3.078 17.450 11.570 1.00 0.00 H new ATOM 0 HA VAL A 11 1.551 17.789 9.067 1.00 0.00 H new ATOM 0 HB VAL A 11 2.314 15.481 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.711 14.096 11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.765 15.455 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.021 15.527 12.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.147 14.316 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.609 15.757 10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.063 15.834 8.397 1.00 0.00 H new ATOM 123 N TYR A 12 0.607 17.767 12.229 1.00 0.00 N ATOM 124 CA TYR A 12 -0.432 18.211 13.151 1.00 0.00 C ATOM 125 C TYR A 12 -0.954 19.591 12.759 1.00 0.00 C ATOM 126 O TYR A 12 -0.266 20.598 12.926 1.00 0.00 O ATOM 127 CB TYR A 12 0.107 18.246 14.582 1.00 0.00 C ATOM 128 CG TYR A 12 1.015 19.422 14.859 1.00 0.00 C ATOM 129 CD1 TYR A 12 2.365 19.376 14.532 1.00 0.00 C ATOM 130 CD2 TYR A 12 0.524 20.581 15.449 1.00 0.00 C ATOM 131 CE1 TYR A 12 3.198 20.448 14.784 1.00 0.00 C ATOM 132 CE2 TYR A 12 1.349 21.658 15.703 1.00 0.00 C ATOM 133 CZ TYR A 12 2.686 21.587 15.369 1.00 0.00 C ATOM 134 OH TYR A 12 3.512 22.658 15.622 1.00 0.00 O ATOM 0 H TYR A 12 1.438 17.386 12.682 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.257 17.501 13.098 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.732 18.275 15.277 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.652 17.323 14.778 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.770 18.486 14.073 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.522 20.640 15.713 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.245 20.395 14.524 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.950 22.551 16.161 1.00 0.00 H new ATOM 0 HH TYR A 12 2.994 23.380 16.036 1.00 0.00 H new ATOM 144 N ASP A 13 -2.175 19.627 12.238 1.00 0.00 N ATOM 145 CA ASP A 13 -2.792 20.882 11.823 1.00 0.00 C ATOM 146 C ASP A 13 -4.303 20.725 11.683 1.00 0.00 C ATOM 147 O ASP A 13 -4.797 19.935 10.878 1.00 0.00 O ATOM 148 CB ASP A 13 -2.191 21.358 10.500 1.00 0.00 C ATOM 149 CG ASP A 13 -0.699 21.608 10.598 1.00 0.00 C ATOM 150 OD1 ASP A 13 -0.307 22.634 11.193 1.00 0.00 O ATOM 151 OD2 ASP A 13 0.076 20.777 10.080 1.00 0.00 O ATOM 0 H ASP A 13 -2.757 18.802 12.093 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.592 21.628 12.592 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.381 20.612 9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.690 22.275 10.187 1.00 0.00 H new ATOM 156 N PRO A 14 -5.055 21.493 12.484 1.00 0.00 N ATOM 157 CA PRO A 14 -6.521 21.456 12.469 1.00 0.00 C ATOM 158 C PRO A 14 -7.102 22.051 11.190 1.00 0.00 C ATOM 159 O PRO A 14 -8.139 21.604 10.703 1.00 0.00 O ATOM 160 CB PRO A 14 -6.910 22.308 13.679 1.00 0.00 C ATOM 161 CG PRO A 14 -5.756 23.228 13.882 1.00 0.00 C ATOM 162 CD PRO A 14 -4.534 22.457 13.468 1.00 0.00 C ATOM 0 HA PRO A 14 -6.904 20.436 12.508 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.830 22.862 13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.083 21.689 14.560 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.868 24.132 13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.685 23.541 14.924 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.777 23.108 13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.070 21.954 14.316 1.00 0.00 H new ATOM 170 N ASN A 15 -6.426 23.061 10.652 1.00 0.00 N ATOM 171 CA ASN A 15 -6.876 23.716 9.430 1.00 0.00 C ATOM 172 C ASN A 15 -6.586 22.849 8.209 1.00 0.00 C ATOM 173 O ASN A 15 -7.355 22.834 7.248 1.00 0.00 O ATOM 174 CB ASN A 15 -6.194 25.077 9.276 1.00 0.00 C ATOM 175 CG ASN A 15 -6.413 25.973 10.479 1.00 0.00 C ATOM 176 OD1 ASN A 15 -5.552 26.079 11.353 1.00 0.00 O ATOM 177 ND2 ASN A 15 -7.569 26.624 10.530 1.00 0.00 N ATOM 0 H ASN A 15 -5.565 23.443 11.043 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.954 23.862 9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.124 24.929 9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.575 25.572 8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.772 27.242 11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.254 26.506 9.783 1.00 0.00 H new ATOM 184 N ALA A 16 -5.471 22.126 8.254 1.00 0.00 N ATOM 185 CA ALA A 16 -5.081 21.254 7.154 1.00 0.00 C ATOM 186 C ALA A 16 -5.961 20.010 7.100 1.00 0.00 C ATOM 187 O ALA A 16 -5.945 19.186 8.015 1.00 0.00 O ATOM 188 CB ALA A 16 -3.616 20.861 7.285 1.00 0.00 C ATOM 0 H ALA A 16 -4.822 22.128 9.041 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.217 21.804 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.339 20.209 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.996 21.757 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.463 20.335 8.227 1.00 0.00 H new ATOM 194 N LEU A 17 -6.729 19.880 6.024 1.00 0.00 N ATOM 195 CA LEU A 17 -7.617 18.736 5.851 1.00 0.00 C ATOM 196 C LEU A 17 -7.563 18.215 4.419 1.00 0.00 C ATOM 197 O LEU A 17 -7.468 18.992 3.468 1.00 0.00 O ATOM 198 CB LEU A 17 -9.053 19.121 6.212 1.00 0.00 C ATOM 199 CG LEU A 17 -9.242 19.820 7.558 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.534 20.623 7.566 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.237 18.805 8.692 1.00 0.00 C ATOM 0 H LEU A 17 -6.755 20.553 5.258 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.281 17.943 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.441 19.773 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.663 18.217 6.206 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.409 20.507 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.652 21.114 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.499 21.376 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.378 19.956 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.373 19.321 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.049 18.093 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.285 18.273 8.700 1.00 0.00 H new ATOM 213 N TYR A 18 -7.625 16.896 4.271 1.00 0.00 N ATOM 214 CA TYR A 18 -7.583 16.272 2.955 1.00 0.00 C ATOM 215 C TYR A 18 -8.678 15.219 2.815 1.00 0.00 C ATOM 216 O TYR A 18 -9.688 15.442 2.147 1.00 0.00 O ATOM 217 CB TYR A 18 -6.214 15.634 2.714 1.00 0.00 C ATOM 218 CG TYR A 18 -5.129 16.634 2.384 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.227 17.453 1.266 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.005 16.761 3.192 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.238 18.367 0.961 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.012 17.674 2.896 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.132 18.475 1.779 1.00 0.00 C ATOM 224 OH TYR A 18 -2.146 19.385 1.480 1.00 0.00 O ATOM 0 H TYR A 18 -7.705 16.239 5.047 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.753 17.048 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.922 15.074 3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.296 14.917 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.092 17.373 0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.907 16.135 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.330 18.994 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.146 17.761 3.536 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.438 19.335 2.156 1.00 0.00 H new ATOM 234 N CYS A 19 -8.472 14.072 3.453 1.00 0.00 N ATOM 235 CA CYS A 19 -9.440 12.983 3.402 1.00 0.00 C ATOM 236 C CYS A 19 -10.824 13.466 3.824 1.00 0.00 C ATOM 237 O CYS A 19 -10.970 14.555 4.382 1.00 0.00 O ATOM 238 CB CYS A 19 -8.992 11.832 4.304 1.00 0.00 C ATOM 239 SG CYS A 19 -9.910 10.280 4.041 1.00 0.00 S ATOM 0 H CYS A 19 -7.642 13.872 4.012 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.497 12.628 2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.931 11.646 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.104 12.136 5.345 1.00 0.00 H new ATOM 244 N ILE A 20 -11.838 12.650 3.555 1.00 0.00 N ATOM 245 CA ILE A 20 -13.209 12.993 3.908 1.00 0.00 C ATOM 246 C ILE A 20 -13.391 13.046 5.421 1.00 0.00 C ATOM 247 O ILE A 20 -14.279 13.732 5.928 1.00 0.00 O ATOM 248 CB ILE A 20 -14.212 11.985 3.317 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.909 10.574 3.824 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.172 12.027 1.797 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.022 9.584 3.559 1.00 0.00 C ATOM 0 H ILE A 20 -11.735 11.746 3.093 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.405 13.979 3.486 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.215 12.260 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.995 10.215 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.718 10.615 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.886 11.309 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.431 13.028 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.169 11.774 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.738 8.605 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.933 9.919 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.198 9.513 2.486 1.00 0.00 H new ATOM 263 N CYS A 21 -12.542 12.318 6.139 1.00 0.00 N ATOM 264 CA CYS A 21 -12.606 12.282 7.595 1.00 0.00 C ATOM 265 C CYS A 21 -11.959 13.525 8.199 1.00 0.00 C ATOM 266 O CYS A 21 -11.730 13.593 9.407 1.00 0.00 O ATOM 267 CB CYS A 21 -11.915 11.024 8.126 1.00 0.00 C ATOM 268 SG CYS A 21 -10.150 10.905 7.689 1.00 0.00 S ATOM 0 H CYS A 21 -11.801 11.745 5.736 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.656 12.262 7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.012 11.000 9.211 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.434 10.147 7.740 1.00 0.00 H new ATOM 273 N ARG A 22 -11.667 14.505 7.350 1.00 0.00 N ATOM 274 CA ARG A 22 -11.045 15.745 7.800 1.00 0.00 C ATOM 275 C ARG A 22 -9.845 15.457 8.697 1.00 0.00 C ATOM 276 O ARG A 22 -9.735 16.000 9.796 1.00 0.00 O ATOM 277 CB ARG A 22 -12.062 16.606 8.551 1.00 0.00 C ATOM 278 CG ARG A 22 -12.824 17.570 7.655 1.00 0.00 C ATOM 279 CD ARG A 22 -13.364 16.871 6.418 1.00 0.00 C ATOM 280 NE ARG A 22 -12.365 16.786 5.357 1.00 0.00 N ATOM 281 CZ ARG A 22 -12.039 17.806 4.571 1.00 0.00 C ATOM 282 NH1 ARG A 22 -12.630 18.983 4.727 1.00 0.00 N ATOM 283 NH2 ARG A 22 -11.119 17.651 3.627 1.00 0.00 N ATOM 0 H ARG A 22 -11.851 14.465 6.348 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.697 16.288 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.774 15.954 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.544 17.174 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.649 18.013 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.167 18.387 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.696 15.868 6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.238 17.409 6.051 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.891 15.894 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.337 19.107 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.378 19.765 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.661 16.748 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.870 18.435 3.024 1.00 0.00 H new ATOM 297 N GLN A 23 -8.948 14.600 8.219 1.00 0.00 N ATOM 298 CA GLN A 23 -7.757 14.240 8.979 1.00 0.00 C ATOM 299 C GLN A 23 -6.494 14.481 8.158 1.00 0.00 C ATOM 300 O GLN A 23 -6.498 14.400 6.929 1.00 0.00 O ATOM 301 CB GLN A 23 -7.826 12.774 9.412 1.00 0.00 C ATOM 302 CG GLN A 23 -8.894 12.499 10.457 1.00 0.00 C ATOM 303 CD GLN A 23 -8.420 12.789 11.867 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.921 13.878 12.155 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.573 11.815 12.757 1.00 0.00 N ATOM 0 H GLN A 23 -9.023 14.143 7.310 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.718 14.872 9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.018 12.154 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.856 12.475 9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.773 13.107 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.203 11.456 10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.991 10.928 12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.272 11.954 13.722 1.00 0.00 H new ATOM 314 N PRO A 24 -5.386 14.785 8.850 1.00 0.00 N ATOM 315 CA PRO A 24 -4.096 15.043 8.205 1.00 0.00 C ATOM 316 C PRO A 24 -3.488 13.784 7.597 1.00 0.00 C ATOM 317 O PRO A 24 -4.123 12.729 7.567 1.00 0.00 O ATOM 318 CB PRO A 24 -3.222 15.558 9.353 1.00 0.00 C ATOM 319 CG PRO A 24 -3.830 14.975 10.582 1.00 0.00 C ATOM 320 CD PRO A 24 -5.308 14.898 10.316 1.00 0.00 C ATOM 0 HA PRO A 24 -4.189 15.742 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.186 15.241 9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.219 16.647 9.391 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.419 13.987 10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.622 15.597 11.453 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.761 14.038 10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.828 15.784 10.679 1.00 0.00 H new ATOM 328 N HIS A 25 -2.256 13.901 7.113 1.00 0.00 N ATOM 329 CA HIS A 25 -1.563 12.770 6.506 1.00 0.00 C ATOM 330 C HIS A 25 -0.596 12.130 7.498 1.00 0.00 C ATOM 331 O HIS A 25 0.557 12.544 7.611 1.00 0.00 O ATOM 332 CB HIS A 25 -0.806 13.220 5.256 1.00 0.00 C ATOM 333 CG HIS A 25 0.265 12.264 4.828 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.610 12.562 4.895 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.183 11.010 4.327 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.309 11.532 4.451 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.467 10.577 4.101 1.00 0.00 N ATOM 0 H HIS A 25 -1.717 14.767 7.129 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.309 12.028 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.515 13.348 4.438 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.357 14.195 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.723 10.453 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.386 11.480 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.728 9.666 3.724 1.00 0.00 H new ATOM 346 N ASN A 26 -1.074 11.118 8.215 1.00 0.00 N ATOM 347 CA ASN A 26 -0.253 10.422 9.198 1.00 0.00 C ATOM 348 C ASN A 26 0.595 9.342 8.532 1.00 0.00 C ATOM 349 O ASN A 26 0.513 8.167 8.886 1.00 0.00 O ATOM 350 CB ASN A 26 -1.135 9.796 10.280 1.00 0.00 C ATOM 351 CG ASN A 26 -1.705 10.831 11.231 1.00 0.00 C ATOM 352 OD1 ASN A 26 -0.979 11.420 12.032 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.011 11.058 11.146 1.00 0.00 N ATOM 0 H ASN A 26 -2.026 10.762 8.133 1.00 0.00 H new ATOM 0 HA ASN A 26 0.413 11.151 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.952 9.251 9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.551 9.069 10.845 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.450 11.744 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.574 10.546 10.467 1.00 0.00 H new ATOM 360 N ASN A 27 1.411 9.751 7.564 1.00 0.00 N ATOM 361 CA ASN A 27 2.274 8.820 6.848 1.00 0.00 C ATOM 362 C ASN A 27 1.457 7.700 6.211 1.00 0.00 C ATOM 363 O ASN A 27 1.951 6.589 6.020 1.00 0.00 O ATOM 364 CB ASN A 27 3.319 8.228 7.797 1.00 0.00 C ATOM 365 CG ASN A 27 4.070 9.295 8.568 1.00 0.00 C ATOM 366 OD1 ASN A 27 5.134 9.748 8.146 1.00 0.00 O ATOM 367 ND2 ASN A 27 3.518 9.702 9.706 1.00 0.00 N ATOM 0 H ASN A 27 1.492 10.721 7.259 1.00 0.00 H new ATOM 0 HA ASN A 27 2.782 9.370 6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.828 7.554 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.028 7.630 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.978 10.418 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.634 9.298 10.017 1.00 0.00 H new ATOM 374 N ARG A 28 0.205 8.002 5.884 1.00 0.00 N ATOM 375 CA ARG A 28 -0.682 7.021 5.269 1.00 0.00 C ATOM 376 C ARG A 28 -0.631 7.121 3.747 1.00 0.00 C ATOM 377 O ARG A 28 -0.352 8.185 3.194 1.00 0.00 O ATOM 378 CB ARG A 28 -2.117 7.223 5.757 1.00 0.00 C ATOM 379 CG ARG A 28 -2.252 7.224 7.271 1.00 0.00 C ATOM 380 CD ARG A 28 -3.708 7.307 7.701 1.00 0.00 C ATOM 381 NE ARG A 28 -4.338 5.991 7.758 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.235 5.171 8.798 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.531 5.531 9.862 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.838 3.990 8.775 1.00 0.00 N ATOM 0 H ARG A 28 -0.218 8.918 6.034 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.343 6.027 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.495 8.168 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.746 6.434 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.803 6.318 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.700 8.068 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.770 7.781 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.256 7.941 7.004 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.887 5.684 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.067 6.439 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.453 4.900 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.381 3.711 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.758 3.361 9.574 1.00 0.00 H new ATOM 398 N PHE A 29 -0.903 6.007 3.076 1.00 0.00 N ATOM 399 CA PHE A 29 -0.887 5.969 1.619 1.00 0.00 C ATOM 400 C PHE A 29 -2.122 6.656 1.043 1.00 0.00 C ATOM 401 O PHE A 29 -3.247 6.198 1.238 1.00 0.00 O ATOM 402 CB PHE A 29 -0.818 4.522 1.126 1.00 0.00 C ATOM 403 CG PHE A 29 -1.153 4.368 -0.330 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.163 4.453 -1.295 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.459 4.139 -0.734 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.468 4.312 -2.636 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.770 3.997 -2.073 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.773 4.084 -3.025 1.00 0.00 C ATOM 0 H PHE A 29 -1.137 5.118 3.518 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.002 6.505 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.185 4.134 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.504 3.913 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.859 4.632 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.243 4.071 0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.313 4.380 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.791 3.818 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.014 3.974 -4.072 1.00 0.00 H new ATOM 418 N MET A 30 -1.901 7.759 0.335 1.00 0.00 N ATOM 419 CA MET A 30 -2.996 8.510 -0.270 1.00 0.00 C ATOM 420 C MET A 30 -2.934 8.430 -1.792 1.00 0.00 C ATOM 421 O MET A 30 -1.906 8.064 -2.362 1.00 0.00 O ATOM 422 CB MET A 30 -2.948 9.972 0.178 1.00 0.00 C ATOM 423 CG MET A 30 -3.406 10.183 1.612 1.00 0.00 C ATOM 424 SD MET A 30 -2.593 11.586 2.401 1.00 0.00 S ATOM 425 CE MET A 30 -3.994 12.658 2.713 1.00 0.00 C ATOM 0 H MET A 30 -0.975 8.152 0.166 1.00 0.00 H new ATOM 0 HA MET A 30 -3.935 8.066 0.061 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.928 10.343 0.073 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.574 10.568 -0.486 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.485 10.338 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.207 9.280 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.912 13.553 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.917 12.132 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.007 12.943 3.765 1.00 0.00 H new ATOM 435 N ILE A 31 -4.040 8.774 -2.443 1.00 0.00 N ATOM 436 CA ILE A 31 -4.110 8.741 -3.899 1.00 0.00 C ATOM 437 C ILE A 31 -4.950 9.896 -4.434 1.00 0.00 C ATOM 438 O ILE A 31 -5.887 10.352 -3.778 1.00 0.00 O ATOM 439 CB ILE A 31 -4.703 7.413 -4.404 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.202 7.350 -4.101 1.00 0.00 C ATOM 441 CG2 ILE A 31 -3.979 6.234 -3.770 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.514 6.980 -2.668 1.00 0.00 C ATOM 0 H ILE A 31 -4.899 9.079 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.088 8.836 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.567 7.359 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.650 8.318 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.668 6.623 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.410 5.302 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.922 6.273 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.086 6.281 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.594 6.954 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.096 5.998 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.077 7.720 -1.998 1.00 0.00 H new ATOM 454 N CYS A 32 -4.608 10.363 -5.630 1.00 0.00 N ATOM 455 CA CYS A 32 -5.331 11.465 -6.255 1.00 0.00 C ATOM 456 C CYS A 32 -6.477 10.944 -7.117 1.00 0.00 C ATOM 457 O CYS A 32 -6.254 10.375 -8.186 1.00 0.00 O ATOM 458 CB CYS A 32 -4.381 12.309 -7.105 1.00 0.00 C ATOM 459 SG CYS A 32 -4.924 14.017 -7.345 1.00 0.00 S ATOM 0 H CYS A 32 -3.835 9.996 -6.186 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.749 12.087 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.398 12.314 -6.635 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.265 11.836 -8.080 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.054 14.650 -8.074 1.00 0.00 H new ATOM 465 N CYS A 33 -7.703 11.140 -6.645 1.00 0.00 N ATOM 466 CA CYS A 33 -8.884 10.689 -7.370 1.00 0.00 C ATOM 467 C CYS A 33 -8.949 11.327 -8.755 1.00 0.00 C ATOM 468 O CYS A 33 -8.258 12.308 -9.031 1.00 0.00 O ATOM 469 CB CYS A 33 -10.152 11.025 -6.582 1.00 0.00 C ATOM 470 SG CYS A 33 -11.650 10.187 -7.191 1.00 0.00 S ATOM 0 H CYS A 33 -7.905 11.609 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.815 9.608 -7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.999 10.758 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.313 12.103 -6.615 1.00 0.00 H new ATOM 475 N ASP A 34 -9.783 10.763 -9.621 1.00 0.00 N ATOM 476 CA ASP A 34 -9.940 11.277 -10.977 1.00 0.00 C ATOM 477 C ASP A 34 -11.252 12.043 -11.120 1.00 0.00 C ATOM 478 O ASP A 34 -11.434 12.811 -12.065 1.00 0.00 O ATOM 479 CB ASP A 34 -9.892 10.131 -11.988 1.00 0.00 C ATOM 480 CG ASP A 34 -10.258 10.579 -13.389 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.461 11.318 -14.004 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.342 10.190 -13.872 1.00 0.00 O ATOM 0 H ASP A 34 -10.361 9.950 -9.409 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.116 11.963 -11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.891 9.700 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.575 9.343 -11.672 1.00 0.00 H new ATOM 487 N ARG A 35 -12.162 11.828 -10.176 1.00 0.00 N ATOM 488 CA ARG A 35 -13.458 12.496 -10.198 1.00 0.00 C ATOM 489 C ARG A 35 -13.415 13.793 -9.396 1.00 0.00 C ATOM 490 O ARG A 35 -13.582 14.882 -9.946 1.00 0.00 O ATOM 491 CB ARG A 35 -14.541 11.573 -9.637 1.00 0.00 C ATOM 492 CG ARG A 35 -15.210 10.707 -10.693 1.00 0.00 C ATOM 493 CD ARG A 35 -16.437 11.389 -11.278 1.00 0.00 C ATOM 494 NE ARG A 35 -17.650 11.067 -10.531 1.00 0.00 N ATOM 495 CZ ARG A 35 -18.288 9.906 -10.631 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.831 8.962 -11.441 1.00 0.00 N ATOM 497 NH2 ARG A 35 -19.387 9.689 -9.919 1.00 0.00 N ATOM 0 H ARG A 35 -12.026 11.197 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.696 12.737 -11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.099 10.928 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.300 12.177 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.499 10.489 -11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.498 9.752 -10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.287 12.469 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.560 11.085 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 35 -18.028 11.772 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.987 9.126 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.323 8.072 -11.515 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.742 10.414 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.877 8.798 -9.996 1.00 0.00 H new ATOM 511 N CYS A 36 -13.190 13.669 -8.092 1.00 0.00 N ATOM 512 CA CYS A 36 -13.125 14.830 -7.213 1.00 0.00 C ATOM 513 C CYS A 36 -11.705 15.384 -7.147 1.00 0.00 C ATOM 514 O CYS A 36 -11.499 16.554 -6.829 1.00 0.00 O ATOM 515 CB CYS A 36 -13.606 14.459 -5.808 1.00 0.00 C ATOM 516 SG CYS A 36 -12.641 13.132 -5.018 1.00 0.00 S ATOM 0 H CYS A 36 -13.050 12.775 -7.621 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.778 15.601 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.568 15.347 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.650 14.151 -5.863 1.00 0.00 H new ATOM 521 N GLU A 37 -10.729 14.533 -7.449 1.00 0.00 N ATOM 522 CA GLU A 37 -9.329 14.937 -7.423 1.00 0.00 C ATOM 523 C GLU A 37 -8.916 15.381 -6.022 1.00 0.00 C ATOM 524 O GLU A 37 -8.368 16.467 -5.841 1.00 0.00 O ATOM 525 CB GLU A 37 -9.083 16.071 -8.421 1.00 0.00 C ATOM 526 CG GLU A 37 -9.418 15.701 -9.856 1.00 0.00 C ATOM 527 CD GLU A 37 -9.450 16.905 -10.777 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.802 17.921 -10.449 1.00 0.00 O ATOM 529 OE2 GLU A 37 -10.122 16.832 -11.827 1.00 0.00 O ATOM 0 H GLU A 37 -10.883 13.560 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.724 14.075 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.678 16.936 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.037 16.371 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.682 14.986 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.387 15.203 -9.882 1.00 0.00 H new ATOM 536 N GLU A 38 -9.185 14.531 -5.036 1.00 0.00 N ATOM 537 CA GLU A 38 -8.843 14.835 -3.652 1.00 0.00 C ATOM 538 C GLU A 38 -7.932 13.760 -3.067 1.00 0.00 C ATOM 539 O GLU A 38 -7.710 12.718 -3.683 1.00 0.00 O ATOM 540 CB GLU A 38 -10.111 14.960 -2.805 1.00 0.00 C ATOM 541 CG GLU A 38 -10.679 16.369 -2.763 1.00 0.00 C ATOM 542 CD GLU A 38 -9.996 17.242 -1.727 1.00 0.00 C ATOM 543 OE1 GLU A 38 -9.537 16.696 -0.702 1.00 0.00 O ATOM 544 OE2 GLU A 38 -9.922 18.470 -1.942 1.00 0.00 O ATOM 0 H GLU A 38 -9.638 13.627 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.310 15.786 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.869 14.283 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.892 14.635 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.575 16.828 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.746 16.320 -2.546 1.00 0.00 H new ATOM 551 N TRP A 39 -7.407 14.022 -1.875 1.00 0.00 N ATOM 552 CA TRP A 39 -6.520 13.077 -1.207 1.00 0.00 C ATOM 553 C TRP A 39 -7.250 12.341 -0.089 1.00 0.00 C ATOM 554 O TRP A 39 -7.769 12.961 0.839 1.00 0.00 O ATOM 555 CB TRP A 39 -5.298 13.804 -0.642 1.00 0.00 C ATOM 556 CG TRP A 39 -4.432 14.418 -1.700 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.322 15.746 -2.001 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.555 13.728 -2.597 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.430 15.923 -3.031 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.945 14.700 -3.414 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.225 12.384 -2.789 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -2.026 14.368 -4.406 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.313 12.056 -3.774 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.721 13.044 -4.572 1.00 0.00 C ATOM 0 H TRP A 39 -7.580 14.880 -1.352 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.190 12.345 -1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.632 14.584 0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.703 13.101 -0.058 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.858 16.540 -1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.171 16.819 -3.444 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.675 11.615 -2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.570 15.128 -5.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.052 11.020 -3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.011 12.755 -5.332 1.00 0.00 H new ATOM 575 N PHE A 40 -7.286 11.016 -0.183 1.00 0.00 N ATOM 576 CA PHE A 40 -7.954 10.196 0.821 1.00 0.00 C ATOM 577 C PHE A 40 -7.043 9.068 1.296 1.00 0.00 C ATOM 578 O PHE A 40 -5.971 8.842 0.733 1.00 0.00 O ATOM 579 CB PHE A 40 -9.251 9.614 0.254 1.00 0.00 C ATOM 580 CG PHE A 40 -10.125 10.637 -0.414 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.869 11.531 0.340 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.204 10.704 -1.795 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.674 12.473 -0.271 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.007 11.644 -2.412 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.744 12.529 -1.649 1.00 0.00 C ATOM 0 H PHE A 40 -6.860 10.487 -0.944 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.191 10.832 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.005 8.832 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.811 9.141 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.819 11.491 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.631 10.014 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.248 13.165 0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.058 11.687 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.374 13.263 -2.129 1.00 0.00 H new ATOM 595 N HIS A 41 -7.476 8.364 2.337 1.00 0.00 N ATOM 596 CA HIS A 41 -6.700 7.260 2.889 1.00 0.00 C ATOM 597 C HIS A 41 -7.124 5.933 2.267 1.00 0.00 C ATOM 598 O HIS A 41 -8.280 5.526 2.378 1.00 0.00 O ATOM 599 CB HIS A 41 -6.866 7.201 4.408 1.00 0.00 C ATOM 600 CG HIS A 41 -6.499 8.477 5.101 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.309 9.085 6.036 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.400 9.259 4.991 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.725 10.188 6.471 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.565 10.316 5.853 1.00 0.00 N ATOM 0 H HIS A 41 -8.360 8.539 2.815 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.650 7.433 2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.902 6.955 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.249 6.393 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.552 9.085 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.128 10.869 7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.900 11.076 5.993 1.00 0.00 H new ATOM 612 N GLY A 42 -6.181 5.263 1.612 1.00 0.00 N ATOM 613 CA GLY A 42 -6.477 3.990 0.982 1.00 0.00 C ATOM 614 C GLY A 42 -7.484 3.174 1.768 1.00 0.00 C ATOM 615 O GLY A 42 -8.268 2.420 1.191 1.00 0.00 O ATOM 0 H GLY A 42 -5.217 5.579 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.862 4.166 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.555 3.418 0.875 1.00 0.00 H new ATOM 619 N ASP A 43 -7.462 3.323 3.088 1.00 0.00 N ATOM 620 CA ASP A 43 -8.380 2.593 3.955 1.00 0.00 C ATOM 621 C ASP A 43 -9.772 3.216 3.920 1.00 0.00 C ATOM 622 O ASP A 43 -10.748 2.561 3.556 1.00 0.00 O ATOM 623 CB ASP A 43 -7.852 2.572 5.390 1.00 0.00 C ATOM 624 CG ASP A 43 -8.952 2.350 6.408 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.769 3.273 6.611 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.997 1.252 7.002 1.00 0.00 O ATOM 0 H ASP A 43 -6.819 3.942 3.581 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.451 1.569 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.106 1.784 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.349 3.515 5.603 1.00 0.00 H new ATOM 631 N CYS A 44 -9.855 4.486 4.303 1.00 0.00 N ATOM 632 CA CYS A 44 -11.127 5.199 4.318 1.00 0.00 C ATOM 633 C CYS A 44 -11.912 4.937 3.036 1.00 0.00 C ATOM 634 O CYS A 44 -13.102 4.625 3.076 1.00 0.00 O ATOM 635 CB CYS A 44 -10.892 6.701 4.487 1.00 0.00 C ATOM 636 SG CYS A 44 -10.865 7.259 6.221 1.00 0.00 S ATOM 0 H CYS A 44 -9.056 5.043 4.607 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.711 4.832 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.945 6.965 4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.674 7.242 3.954 1.00 0.00 H new ATOM 641 N VAL A 45 -11.237 5.067 1.898 1.00 0.00 N ATOM 642 CA VAL A 45 -11.870 4.843 0.604 1.00 0.00 C ATOM 643 C VAL A 45 -11.923 3.357 0.267 1.00 0.00 C ATOM 644 O VAL A 45 -12.809 2.905 -0.458 1.00 0.00 O ATOM 645 CB VAL A 45 -11.125 5.586 -0.521 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.247 7.091 -0.339 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.664 5.163 -0.563 1.00 0.00 C ATOM 0 H VAL A 45 -10.252 5.326 1.846 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.885 5.232 0.677 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.584 5.321 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.715 7.599 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.299 7.376 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.815 7.378 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.153 5.698 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.190 5.397 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.601 4.090 -0.746 1.00 0.00 H new ATOM 657 N GLY A 46 -10.969 2.600 0.801 1.00 0.00 N ATOM 658 CA GLY A 46 -10.925 1.172 0.546 1.00 0.00 C ATOM 659 C GLY A 46 -9.686 0.757 -0.221 1.00 0.00 C ATOM 660 O GLY A 46 -9.061 -0.255 0.096 1.00 0.00 O ATOM 0 H GLY A 46 -10.226 2.950 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.958 0.636 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.812 0.879 -0.017 1.00 0.00 H new ATOM 664 N ILE A 47 -9.330 1.540 -1.235 1.00 0.00 N ATOM 665 CA ILE A 47 -8.157 1.247 -2.049 1.00 0.00 C ATOM 666 C ILE A 47 -7.010 0.723 -1.193 1.00 0.00 C ATOM 667 O ILE A 47 -6.638 1.335 -0.192 1.00 0.00 O ATOM 668 CB ILE A 47 -7.681 2.494 -2.818 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.790 3.007 -3.739 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.426 2.176 -3.618 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.079 2.090 -4.906 1.00 0.00 C ATOM 0 H ILE A 47 -9.837 2.381 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.453 0.479 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.441 3.277 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.702 3.139 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.509 3.989 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.102 3.067 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.635 1.853 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.641 1.380 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.875 2.517 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.180 1.977 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.391 1.114 -4.533 1.00 0.00 H new ATOM 683 N SER A 48 -6.451 -0.414 -1.595 1.00 0.00 N ATOM 684 CA SER A 48 -5.346 -1.023 -0.864 1.00 0.00 C ATOM 685 C SER A 48 -4.011 -0.706 -1.531 1.00 0.00 C ATOM 686 O SER A 48 -3.918 -0.647 -2.757 1.00 0.00 O ATOM 687 CB SER A 48 -5.538 -2.539 -0.777 1.00 0.00 C ATOM 688 OG SER A 48 -6.629 -2.867 0.065 1.00 0.00 O ATOM 0 H SER A 48 -6.745 -0.932 -2.423 1.00 0.00 H new ATOM 0 HA SER A 48 -5.337 -0.606 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.709 -2.945 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.628 -3.003 -0.396 1.00 0.00 H new ATOM 0 HG SER A 48 -6.732 -3.841 0.103 1.00 0.00 H new ATOM 694 N GLU A 49 -2.982 -0.502 -0.715 1.00 0.00 N ATOM 695 CA GLU A 49 -1.653 -0.190 -1.227 1.00 0.00 C ATOM 696 C GLU A 49 -1.321 -1.050 -2.442 1.00 0.00 C ATOM 697 O GLU A 49 -0.637 -0.605 -3.363 1.00 0.00 O ATOM 698 CB GLU A 49 -0.600 -0.400 -0.137 1.00 0.00 C ATOM 699 CG GLU A 49 0.614 0.503 -0.280 1.00 0.00 C ATOM 700 CD GLU A 49 1.837 -0.046 0.429 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.695 -0.525 1.573 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.935 0.002 -0.163 1.00 0.00 O ATOM 0 H GLU A 49 -3.043 -0.547 0.302 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.647 0.856 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.058 -0.227 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.273 -1.440 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.841 0.635 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.378 1.489 0.121 1.00 0.00 H new ATOM 709 N ALA A 50 -1.811 -2.286 -2.437 1.00 0.00 N ATOM 710 CA ALA A 50 -1.569 -3.209 -3.539 1.00 0.00 C ATOM 711 C ALA A 50 -2.241 -2.724 -4.819 1.00 0.00 C ATOM 712 O ALA A 50 -1.670 -2.820 -5.905 1.00 0.00 O ATOM 713 CB ALA A 50 -2.061 -4.602 -3.177 1.00 0.00 C ATOM 0 H ALA A 50 -2.378 -2.671 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.495 -3.250 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.874 -5.281 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.531 -4.957 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.131 -4.568 -2.970 1.00 0.00 H new ATOM 719 N ARG A 51 -3.456 -2.204 -4.683 1.00 0.00 N ATOM 720 CA ARG A 51 -4.206 -1.706 -5.830 1.00 0.00 C ATOM 721 C ARG A 51 -3.576 -0.429 -6.380 1.00 0.00 C ATOM 722 O ARG A 51 -3.094 -0.400 -7.511 1.00 0.00 O ATOM 723 CB ARG A 51 -5.661 -1.441 -5.439 1.00 0.00 C ATOM 724 CG ARG A 51 -6.584 -2.623 -5.689 1.00 0.00 C ATOM 725 CD ARG A 51 -6.936 -2.752 -7.163 1.00 0.00 C ATOM 726 NE ARG A 51 -6.047 -3.679 -7.859 1.00 0.00 N ATOM 727 CZ ARG A 51 -6.399 -4.362 -8.942 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.615 -4.222 -9.452 1.00 0.00 N ATOM 729 NH2 ARG A 51 -5.533 -5.186 -9.519 1.00 0.00 N ATOM 0 H ARG A 51 -3.942 -2.116 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.179 -2.469 -6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.702 -1.176 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.028 -0.580 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.104 -3.540 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.496 -2.504 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.966 -3.095 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.880 -1.772 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.104 -3.809 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.283 -3.588 -9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.883 -4.748 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.596 -5.295 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.804 -5.710 -10.351 1.00 0.00 H new ATOM 743 N GLY A 52 -3.584 0.625 -5.569 1.00 0.00 N ATOM 744 CA GLY A 52 -3.011 1.889 -5.992 1.00 0.00 C ATOM 745 C GLY A 52 -1.621 1.730 -6.575 1.00 0.00 C ATOM 746 O GLY A 52 -1.274 2.384 -7.559 1.00 0.00 O ATOM 0 H GLY A 52 -3.977 0.626 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.663 2.349 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.969 2.568 -5.141 1.00 0.00 H new ATOM 750 N ARG A 53 -0.822 0.860 -5.967 1.00 0.00 N ATOM 751 CA ARG A 53 0.539 0.619 -6.430 1.00 0.00 C ATOM 752 C ARG A 53 0.551 0.233 -7.906 1.00 0.00 C ATOM 753 O ARG A 53 1.345 0.756 -8.689 1.00 0.00 O ATOM 754 CB ARG A 53 1.196 -0.485 -5.598 1.00 0.00 C ATOM 755 CG ARG A 53 1.789 0.011 -4.289 1.00 0.00 C ATOM 756 CD ARG A 53 3.239 0.434 -4.459 1.00 0.00 C ATOM 757 NE ARG A 53 3.610 1.501 -3.533 1.00 0.00 N ATOM 758 CZ ARG A 53 4.857 1.732 -3.138 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.848 0.974 -3.586 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.115 2.722 -2.294 1.00 0.00 N ATOM 0 H ARG A 53 -1.094 0.310 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 53 1.106 1.542 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.456 -1.256 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.983 -0.954 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.204 0.853 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.724 -0.776 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.889 -0.427 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.401 0.770 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 53 2.870 2.102 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.654 0.212 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.805 1.153 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.355 3.307 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.073 2.898 -1.992 1.00 0.00 H new ATOM 774 N LEU A 54 -0.334 -0.685 -8.279 1.00 0.00 N ATOM 775 CA LEU A 54 -0.426 -1.142 -9.662 1.00 0.00 C ATOM 776 C LEU A 54 -1.136 -0.109 -10.530 1.00 0.00 C ATOM 777 O LEU A 54 -0.648 0.262 -11.599 1.00 0.00 O ATOM 778 CB LEU A 54 -1.166 -2.478 -9.730 1.00 0.00 C ATOM 779 CG LEU A 54 -0.362 -3.713 -9.321 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.292 -4.856 -8.947 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.578 -4.132 -10.441 1.00 0.00 C ATOM 0 H LEU A 54 -0.998 -1.128 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 54 0.586 -1.275 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.047 -2.415 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.521 -2.622 -10.750 1.00 0.00 H new ATOM 0 HG LEU A 54 0.237 -3.459 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.702 -5.726 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.923 -4.553 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.919 -5.110 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.142 -5.012 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.002 -4.367 -11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.268 -3.317 -10.661 1.00 0.00 H new ATOM 793 N LEU A 55 -2.291 0.354 -10.065 1.00 0.00 N ATOM 794 CA LEU A 55 -3.069 1.347 -10.798 1.00 0.00 C ATOM 795 C LEU A 55 -2.163 2.425 -11.383 1.00 0.00 C ATOM 796 O LEU A 55 -2.511 3.073 -12.369 1.00 0.00 O ATOM 797 CB LEU A 55 -4.113 1.985 -9.880 1.00 0.00 C ATOM 798 CG LEU A 55 -5.122 1.029 -9.244 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.666 1.610 -7.948 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.257 0.729 -10.214 1.00 0.00 C ATOM 0 H LEU A 55 -2.710 0.058 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.577 0.841 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.591 2.514 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.662 2.733 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.611 0.094 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.383 0.915 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.845 1.773 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.161 2.559 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.966 0.047 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.766 1.657 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.853 0.269 -11.116 1.00 0.00 H new ATOM 812 N GLU A 56 -0.998 2.608 -10.770 1.00 0.00 N ATOM 813 CA GLU A 56 -0.041 3.607 -11.232 1.00 0.00 C ATOM 814 C GLU A 56 0.750 3.090 -12.430 1.00 0.00 C ATOM 815 O GLU A 56 0.561 3.549 -13.557 1.00 0.00 O ATOM 816 CB GLU A 56 0.917 3.990 -10.102 1.00 0.00 C ATOM 817 CG GLU A 56 1.793 5.188 -10.426 1.00 0.00 C ATOM 818 CD GLU A 56 1.002 6.476 -10.536 1.00 0.00 C ATOM 819 OE1 GLU A 56 0.416 6.722 -11.612 1.00 0.00 O ATOM 820 OE2 GLU A 56 0.969 7.239 -9.549 1.00 0.00 O ATOM 0 H GLU A 56 -0.694 2.078 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.599 4.491 -11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.338 4.206 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.554 3.136 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.553 5.298 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.317 5.007 -11.364 1.00 0.00 H new ATOM 827 N ARG A 57 1.636 2.132 -12.178 1.00 0.00 N ATOM 828 CA ARG A 57 2.456 1.553 -13.235 1.00 0.00 C ATOM 829 C ARG A 57 1.591 1.091 -14.404 1.00 0.00 C ATOM 830 O ARG A 57 1.791 1.513 -15.542 1.00 0.00 O ATOM 831 CB ARG A 57 3.269 0.376 -12.692 1.00 0.00 C ATOM 832 CG ARG A 57 2.435 -0.638 -11.925 1.00 0.00 C ATOM 833 CD ARG A 57 3.305 -1.527 -11.050 1.00 0.00 C ATOM 834 NE ARG A 57 4.059 -0.756 -10.065 1.00 0.00 N ATOM 835 CZ ARG A 57 5.277 -0.272 -10.286 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.874 -0.478 -11.452 1.00 0.00 N ATOM 837 NH2 ARG A 57 5.899 0.420 -9.340 1.00 0.00 N ATOM 0 H ARG A 57 1.804 1.741 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 57 3.139 2.323 -13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.764 -0.127 -13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.053 0.758 -12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.706 -0.116 -11.305 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.873 -1.254 -12.627 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.678 -2.256 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.997 -2.088 -11.678 1.00 0.00 H new ATOM 0 HE ARG A 57 3.627 -0.579 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.398 -1.009 -12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.809 -0.106 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.442 0.581 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.834 0.791 -9.511 1.00 0.00 H new ATOM 851 N ASN A 58 0.630 0.220 -14.114 1.00 0.00 N ATOM 852 CA ASN A 58 -0.265 -0.300 -15.141 1.00 0.00 C ATOM 853 C ASN A 58 -0.909 0.837 -15.929 1.00 0.00 C ATOM 854 O ASN A 58 -0.940 0.814 -17.159 1.00 0.00 O ATOM 855 CB ASN A 58 -1.350 -1.174 -14.508 1.00 0.00 C ATOM 856 CG ASN A 58 -0.888 -2.602 -14.291 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.127 -2.822 -13.225 1.00 0.00 O flip ATOM 858 ND2 ASN A 58 -1.212 -3.496 -15.072 1.00 0.00 N flip ATOM 0 H ASN A 58 0.451 -0.140 -13.177 1.00 0.00 H new ATOM 0 HA ASN A 58 0.326 -0.906 -15.828 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.649 -0.743 -13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.232 -1.174 -15.148 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.798 -3.281 -15.878 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.894 -4.452 -14.913 1.00 0.00 H new ATOM 865 N GLY A 59 -1.420 1.832 -15.211 1.00 0.00 N ATOM 866 CA GLY A 59 -2.056 2.965 -15.859 1.00 0.00 C ATOM 867 C GLY A 59 -3.568 2.912 -15.767 1.00 0.00 C ATOM 868 O GLY A 59 -4.264 3.179 -16.745 1.00 0.00 O ATOM 0 H GLY A 59 -1.405 1.874 -14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.699 3.888 -15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.760 2.993 -16.908 1.00 0.00 H new ATOM 872 N GLU A 60 -4.076 2.566 -14.588 1.00 0.00 N ATOM 873 CA GLU A 60 -5.515 2.477 -14.374 1.00 0.00 C ATOM 874 C GLU A 60 -6.022 3.675 -13.576 1.00 0.00 C ATOM 875 O GLU A 60 -5.246 4.547 -13.185 1.00 0.00 O ATOM 876 CB GLU A 60 -5.866 1.179 -13.643 1.00 0.00 C ATOM 877 CG GLU A 60 -5.924 -0.035 -14.554 1.00 0.00 C ATOM 878 CD GLU A 60 -6.423 -1.277 -13.840 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.591 -1.278 -13.397 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.646 -2.247 -13.725 1.00 0.00 O ATOM 0 H GLU A 60 -3.513 2.343 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.001 2.479 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.128 1.001 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.830 1.299 -13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.577 0.181 -15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.931 -0.228 -14.960 1.00 0.00 H new ATOM 887 N ASP A 61 -7.328 3.711 -13.339 1.00 0.00 N ATOM 888 CA ASP A 61 -7.940 4.801 -12.588 1.00 0.00 C ATOM 889 C ASP A 61 -8.632 4.276 -11.334 1.00 0.00 C ATOM 890 O ASP A 61 -9.312 3.250 -11.372 1.00 0.00 O ATOM 891 CB ASP A 61 -8.944 5.552 -13.464 1.00 0.00 C ATOM 892 CG ASP A 61 -8.267 6.402 -14.521 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.705 5.826 -15.476 1.00 0.00 O ATOM 894 OD2 ASP A 61 -8.301 7.644 -14.395 1.00 0.00 O ATOM 0 H ASP A 61 -7.984 2.997 -13.656 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.150 5.488 -12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.607 4.835 -13.948 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.567 6.188 -12.835 1.00 0.00 H new ATOM 899 N TYR A 62 -8.455 4.985 -10.225 1.00 0.00 N ATOM 900 CA TYR A 62 -9.060 4.589 -8.959 1.00 0.00 C ATOM 901 C TYR A 62 -10.138 5.581 -8.536 1.00 0.00 C ATOM 902 O TYR A 62 -9.885 6.490 -7.746 1.00 0.00 O ATOM 903 CB TYR A 62 -7.991 4.485 -7.870 1.00 0.00 C ATOM 904 CG TYR A 62 -6.953 5.582 -7.933 1.00 0.00 C ATOM 905 CD1 TYR A 62 -5.864 5.487 -8.789 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.064 6.716 -7.136 1.00 0.00 C ATOM 907 CE1 TYR A 62 -4.913 6.488 -8.849 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.118 7.722 -7.191 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.045 7.603 -8.048 1.00 0.00 C ATOM 910 OH TYR A 62 -4.100 8.602 -8.106 1.00 0.00 O ATOM 0 H TYR A 62 -7.897 5.838 -10.177 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.525 3.613 -9.097 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.475 4.510 -6.894 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.492 3.519 -7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.758 4.616 -9.419 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.903 6.812 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.071 6.398 -9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.219 8.597 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.547 9.473 -8.150 1.00 0.00 H new ATOM 920 N ILE A 63 -11.342 5.399 -9.068 1.00 0.00 N ATOM 921 CA ILE A 63 -12.460 6.276 -8.745 1.00 0.00 C ATOM 922 C ILE A 63 -12.924 6.069 -7.308 1.00 0.00 C ATOM 923 O ILE A 63 -13.623 5.102 -7.003 1.00 0.00 O ATOM 924 CB ILE A 63 -13.650 6.045 -9.695 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.229 6.292 -11.145 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.814 6.947 -9.316 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.825 7.723 -11.422 1.00 0.00 C ATOM 0 H ILE A 63 -11.568 4.652 -9.725 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.103 7.299 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.974 5.008 -9.601 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.395 5.634 -11.390 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.053 6.021 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.647 6.772 -9.997 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.127 6.727 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.503 7.990 -9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.539 7.824 -12.469 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.664 8.386 -11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.980 7.992 -10.788 1.00 0.00 H new ATOM 939 N CYS A 64 -12.533 6.984 -6.428 1.00 0.00 N ATOM 940 CA CYS A 64 -12.909 6.904 -5.021 1.00 0.00 C ATOM 941 C CYS A 64 -14.398 6.604 -4.873 1.00 0.00 C ATOM 942 O CYS A 64 -15.201 6.861 -5.770 1.00 0.00 O ATOM 943 CB CYS A 64 -12.568 8.212 -4.305 1.00 0.00 C ATOM 944 SG CYS A 64 -13.932 9.419 -4.270 1.00 0.00 S ATOM 0 H CYS A 64 -11.955 7.791 -6.664 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.345 6.090 -4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.271 7.986 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.707 8.667 -4.794 1.00 0.00 H new ATOM 949 N PRO A 65 -14.776 6.045 -3.713 1.00 0.00 N ATOM 950 CA PRO A 65 -16.170 5.699 -3.419 1.00 0.00 C ATOM 951 C PRO A 65 -17.045 6.932 -3.224 1.00 0.00 C ATOM 952 O PRO A 65 -18.111 7.050 -3.828 1.00 0.00 O ATOM 953 CB PRO A 65 -16.070 4.902 -2.116 1.00 0.00 C ATOM 954 CG PRO A 65 -14.814 5.383 -1.474 1.00 0.00 C ATOM 955 CD PRO A 65 -13.873 5.711 -2.600 1.00 0.00 C ATOM 0 HA PRO A 65 -16.635 5.148 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.935 5.079 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.031 3.830 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.003 6.260 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.391 4.618 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.220 6.547 -2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.229 4.866 -2.845 1.00 0.00 H new ATOM 963 N ASN A 66 -16.588 7.848 -2.377 1.00 0.00 N ATOM 964 CA ASN A 66 -17.331 9.073 -2.103 1.00 0.00 C ATOM 965 C ASN A 66 -17.914 9.655 -3.387 1.00 0.00 C ATOM 966 O ASN A 66 -18.977 10.276 -3.373 1.00 0.00 O ATOM 967 CB ASN A 66 -16.423 10.104 -1.429 1.00 0.00 C ATOM 968 CG ASN A 66 -15.962 9.659 -0.055 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.577 9.995 0.958 1.00 0.00 O ATOM 970 ND2 ASN A 66 -14.875 8.898 -0.013 1.00 0.00 N ATOM 0 H ASN A 66 -15.708 7.766 -1.869 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.153 8.827 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.553 10.285 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.956 11.051 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.518 8.568 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.397 8.644 -0.877 1.00 0.00 H new ATOM 977 N CYS A 67 -17.211 9.449 -4.496 1.00 0.00 N ATOM 978 CA CYS A 67 -17.658 9.952 -5.789 1.00 0.00 C ATOM 979 C CYS A 67 -18.812 9.113 -6.330 1.00 0.00 C ATOM 980 O CYS A 67 -19.928 9.606 -6.499 1.00 0.00 O ATOM 981 CB CYS A 67 -16.500 9.951 -6.788 1.00 0.00 C ATOM 982 SG CYS A 67 -15.427 11.419 -6.685 1.00 0.00 S ATOM 0 H CYS A 67 -16.329 8.937 -4.525 1.00 0.00 H new ATOM 0 HA CYS A 67 -18.009 10.975 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.894 9.060 -6.625 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.905 9.881 -7.797 1.00 0.00 H new ATOM 987 N THR A 68 -18.536 7.841 -6.600 1.00 0.00 N ATOM 988 CA THR A 68 -19.549 6.933 -7.122 1.00 0.00 C ATOM 989 C THR A 68 -20.726 6.810 -6.161 1.00 0.00 C ATOM 990 O THR A 68 -21.875 7.037 -6.540 1.00 0.00 O ATOM 991 CB THR A 68 -18.966 5.531 -7.383 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.745 5.638 -8.123 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.956 4.667 -8.150 1.00 0.00 C ATOM 0 H THR A 68 -17.618 7.416 -6.466 1.00 0.00 H new ATOM 0 HA THR A 68 -19.896 7.356 -8.065 1.00 0.00 H new ATOM 0 HB THR A 68 -18.767 5.060 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.380 4.743 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.522 3.682 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.873 4.563 -7.571 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.183 5.136 -9.107 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.432 6.452 -4.916 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.467 6.302 -3.900 1.00 0.00 C ATOM 1003 C ILE A 69 -22.567 7.341 -4.079 1.00 0.00 C ATOM 1004 O ILE A 69 -23.754 7.033 -3.957 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.884 6.426 -2.480 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.956 5.247 -2.180 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.004 6.501 -1.453 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.228 5.371 -0.860 1.00 0.00 C ATOM 0 H ILE A 69 -19.486 6.260 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.889 5.305 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.301 7.345 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.540 4.327 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.224 5.158 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.576 6.588 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.628 7.371 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.611 5.597 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.589 4.500 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.617 6.273 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.953 5.429 -0.048 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.167 8.574 -4.371 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.120 9.661 -4.569 1.00 0.00 C ATOM 1022 C LEU A 70 -23.864 9.499 -5.891 1.00 0.00 C ATOM 1023 O LEU A 70 -25.093 9.545 -5.933 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.399 11.010 -4.539 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.793 11.417 -3.195 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.769 12.525 -3.386 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.884 11.856 -2.230 1.00 0.00 C ATOM 0 H LEU A 70 -21.190 8.846 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.847 9.626 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.603 10.990 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.103 11.783 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.286 10.551 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.348 12.802 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.972 12.175 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.252 13.394 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.435 12.142 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.419 12.708 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.580 11.033 -2.069 1.00 0.00 H new ATOM 1039 N SER A 71 -23.110 9.306 -6.969 1.00 0.00 N ATOM 1040 CA SER A 71 -23.698 9.138 -8.292 1.00 0.00 C ATOM 1041 C SER A 71 -23.830 7.659 -8.645 1.00 0.00 C ATOM 1042 O SER A 71 -22.848 7.000 -8.984 1.00 0.00 O ATOM 1043 CB SER A 71 -22.847 9.851 -9.346 1.00 0.00 C ATOM 1044 OG SER A 71 -23.203 9.438 -10.654 1.00 0.00 O ATOM 0 H SER A 71 -22.091 9.262 -6.951 1.00 0.00 H new ATOM 0 HA SER A 71 -24.694 9.581 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.977 10.929 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.792 9.641 -9.169 1.00 0.00 H new ATOM 0 HG SER A 71 -22.646 9.909 -11.309 1.00 0.00 H new ATOM 1050 N GLY A 72 -25.053 7.144 -8.561 1.00 0.00 N ATOM 1051 CA GLY A 72 -25.292 5.747 -8.874 1.00 0.00 C ATOM 1052 C GLY A 72 -26.169 5.065 -7.843 1.00 0.00 C ATOM 1053 O GLY A 72 -26.092 5.346 -6.647 1.00 0.00 O ATOM 0 H GLY A 72 -25.882 7.669 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -25.763 5.673 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.338 5.224 -8.939 1.00 0.00 H new ATOM 1057 N PRO A 73 -27.029 4.146 -8.307 1.00 0.00 N ATOM 1058 CA PRO A 73 -27.942 3.403 -7.433 1.00 0.00 C ATOM 1059 C PRO A 73 -27.209 2.409 -6.539 1.00 0.00 C ATOM 1060 O PRO A 73 -27.050 1.241 -6.894 1.00 0.00 O ATOM 1061 CB PRO A 73 -28.854 2.666 -8.417 1.00 0.00 C ATOM 1062 CG PRO A 73 -28.042 2.533 -9.659 1.00 0.00 C ATOM 1063 CD PRO A 73 -27.175 3.760 -9.721 1.00 0.00 C ATOM 0 HA PRO A 73 -28.475 4.061 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -29.148 1.690 -8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -29.771 3.225 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -27.436 1.628 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -28.682 2.463 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -26.210 3.547 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -27.641 4.552 -10.308 1.00 0.00 H new ATOM 1071 N SER A 74 -26.764 2.879 -5.379 1.00 0.00 N ATOM 1072 CA SER A 74 -26.044 2.032 -4.435 1.00 0.00 C ATOM 1073 C SER A 74 -26.853 0.781 -4.102 1.00 0.00 C ATOM 1074 O SER A 74 -28.055 0.856 -3.847 1.00 0.00 O ATOM 1075 CB SER A 74 -25.733 2.808 -3.154 1.00 0.00 C ATOM 1076 OG SER A 74 -26.924 3.196 -2.491 1.00 0.00 O ATOM 0 H SER A 74 -26.889 3.843 -5.069 1.00 0.00 H new ATOM 0 HA SER A 74 -25.108 1.725 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 74 -25.127 2.192 -2.490 1.00 0.00 H new ATOM 0 HB3 SER A 74 -25.143 3.692 -3.395 1.00 0.00 H new ATOM 0 HG SER A 74 -26.698 3.689 -1.675 1.00 0.00 H new ATOM 1082 N SER A 75 -26.184 -0.367 -4.107 1.00 0.00 N ATOM 1083 CA SER A 75 -26.839 -1.635 -3.810 1.00 0.00 C ATOM 1084 C SER A 75 -27.547 -1.577 -2.459 1.00 0.00 C ATOM 1085 O SER A 75 -26.938 -1.255 -1.440 1.00 0.00 O ATOM 1086 CB SER A 75 -25.819 -2.775 -3.814 1.00 0.00 C ATOM 1087 OG SER A 75 -26.434 -4.011 -3.497 1.00 0.00 O ATOM 0 H SER A 75 -25.188 -0.445 -4.314 1.00 0.00 H new ATOM 0 HA SER A 75 -27.583 -1.821 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.347 -2.841 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 75 -25.029 -2.563 -3.093 1.00 0.00 H new ATOM 0 HG SER A 75 -25.761 -4.723 -3.508 1.00 0.00 H new ATOM 1093 N GLY A 76 -28.839 -1.891 -2.461 1.00 0.00 N ATOM 1094 CA GLY A 76 -29.610 -1.868 -1.232 1.00 0.00 C ATOM 1095 C GLY A 76 -31.046 -1.436 -1.456 1.00 0.00 C ATOM 1096 O GLY A 76 -31.639 -1.826 -2.460 1.00 0.00 O ATOM 0 H GLY A 76 -29.365 -2.161 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -29.599 -2.860 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -29.136 -1.190 -0.522 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.632 9.235 6.150 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.309 11.048 -5.808 1.00 0.00 ZN