USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 169:sc= 0 (180deg=-0.12) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.491 USER MOD Single : A 9 ASN : amide:sc= -0.0725 K(o=-0.072,f=-1.1!) USER MOD Single : A 10 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -10.8! C(o=-11!,f=-8.7!) USER MOD Single : A 27 THR OG1 : rot 120:sc= -1.22 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -8.3! C(o=-8.3!,f=-8.6!) USER MOD Single : A 33 ASN : amide:sc=-0.00717 K(o=-0.0072,f=-0.61) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.832 K(o=-0.83,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.096 -8.905 18.273 1.00 0.00 N ATOM 2 CA GLU A 1 5.048 -10.008 19.218 1.00 0.00 C ATOM 3 C GLU A 1 3.704 -10.732 19.120 1.00 0.00 C ATOM 4 O GLU A 1 3.090 -11.050 20.138 1.00 0.00 O ATOM 5 CB GLU A 1 5.305 -9.519 20.644 1.00 0.00 C ATOM 6 CG GLU A 1 4.179 -8.598 21.120 1.00 0.00 C ATOM 7 CD GLU A 1 3.899 -8.800 22.610 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.757 -9.977 23.007 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.832 -7.773 23.319 1.00 0.00 O ATOM 0 H1 GLU A 1 5.926 -8.311 18.474 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.165 -9.280 17.305 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.232 -8.333 18.362 1.00 0.00 H new ATOM 0 HA GLU A 1 5.838 -10.714 18.964 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.389 -10.373 21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.256 -8.987 20.684 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.452 -7.559 20.935 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.274 -8.797 20.546 1.00 0.00 H new ATOM 16 N GLU A 2 3.285 -10.972 17.886 1.00 0.00 N ATOM 17 CA GLU A 2 2.024 -11.653 17.643 1.00 0.00 C ATOM 18 C GLU A 2 1.678 -11.611 16.153 1.00 0.00 C ATOM 19 O GLU A 2 1.600 -12.651 15.501 1.00 0.00 O ATOM 20 CB GLU A 2 0.901 -11.044 18.484 1.00 0.00 C ATOM 21 CG GLU A 2 0.232 -12.108 19.358 1.00 0.00 C ATOM 22 CD GLU A 2 -1.082 -12.582 18.735 1.00 0.00 C ATOM 23 OE1 GLU A 2 -1.920 -11.703 18.438 1.00 0.00 O ATOM 24 OE2 GLU A 2 -1.219 -13.813 18.569 1.00 0.00 O ATOM 0 H GLU A 2 3.796 -10.707 17.044 1.00 0.00 H new ATOM 0 HA GLU A 2 2.132 -12.696 17.942 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.303 -10.251 19.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.159 -10.586 17.830 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.905 -12.956 19.484 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.042 -11.701 20.351 1.00 0.00 H new ATOM 31 N TYR A 3 1.479 -10.399 15.658 1.00 0.00 N ATOM 32 CA TYR A 3 1.143 -10.208 14.257 1.00 0.00 C ATOM 33 C TYR A 3 0.993 -8.722 13.927 1.00 0.00 C ATOM 34 O TYR A 3 0.126 -8.044 14.477 1.00 0.00 O ATOM 35 CB TYR A 3 -0.205 -10.902 14.049 1.00 0.00 C ATOM 36 CG TYR A 3 -0.454 -11.357 12.610 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.001 -12.590 12.187 1.00 0.00 C ATOM 38 CD2 TYR A 3 -1.134 -10.535 11.734 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.234 -13.018 10.832 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.368 -10.963 10.379 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.907 -12.184 9.995 1.00 0.00 C ATOM 42 OH TYR A 3 -1.129 -12.588 8.716 1.00 0.00 O ATOM 0 H TYR A 3 1.544 -9.539 16.202 1.00 0.00 H new ATOM 0 HA TYR A 3 1.926 -10.613 13.616 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.262 -11.768 14.708 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.002 -10.221 14.347 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.533 -13.233 12.872 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.491 -9.571 12.065 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.117 -13.980 10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.898 -10.329 9.683 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.622 -11.892 8.234 1.00 0.00 H new ATOM 52 N VAL A 4 1.851 -8.258 13.030 1.00 0.00 N ATOM 53 CA VAL A 4 1.826 -6.865 12.619 1.00 0.00 C ATOM 54 C VAL A 4 1.804 -6.788 11.092 1.00 0.00 C ATOM 55 O VAL A 4 2.191 -7.738 10.413 1.00 0.00 O ATOM 56 CB VAL A 4 3.007 -6.115 13.239 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.226 -4.769 12.546 1.00 0.00 C ATOM 58 CG2 VAL A 4 2.810 -5.931 14.745 1.00 0.00 C ATOM 0 H VAL A 4 2.569 -8.823 12.576 1.00 0.00 H new ATOM 0 HA VAL A 4 0.922 -6.376 12.982 1.00 0.00 H new ATOM 0 HB VAL A 4 3.903 -6.718 13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.071 -4.256 13.006 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.433 -4.934 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.330 -4.157 12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.663 -5.395 15.161 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.900 -5.359 14.926 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.726 -6.907 15.223 1.00 0.00 H new ATOM 68 N GLY A 5 1.347 -5.648 10.595 1.00 0.00 N ATOM 69 CA GLY A 5 1.270 -5.434 9.160 1.00 0.00 C ATOM 70 C GLY A 5 0.691 -4.054 8.841 1.00 0.00 C ATOM 71 O GLY A 5 1.103 -3.412 7.876 1.00 0.00 O ATOM 0 H GLY A 5 1.026 -4.862 11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.264 -5.526 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.649 -6.206 8.706 1.00 0.00 H new ATOM 75 N LEU A 6 -0.255 -3.639 9.670 1.00 0.00 N ATOM 76 CA LEU A 6 -0.895 -2.347 9.488 1.00 0.00 C ATOM 77 C LEU A 6 -0.188 -1.306 10.359 1.00 0.00 C ATOM 78 O LEU A 6 -0.839 -0.540 11.068 1.00 0.00 O ATOM 79 CB LEU A 6 -2.398 -2.451 9.753 1.00 0.00 C ATOM 80 CG LEU A 6 -2.812 -3.333 10.933 1.00 0.00 C ATOM 81 CD1 LEU A 6 -4.023 -2.744 11.659 1.00 0.00 C ATOM 82 CD2 LEU A 6 -3.059 -4.774 10.481 1.00 0.00 C ATOM 0 H LEU A 6 -0.594 -4.174 10.469 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.799 -2.017 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.787 -1.447 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.880 -2.833 8.853 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.989 -3.357 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.297 -3.390 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.775 -1.752 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.862 -2.670 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.352 -5.379 11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.855 -4.790 9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.146 -5.180 10.045 1.00 0.00 H new ATOM 94 N SER A 7 1.134 -1.312 10.277 1.00 0.00 N ATOM 95 CA SER A 7 1.936 -0.378 11.049 1.00 0.00 C ATOM 96 C SER A 7 2.786 0.481 10.111 1.00 0.00 C ATOM 97 O SER A 7 2.716 1.708 10.153 1.00 0.00 O ATOM 98 CB SER A 7 2.829 -1.115 12.049 1.00 0.00 C ATOM 99 OG SER A 7 3.965 -1.701 11.420 1.00 0.00 O ATOM 0 H SER A 7 1.670 -1.949 9.688 1.00 0.00 H new ATOM 0 HA SER A 7 1.262 0.268 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.160 -0.420 12.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.250 -1.892 12.548 1.00 0.00 H new ATOM 0 HG SER A 7 4.510 -2.160 12.092 1.00 0.00 H new ATOM 105 N ALA A 8 3.570 -0.198 9.286 1.00 0.00 N ATOM 106 CA ALA A 8 4.433 0.488 8.339 1.00 0.00 C ATOM 107 C ALA A 8 5.488 -0.489 7.817 1.00 0.00 C ATOM 108 O ALA A 8 5.954 -0.359 6.686 1.00 0.00 O ATOM 109 CB ALA A 8 5.054 1.715 9.010 1.00 0.00 C ATOM 0 H ALA A 8 3.626 -1.216 9.254 1.00 0.00 H new ATOM 0 HA ALA A 8 3.859 0.841 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.701 2.230 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.263 2.391 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.640 1.400 9.873 1.00 0.00 H new ATOM 115 N ASN A 9 5.835 -1.445 8.666 1.00 0.00 N ATOM 116 CA ASN A 9 6.827 -2.443 8.305 1.00 0.00 C ATOM 117 C ASN A 9 6.605 -2.875 6.854 1.00 0.00 C ATOM 118 O ASN A 9 7.547 -2.916 6.064 1.00 0.00 O ATOM 119 CB ASN A 9 6.707 -3.685 9.191 1.00 0.00 C ATOM 120 CG ASN A 9 7.973 -4.540 9.111 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.789 -4.405 8.214 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.091 -5.426 10.096 1.00 0.00 N ATOM 0 H ASN A 9 5.447 -1.550 9.603 1.00 0.00 H new ATOM 0 HA ASN A 9 7.814 -2.000 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.532 -3.384 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.845 -4.275 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.901 -6.044 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.371 -5.487 10.816 1.00 0.00 H new ATOM 129 N GLN A 10 5.354 -3.186 6.548 1.00 0.00 N ATOM 130 CA GLN A 10 4.997 -3.613 5.206 1.00 0.00 C ATOM 131 C GLN A 10 4.934 -2.409 4.265 1.00 0.00 C ATOM 132 O GLN A 10 5.303 -2.510 3.096 1.00 0.00 O ATOM 133 CB GLN A 10 3.671 -4.377 5.208 1.00 0.00 C ATOM 134 CG GLN A 10 3.419 -5.034 6.567 1.00 0.00 C ATOM 135 CD GLN A 10 2.454 -6.214 6.436 1.00 0.00 C ATOM 136 OE1 GLN A 10 2.812 -7.365 6.622 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.214 -5.864 6.106 1.00 0.00 N ATOM 0 H GLN A 10 4.575 -3.151 7.206 1.00 0.00 H new ATOM 0 HA GLN A 10 5.769 -4.292 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.854 -3.695 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.685 -5.139 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.363 -5.377 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.008 -4.299 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.982 -4.881 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.495 -6.579 5.994 1.00 0.00 H new ATOM 146 N CYS A 11 4.463 -1.297 4.809 1.00 0.00 N ATOM 147 CA CYS A 11 4.346 -0.074 4.033 1.00 0.00 C ATOM 148 C CYS A 11 5.393 0.919 4.541 1.00 0.00 C ATOM 149 O CYS A 11 5.087 2.090 4.762 1.00 0.00 O ATOM 150 CB CYS A 11 2.931 0.505 4.097 1.00 0.00 C ATOM 151 SG CYS A 11 1.639 -0.684 4.612 1.00 0.00 S ATOM 0 H CYS A 11 4.158 -1.217 5.779 1.00 0.00 H new ATOM 0 HA CYS A 11 4.531 -0.289 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.929 1.346 4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.671 0.901 3.115 1.00 0.00 H new ATOM 156 N ALA A 12 6.607 0.416 4.711 1.00 0.00 N ATOM 157 CA ALA A 12 7.700 1.244 5.190 1.00 0.00 C ATOM 158 C ALA A 12 8.695 1.476 4.050 1.00 0.00 C ATOM 159 O ALA A 12 9.903 1.336 4.238 1.00 0.00 O ATOM 160 CB ALA A 12 8.350 0.581 6.405 1.00 0.00 C ATOM 0 H ALA A 12 6.858 -0.555 4.525 1.00 0.00 H new ATOM 0 HA ALA A 12 7.331 2.218 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.170 1.203 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.609 0.466 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.735 -0.399 6.122 1.00 0.00 H new ATOM 166 N VAL A 13 8.151 1.825 2.894 1.00 0.00 N ATOM 167 CA VAL A 13 8.975 2.077 1.724 1.00 0.00 C ATOM 168 C VAL A 13 9.373 3.554 1.695 1.00 0.00 C ATOM 169 O VAL A 13 8.616 4.414 2.142 1.00 0.00 O ATOM 170 CB VAL A 13 8.240 1.631 0.459 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.203 0.974 -0.532 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.081 0.692 0.801 1.00 0.00 C ATOM 0 H VAL A 13 7.149 1.939 2.742 1.00 0.00 H new ATOM 0 HA VAL A 13 9.894 1.493 1.772 1.00 0.00 H new ATOM 0 HB VAL A 13 7.823 2.519 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.655 0.666 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.979 1.686 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.662 0.101 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.575 0.390 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.466 -0.191 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.375 1.208 1.452 1.00 0.00 H new ATOM 182 N PRO A 14 10.592 3.810 1.149 1.00 0.00 N ATOM 183 CA PRO A 14 11.100 5.168 1.055 1.00 0.00 C ATOM 184 C PRO A 14 10.398 5.940 -0.064 1.00 0.00 C ATOM 185 O PRO A 14 10.691 7.112 -0.293 1.00 0.00 O ATOM 186 CB PRO A 14 12.595 5.014 0.824 1.00 0.00 C ATOM 187 CG PRO A 14 12.796 3.590 0.335 1.00 0.00 C ATOM 188 CD PRO A 14 11.516 2.817 0.609 1.00 0.00 C ATOM 0 HA PRO A 14 10.908 5.752 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.953 5.734 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.153 5.194 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.026 3.581 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.639 3.126 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.124 2.365 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.686 2.007 1.319 1.00 0.00 H new ATOM 196 N ALA A 15 9.486 5.250 -0.733 1.00 0.00 N ATOM 197 CA ALA A 15 8.740 5.856 -1.823 1.00 0.00 C ATOM 198 C ALA A 15 9.479 5.609 -3.139 1.00 0.00 C ATOM 199 O ALA A 15 8.874 5.641 -4.210 1.00 0.00 O ATOM 200 CB ALA A 15 8.538 7.345 -1.537 1.00 0.00 C ATOM 0 H ALA A 15 9.247 4.277 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 15 7.752 5.405 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.978 7.800 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.983 7.465 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.508 7.833 -1.446 1.00 0.00 H new ATOM 206 N LYS A 16 10.776 5.370 -3.017 1.00 0.00 N ATOM 207 CA LYS A 16 11.605 5.118 -4.184 1.00 0.00 C ATOM 208 C LYS A 16 11.662 3.612 -4.448 1.00 0.00 C ATOM 209 O LYS A 16 12.449 3.153 -5.274 1.00 0.00 O ATOM 210 CB LYS A 16 12.980 5.766 -4.014 1.00 0.00 C ATOM 211 CG LYS A 16 13.725 5.166 -2.820 1.00 0.00 C ATOM 212 CD LYS A 16 14.508 3.918 -3.233 1.00 0.00 C ATOM 213 CE LYS A 16 15.530 4.247 -4.323 1.00 0.00 C ATOM 214 NZ LYS A 16 16.865 3.724 -3.957 1.00 0.00 N ATOM 0 H LYS A 16 11.274 5.345 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 16 11.168 5.580 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.567 5.625 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.865 6.841 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.408 5.907 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.014 4.910 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.019 3.501 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.819 3.155 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.211 3.814 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.583 5.326 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.546 3.956 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.174 4.156 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.814 2.692 -3.843 1.00 0.00 H new ATOM 228 N ASP A 17 10.817 2.886 -3.732 1.00 0.00 N ATOM 229 CA ASP A 17 10.761 1.441 -3.879 1.00 0.00 C ATOM 230 C ASP A 17 9.301 1.001 -3.997 1.00 0.00 C ATOM 231 O ASP A 17 8.986 -0.174 -3.813 1.00 0.00 O ATOM 232 CB ASP A 17 11.370 0.740 -2.662 1.00 0.00 C ATOM 233 CG ASP A 17 12.573 -0.154 -2.966 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.758 -0.470 -4.162 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.281 -0.502 -1.997 1.00 0.00 O ATOM 0 H ASP A 17 10.165 3.271 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 17 11.326 1.170 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.673 1.497 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.598 0.135 -2.186 1.00 0.00 H new ATOM 240 N ARG A 18 8.448 1.967 -4.304 1.00 0.00 N ATOM 241 CA ARG A 18 7.028 1.693 -4.449 1.00 0.00 C ATOM 242 C ARG A 18 6.756 0.990 -5.780 1.00 0.00 C ATOM 243 O ARG A 18 7.044 1.536 -6.844 1.00 0.00 O ATOM 244 CB ARG A 18 6.209 2.984 -4.385 1.00 0.00 C ATOM 245 CG ARG A 18 6.666 3.866 -3.222 1.00 0.00 C ATOM 246 CD ARG A 18 6.354 3.206 -1.877 1.00 0.00 C ATOM 247 NE ARG A 18 6.374 4.220 -0.799 1.00 0.00 N ATOM 248 CZ ARG A 18 5.522 5.251 -0.722 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.578 5.412 -1.660 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.614 6.122 0.292 1.00 0.00 N ATOM 0 H ARG A 18 8.712 2.940 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 18 6.729 1.045 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.311 3.531 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.152 2.743 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.737 4.051 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.170 4.835 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.377 2.725 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.085 2.426 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 18 7.081 4.128 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.508 4.749 -2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.929 6.197 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.333 6.000 1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.965 6.907 0.351 1.00 0.00 H new ATOM 264 N VAL A 19 6.205 -0.210 -5.677 1.00 0.00 N ATOM 265 CA VAL A 19 5.891 -0.993 -6.860 1.00 0.00 C ATOM 266 C VAL A 19 4.533 -0.555 -7.412 1.00 0.00 C ATOM 267 O VAL A 19 4.145 -0.957 -8.507 1.00 0.00 O ATOM 268 CB VAL A 19 5.948 -2.486 -6.530 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.196 -3.318 -7.790 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.010 -2.772 -5.466 1.00 0.00 C ATOM 0 H VAL A 19 5.968 -0.659 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 19 6.631 -0.817 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 19 4.979 -2.776 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.232 -4.375 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.389 -3.149 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.144 -3.024 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.030 -3.840 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.987 -2.458 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.771 -2.222 -4.556 1.00 0.00 H new ATOM 280 N ASP A 20 3.848 0.265 -6.627 1.00 0.00 N ATOM 281 CA ASP A 20 2.542 0.763 -7.023 1.00 0.00 C ATOM 282 C ASP A 20 1.594 -0.419 -7.238 1.00 0.00 C ATOM 283 O ASP A 20 1.841 -1.271 -8.090 1.00 0.00 O ATOM 284 CB ASP A 20 2.626 1.546 -8.335 1.00 0.00 C ATOM 285 CG ASP A 20 1.286 1.775 -9.037 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.809 0.814 -9.678 1.00 0.00 O ATOM 287 OD2 ASP A 20 0.769 2.907 -8.918 1.00 0.00 O ATOM 0 H ASP A 20 4.173 0.596 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 20 2.178 1.420 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.084 2.514 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.290 1.014 -9.016 1.00 0.00 H new ATOM 292 N CYS A 21 0.530 -0.434 -6.449 1.00 0.00 N ATOM 293 CA CYS A 21 -0.456 -1.497 -6.542 1.00 0.00 C ATOM 294 C CYS A 21 -1.440 -1.143 -7.658 1.00 0.00 C ATOM 295 O CYS A 21 -2.127 -2.017 -8.186 1.00 0.00 O ATOM 296 CB CYS A 21 -1.167 -1.727 -5.206 1.00 0.00 C ATOM 297 SG CYS A 21 -1.510 -3.481 -4.812 1.00 0.00 S ATOM 0 H CYS A 21 0.329 0.273 -5.742 1.00 0.00 H new ATOM 0 HA CYS A 21 0.040 -2.437 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.558 -1.302 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.110 -1.180 -5.213 1.00 0.00 H new ATOM 302 N GLY A 22 -1.478 0.140 -7.986 1.00 0.00 N ATOM 303 CA GLY A 22 -2.367 0.620 -9.031 1.00 0.00 C ATOM 304 C GLY A 22 -3.831 0.495 -8.605 1.00 0.00 C ATOM 305 O GLY A 22 -4.462 -0.535 -8.835 1.00 0.00 O ATOM 0 H GLY A 22 -0.907 0.862 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.138 1.661 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.201 0.050 -9.945 1.00 0.00 H new ATOM 309 N TYR A 23 -4.328 1.559 -7.992 1.00 0.00 N ATOM 310 CA TYR A 23 -5.706 1.582 -7.532 1.00 0.00 C ATOM 311 C TYR A 23 -6.348 2.947 -7.791 1.00 0.00 C ATOM 312 O TYR A 23 -5.672 3.973 -7.748 1.00 0.00 O ATOM 313 CB TYR A 23 -5.651 1.336 -6.023 1.00 0.00 C ATOM 314 CG TYR A 23 -5.763 -0.138 -5.628 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.923 -0.837 -5.895 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.705 -0.768 -5.006 1.00 0.00 C ATOM 317 CE1 TYR A 23 -7.029 -2.224 -5.523 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.811 -2.155 -4.635 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.967 -2.815 -4.912 1.00 0.00 C ATOM 320 OH TYR A 23 -6.067 -4.126 -4.561 1.00 0.00 O ATOM 0 H TYR A 23 -3.801 2.412 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.298 0.832 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.714 1.736 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.458 1.892 -5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.751 -0.344 -6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.797 -0.221 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.931 -2.782 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.990 -2.660 -4.147 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.233 -4.415 -4.135 1.00 0.00 H new ATOM 330 N PRO A 24 -7.681 2.913 -8.061 1.00 0.00 N ATOM 331 CA PRO A 24 -8.422 4.134 -8.327 1.00 0.00 C ATOM 332 C PRO A 24 -8.668 4.918 -7.037 1.00 0.00 C ATOM 333 O PRO A 24 -8.074 5.974 -6.824 1.00 0.00 O ATOM 334 CB PRO A 24 -9.706 3.677 -8.999 1.00 0.00 C ATOM 335 CG PRO A 24 -9.847 2.200 -8.666 1.00 0.00 C ATOM 336 CD PRO A 24 -8.514 1.716 -8.121 1.00 0.00 C ATOM 0 HA PRO A 24 -7.877 4.825 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.562 4.244 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.659 3.832 -10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.638 2.048 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.125 1.633 -9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.630 1.264 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.073 0.959 -8.769 1.00 0.00 H new ATOM 344 N HIS A 25 -9.545 4.371 -6.208 1.00 0.00 N ATOM 345 CA HIS A 25 -9.878 5.006 -4.944 1.00 0.00 C ATOM 346 C HIS A 25 -8.958 4.473 -3.844 1.00 0.00 C ATOM 347 O HIS A 25 -9.310 3.529 -3.138 1.00 0.00 O ATOM 348 CB HIS A 25 -11.361 4.822 -4.617 1.00 0.00 C ATOM 349 CG HIS A 25 -11.725 3.422 -4.184 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.873 3.134 -3.467 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.082 2.234 -4.374 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.909 1.829 -3.240 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.797 1.273 -3.803 1.00 0.00 N ATOM 0 H HIS A 25 -10.035 3.495 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.713 6.081 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.637 5.519 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.951 5.085 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.149 2.099 -4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.682 1.299 -2.704 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.555 0.282 -3.787 1.00 0.00 H new ATOM 362 N VAL A 26 -7.796 5.100 -3.733 1.00 0.00 N ATOM 363 CA VAL A 26 -6.822 4.701 -2.731 1.00 0.00 C ATOM 364 C VAL A 26 -6.944 5.619 -1.514 1.00 0.00 C ATOM 365 O VAL A 26 -6.919 6.842 -1.649 1.00 0.00 O ATOM 366 CB VAL A 26 -5.418 4.696 -3.339 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.291 3.618 -4.417 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.058 6.074 -3.897 1.00 0.00 C ATOM 0 H VAL A 26 -7.507 5.882 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.018 3.684 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.710 4.460 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.284 3.636 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.485 2.639 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.014 3.809 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.055 6.043 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.773 6.351 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.089 6.811 -3.094 1.00 0.00 H new ATOM 378 N THR A 27 -7.072 4.995 -0.352 1.00 0.00 N ATOM 379 CA THR A 27 -7.198 5.741 0.889 1.00 0.00 C ATOM 380 C THR A 27 -6.425 5.044 2.010 1.00 0.00 C ATOM 381 O THR A 27 -5.962 3.917 1.842 1.00 0.00 O ATOM 382 CB THR A 27 -8.688 5.909 1.191 1.00 0.00 C ATOM 383 OG1 THR A 27 -9.050 4.693 1.840 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.545 5.924 -0.077 1.00 0.00 C ATOM 0 H THR A 27 -7.091 3.981 -0.244 1.00 0.00 H new ATOM 0 HA THR A 27 -6.756 6.734 0.801 1.00 0.00 H new ATOM 0 HB THR A 27 -8.844 6.835 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.386 4.890 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.594 6.046 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.237 6.752 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.416 4.985 -0.615 1.00 0.00 H new ATOM 392 N PRO A 28 -6.308 5.762 3.159 1.00 0.00 N ATOM 393 CA PRO A 28 -5.599 5.225 4.308 1.00 0.00 C ATOM 394 C PRO A 28 -6.436 4.159 5.019 1.00 0.00 C ATOM 395 O PRO A 28 -6.438 4.083 6.247 1.00 0.00 O ATOM 396 CB PRO A 28 -5.302 6.430 5.186 1.00 0.00 C ATOM 397 CG PRO A 28 -6.254 7.523 4.729 1.00 0.00 C ATOM 398 CD PRO A 28 -6.844 7.100 3.394 1.00 0.00 C ATOM 0 HA PRO A 28 -4.677 4.713 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.455 6.193 6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.264 6.746 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.044 7.673 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.726 8.472 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.933 7.090 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.556 7.787 2.598 1.00 0.00 H new ATOM 406 N LYS A 29 -7.127 3.362 4.217 1.00 0.00 N ATOM 407 CA LYS A 29 -7.966 2.305 4.754 1.00 0.00 C ATOM 408 C LYS A 29 -8.571 1.504 3.599 1.00 0.00 C ATOM 409 O LYS A 29 -8.667 0.280 3.672 1.00 0.00 O ATOM 410 CB LYS A 29 -9.007 2.882 5.714 1.00 0.00 C ATOM 411 CG LYS A 29 -9.405 1.854 6.775 1.00 0.00 C ATOM 412 CD LYS A 29 -10.675 1.107 6.366 1.00 0.00 C ATOM 413 CE LYS A 29 -10.838 -0.182 7.175 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.479 0.102 8.478 1.00 0.00 N ATOM 0 H LYS A 29 -7.123 3.427 3.199 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.371 1.611 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.606 3.773 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.889 3.193 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.592 1.143 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.565 2.355 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.543 1.748 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.636 0.871 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.441 -0.896 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.864 -0.644 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.582 -0.783 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.889 0.767 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.417 0.522 8.319 1.00 0.00 H new ATOM 428 N GLU A 30 -8.963 2.227 2.561 1.00 0.00 N ATOM 429 CA GLU A 30 -9.556 1.600 1.393 1.00 0.00 C ATOM 430 C GLU A 30 -8.469 0.971 0.518 1.00 0.00 C ATOM 431 O GLU A 30 -8.673 -0.094 -0.063 1.00 0.00 O ATOM 432 CB GLU A 30 -10.389 2.604 0.594 1.00 0.00 C ATOM 433 CG GLU A 30 -11.061 1.930 -0.604 1.00 0.00 C ATOM 434 CD GLU A 30 -12.582 2.078 -0.535 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.068 3.149 -0.959 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.225 1.118 -0.059 1.00 0.00 O ATOM 0 H GLU A 30 -8.881 3.242 2.505 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.226 0.810 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.148 3.047 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.751 3.417 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.691 2.372 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.796 0.873 -0.627 1.00 0.00 H new ATOM 443 N CYS A 31 -7.338 1.657 0.452 1.00 0.00 N ATOM 444 CA CYS A 31 -6.218 1.180 -0.341 1.00 0.00 C ATOM 445 C CYS A 31 -5.574 0.003 0.395 1.00 0.00 C ATOM 446 O CYS A 31 -5.008 -0.891 -0.231 1.00 0.00 O ATOM 447 CB CYS A 31 -5.210 2.295 -0.627 1.00 0.00 C ATOM 448 SG CYS A 31 -3.508 1.721 -0.976 1.00 0.00 S ATOM 0 H CYS A 31 -7.173 2.540 0.935 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.576 0.846 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.564 2.876 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.183 2.969 0.229 1.00 0.00 H new ATOM 453 N ASN A 32 -5.682 0.043 1.715 1.00 0.00 N ATOM 454 CA ASN A 32 -5.117 -1.009 2.544 1.00 0.00 C ATOM 455 C ASN A 32 -6.164 -2.105 2.753 1.00 0.00 C ATOM 456 O ASN A 32 -5.880 -3.129 3.372 1.00 0.00 O ATOM 457 CB ASN A 32 -4.715 -0.471 3.918 1.00 0.00 C ATOM 458 CG ASN A 32 -4.066 0.909 3.799 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.856 1.051 3.732 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.935 1.916 3.775 1.00 0.00 N ATOM 0 H ASN A 32 -6.152 0.787 2.231 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.235 -1.400 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.594 -0.409 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.021 -1.163 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.601 2.876 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.936 1.728 3.835 1.00 0.00 H new ATOM 467 N ASN A 33 -7.352 -1.853 2.224 1.00 0.00 N ATOM 468 CA ASN A 33 -8.443 -2.805 2.345 1.00 0.00 C ATOM 469 C ASN A 33 -8.581 -3.585 1.036 1.00 0.00 C ATOM 470 O ASN A 33 -8.809 -4.794 1.050 1.00 0.00 O ATOM 471 CB ASN A 33 -9.770 -2.092 2.612 1.00 0.00 C ATOM 472 CG ASN A 33 -10.934 -3.085 2.620 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.797 -4.240 2.989 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.085 -2.573 2.192 1.00 0.00 N ATOM 0 H ASN A 33 -7.583 -1.003 1.710 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.218 -3.471 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.722 -1.574 3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.940 -1.333 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.921 -3.156 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.131 -1.598 1.897 1.00 0.00 H new ATOM 481 N ARG A 34 -8.436 -2.862 -0.065 1.00 0.00 N ATOM 482 CA ARG A 34 -8.541 -3.470 -1.380 1.00 0.00 C ATOM 483 C ARG A 34 -7.561 -4.639 -1.504 1.00 0.00 C ATOM 484 O ARG A 34 -7.794 -5.571 -2.272 1.00 0.00 O ATOM 485 CB ARG A 34 -8.251 -2.451 -2.484 1.00 0.00 C ATOM 486 CG ARG A 34 -9.174 -2.666 -3.685 1.00 0.00 C ATOM 487 CD ARG A 34 -10.638 -2.740 -3.245 1.00 0.00 C ATOM 488 NE ARG A 34 -11.096 -4.148 -3.245 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.363 -4.525 -3.025 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.305 -3.603 -2.785 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.688 -5.825 -3.044 1.00 0.00 N ATOM 0 H ARG A 34 -8.246 -1.860 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.562 -3.833 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.383 -1.441 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.211 -2.538 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.045 -1.851 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.898 -3.586 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.749 -2.313 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.259 -2.147 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.404 -4.876 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.058 -2.613 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.269 -3.891 -2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.971 -6.527 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.652 -6.112 -2.877 1.00 0.00 H new ATOM 505 N GLY A 35 -6.484 -4.550 -0.737 1.00 0.00 N ATOM 506 CA GLY A 35 -5.468 -5.588 -0.751 1.00 0.00 C ATOM 507 C GLY A 35 -4.108 -5.018 -1.159 1.00 0.00 C ATOM 508 O GLY A 35 -3.636 -5.261 -2.268 1.00 0.00 O ATOM 0 H GLY A 35 -6.293 -3.775 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.394 -6.043 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.759 -6.377 -1.445 1.00 0.00 H new ATOM 512 N CYS A 36 -3.515 -4.271 -0.239 1.00 0.00 N ATOM 513 CA CYS A 36 -2.219 -3.664 -0.489 1.00 0.00 C ATOM 514 C CYS A 36 -1.930 -2.668 0.636 1.00 0.00 C ATOM 515 O CYS A 36 -2.512 -2.760 1.716 1.00 0.00 O ATOM 516 CB CYS A 36 -2.160 -3.001 -1.867 1.00 0.00 C ATOM 517 SG CYS A 36 -0.811 -3.598 -2.949 1.00 0.00 S ATOM 0 H CYS A 36 -3.909 -4.072 0.681 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.449 -4.436 -0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.112 -3.163 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.050 -1.925 -1.732 1.00 0.00 H new ATOM 522 N CYS A 37 -1.032 -1.739 0.344 1.00 0.00 N ATOM 523 CA CYS A 37 -0.658 -0.727 1.318 1.00 0.00 C ATOM 524 C CYS A 37 -0.986 0.648 0.732 1.00 0.00 C ATOM 525 O CYS A 37 -1.013 0.817 -0.486 1.00 0.00 O ATOM 526 CB CYS A 37 0.814 -0.841 1.716 1.00 0.00 C ATOM 527 SG CYS A 37 1.140 -1.934 3.147 1.00 0.00 S ATOM 0 H CYS A 37 -0.552 -1.665 -0.553 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.227 -0.875 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.380 -1.208 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.192 0.155 1.944 1.00 0.00 H new ATOM 532 N PHE A 38 -1.227 1.595 1.626 1.00 0.00 N ATOM 533 CA PHE A 38 -1.552 2.950 1.213 1.00 0.00 C ATOM 534 C PHE A 38 -0.509 3.945 1.726 1.00 0.00 C ATOM 535 O PHE A 38 0.385 3.576 2.486 1.00 0.00 O ATOM 536 CB PHE A 38 -2.911 3.291 1.828 1.00 0.00 C ATOM 537 CG PHE A 38 -3.333 4.749 1.635 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.914 5.141 0.470 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.125 5.654 2.629 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.305 6.494 0.291 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.516 7.007 2.450 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.098 7.399 1.285 1.00 0.00 C ATOM 0 H PHE A 38 -1.204 1.451 2.636 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.570 3.013 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.670 2.643 1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.881 3.070 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.078 4.423 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.663 5.343 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.767 6.805 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.351 7.725 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.396 8.428 1.149 1.00 0.00 H new ATOM 552 N ASP A 39 -0.658 5.187 1.289 1.00 0.00 N ATOM 553 CA ASP A 39 0.260 6.238 1.695 1.00 0.00 C ATOM 554 C ASP A 39 -0.181 7.563 1.071 1.00 0.00 C ATOM 555 O ASP A 39 -0.684 7.588 -0.052 1.00 0.00 O ATOM 556 CB ASP A 39 1.683 5.941 1.217 1.00 0.00 C ATOM 557 CG ASP A 39 2.661 7.111 1.335 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.952 7.494 2.488 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.097 7.595 0.268 1.00 0.00 O ATOM 0 H ASP A 39 -1.400 5.489 0.658 1.00 0.00 H new ATOM 0 HA ASP A 39 0.249 6.294 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.075 5.100 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.642 5.625 0.175 1.00 0.00 H new ATOM 564 N SER A 40 0.022 8.633 1.826 1.00 0.00 N ATOM 565 CA SER A 40 -0.348 9.958 1.361 1.00 0.00 C ATOM 566 C SER A 40 0.769 10.955 1.677 1.00 0.00 C ATOM 567 O SER A 40 0.557 12.166 1.631 1.00 0.00 O ATOM 568 CB SER A 40 -1.663 10.417 1.995 1.00 0.00 C ATOM 569 OG SER A 40 -1.545 10.586 3.405 1.00 0.00 O ATOM 0 H SER A 40 0.438 8.609 2.757 1.00 0.00 H new ATOM 0 HA SER A 40 -0.492 9.913 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.975 11.358 1.542 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.443 9.686 1.781 1.00 0.00 H new ATOM 0 HG SER A 40 -2.404 10.881 3.772 1.00 0.00 H new ATOM 575 N ARG A 41 1.935 10.408 1.989 1.00 0.00 N ATOM 576 CA ARG A 41 3.086 11.234 2.312 1.00 0.00 C ATOM 577 C ARG A 41 3.439 12.138 1.129 1.00 0.00 C ATOM 578 O ARG A 41 3.640 13.340 1.300 1.00 0.00 O ATOM 579 CB ARG A 41 4.300 10.373 2.667 1.00 0.00 C ATOM 580 CG ARG A 41 5.131 11.027 3.773 1.00 0.00 C ATOM 581 CD ARG A 41 5.613 9.985 4.785 1.00 0.00 C ATOM 582 NE ARG A 41 6.979 10.321 5.245 1.00 0.00 N ATOM 583 CZ ARG A 41 7.250 11.222 6.199 1.00 0.00 C ATOM 584 NH1 ARG A 41 6.251 11.883 6.800 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.520 11.462 6.552 1.00 0.00 N ATOM 0 H ARG A 41 2.107 9.403 2.025 1.00 0.00 H new ATOM 0 HA ARG A 41 2.824 11.845 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.968 9.387 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.918 10.226 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.989 11.538 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.535 11.784 4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.932 9.950 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.607 8.994 4.330 1.00 0.00 H new ATOM 0 HE ARG A 41 7.763 9.836 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.284 11.700 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.458 12.569 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.280 10.959 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.727 12.148 7.278 1.00 0.00 H new ATOM 599 N ILE A 42 3.504 11.525 -0.044 1.00 0.00 N ATOM 600 CA ILE A 42 3.830 12.260 -1.254 1.00 0.00 C ATOM 601 C ILE A 42 3.062 11.657 -2.433 1.00 0.00 C ATOM 602 O ILE A 42 2.976 10.437 -2.564 1.00 0.00 O ATOM 603 CB ILE A 42 5.345 12.302 -1.465 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.031 11.141 -0.742 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.919 13.657 -1.046 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.529 9.794 -1.268 1.00 0.00 C ATOM 0 H ILE A 42 3.337 10.528 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 42 3.515 13.300 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 42 5.546 12.182 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.110 11.210 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.840 11.211 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.997 13.661 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.461 14.446 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.708 13.831 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.032 8.986 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.453 9.719 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.743 9.717 -2.334 1.00 0.00 H new ATOM 618 N PRO A 43 2.509 12.564 -3.282 1.00 0.00 N ATOM 619 CA PRO A 43 1.751 12.135 -4.445 1.00 0.00 C ATOM 620 C PRO A 43 2.681 11.620 -5.546 1.00 0.00 C ATOM 621 O PRO A 43 2.354 10.658 -6.239 1.00 0.00 O ATOM 622 CB PRO A 43 0.952 13.358 -4.867 1.00 0.00 C ATOM 623 CG PRO A 43 1.637 14.548 -4.216 1.00 0.00 C ATOM 624 CD PRO A 43 2.590 14.017 -3.158 1.00 0.00 C ATOM 0 HA PRO A 43 1.088 11.297 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.939 13.461 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.085 13.278 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.180 15.130 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.900 15.213 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.606 14.373 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.298 14.346 -2.161 1.00 0.00 H new ATOM 632 N GLY A 44 3.820 12.284 -5.672 1.00 0.00 N ATOM 633 CA GLY A 44 4.800 11.905 -6.677 1.00 0.00 C ATOM 634 C GLY A 44 4.867 10.384 -6.831 1.00 0.00 C ATOM 635 O GLY A 44 4.878 9.870 -7.948 1.00 0.00 O ATOM 0 H GLY A 44 4.087 13.082 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.540 12.360 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.781 12.289 -6.397 1.00 0.00 H new ATOM 639 N VAL A 45 4.910 9.707 -5.693 1.00 0.00 N ATOM 640 CA VAL A 45 4.975 8.256 -5.687 1.00 0.00 C ATOM 641 C VAL A 45 3.556 7.685 -5.684 1.00 0.00 C ATOM 642 O VAL A 45 2.589 8.419 -5.485 1.00 0.00 O ATOM 643 CB VAL A 45 5.816 7.775 -4.503 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.918 8.782 -4.167 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.935 7.498 -3.282 1.00 0.00 C ATOM 0 H VAL A 45 4.901 10.137 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 45 5.469 7.892 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 45 6.295 6.839 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.501 8.415 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.571 8.908 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.468 9.741 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.557 7.157 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.415 8.412 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.204 6.727 -3.528 1.00 0.00 H new ATOM 655 N PRO A 46 3.474 6.347 -5.913 1.00 0.00 N ATOM 656 CA PRO A 46 2.188 5.670 -5.939 1.00 0.00 C ATOM 657 C PRO A 46 1.632 5.497 -4.524 1.00 0.00 C ATOM 658 O PRO A 46 1.910 4.499 -3.861 1.00 0.00 O ATOM 659 CB PRO A 46 2.455 4.347 -6.638 1.00 0.00 C ATOM 660 CG PRO A 46 3.958 4.131 -6.563 1.00 0.00 C ATOM 661 CD PRO A 46 4.598 5.447 -6.153 1.00 0.00 C ATOM 0 HA PRO A 46 1.423 6.238 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.919 3.533 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.116 4.377 -7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.196 3.350 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.345 3.802 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.208 5.328 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.252 5.830 -6.936 1.00 0.00 H new ATOM 669 N TRP A 47 0.855 6.484 -4.104 1.00 0.00 N ATOM 670 CA TRP A 47 0.256 6.454 -2.780 1.00 0.00 C ATOM 671 C TRP A 47 0.047 4.989 -2.389 1.00 0.00 C ATOM 672 O TRP A 47 0.532 4.545 -1.350 1.00 0.00 O ATOM 673 CB TRP A 47 -1.036 7.272 -2.743 1.00 0.00 C ATOM 674 CG TRP A 47 -0.827 8.751 -2.409 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.268 9.496 -2.614 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.787 9.638 -1.798 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.084 10.794 -2.181 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.205 10.883 -1.669 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.104 9.397 -1.368 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.865 11.984 -1.112 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.750 10.508 -0.813 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.178 11.768 -0.677 1.00 0.00 C ATOM 0 H TRP A 47 0.626 7.310 -4.657 1.00 0.00 H new ATOM 0 HA TRP A 47 0.916 6.920 -2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.530 7.195 -3.711 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.710 6.835 -2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.179 9.128 -3.061 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.768 11.549 -2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.579 8.431 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.387 12.948 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.764 10.377 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.744 12.576 -0.238 1.00 0.00 H new ATOM 693 N CYS A 48 -0.675 4.279 -3.243 1.00 0.00 N ATOM 694 CA CYS A 48 -0.954 2.874 -3.000 1.00 0.00 C ATOM 695 C CYS A 48 0.148 2.044 -3.661 1.00 0.00 C ATOM 696 O CYS A 48 0.320 2.091 -4.878 1.00 0.00 O ATOM 697 CB CYS A 48 -2.345 2.479 -3.502 1.00 0.00 C ATOM 698 SG CYS A 48 -3.082 1.032 -2.657 1.00 0.00 S ATOM 0 H CYS A 48 -1.075 4.651 -4.104 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.958 2.681 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.014 3.331 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.284 2.267 -4.569 1.00 0.00 H new ATOM 703 N PHE A 49 0.867 1.304 -2.829 1.00 0.00 N ATOM 704 CA PHE A 49 1.948 0.465 -3.317 1.00 0.00 C ATOM 705 C PHE A 49 1.977 -0.875 -2.580 1.00 0.00 C ATOM 706 O PHE A 49 1.306 -1.043 -1.563 1.00 0.00 O ATOM 707 CB PHE A 49 3.254 1.214 -3.042 1.00 0.00 C ATOM 708 CG PHE A 49 3.358 1.785 -1.627 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.580 0.954 -0.573 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.229 3.123 -1.422 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.676 1.484 0.741 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.326 3.653 -0.108 1.00 0.00 C ATOM 713 CZ PHE A 49 3.547 2.822 0.945 1.00 0.00 C ATOM 0 H PHE A 49 0.722 1.268 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 49 1.811 0.262 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.092 0.537 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.352 2.029 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.683 -0.109 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.053 3.783 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.851 0.824 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.224 4.716 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.620 3.225 1.944 1.00 0.00 H new ATOM 723 N LYS A 50 2.762 -1.795 -3.122 1.00 0.00 N ATOM 724 CA LYS A 50 2.888 -3.115 -2.528 1.00 0.00 C ATOM 725 C LYS A 50 3.689 -3.011 -1.229 1.00 0.00 C ATOM 726 O LYS A 50 4.372 -2.015 -0.994 1.00 0.00 O ATOM 727 CB LYS A 50 3.478 -4.102 -3.537 1.00 0.00 C ATOM 728 CG LYS A 50 2.496 -4.371 -4.679 1.00 0.00 C ATOM 729 CD LYS A 50 2.514 -5.848 -5.081 1.00 0.00 C ATOM 730 CE LYS A 50 2.682 -6.002 -6.594 1.00 0.00 C ATOM 731 NZ LYS A 50 1.650 -6.912 -7.140 1.00 0.00 N ATOM 0 H LYS A 50 3.317 -1.652 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 50 1.906 -3.510 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.409 -3.703 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.723 -5.038 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.489 -4.086 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.755 -3.753 -5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.328 -6.359 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.587 -6.326 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.607 -5.027 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.675 -6.392 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.778 -7.006 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.740 -7.847 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.705 -6.524 -6.943 1.00 0.00 H new ATOM 745 N PRO A 51 3.577 -4.081 -0.397 1.00 0.00 N ATOM 746 CA PRO A 51 4.283 -4.120 0.872 1.00 0.00 C ATOM 747 C PRO A 51 5.773 -4.396 0.663 1.00 0.00 C ATOM 748 O PRO A 51 6.143 -5.390 0.041 1.00 0.00 O ATOM 749 CB PRO A 51 3.585 -5.205 1.677 1.00 0.00 C ATOM 750 CG PRO A 51 2.823 -6.047 0.668 1.00 0.00 C ATOM 751 CD PRO A 51 2.778 -5.278 -0.642 1.00 0.00 C ATOM 0 HA PRO A 51 4.251 -3.167 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.307 -5.810 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.909 -4.771 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.312 -7.011 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.814 -6.251 1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.189 -5.868 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.755 -5.022 -0.916 1.00 0.00 H new ATOM 759 N LEU A 52 6.589 -3.497 1.195 1.00 0.00 N ATOM 760 CA LEU A 52 8.031 -3.631 1.074 1.00 0.00 C ATOM 761 C LEU A 52 8.399 -5.115 1.036 1.00 0.00 C ATOM 762 O LEU A 52 7.867 -5.911 1.808 1.00 0.00 O ATOM 763 CB LEU A 52 8.736 -2.850 2.184 1.00 0.00 C ATOM 764 CG LEU A 52 10.203 -3.210 2.429 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.951 -2.046 3.082 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.322 -4.498 3.246 1.00 0.00 C ATOM 0 H LEU A 52 6.279 -2.673 1.711 1.00 0.00 H new ATOM 0 HA LEU A 52 8.378 -3.193 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.678 -1.788 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.186 -3.000 3.113 1.00 0.00 H new ATOM 0 HG LEU A 52 10.675 -3.396 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.991 -2.328 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.909 -1.175 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.486 -1.805 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.375 -4.731 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.829 -4.365 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.847 -5.317 2.706 1.00 0.00 H new ATOM 778 N GLN A 53 9.308 -5.444 0.129 1.00 0.00 N ATOM 779 CA GLN A 53 9.754 -6.819 -0.020 1.00 0.00 C ATOM 780 C GLN A 53 10.447 -7.293 1.259 1.00 0.00 C ATOM 781 O GLN A 53 11.673 -7.370 1.313 1.00 0.00 O ATOM 782 CB GLN A 53 10.677 -6.968 -1.231 1.00 0.00 C ATOM 783 CG GLN A 53 9.906 -7.486 -2.447 1.00 0.00 C ATOM 784 CD GLN A 53 9.706 -6.378 -3.483 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.109 -6.485 -4.629 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.064 -5.311 -3.017 1.00 0.00 N ATOM 0 H GLN A 53 9.748 -4.782 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 53 8.880 -7.448 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.132 -6.006 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.489 -7.654 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.448 -8.317 -2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.937 -7.872 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.753 -5.287 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.882 -4.517 -3.631 1.00 0.00 H new ATOM 795 N GLU A 54 9.631 -7.599 2.258 1.00 0.00 N ATOM 796 CA GLU A 54 10.150 -8.063 3.533 1.00 0.00 C ATOM 797 C GLU A 54 11.264 -9.089 3.310 1.00 0.00 C ATOM 798 O GLU A 54 11.030 -10.150 2.734 1.00 0.00 O ATOM 799 CB GLU A 54 9.033 -8.647 4.400 1.00 0.00 C ATOM 800 CG GLU A 54 8.800 -10.124 4.073 1.00 0.00 C ATOM 801 CD GLU A 54 7.508 -10.631 4.717 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.445 -10.432 4.089 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.612 -11.205 5.822 1.00 0.00 O ATOM 0 H GLU A 54 8.614 -7.534 2.210 1.00 0.00 H new ATOM 0 HA GLU A 54 10.569 -7.209 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.292 -8.541 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.112 -8.086 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.748 -10.257 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.644 -10.716 4.427 1.00 0.00 H new ATOM 810 N ALA A 55 12.452 -8.735 3.779 1.00 0.00 N ATOM 811 CA ALA A 55 13.603 -9.611 3.639 1.00 0.00 C ATOM 812 C ALA A 55 14.712 -9.144 4.583 1.00 0.00 C ATOM 813 O ALA A 55 15.757 -8.676 4.135 1.00 0.00 O ATOM 814 CB ALA A 55 14.053 -9.632 2.176 1.00 0.00 C ATOM 0 H ALA A 55 12.642 -7.854 4.256 1.00 0.00 H new ATOM 0 HA ALA A 55 13.344 -10.633 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.916 -10.289 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.239 -9.999 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.324 -8.623 1.864 1.00 0.00 H new ATOM 820 N GLU A 56 14.446 -9.289 5.873 1.00 0.00 N ATOM 821 CA GLU A 56 15.409 -8.888 6.885 1.00 0.00 C ATOM 822 C GLU A 56 15.074 -9.544 8.226 1.00 0.00 C ATOM 823 O GLU A 56 13.910 -9.812 8.517 1.00 0.00 O ATOM 824 CB GLU A 56 15.462 -7.364 7.019 1.00 0.00 C ATOM 825 CG GLU A 56 16.730 -6.801 6.374 1.00 0.00 C ATOM 826 CD GLU A 56 16.435 -5.493 5.636 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.602 -4.722 6.159 1.00 0.00 O ATOM 828 OE2 GLU A 56 17.050 -5.295 4.566 1.00 0.00 O ATOM 0 H GLU A 56 13.578 -9.678 6.241 1.00 0.00 H new ATOM 0 HA GLU A 56 16.397 -9.227 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.583 -6.923 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.432 -7.087 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.486 -6.628 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.143 -7.531 5.677 1.00 0.00 H new ATOM 835 N CYS A 57 16.117 -9.785 9.007 1.00 0.00 N ATOM 836 CA CYS A 57 15.949 -10.406 10.310 1.00 0.00 C ATOM 837 C CYS A 57 16.608 -9.508 11.359 1.00 0.00 C ATOM 838 O CYS A 57 15.928 -8.938 12.210 1.00 0.00 O ATOM 839 CB CYS A 57 16.515 -11.827 10.338 1.00 0.00 C ATOM 840 SG CYS A 57 15.806 -12.911 11.630 1.00 0.00 S ATOM 0 H CYS A 57 17.082 -9.561 8.762 1.00 0.00 H new ATOM 0 HA CYS A 57 14.887 -10.505 10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.348 -12.289 9.365 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.594 -11.770 10.483 1.00 0.00 H new ATOM 0 HG CYS A 57 16.355 -14.087 11.559 1.00 0.00 H new ATOM 845 N THR A 58 17.926 -9.409 11.262 1.00 0.00 N ATOM 846 CA THR A 58 18.686 -8.590 12.192 1.00 0.00 C ATOM 847 C THR A 58 18.463 -7.105 11.899 1.00 0.00 C ATOM 848 O THR A 58 17.907 -6.382 12.724 1.00 0.00 O ATOM 849 CB THR A 58 20.153 -9.014 12.105 1.00 0.00 C ATOM 850 OG1 THR A 58 20.185 -10.288 12.743 1.00 0.00 O ATOM 851 CG2 THR A 58 21.066 -8.142 12.969 1.00 0.00 C ATOM 0 H THR A 58 18.487 -9.882 10.554 1.00 0.00 H new ATOM 0 HA THR A 58 18.350 -8.740 13.218 1.00 0.00 H new ATOM 0 HB THR A 58 20.483 -8.969 11.067 1.00 0.00 H new ATOM 0 HG1 THR A 58 21.100 -10.638 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 58 22.096 -8.485 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.996 -7.105 12.640 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.757 -8.214 14.012 1.00 0.00 H new ATOM 859 N PHE A 59 18.909 -6.694 10.721 1.00 0.00 N ATOM 860 CA PHE A 59 18.766 -5.309 10.308 1.00 0.00 C ATOM 861 C PHE A 59 17.292 -4.933 10.151 1.00 0.00 C ATOM 862 O PHE A 59 16.542 -5.620 9.458 1.00 0.00 O ATOM 863 CB PHE A 59 19.463 -5.171 8.953 1.00 0.00 C ATOM 864 CG PHE A 59 20.987 -5.076 9.043 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.722 -6.184 9.329 1.00 0.00 C ATOM 866 CD2 PHE A 59 21.607 -3.883 8.837 1.00 0.00 C ATOM 867 CE1 PHE A 59 23.137 -6.095 9.412 1.00 0.00 C ATOM 868 CE2 PHE A 59 23.022 -3.795 8.920 1.00 0.00 C ATOM 869 CZ PHE A 59 23.757 -4.903 9.206 1.00 0.00 C ATOM 0 H PHE A 59 19.370 -7.297 10.039 1.00 0.00 H new ATOM 0 HA PHE A 59 19.203 -4.650 11.059 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.199 -6.027 8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 59 19.083 -4.282 8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.230 -7.131 9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 59 21.023 -3.003 8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 59 23.721 -6.975 9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 59 23.515 -2.848 8.756 1.00 0.00 H new ATOM 0 HZ PHE A 59 24.833 -4.836 9.269 1.00 0.00 H new TER 879 PHE A 59