USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 221 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 Set 1.1: A 4 ASN : amide:sc= 0 X(o=0.15,f=-0.16) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -105:sc= 0.152 (180deg=-0.115) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.00086) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.31) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.645 -0.321 1.526 1.00 0.00 N ATOM 17 CA GLY A 2 -7.195 -0.521 1.686 1.00 0.00 C ATOM 18 C GLY A 2 -6.823 -1.277 2.970 1.00 0.00 C ATOM 19 O GLY A 2 -7.517 -2.220 3.361 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.814 -1.071 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.700 0.450 1.688 1.00 0.00 H new ATOM 23 N ILE A 3 -5.727 -0.864 3.619 1.00 0.00 N ATOM 24 CA ILE A 3 -5.197 -1.453 4.865 1.00 0.00 C ATOM 25 C ILE A 3 -4.755 -0.362 5.865 1.00 0.00 C ATOM 26 O ILE A 3 -4.798 0.833 5.561 1.00 0.00 O ATOM 27 CB ILE A 3 -4.059 -2.467 4.560 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.785 -1.785 4.009 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.553 -3.597 3.636 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.664 -2.780 3.683 1.00 0.00 C ATOM 0 H ILE A 3 -5.162 -0.084 3.283 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.004 -2.007 5.345 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.773 -2.917 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.040 -1.226 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.421 -1.063 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.735 -4.291 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.373 -4.129 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.901 -3.171 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.798 -2.240 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.384 -3.322 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.012 -3.487 2.930 1.00 0.00 H new ATOM 41 N ASN A 4 -4.309 -0.758 7.063 1.00 0.00 N ATOM 42 CA ASN A 4 -3.873 0.149 8.132 1.00 0.00 C ATOM 43 C ASN A 4 -2.448 -0.187 8.614 1.00 0.00 C ATOM 44 O ASN A 4 -2.251 -0.877 9.617 1.00 0.00 O ATOM 45 CB ASN A 4 -4.931 0.173 9.251 1.00 0.00 C ATOM 46 CG ASN A 4 -4.668 1.307 10.226 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.877 2.471 9.914 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.176 1.024 11.411 1.00 0.00 N ATOM 0 H ASN A 4 -4.239 -1.742 7.322 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.799 1.166 7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.924 0.287 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.924 -0.778 9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.969 1.775 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.001 0.054 11.672 1.00 0.00 H new ATOM 54 N VAL A 5 -1.455 0.291 7.856 1.00 0.00 N ATOM 55 CA VAL A 5 -0.011 0.059 8.063 1.00 0.00 C ATOM 56 C VAL A 5 0.746 1.367 7.794 1.00 0.00 C ATOM 57 O VAL A 5 0.343 2.126 6.910 1.00 0.00 O ATOM 58 CB VAL A 5 0.508 -1.052 7.113 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.897 -1.548 7.530 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.399 -2.289 7.054 1.00 0.00 C ATOM 0 H VAL A 5 -1.639 0.878 7.042 1.00 0.00 H new ATOM 0 HA VAL A 5 0.155 -0.265 9.090 1.00 0.00 H new ATOM 0 HB VAL A 5 0.530 -0.574 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.228 -2.326 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.602 -0.717 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.850 -1.954 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.029 -3.022 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.482 -2.727 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.389 -1.998 6.701 1.00 0.00 H new ATOM 70 N LYS A 6 1.832 1.657 8.523 1.00 0.00 N ATOM 71 CA LYS A 6 2.706 2.818 8.241 1.00 0.00 C ATOM 72 C LYS A 6 3.568 2.609 6.979 1.00 0.00 C ATOM 73 O LYS A 6 3.681 1.495 6.465 1.00 0.00 O ATOM 74 CB LYS A 6 3.592 3.143 9.468 1.00 0.00 C ATOM 75 CG LYS A 6 3.547 4.639 9.845 1.00 0.00 C ATOM 76 CD LYS A 6 2.563 4.952 10.990 1.00 0.00 C ATOM 77 CE LYS A 6 3.258 5.164 12.347 1.00 0.00 C ATOM 78 NZ LYS A 6 3.987 3.960 12.830 1.00 0.00 N ATOM 0 H LYS A 6 2.134 1.100 9.323 1.00 0.00 H new ATOM 0 HA LYS A 6 2.056 3.671 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.263 2.546 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.622 2.855 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.546 4.963 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.267 5.219 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.994 5.847 10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.848 4.134 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.959 5.995 12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.512 5.450 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.432 4.168 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.319 3.171 12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.720 3.698 12.141 1.00 0.00 H new ATOM 88 N CYS A 7 4.217 3.674 6.507 1.00 0.00 N ATOM 89 CA CYS A 7 5.175 3.651 5.393 1.00 0.00 C ATOM 90 C CYS A 7 6.248 4.753 5.528 1.00 0.00 C ATOM 91 O CYS A 7 6.049 5.742 6.240 1.00 0.00 O ATOM 92 CB CYS A 7 4.400 3.774 4.067 1.00 0.00 C ATOM 93 SG CYS A 7 3.173 5.111 3.986 1.00 0.00 S ATOM 0 H CYS A 7 4.089 4.607 6.899 1.00 0.00 H new ATOM 0 HA CYS A 7 5.714 2.704 5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.119 3.918 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.892 2.829 3.877 1.00 0.00 H new ATOM 97 N LYS A 8 7.382 4.584 4.823 1.00 0.00 N ATOM 98 CA LYS A 8 8.550 5.496 4.863 1.00 0.00 C ATOM 99 C LYS A 8 8.863 6.175 3.513 1.00 0.00 C ATOM 100 O LYS A 8 9.537 7.204 3.497 1.00 0.00 O ATOM 101 CB LYS A 8 9.774 4.713 5.388 1.00 0.00 C ATOM 102 CG LYS A 8 10.873 5.599 6.011 1.00 0.00 C ATOM 103 CD LYS A 8 12.272 5.231 5.492 1.00 0.00 C ATOM 104 CE LYS A 8 13.357 6.119 6.122 1.00 0.00 C ATOM 105 NZ LYS A 8 14.272 5.355 7.012 1.00 0.00 N ATOM 0 H LYS A 8 7.519 3.793 4.194 1.00 0.00 H new ATOM 0 HA LYS A 8 8.301 6.315 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.438 3.993 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.206 4.142 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.666 6.645 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.850 5.496 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.481 4.185 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.298 5.336 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.937 6.594 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.883 6.917 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.985 5.998 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.725 4.922 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.747 4.610 6.464 1.00 0.00 H new ATOM 115 N HIS A 9 8.358 5.632 2.398 1.00 0.00 N ATOM 116 CA HIS A 9 8.540 6.176 1.041 1.00 0.00 C ATOM 117 C HIS A 9 7.316 5.922 0.143 1.00 0.00 C ATOM 118 O HIS A 9 6.479 6.811 -0.007 1.00 0.00 O ATOM 119 CB HIS A 9 9.832 5.606 0.415 1.00 0.00 C ATOM 120 CG HIS A 9 11.069 6.386 0.772 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.347 7.678 0.382 1.00 0.00 N ATOM 122 CD2 HIS A 9 12.143 5.944 1.497 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.554 8.013 0.867 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.083 6.983 1.556 1.00 0.00 N ATOM 0 H HIS A 9 7.797 4.780 2.412 1.00 0.00 H new ATOM 0 HA HIS A 9 8.639 7.258 1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.958 4.573 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.724 5.589 -0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.248 4.967 1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.032 8.971 0.725 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.988 6.963 2.027 1.00 0.00 H new ATOM 132 N SER A 10 7.195 4.722 -0.446 1.00 0.00 N ATOM 133 CA SER A 10 6.064 4.291 -1.295 1.00 0.00 C ATOM 134 C SER A 10 6.161 2.803 -1.661 1.00 0.00 C ATOM 135 O SER A 10 5.223 2.045 -1.407 1.00 0.00 O ATOM 136 CB SER A 10 5.922 5.197 -2.542 1.00 0.00 C ATOM 137 OG SER A 10 6.182 4.538 -3.770 1.00 0.00 O ATOM 0 H SER A 10 7.905 3.997 -0.343 1.00 0.00 H new ATOM 0 HA SER A 10 5.150 4.406 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.912 5.605 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.604 6.041 -2.444 1.00 0.00 H new ATOM 0 HG SER A 10 6.072 5.170 -4.510 1.00 0.00 H new ATOM 142 N ARG A 11 7.333 2.349 -2.133 1.00 0.00 N ATOM 143 CA ARG A 11 7.606 0.941 -2.489 1.00 0.00 C ATOM 144 C ARG A 11 7.428 -0.022 -1.306 1.00 0.00 C ATOM 145 O ARG A 11 7.015 -1.163 -1.491 1.00 0.00 O ATOM 146 CB ARG A 11 9.023 0.835 -3.087 1.00 0.00 C ATOM 147 CG ARG A 11 9.172 -0.393 -4.000 1.00 0.00 C ATOM 148 CD ARG A 11 10.643 -0.779 -4.194 1.00 0.00 C ATOM 149 NE ARG A 11 10.763 -2.017 -4.990 1.00 0.00 N ATOM 150 CZ ARG A 11 11.872 -2.682 -5.264 1.00 0.00 C ATOM 151 NH1 ARG A 11 13.047 -2.257 -4.895 1.00 0.00 N ATOM 152 NH2 ARG A 11 11.816 -3.807 -5.917 1.00 0.00 N ATOM 0 H ARG A 11 8.136 2.960 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 11 6.869 0.635 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.245 1.738 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.754 0.778 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.628 -1.234 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.720 -0.183 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.173 0.032 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.117 -0.919 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 11 9.897 -2.400 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.133 -1.383 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.880 -2.798 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.915 -4.177 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.673 -4.318 -6.127 1.00 0.00 H new ATOM 163 N GLN A 12 7.669 0.452 -0.080 1.00 0.00 N ATOM 164 CA GLN A 12 7.479 -0.336 1.147 1.00 0.00 C ATOM 165 C GLN A 12 6.002 -0.668 1.439 1.00 0.00 C ATOM 166 O GLN A 12 5.733 -1.600 2.194 1.00 0.00 O ATOM 167 CB GLN A 12 8.112 0.349 2.376 1.00 0.00 C ATOM 168 CG GLN A 12 9.430 1.106 2.110 1.00 0.00 C ATOM 169 CD GLN A 12 10.270 1.394 3.360 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.465 1.646 3.278 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.712 1.393 4.556 1.00 0.00 N ATOM 0 H GLN A 12 8.004 1.400 0.093 1.00 0.00 H new ATOM 0 HA GLN A 12 7.995 -1.278 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.388 1.050 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.296 -0.409 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.032 0.525 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.197 2.052 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.718 1.187 4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.275 1.599 5.381 1.00 0.00 H new ATOM 178 N CYS A 13 5.048 0.063 0.844 1.00 0.00 N ATOM 179 CA CYS A 13 3.608 -0.218 0.923 1.00 0.00 C ATOM 180 C CYS A 13 3.145 -1.243 -0.135 1.00 0.00 C ATOM 181 O CYS A 13 2.193 -1.985 0.111 1.00 0.00 O ATOM 182 CB CYS A 13 2.856 1.117 0.809 1.00 0.00 C ATOM 183 SG CYS A 13 1.051 1.031 0.704 1.00 0.00 S ATOM 0 H CYS A 13 5.262 0.886 0.281 1.00 0.00 H new ATOM 0 HA CYS A 13 3.383 -0.685 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.117 1.729 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.223 1.639 -0.074 1.00 0.00 H new ATOM 187 N LEU A 14 3.843 -1.376 -1.274 1.00 0.00 N ATOM 188 CA LEU A 14 3.546 -2.434 -2.254 1.00 0.00 C ATOM 189 C LEU A 14 3.668 -3.847 -1.661 1.00 0.00 C ATOM 190 O LEU A 14 2.819 -4.684 -1.964 1.00 0.00 O ATOM 191 CB LEU A 14 4.420 -2.297 -3.520 1.00 0.00 C ATOM 192 CG LEU A 14 3.835 -1.380 -4.610 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.848 -1.222 -5.745 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.553 -1.958 -5.222 1.00 0.00 C ATOM 0 H LEU A 14 4.616 -0.765 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 14 2.503 -2.296 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.399 -1.915 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.578 -3.288 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 14 3.608 -0.426 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.433 -0.573 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.765 -0.781 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.069 -2.199 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.176 -1.278 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.770 -2.926 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.801 -2.081 -4.442 1.00 0.00 H new ATOM 205 N LYS A 15 4.651 -4.110 -0.782 1.00 0.00 N ATOM 206 CA LYS A 15 4.783 -5.406 -0.083 1.00 0.00 C ATOM 207 C LYS A 15 3.497 -5.808 0.671 1.00 0.00 C ATOM 208 O LYS A 15 2.894 -6.813 0.285 1.00 0.00 O ATOM 209 CB LYS A 15 6.026 -5.449 0.838 1.00 0.00 C ATOM 210 CG LYS A 15 7.180 -6.293 0.273 1.00 0.00 C ATOM 211 CD LYS A 15 8.065 -5.553 -0.738 1.00 0.00 C ATOM 212 CE LYS A 15 9.064 -6.553 -1.342 1.00 0.00 C ATOM 213 NZ LYS A 15 10.344 -5.909 -1.735 1.00 0.00 N ATOM 0 H LYS A 15 5.375 -3.435 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 15 4.934 -6.155 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.379 -4.432 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.735 -5.850 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.802 -6.637 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.766 -7.181 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.453 -5.110 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.596 -4.737 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.265 -7.343 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.616 -7.027 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.984 -6.624 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.158 -5.173 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.787 -5.479 -0.898 1.00 0.00 H new ATOM 223 N PRO A 16 3.023 -5.054 1.687 1.00 0.00 N ATOM 224 CA PRO A 16 1.811 -5.410 2.421 1.00 0.00 C ATOM 225 C PRO A 16 0.540 -5.318 1.563 1.00 0.00 C ATOM 226 O PRO A 16 -0.335 -6.164 1.728 1.00 0.00 O ATOM 227 CB PRO A 16 1.777 -4.493 3.650 1.00 0.00 C ATOM 228 CG PRO A 16 2.598 -3.281 3.228 1.00 0.00 C ATOM 229 CD PRO A 16 3.647 -3.893 2.302 1.00 0.00 C ATOM 0 HA PRO A 16 1.834 -6.457 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.756 -4.213 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.207 -4.981 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.988 -2.538 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.054 -2.783 4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.963 -3.175 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.538 -4.181 2.860 1.00 0.00 H new ATOM 234 N CYS A 17 0.432 -4.385 0.606 1.00 0.00 N ATOM 235 CA CYS A 17 -0.718 -4.337 -0.310 1.00 0.00 C ATOM 236 C CYS A 17 -0.855 -5.598 -1.176 1.00 0.00 C ATOM 237 O CYS A 17 -1.937 -6.187 -1.246 1.00 0.00 O ATOM 238 CB CYS A 17 -0.631 -3.111 -1.228 1.00 0.00 C ATOM 239 SG CYS A 17 -1.011 -1.527 -0.447 1.00 0.00 S ATOM 0 H CYS A 17 1.126 -3.654 0.446 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.601 -4.273 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.376 -3.060 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.313 -3.257 -2.065 1.00 0.00 H new ATOM 243 N LYS A 18 0.230 -6.032 -1.832 1.00 0.00 N ATOM 244 CA LYS A 18 0.204 -7.205 -2.717 1.00 0.00 C ATOM 245 C LYS A 18 -0.010 -8.497 -1.926 1.00 0.00 C ATOM 246 O LYS A 18 -0.789 -9.352 -2.344 1.00 0.00 O ATOM 247 CB LYS A 18 1.482 -7.240 -3.575 1.00 0.00 C ATOM 248 CG LYS A 18 1.241 -7.936 -4.923 1.00 0.00 C ATOM 249 CD LYS A 18 2.490 -7.849 -5.818 1.00 0.00 C ATOM 250 CE LYS A 18 2.203 -8.258 -7.271 1.00 0.00 C ATOM 251 NZ LYS A 18 1.966 -9.717 -7.423 1.00 0.00 N ATOM 0 H LYS A 18 1.144 -5.584 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.647 -7.122 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.832 -6.222 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.271 -7.761 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.981 -8.981 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.393 -7.474 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.875 -6.829 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.270 -8.492 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.330 -7.713 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.044 -7.964 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.778 -9.936 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.807 -10.240 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.147 -9.998 -6.847 1.00 0.00 H new ATOM 261 N ASP A 19 0.611 -8.614 -0.748 1.00 0.00 N ATOM 262 CA ASP A 19 0.449 -9.775 0.136 1.00 0.00 C ATOM 263 C ASP A 19 -0.941 -9.846 0.810 1.00 0.00 C ATOM 264 O ASP A 19 -1.426 -10.940 1.105 1.00 0.00 O ATOM 265 CB ASP A 19 1.585 -9.801 1.171 1.00 0.00 C ATOM 266 CG ASP A 19 1.944 -11.239 1.580 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.543 -11.968 0.751 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.659 -11.643 2.733 1.00 0.00 O ATOM 0 H ASP A 19 1.243 -7.904 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 19 0.510 -10.668 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.466 -9.309 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.287 -9.235 2.053 1.00 0.00 H new ATOM 272 N ALA A 20 -1.622 -8.705 0.996 1.00 0.00 N ATOM 273 CA ALA A 20 -3.024 -8.631 1.435 1.00 0.00 C ATOM 274 C ALA A 20 -4.044 -9.094 0.368 1.00 0.00 C ATOM 275 O ALA A 20 -5.202 -9.360 0.703 1.00 0.00 O ATOM 276 CB ALA A 20 -3.335 -7.191 1.873 1.00 0.00 C ATOM 0 H ALA A 20 -1.204 -7.787 0.842 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.132 -9.326 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.373 -7.126 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.677 -6.911 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.176 -6.513 1.034 1.00 0.00 H new ATOM 282 N GLY A 21 -3.637 -9.188 -0.905 1.00 0.00 N ATOM 283 CA GLY A 21 -4.488 -9.600 -2.032 1.00 0.00 C ATOM 284 C GLY A 21 -5.035 -8.444 -2.886 1.00 0.00 C ATOM 285 O GLY A 21 -5.783 -8.690 -3.836 1.00 0.00 O ATOM 0 H GLY A 21 -2.681 -8.974 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.916 -10.269 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.329 -10.174 -1.643 1.00 0.00 H new ATOM 289 N MET A 22 -4.685 -7.192 -2.568 1.00 0.00 N ATOM 290 CA MET A 22 -5.051 -5.997 -3.347 1.00 0.00 C ATOM 291 C MET A 22 -4.179 -5.838 -4.608 1.00 0.00 C ATOM 292 O MET A 22 -3.142 -6.497 -4.755 1.00 0.00 O ATOM 293 CB MET A 22 -4.977 -4.746 -2.448 1.00 0.00 C ATOM 294 CG MET A 22 -6.234 -4.594 -1.579 1.00 0.00 C ATOM 295 SD MET A 22 -6.392 -5.765 -0.200 1.00 0.00 S ATOM 296 CE MET A 22 -8.187 -5.687 0.052 1.00 0.00 C ATOM 0 H MET A 22 -4.126 -6.974 -1.743 1.00 0.00 H new ATOM 0 HA MET A 22 -6.076 -6.119 -3.696 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.098 -4.810 -1.807 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.855 -3.859 -3.069 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.252 -3.582 -1.175 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.110 -4.697 -2.220 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.469 -6.350 0.870 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.476 -4.665 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.696 -5.999 -0.860 1.00 0.00 H new ATOM 304 N ARG A 23 -4.595 -4.956 -5.531 1.00 0.00 N ATOM 305 CA ARG A 23 -3.906 -4.699 -6.809 1.00 0.00 C ATOM 306 C ARG A 23 -2.872 -3.578 -6.684 1.00 0.00 C ATOM 307 O ARG A 23 -1.670 -3.833 -6.766 1.00 0.00 O ATOM 308 CB ARG A 23 -4.958 -4.412 -7.900 1.00 0.00 C ATOM 309 CG ARG A 23 -4.326 -3.962 -9.232 1.00 0.00 C ATOM 310 CD ARG A 23 -5.329 -3.966 -10.390 1.00 0.00 C ATOM 311 NE ARG A 23 -5.604 -5.341 -10.849 1.00 0.00 N ATOM 312 CZ ARG A 23 -6.212 -5.695 -11.967 1.00 0.00 C ATOM 313 NH1 ARG A 23 -6.731 -4.824 -12.783 1.00 0.00 N ATOM 314 NH2 ARG A 23 -6.298 -6.953 -12.292 1.00 0.00 N ATOM 0 H ARG A 23 -5.435 -4.390 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.342 -5.586 -7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.553 -5.309 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.640 -3.639 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.916 -2.959 -9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.493 -4.621 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.258 -3.493 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.937 -3.375 -11.217 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.292 -6.097 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.676 -3.828 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.193 -5.137 -13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.896 -7.666 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.768 -7.226 -13.155 1.00 0.00 H new ATOM 325 N PHE A 24 -3.339 -2.346 -6.491 1.00 0.00 N ATOM 326 CA PHE A 24 -2.487 -1.166 -6.320 1.00 0.00 C ATOM 327 C PHE A 24 -1.957 -1.068 -4.882 1.00 0.00 C ATOM 328 O PHE A 24 -2.538 -1.632 -3.950 1.00 0.00 O ATOM 329 CB PHE A 24 -3.288 0.090 -6.695 1.00 0.00 C ATOM 330 CG PHE A 24 -3.241 0.451 -8.167 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.237 1.316 -8.643 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.206 -0.054 -9.060 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.195 1.673 -10.002 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.161 0.298 -10.422 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.156 1.162 -10.892 1.00 0.00 C ATOM 0 H PHE A 24 -4.336 -2.134 -6.448 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.622 -1.253 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.328 -0.057 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.911 0.932 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.496 1.707 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.982 -0.713 -8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.425 2.339 -10.362 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.898 -0.095 -11.106 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.122 1.433 -11.937 1.00 0.00 H new ATOM 344 N GLY A 25 -0.878 -0.305 -4.701 1.00 0.00 N ATOM 345 CA GLY A 25 -0.307 0.003 -3.391 1.00 0.00 C ATOM 346 C GLY A 25 0.628 1.211 -3.433 1.00 0.00 C ATOM 347 O GLY A 25 1.536 1.254 -4.267 1.00 0.00 O ATOM 0 H GLY A 25 -0.369 0.123 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.113 0.195 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.241 -0.865 -3.023 1.00 0.00 H new ATOM 351 N LYS A 26 0.412 2.193 -2.549 1.00 0.00 N ATOM 352 CA LYS A 26 1.255 3.396 -2.410 1.00 0.00 C ATOM 353 C LYS A 26 1.089 4.063 -1.043 1.00 0.00 C ATOM 354 O LYS A 26 0.037 3.978 -0.412 1.00 0.00 O ATOM 355 CB LYS A 26 0.942 4.390 -3.559 1.00 0.00 C ATOM 356 CG LYS A 26 2.195 4.664 -4.412 1.00 0.00 C ATOM 357 CD LYS A 26 1.878 5.320 -5.769 1.00 0.00 C ATOM 358 CE LYS A 26 1.804 6.854 -5.737 1.00 0.00 C ATOM 359 NZ LYS A 26 3.156 7.479 -5.732 1.00 0.00 N ATOM 0 H LYS A 26 -0.370 2.177 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 26 2.298 3.087 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.151 3.984 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.570 5.326 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.872 5.310 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.721 3.725 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.640 5.021 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.927 4.931 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.244 7.208 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.255 7.172 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.060 8.514 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.682 7.162 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.672 7.197 -6.590 1.00 0.00 H new ATOM 369 N CYS A 27 2.140 4.745 -0.593 1.00 0.00 N ATOM 370 CA CYS A 27 2.122 5.562 0.621 1.00 0.00 C ATOM 371 C CYS A 27 1.376 6.884 0.341 1.00 0.00 C ATOM 372 O CYS A 27 1.784 7.658 -0.528 1.00 0.00 O ATOM 373 CB CYS A 27 3.578 5.785 1.055 1.00 0.00 C ATOM 374 SG CYS A 27 3.887 6.506 2.690 1.00 0.00 S ATOM 0 H CYS A 27 3.043 4.746 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 27 1.590 5.067 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.088 4.823 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.051 6.428 0.313 1.00 0.00 H new ATOM 378 N THR A 28 0.280 7.138 1.059 1.00 0.00 N ATOM 379 CA THR A 28 -0.542 8.360 0.967 1.00 0.00 C ATOM 380 C THR A 28 -0.986 8.790 2.365 1.00 0.00 C ATOM 381 O THR A 28 -1.172 7.947 3.241 1.00 0.00 O ATOM 382 CB THR A 28 -1.761 8.143 0.048 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.231 9.400 -0.389 1.00 0.00 O ATOM 384 CG2 THR A 28 -2.944 7.427 0.707 1.00 0.00 C ATOM 0 H THR A 28 -0.078 6.477 1.748 1.00 0.00 H new ATOM 0 HA THR A 28 0.063 9.153 0.527 1.00 0.00 H new ATOM 0 HB THR A 28 -1.405 7.506 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.006 9.274 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.753 7.320 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.629 6.441 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.294 8.010 1.559 1.00 0.00 H new ATOM 392 N ASN A 29 -1.156 10.092 2.613 1.00 0.00 N ATOM 393 CA ASN A 29 -1.518 10.627 3.939 1.00 0.00 C ATOM 394 C ASN A 29 -0.606 10.117 5.097 1.00 0.00 C ATOM 395 O ASN A 29 -1.046 9.977 6.241 1.00 0.00 O ATOM 396 CB ASN A 29 -3.027 10.351 4.142 1.00 0.00 C ATOM 397 CG ASN A 29 -3.636 11.088 5.325 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.382 12.262 5.563 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.482 10.433 6.090 1.00 0.00 N ATOM 0 H ASN A 29 -1.047 10.812 1.899 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.338 11.702 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.563 10.634 3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.175 9.280 4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.925 10.903 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.695 9.455 5.894 1.00 0.00 H new ATOM 405 N GLY A 30 0.659 9.782 4.799 1.00 0.00 N ATOM 406 CA GLY A 30 1.622 9.198 5.750 1.00 0.00 C ATOM 407 C GLY A 30 1.347 7.736 6.149 1.00 0.00 C ATOM 408 O GLY A 30 1.855 7.275 7.175 1.00 0.00 O ATOM 0 H GLY A 30 1.052 9.912 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.619 9.257 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.632 9.808 6.653 1.00 0.00 H new ATOM 412 N LYS A 31 0.541 7.008 5.364 1.00 0.00 N ATOM 413 CA LYS A 31 0.062 5.642 5.638 1.00 0.00 C ATOM 414 C LYS A 31 -0.019 4.812 4.353 1.00 0.00 C ATOM 415 O LYS A 31 -0.089 5.347 3.247 1.00 0.00 O ATOM 416 CB LYS A 31 -1.329 5.737 6.307 1.00 0.00 C ATOM 417 CG LYS A 31 -1.424 5.020 7.670 1.00 0.00 C ATOM 418 CD LYS A 31 -2.491 3.916 7.674 1.00 0.00 C ATOM 419 CE LYS A 31 -3.904 4.500 7.503 1.00 0.00 C ATOM 420 NZ LYS A 31 -4.746 3.695 6.577 1.00 0.00 N ATOM 0 H LYS A 31 0.187 7.371 4.479 1.00 0.00 H new ATOM 0 HA LYS A 31 0.766 5.141 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.584 6.788 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.074 5.313 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.455 4.587 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.656 5.749 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.288 3.209 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.437 3.359 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.391 4.555 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.829 5.520 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.831 4.190 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.305 2.765 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.691 3.566 6.991 1.00 0.00 H new ATOM 430 N CYS A 32 -0.010 3.490 4.473 1.00 0.00 N ATOM 431 CA CYS A 32 -0.175 2.611 3.322 1.00 0.00 C ATOM 432 C CYS A 32 -1.636 2.616 2.832 1.00 0.00 C ATOM 433 O CYS A 32 -2.574 2.546 3.632 1.00 0.00 O ATOM 434 CB CYS A 32 0.324 1.212 3.702 1.00 0.00 C ATOM 435 SG CYS A 32 0.416 0.010 2.350 1.00 0.00 S ATOM 0 H CYS A 32 0.110 3.001 5.360 1.00 0.00 H new ATOM 0 HA CYS A 32 0.420 2.969 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.316 1.309 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.332 0.811 4.475 1.00 0.00 H new ATOM 439 N HIS A 33 -1.819 2.683 1.514 1.00 0.00 N ATOM 440 CA HIS A 33 -3.104 2.654 0.814 1.00 0.00 C ATOM 441 C HIS A 33 -3.030 1.644 -0.331 1.00 0.00 C ATOM 442 O HIS A 33 -2.061 1.624 -1.091 1.00 0.00 O ATOM 443 CB HIS A 33 -3.433 4.068 0.296 1.00 0.00 C ATOM 444 CG HIS A 33 -4.199 4.133 -1.007 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.529 3.835 -1.216 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.676 4.495 -2.221 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.799 4.020 -2.521 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.698 4.427 -3.177 1.00 0.00 N ATOM 0 H HIS A 33 -1.032 2.763 0.870 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.900 2.345 1.492 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.010 4.589 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.499 4.616 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.652 4.783 -2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.765 3.863 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.622 4.643 -4.171 1.00 0.00 H new ATOM 456 N CYS A 34 -4.087 0.845 -0.463 1.00 0.00 N ATOM 457 CA CYS A 34 -4.268 -0.157 -1.509 1.00 0.00 C ATOM 458 C CYS A 34 -5.693 -0.057 -2.080 1.00 0.00 C ATOM 459 O CYS A 34 -6.581 0.527 -1.450 1.00 0.00 O ATOM 460 CB CYS A 34 -4.046 -1.567 -0.932 1.00 0.00 C ATOM 461 SG CYS A 34 -2.836 -1.787 0.398 1.00 0.00 S ATOM 0 H CYS A 34 -4.874 0.881 0.185 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.543 0.024 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.007 -1.929 -0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.753 -2.218 -1.756 1.00 0.00 H new ATOM 465 N THR A 35 -5.940 -0.698 -3.221 1.00 0.00 N ATOM 466 CA THR A 35 -7.264 -0.752 -3.872 1.00 0.00 C ATOM 467 C THR A 35 -7.489 -2.107 -4.559 1.00 0.00 C ATOM 468 O THR A 35 -6.517 -2.799 -4.891 1.00 0.00 O ATOM 469 CB THR A 35 -7.476 0.407 -4.881 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.266 0.992 -5.311 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.299 1.544 -4.272 1.00 0.00 C ATOM 0 H THR A 35 -5.219 -1.205 -3.734 1.00 0.00 H new ATOM 0 HA THR A 35 -8.004 -0.633 -3.080 1.00 0.00 H new ATOM 0 HB THR A 35 -7.992 -0.057 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.459 1.714 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.426 2.337 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.277 1.166 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.781 1.940 -3.398 1.00 0.00 H new ATOM 479 N PRO A 36 -8.757 -2.527 -4.754 1.00 0.00 N ATOM 480 CA PRO A 36 -9.095 -3.814 -5.361 1.00 0.00 C ATOM 481 C PRO A 36 -8.755 -3.863 -6.863 1.00 0.00 C ATOM 482 O PRO A 36 -8.388 -2.855 -7.478 1.00 0.00 O ATOM 483 CB PRO A 36 -10.597 -3.997 -5.100 1.00 0.00 C ATOM 484 CG PRO A 36 -11.125 -2.568 -5.058 1.00 0.00 C ATOM 485 CD PRO A 36 -9.978 -1.805 -4.405 1.00 0.00 C ATOM 0 HA PRO A 36 -8.510 -4.625 -4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.074 -4.579 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.781 -4.521 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.347 -2.189 -6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.044 -2.493 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.939 -0.777 -4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.107 -1.759 -3.324 1.00 0.00 H new ATOM 490 N LYS A 37 -8.887 -5.058 -7.452 1.00 0.00 N ATOM 491 CA LYS A 37 -8.741 -5.299 -8.900 1.00 0.00 C ATOM 492 C LYS A 37 -9.705 -4.453 -9.752 1.00 0.00 C ATOM 493 O LYS A 37 -9.285 -4.007 -10.843 1.00 0.00 O ATOM 494 CB LYS A 37 -8.908 -6.795 -9.211 1.00 0.00 C ATOM 495 CG LYS A 37 -7.837 -7.677 -8.549 1.00 0.00 C ATOM 496 CD LYS A 37 -7.918 -9.106 -9.100 1.00 0.00 C ATOM 497 CE LYS A 37 -6.849 -10.003 -8.465 1.00 0.00 C ATOM 498 NZ LYS A 37 -6.741 -11.303 -9.179 1.00 0.00 N ATOM 0 H LYS A 37 -9.103 -5.905 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.734 -4.984 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.893 -7.120 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.872 -6.941 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.847 -7.262 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.980 -7.687 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.907 -9.519 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.788 -9.090 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.885 -9.494 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.095 -10.180 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.010 -11.888 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.655 -11.798 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.483 -11.133 -10.172 1.00 0.00 H new