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 Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.159 X(o=-0.16,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+ 163:sc= 0 (180deg=-0.124) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00295 X(o=-0.0029,f=-0.0029) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.107 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.621 -0.350 1.469 1.00 0.00 N ATOM 17 CA GLY A 2 -7.183 -0.558 1.687 1.00 0.00 C ATOM 18 C GLY A 2 -6.867 -1.219 3.037 1.00 0.00 C ATOM 19 O GLY A 2 -7.636 -2.051 3.523 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.786 -1.179 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.671 0.402 1.631 1.00 0.00 H new ATOM 23 N ILE A 3 -5.727 -0.854 3.632 1.00 0.00 N ATOM 24 CA ILE A 3 -5.198 -1.413 4.896 1.00 0.00 C ATOM 25 C ILE A 3 -4.750 -0.298 5.863 1.00 0.00 C ATOM 26 O ILE A 3 -4.800 0.884 5.517 1.00 0.00 O ATOM 27 CB ILE A 3 -4.074 -2.444 4.613 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.793 -1.786 4.047 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.590 -3.576 3.702 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.679 -2.795 3.734 1.00 0.00 C ATOM 0 H ILE A 3 -5.120 -0.135 3.238 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.004 -1.948 5.398 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.788 -2.883 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.045 -1.240 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.421 -1.055 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.786 -4.288 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.421 -4.086 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.928 -3.155 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.810 -2.267 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.401 -3.324 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.034 -3.511 2.993 1.00 0.00 H new ATOM 41 N ASN A 4 -4.299 -0.657 7.070 1.00 0.00 N ATOM 42 CA ASN A 4 -3.843 0.287 8.104 1.00 0.00 C ATOM 43 C ASN A 4 -2.416 -0.058 8.573 1.00 0.00 C ATOM 44 O ASN A 4 -2.226 -0.762 9.568 1.00 0.00 O ATOM 45 CB ASN A 4 -4.881 0.349 9.242 1.00 0.00 C ATOM 46 CG ASN A 4 -4.559 1.454 10.238 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.665 2.636 9.938 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.145 1.126 11.441 1.00 0.00 N ATOM 0 H ASN A 4 -4.238 -1.632 7.364 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.773 1.293 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.873 0.516 8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.911 -0.610 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.915 1.854 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.054 0.143 11.699 1.00 0.00 H new ATOM 54 N VAL A 5 -1.414 0.405 7.818 1.00 0.00 N ATOM 55 CA VAL A 5 0.023 0.118 8.027 1.00 0.00 C ATOM 56 C VAL A 5 0.826 1.399 7.778 1.00 0.00 C ATOM 57 O VAL A 5 0.449 2.198 6.918 1.00 0.00 O ATOM 58 CB VAL A 5 0.528 -1.012 7.093 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.912 -1.531 7.512 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.404 -2.232 7.066 1.00 0.00 C ATOM 0 H VAL A 5 -1.579 1.012 7.015 1.00 0.00 H new ATOM 0 HA VAL A 5 0.160 -0.223 9.053 1.00 0.00 H new ATOM 0 HB VAL A 5 0.565 -0.548 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.226 -2.321 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.633 -0.714 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.860 -1.926 8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.005 -2.987 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.489 -2.647 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.390 -1.929 6.714 1.00 0.00 H new ATOM 70 N LYS A 6 1.928 1.623 8.503 1.00 0.00 N ATOM 71 CA LYS A 6 2.828 2.771 8.265 1.00 0.00 C ATOM 72 C LYS A 6 3.746 2.564 7.048 1.00 0.00 C ATOM 73 O LYS A 6 3.970 1.434 6.611 1.00 0.00 O ATOM 74 CB LYS A 6 3.610 3.095 9.559 1.00 0.00 C ATOM 75 CG LYS A 6 3.438 4.570 9.964 1.00 0.00 C ATOM 76 CD LYS A 6 3.900 4.875 11.400 1.00 0.00 C ATOM 77 CE LYS A 6 5.398 5.168 11.513 1.00 0.00 C ATOM 78 NZ LYS A 6 5.784 5.464 12.919 1.00 0.00 N ATOM 0 H LYS A 6 2.225 1.020 9.270 1.00 0.00 H new ATOM 0 HA LYS A 6 2.218 3.638 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.262 2.451 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.668 2.878 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.000 5.196 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.388 4.845 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.341 5.731 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.655 4.027 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.967 4.312 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.655 6.015 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.805 5.659 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.257 6.295 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.560 4.645 13.520 1.00 0.00 H new ATOM 88 N CYS A 7 4.299 3.655 6.516 1.00 0.00 N ATOM 89 CA CYS A 7 5.227 3.656 5.375 1.00 0.00 C ATOM 90 C CYS A 7 6.292 4.766 5.497 1.00 0.00 C ATOM 91 O CYS A 7 6.093 5.754 6.209 1.00 0.00 O ATOM 92 CB CYS A 7 4.419 3.775 4.067 1.00 0.00 C ATOM 93 SG CYS A 7 3.151 5.079 4.020 1.00 0.00 S ATOM 0 H CYS A 7 4.111 4.591 6.875 1.00 0.00 H new ATOM 0 HA CYS A 7 5.777 2.715 5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.117 3.947 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.933 2.818 3.876 1.00 0.00 H new ATOM 97 N LYS A 8 7.419 4.601 4.786 1.00 0.00 N ATOM 98 CA LYS A 8 8.587 5.510 4.830 1.00 0.00 C ATOM 99 C LYS A 8 8.869 6.223 3.493 1.00 0.00 C ATOM 100 O LYS A 8 9.511 7.273 3.481 1.00 0.00 O ATOM 101 CB LYS A 8 9.804 4.691 5.301 1.00 0.00 C ATOM 102 CG LYS A 8 10.924 5.547 5.914 1.00 0.00 C ATOM 103 CD LYS A 8 12.181 4.709 6.188 1.00 0.00 C ATOM 104 CE LYS A 8 13.324 5.602 6.682 1.00 0.00 C ATOM 105 NZ LYS A 8 14.608 4.856 6.749 1.00 0.00 N ATOM 0 H LYS A 8 7.551 3.816 4.149 1.00 0.00 H new ATOM 0 HA LYS A 8 8.369 6.317 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.475 3.958 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.206 4.134 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.170 6.366 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.574 5.996 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.960 3.945 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.484 4.190 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.433 6.457 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.079 5.996 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.360 5.490 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.510 4.054 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.853 4.501 5.803 1.00 0.00 H new ATOM 115 N HIS A 9 8.360 5.672 2.383 1.00 0.00 N ATOM 116 CA HIS A 9 8.499 6.204 1.016 1.00 0.00 C ATOM 117 C HIS A 9 7.237 5.960 0.159 1.00 0.00 C ATOM 118 O HIS A 9 6.447 6.883 -0.024 1.00 0.00 O ATOM 119 CB HIS A 9 9.756 5.605 0.350 1.00 0.00 C ATOM 120 CG HIS A 9 11.020 6.381 0.618 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.477 7.463 -0.102 1.00 0.00 N ATOM 122 CD2 HIS A 9 11.935 6.146 1.609 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.628 7.884 0.450 1.00 0.00 C ATOM 124 NE2 HIS A 9 12.952 7.106 1.500 1.00 0.00 N ATOM 0 H HIS A 9 7.818 4.808 2.411 1.00 0.00 H new ATOM 0 HA HIS A 9 8.614 7.286 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.888 4.582 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.595 5.554 -0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.883 5.359 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.209 8.725 0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.774 7.197 2.097 1.00 0.00 H new ATOM 132 N SER A 10 7.043 4.733 -0.346 1.00 0.00 N ATOM 133 CA SER A 10 5.941 4.321 -1.252 1.00 0.00 C ATOM 134 C SER A 10 6.068 2.851 -1.650 1.00 0.00 C ATOM 135 O SER A 10 5.159 2.055 -1.412 1.00 0.00 O ATOM 136 CB SER A 10 5.894 5.189 -2.527 1.00 0.00 C ATOM 137 OG SER A 10 7.172 5.277 -3.137 1.00 0.00 O ATOM 0 H SER A 10 7.673 3.961 -0.129 1.00 0.00 H new ATOM 0 HA SER A 10 5.014 4.463 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.180 4.764 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.538 6.188 -2.276 1.00 0.00 H new ATOM 0 HG SER A 10 7.112 5.831 -3.943 1.00 0.00 H new ATOM 142 N ARG A 11 7.237 2.456 -2.165 1.00 0.00 N ATOM 143 CA ARG A 11 7.553 1.082 -2.605 1.00 0.00 C ATOM 144 C ARG A 11 7.510 0.036 -1.478 1.00 0.00 C ATOM 145 O ARG A 11 7.253 -1.138 -1.734 1.00 0.00 O ATOM 146 CB ARG A 11 8.904 1.126 -3.338 1.00 0.00 C ATOM 147 CG ARG A 11 9.089 0.003 -4.368 1.00 0.00 C ATOM 148 CD ARG A 11 10.149 0.410 -5.402 1.00 0.00 C ATOM 149 NE ARG A 11 10.443 -0.665 -6.373 1.00 0.00 N ATOM 150 CZ ARG A 11 9.700 -1.071 -7.389 1.00 0.00 C ATOM 151 NH1 ARG A 11 8.532 -0.560 -7.663 1.00 0.00 N ATOM 152 NH2 ARG A 11 10.131 -2.025 -8.163 1.00 0.00 N ATOM 0 H ARG A 11 8.018 3.100 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 11 6.772 0.740 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.002 2.088 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.707 1.068 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.392 -0.916 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.142 -0.204 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.806 1.295 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.067 0.687 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 11 11.329 -1.154 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.153 0.188 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.997 -0.908 -8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.038 -2.456 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.562 -2.342 -8.948 1.00 0.00 H new ATOM 163 N GLN A 12 7.675 0.475 -0.227 1.00 0.00 N ATOM 164 CA GLN A 12 7.510 -0.345 0.983 1.00 0.00 C ATOM 165 C GLN A 12 6.037 -0.689 1.304 1.00 0.00 C ATOM 166 O GLN A 12 5.788 -1.635 2.046 1.00 0.00 O ATOM 167 CB GLN A 12 8.140 0.340 2.212 1.00 0.00 C ATOM 168 CG GLN A 12 9.439 1.129 1.956 1.00 0.00 C ATOM 169 CD GLN A 12 10.292 1.405 3.198 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.489 1.644 3.104 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.744 1.416 4.396 1.00 0.00 N ATOM 0 H GLN A 12 7.935 1.439 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 12 8.028 -1.279 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.404 1.020 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.344 -0.423 2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.043 0.578 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.181 2.082 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.749 1.220 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.315 1.620 5.216 1.00 0.00 H new ATOM 178 N CYS A 13 5.066 0.055 0.757 1.00 0.00 N ATOM 179 CA CYS A 13 3.628 -0.241 0.853 1.00 0.00 C ATOM 180 C CYS A 13 3.151 -1.282 -0.181 1.00 0.00 C ATOM 181 O CYS A 13 2.208 -2.025 0.091 1.00 0.00 O ATOM 182 CB CYS A 13 2.863 1.084 0.742 1.00 0.00 C ATOM 183 SG CYS A 13 1.063 0.980 0.664 1.00 0.00 S ATOM 0 H CYS A 13 5.263 0.901 0.222 1.00 0.00 H new ATOM 0 HA CYS A 13 3.426 -0.707 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.131 1.704 1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.212 1.604 -0.150 1.00 0.00 H new ATOM 187 N LEU A 14 3.828 -1.427 -1.329 1.00 0.00 N ATOM 188 CA LEU A 14 3.519 -2.498 -2.285 1.00 0.00 C ATOM 189 C LEU A 14 3.651 -3.909 -1.687 1.00 0.00 C ATOM 190 O LEU A 14 2.791 -4.745 -1.956 1.00 0.00 O ATOM 191 CB LEU A 14 4.364 -2.344 -3.562 1.00 0.00 C ATOM 192 CG LEU A 14 3.761 -1.432 -4.644 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.767 -1.261 -5.784 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.480 -2.018 -5.248 1.00 0.00 C ATOM 0 H LEU A 14 4.592 -0.816 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 14 2.467 -2.389 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.343 -1.953 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.526 -3.332 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 14 3.526 -0.482 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.341 -0.615 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.682 -0.811 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.996 -2.235 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.092 -1.339 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.701 -2.983 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.735 -2.150 -4.463 1.00 0.00 H new ATOM 205 N LYS A 15 4.655 -4.171 -0.833 1.00 0.00 N ATOM 206 CA LYS A 15 4.789 -5.453 -0.110 1.00 0.00 C ATOM 207 C LYS A 15 3.508 -5.848 0.658 1.00 0.00 C ATOM 208 O LYS A 15 2.900 -6.859 0.292 1.00 0.00 O ATOM 209 CB LYS A 15 6.032 -5.451 0.805 1.00 0.00 C ATOM 210 CG LYS A 15 7.252 -6.200 0.256 1.00 0.00 C ATOM 211 CD LYS A 15 7.965 -5.499 -0.905 1.00 0.00 C ATOM 212 CE LYS A 15 9.313 -6.187 -1.154 1.00 0.00 C ATOM 213 NZ LYS A 15 10.196 -5.392 -2.047 1.00 0.00 N ATOM 0 H LYS A 15 5.397 -3.503 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 15 4.933 -6.225 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.318 -4.417 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.758 -5.891 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.966 -6.348 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.935 -7.189 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.350 -5.540 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.118 -4.445 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.816 -6.351 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.141 -7.168 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.095 -5.897 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.729 -5.257 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.383 -4.465 -1.614 1.00 0.00 H new ATOM 223 N PRO A 16 3.050 -5.083 1.670 1.00 0.00 N ATOM 224 CA PRO A 16 1.846 -5.426 2.422 1.00 0.00 C ATOM 225 C PRO A 16 0.570 -5.340 1.575 1.00 0.00 C ATOM 226 O PRO A 16 -0.296 -6.195 1.741 1.00 0.00 O ATOM 227 CB PRO A 16 1.838 -4.498 3.640 1.00 0.00 C ATOM 228 CG PRO A 16 2.655 -3.292 3.185 1.00 0.00 C ATOM 229 CD PRO A 16 3.688 -3.914 2.252 1.00 0.00 C ATOM 0 HA PRO A 16 1.861 -6.469 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.824 -4.212 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.284 -4.978 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.037 -2.556 2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.125 -2.782 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.990 -3.208 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.589 -4.193 2.798 1.00 0.00 H new ATOM 234 N CYS A 17 0.456 -4.412 0.615 1.00 0.00 N ATOM 235 CA CYS A 17 -0.701 -4.378 -0.286 1.00 0.00 C ATOM 236 C CYS A 17 -0.868 -5.651 -1.127 1.00 0.00 C ATOM 237 O CYS A 17 -1.956 -6.235 -1.169 1.00 0.00 O ATOM 238 CB CYS A 17 -0.625 -3.160 -1.208 1.00 0.00 C ATOM 239 SG CYS A 17 -0.989 -1.584 -0.409 1.00 0.00 S ATOM 0 H CYS A 17 1.146 -3.681 0.444 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.577 -4.310 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.375 -3.110 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.322 -3.303 -2.034 1.00 0.00 H new ATOM 243 N LYS A 18 0.204 -6.097 -1.790 1.00 0.00 N ATOM 244 CA LYS A 18 0.166 -7.264 -2.681 1.00 0.00 C ATOM 245 C LYS A 18 0.013 -8.574 -1.907 1.00 0.00 C ATOM 246 O LYS A 18 -0.755 -9.444 -2.320 1.00 0.00 O ATOM 247 CB LYS A 18 1.406 -7.225 -3.589 1.00 0.00 C ATOM 248 CG LYS A 18 1.173 -7.921 -4.936 1.00 0.00 C ATOM 249 CD LYS A 18 2.219 -7.479 -5.973 1.00 0.00 C ATOM 250 CE LYS A 18 1.899 -7.993 -7.382 1.00 0.00 C ATOM 251 NZ LYS A 18 2.556 -9.290 -7.691 1.00 0.00 N ATOM 0 H LYS A 18 1.123 -5.660 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.721 -7.220 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.691 -6.188 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.242 -7.702 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.221 -9.002 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.173 -7.688 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.272 -6.390 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.202 -7.842 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.820 -8.105 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.214 -7.249 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.303 -9.586 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.588 -9.182 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.237 -10.011 -7.013 1.00 0.00 H new ATOM 261 N ASP A 19 0.659 -8.683 -0.745 1.00 0.00 N ATOM 262 CA ASP A 19 0.487 -9.815 0.172 1.00 0.00 C ATOM 263 C ASP A 19 -0.918 -9.877 0.817 1.00 0.00 C ATOM 264 O ASP A 19 -1.446 -10.971 1.034 1.00 0.00 O ATOM 265 CB ASP A 19 1.591 -9.763 1.230 1.00 0.00 C ATOM 266 CG ASP A 19 1.760 -11.123 1.927 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.434 -12.011 1.348 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.237 -11.301 3.052 1.00 0.00 O ATOM 0 H ASP A 19 1.322 -7.984 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 19 0.570 -10.734 -0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.532 -9.472 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.353 -8.999 1.970 1.00 0.00 H new ATOM 272 N ALA A 20 -1.571 -8.730 1.059 1.00 0.00 N ATOM 273 CA ALA A 20 -2.965 -8.649 1.517 1.00 0.00 C ATOM 274 C ALA A 20 -4.014 -9.109 0.475 1.00 0.00 C ATOM 275 O ALA A 20 -5.160 -9.392 0.838 1.00 0.00 O ATOM 276 CB ALA A 20 -3.255 -7.211 1.969 1.00 0.00 C ATOM 0 H ALA A 20 -1.136 -7.815 0.939 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.064 -9.351 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.287 -7.138 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.583 -6.943 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.101 -6.529 1.133 1.00 0.00 H new ATOM 282 N GLY A 21 -3.638 -9.182 -0.810 1.00 0.00 N ATOM 283 CA GLY A 21 -4.498 -9.602 -1.928 1.00 0.00 C ATOM 284 C GLY A 21 -5.049 -8.455 -2.790 1.00 0.00 C ATOM 285 O GLY A 21 -5.795 -8.715 -3.737 1.00 0.00 O ATOM 0 H GLY A 21 -2.693 -8.942 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.931 -10.278 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.337 -10.171 -1.527 1.00 0.00 H new ATOM 289 N MET A 22 -4.710 -7.198 -2.483 1.00 0.00 N ATOM 290 CA MET A 22 -5.085 -6.020 -3.282 1.00 0.00 C ATOM 291 C MET A 22 -4.207 -5.864 -4.541 1.00 0.00 C ATOM 292 O MET A 22 -3.168 -6.521 -4.675 1.00 0.00 O ATOM 293 CB MET A 22 -4.995 -4.761 -2.409 1.00 0.00 C ATOM 294 CG MET A 22 -6.187 -4.602 -1.456 1.00 0.00 C ATOM 295 SD MET A 22 -6.246 -5.700 -0.006 1.00 0.00 S ATOM 296 CE MET A 22 -7.362 -4.743 1.059 1.00 0.00 C ATOM 0 H MET A 22 -4.158 -6.964 -1.658 1.00 0.00 H new ATOM 0 HA MET A 22 -6.110 -6.161 -3.625 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.074 -4.795 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.933 -3.884 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.200 -3.572 -1.100 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.101 -4.752 -2.031 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.511 -5.273 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.924 -3.765 1.259 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.322 -4.615 0.559 1.00 0.00 H new ATOM 304 N ARG A 23 -4.606 -4.971 -5.464 1.00 0.00 N ATOM 305 CA ARG A 23 -3.876 -4.699 -6.717 1.00 0.00 C ATOM 306 C ARG A 23 -2.867 -3.561 -6.560 1.00 0.00 C ATOM 307 O ARG A 23 -1.661 -3.791 -6.646 1.00 0.00 O ATOM 308 CB ARG A 23 -4.882 -4.414 -7.853 1.00 0.00 C ATOM 309 CG ARG A 23 -4.177 -4.025 -9.165 1.00 0.00 C ATOM 310 CD ARG A 23 -5.106 -3.993 -10.381 1.00 0.00 C ATOM 311 NE ARG A 23 -6.064 -2.867 -10.360 1.00 0.00 N ATOM 312 CZ ARG A 23 -6.815 -2.473 -11.375 1.00 0.00 C ATOM 313 NH1 ARG A 23 -6.803 -3.091 -12.525 1.00 0.00 N ATOM 314 NH2 ARG A 23 -7.590 -1.433 -11.262 1.00 0.00 N ATOM 0 H ARG A 23 -5.453 -4.412 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.297 -5.586 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.499 -5.297 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.553 -3.610 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.720 -3.043 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.369 -4.731 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.504 -3.931 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.660 -4.930 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.154 -2.349 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.202 -3.904 -12.661 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.395 -2.761 -13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.622 -0.914 -10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.165 -1.137 -12.051 1.00 0.00 H new ATOM 325 N PHE A 24 -3.366 -2.341 -6.364 1.00 0.00 N ATOM 326 CA PHE A 24 -2.540 -1.142 -6.193 1.00 0.00 C ATOM 327 C PHE A 24 -1.914 -1.087 -4.791 1.00 0.00 C ATOM 328 O PHE A 24 -2.408 -1.710 -3.849 1.00 0.00 O ATOM 329 CB PHE A 24 -3.398 0.104 -6.447 1.00 0.00 C ATOM 330 CG PHE A 24 -3.455 0.553 -7.896 1.00 0.00 C ATOM 331 CD1 PHE A 24 -4.450 0.063 -8.757 1.00 0.00 C ATOM 332 CD2 PHE A 24 -2.513 1.477 -8.383 1.00 0.00 C ATOM 333 CE1 PHE A 24 -4.499 0.484 -10.097 1.00 0.00 C ATOM 334 CE2 PHE A 24 -2.561 1.907 -9.718 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.554 1.406 -10.573 1.00 0.00 C ATOM 0 H PHE A 24 -4.368 -2.153 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.723 -1.176 -6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.413 -0.095 -6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.011 0.924 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.181 -0.641 -8.388 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.747 1.859 -7.724 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.261 0.099 -10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.837 2.620 -10.085 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.591 1.731 -11.602 1.00 0.00 H new ATOM 344 N GLY A 25 -0.858 -0.287 -4.649 1.00 0.00 N ATOM 345 CA GLY A 25 -0.226 0.016 -3.365 1.00 0.00 C ATOM 346 C GLY A 25 0.655 1.262 -3.430 1.00 0.00 C ATOM 347 O GLY A 25 1.558 1.343 -4.267 1.00 0.00 O ATOM 0 H GLY A 25 -0.409 0.178 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.997 0.159 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.377 -0.836 -3.050 1.00 0.00 H new ATOM 351 N LYS A 26 0.391 2.242 -2.558 1.00 0.00 N ATOM 352 CA LYS A 26 1.183 3.476 -2.425 1.00 0.00 C ATOM 353 C LYS A 26 1.062 4.083 -1.023 1.00 0.00 C ATOM 354 O LYS A 26 0.040 3.933 -0.355 1.00 0.00 O ATOM 355 CB LYS A 26 0.766 4.488 -3.519 1.00 0.00 C ATOM 356 CG LYS A 26 2.005 5.077 -4.209 1.00 0.00 C ATOM 357 CD LYS A 26 1.718 6.192 -5.227 1.00 0.00 C ATOM 358 CE LYS A 26 1.195 5.710 -6.591 1.00 0.00 C ATOM 359 NZ LYS A 26 -0.286 5.565 -6.658 1.00 0.00 N ATOM 0 H LYS A 26 -0.396 2.201 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 26 2.234 3.225 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.132 3.995 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.175 5.289 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.675 5.469 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.536 4.272 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.988 6.877 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.634 6.762 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.516 6.413 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.654 4.750 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.586 5.522 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.572 4.691 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.736 6.381 -6.196 1.00 0.00 H new ATOM 369 N CYS A 27 2.103 4.787 -0.585 1.00 0.00 N ATOM 370 CA CYS A 27 2.082 5.572 0.652 1.00 0.00 C ATOM 371 C CYS A 27 1.317 6.889 0.409 1.00 0.00 C ATOM 372 O CYS A 27 1.725 7.702 -0.423 1.00 0.00 O ATOM 373 CB CYS A 27 3.532 5.808 1.102 1.00 0.00 C ATOM 374 SG CYS A 27 3.803 6.525 2.745 1.00 0.00 S ATOM 0 H CYS A 27 2.993 4.831 -1.081 1.00 0.00 H new ATOM 0 HA CYS A 27 1.562 5.041 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.054 4.852 1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.008 6.460 0.370 1.00 0.00 H new ATOM 378 N THR A 28 0.206 7.099 1.116 1.00 0.00 N ATOM 379 CA THR A 28 -0.635 8.310 1.056 1.00 0.00 C ATOM 380 C THR A 28 -1.069 8.721 2.466 1.00 0.00 C ATOM 381 O THR A 28 -1.256 7.867 3.330 1.00 0.00 O ATOM 382 CB THR A 28 -1.862 8.095 0.148 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.349 9.362 -0.245 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.027 7.359 0.809 1.00 0.00 C ATOM 0 H THR A 28 -0.153 6.407 1.774 1.00 0.00 H new ATOM 0 HA THR A 28 -0.042 9.115 0.623 1.00 0.00 H new ATOM 0 HB THR A 28 -1.516 7.477 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.130 9.247 -0.826 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.844 7.254 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.698 6.371 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.372 7.926 1.674 1.00 0.00 H new ATOM 392 N ASN A 29 -1.231 10.017 2.737 1.00 0.00 N ATOM 393 CA ASN A 29 -1.602 10.532 4.068 1.00 0.00 C ATOM 394 C ASN A 29 -0.698 10.028 5.237 1.00 0.00 C ATOM 395 O ASN A 29 -1.144 9.915 6.381 1.00 0.00 O ATOM 396 CB ASN A 29 -3.112 10.250 4.255 1.00 0.00 C ATOM 397 CG ASN A 29 -3.777 11.114 5.312 1.00 0.00 C ATOM 398 OD1 ASN A 29 -4.219 10.654 6.358 1.00 0.00 O ATOM 399 ND2 ASN A 29 -3.903 12.396 5.050 1.00 0.00 N ATOM 0 H ASN A 29 -1.109 10.749 2.038 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.419 11.606 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.620 10.404 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.245 9.201 4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.369 13.010 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.534 12.777 4.179 1.00 0.00 H new ATOM 405 N GLY A 30 0.567 9.680 4.948 1.00 0.00 N ATOM 406 CA GLY A 30 1.530 9.073 5.887 1.00 0.00 C ATOM 407 C GLY A 30 1.266 7.598 6.240 1.00 0.00 C ATOM 408 O GLY A 30 1.754 7.114 7.267 1.00 0.00 O ATOM 0 H GLY A 30 0.964 9.818 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.529 9.154 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.530 9.655 6.808 1.00 0.00 H new ATOM 412 N LYS A 31 0.491 6.887 5.412 1.00 0.00 N ATOM 413 CA LYS A 31 0.011 5.513 5.641 1.00 0.00 C ATOM 414 C LYS A 31 -0.093 4.718 4.337 1.00 0.00 C ATOM 415 O LYS A 31 -0.174 5.272 3.243 1.00 0.00 O ATOM 416 CB LYS A 31 -1.351 5.584 6.369 1.00 0.00 C ATOM 417 CG LYS A 31 -1.289 4.933 7.761 1.00 0.00 C ATOM 418 CD LYS A 31 -2.270 5.554 8.773 1.00 0.00 C ATOM 419 CE LYS A 31 -1.508 6.061 10.005 1.00 0.00 C ATOM 420 NZ LYS A 31 -2.410 6.643 11.032 1.00 0.00 N ATOM 0 H LYS A 31 0.165 7.268 4.524 1.00 0.00 H new ATOM 0 HA LYS A 31 0.732 4.982 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.656 6.626 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.111 5.085 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.503 3.868 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.274 5.021 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.812 6.377 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.011 4.814 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.946 5.237 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.782 6.813 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.847 6.970 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.928 7.447 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.087 5.920 11.350 1.00 0.00 H new ATOM 430 N CYS A 32 -0.061 3.397 4.441 1.00 0.00 N ATOM 431 CA CYS A 32 -0.180 2.514 3.291 1.00 0.00 C ATOM 432 C CYS A 32 -1.632 2.462 2.790 1.00 0.00 C ATOM 433 O CYS A 32 -2.556 2.217 3.567 1.00 0.00 O ATOM 434 CB CYS A 32 0.364 1.137 3.671 1.00 0.00 C ATOM 435 SG CYS A 32 0.498 -0.060 2.320 1.00 0.00 S ATOM 0 H CYS A 32 0.049 2.907 5.329 1.00 0.00 H new ATOM 0 HA CYS A 32 0.412 2.896 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.351 1.267 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.279 0.714 4.443 1.00 0.00 H new ATOM 439 N HIS A 33 -1.821 2.663 1.487 1.00 0.00 N ATOM 440 CA HIS A 33 -3.107 2.638 0.790 1.00 0.00 C ATOM 441 C HIS A 33 -3.031 1.616 -0.349 1.00 0.00 C ATOM 442 O HIS A 33 -2.079 1.612 -1.131 1.00 0.00 O ATOM 443 CB HIS A 33 -3.448 4.050 0.275 1.00 0.00 C ATOM 444 CG HIS A 33 -4.194 4.100 -1.042 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.497 3.723 -1.293 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.657 4.490 -2.239 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.737 3.886 -2.608 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.639 4.354 -3.230 1.00 0.00 N ATOM 0 H HIS A 33 -1.043 2.857 0.857 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.905 2.337 1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.046 4.559 1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.521 4.613 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.648 4.843 -2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.677 3.672 -3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.541 4.567 -4.223 1.00 0.00 H new ATOM 456 N CYS A 34 -4.070 0.789 -0.455 1.00 0.00 N ATOM 457 CA CYS A 34 -4.255 -0.225 -1.487 1.00 0.00 C ATOM 458 C CYS A 34 -5.693 -0.122 -2.030 1.00 0.00 C ATOM 459 O CYS A 34 -6.570 0.427 -1.360 1.00 0.00 O ATOM 460 CB CYS A 34 -4.033 -1.629 -0.901 1.00 0.00 C ATOM 461 SG CYS A 34 -2.815 -1.859 0.426 1.00 0.00 S ATOM 0 H CYS A 34 -4.843 0.811 0.210 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.534 -0.061 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.994 -1.983 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.749 -2.285 -1.723 1.00 0.00 H new ATOM 465 N THR A 35 -5.960 -0.719 -3.189 1.00 0.00 N ATOM 466 CA THR A 35 -7.298 -0.770 -3.818 1.00 0.00 C ATOM 467 C THR A 35 -7.485 -2.098 -4.570 1.00 0.00 C ATOM 468 O THR A 35 -6.496 -2.748 -4.937 1.00 0.00 O ATOM 469 CB THR A 35 -7.563 0.435 -4.764 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.373 1.071 -5.174 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.419 1.502 -4.082 1.00 0.00 C ATOM 0 H THR A 35 -5.243 -1.194 -3.737 1.00 0.00 H new ATOM 0 HA THR A 35 -8.031 -0.705 -3.014 1.00 0.00 H new ATOM 0 HB THR A 35 -8.077 0.012 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.590 1.820 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.585 2.330 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.378 1.071 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.905 1.867 -3.193 1.00 0.00 H new ATOM 479 N PRO A 36 -8.739 -2.549 -4.777 1.00 0.00 N ATOM 480 CA PRO A 36 -9.045 -3.817 -5.439 1.00 0.00 C ATOM 481 C PRO A 36 -8.716 -3.790 -6.943 1.00 0.00 C ATOM 482 O PRO A 36 -8.471 -2.727 -7.527 1.00 0.00 O ATOM 483 CB PRO A 36 -10.538 -4.051 -5.187 1.00 0.00 C ATOM 484 CG PRO A 36 -11.108 -2.643 -5.051 1.00 0.00 C ATOM 485 CD PRO A 36 -9.973 -1.882 -4.381 1.00 0.00 C ATOM 0 HA PRO A 36 -8.434 -4.627 -5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.003 -4.593 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.704 -4.639 -4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.365 -2.215 -6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.015 -2.631 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.968 -0.838 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.088 -1.889 -3.297 1.00 0.00 H new ATOM 490 N LYS A 37 -8.722 -4.971 -7.576 1.00 0.00 N ATOM 491 CA LYS A 37 -8.596 -5.119 -9.036 1.00 0.00 C ATOM 492 C LYS A 37 -9.929 -4.771 -9.738 1.00 0.00 C ATOM 493 O LYS A 37 -10.929 -5.498 -9.534 1.00 0.00 O ATOM 494 CB LYS A 37 -8.121 -6.542 -9.370 1.00 0.00 C ATOM 495 CG LYS A 37 -7.790 -6.703 -10.867 1.00 0.00 C ATOM 496 CD LYS A 37 -8.417 -7.946 -11.510 1.00 0.00 C ATOM 497 CE LYS A 37 -7.688 -9.244 -11.146 1.00 0.00 C ATOM 498 NZ LYS A 37 -6.426 -9.418 -11.915 1.00 0.00 N ATOM 0 H LYS A 37 -8.815 -5.861 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.850 -4.418 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.238 -6.778 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.894 -7.257 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.132 -5.817 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.708 -6.750 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.459 -8.022 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.416 -7.827 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.464 -9.245 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.346 -10.093 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.969 -10.309 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.640 -9.444 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.786 -8.623 -11.716 1.00 0.00 H new