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=-0.002) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.212 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=-0.00344 X(o=-0.0034,f=-0.0034) 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= -0.0938 USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00393) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.606 -0.385 1.492 1.00 0.00 N ATOM 17 CA GLY A 2 -7.164 -0.561 1.698 1.00 0.00 C ATOM 18 C GLY A 2 -6.833 -1.247 3.030 1.00 0.00 C ATOM 19 O GLY A 2 -7.580 -2.113 3.494 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.754 -1.152 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.675 0.413 1.665 1.00 0.00 H new ATOM 23 N ILE A 3 -5.706 -0.863 3.636 1.00 0.00 N ATOM 24 CA ILE A 3 -5.176 -1.422 4.896 1.00 0.00 C ATOM 25 C ILE A 3 -4.737 -0.297 5.858 1.00 0.00 C ATOM 26 O ILE A 3 -4.783 0.884 5.506 1.00 0.00 O ATOM 27 CB ILE A 3 -4.045 -2.445 4.608 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.773 -1.781 4.038 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.556 -3.581 3.700 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.657 -2.787 3.726 1.00 0.00 C ATOM 0 H ILE A 3 -5.111 -0.128 3.254 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.973 -1.967 5.402 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.753 -2.881 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.030 -1.239 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.402 -1.046 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.747 -4.287 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.380 -4.097 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.902 -3.163 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.791 -2.258 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.375 -3.312 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.012 -3.507 2.989 1.00 0.00 H new ATOM 41 N ASN A 4 -4.295 -0.652 7.070 1.00 0.00 N ATOM 42 CA ASN A 4 -3.846 0.294 8.101 1.00 0.00 C ATOM 43 C ASN A 4 -2.421 -0.056 8.577 1.00 0.00 C ATOM 44 O ASN A 4 -2.232 -0.751 9.578 1.00 0.00 O ATOM 45 CB ASN A 4 -4.883 0.357 9.236 1.00 0.00 C ATOM 46 CG ASN A 4 -4.572 1.486 10.208 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.695 2.660 9.889 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.146 1.182 11.414 1.00 0.00 N ATOM 0 H ASN A 4 -4.238 -1.626 7.369 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.778 1.299 7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.878 0.501 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.898 -0.593 9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.920 1.923 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.041 0.205 11.687 1.00 0.00 H new ATOM 54 N VAL A 5 -1.421 0.399 7.815 1.00 0.00 N ATOM 55 CA VAL A 5 0.016 0.128 8.026 1.00 0.00 C ATOM 56 C VAL A 5 0.808 1.412 7.759 1.00 0.00 C ATOM 57 O VAL A 5 0.427 2.195 6.889 1.00 0.00 O ATOM 58 CB VAL A 5 0.521 -1.001 7.092 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.909 -1.505 7.507 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.399 -2.227 7.058 1.00 0.00 C ATOM 0 H VAL A 5 -1.591 0.990 7.001 1.00 0.00 H new ATOM 0 HA VAL A 5 0.161 -0.200 9.055 1.00 0.00 H new ATOM 0 HB VAL A 5 0.545 -0.538 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.227 -2.296 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.622 -0.682 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.865 -1.896 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.017 -2.976 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.482 -2.647 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.387 -1.931 6.705 1.00 0.00 H new ATOM 70 N LYS A 6 1.905 1.651 8.482 1.00 0.00 N ATOM 71 CA LYS A 6 2.798 2.803 8.252 1.00 0.00 C ATOM 72 C LYS A 6 3.701 2.602 7.018 1.00 0.00 C ATOM 73 O LYS A 6 3.891 1.477 6.552 1.00 0.00 O ATOM 74 CB LYS A 6 3.620 3.064 9.530 1.00 0.00 C ATOM 75 CG LYS A 6 3.675 4.560 9.867 1.00 0.00 C ATOM 76 CD LYS A 6 4.544 4.808 11.106 1.00 0.00 C ATOM 77 CE LYS A 6 4.569 6.303 11.444 1.00 0.00 C ATOM 78 NZ LYS A 6 5.656 6.625 12.405 1.00 0.00 N ATOM 0 H LYS A 6 2.206 1.050 9.250 1.00 0.00 H new ATOM 0 HA LYS A 6 2.190 3.681 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.180 2.518 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.632 2.682 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.077 5.114 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.667 4.935 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.153 4.243 11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.558 4.451 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.706 6.882 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.609 6.598 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.645 7.644 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.511 6.091 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.574 6.366 11.990 1.00 0.00 H new ATOM 88 N CYS A 7 4.287 3.686 6.506 1.00 0.00 N ATOM 89 CA CYS A 7 5.225 3.676 5.373 1.00 0.00 C ATOM 90 C CYS A 7 6.302 4.773 5.493 1.00 0.00 C ATOM 91 O CYS A 7 6.126 5.761 6.212 1.00 0.00 O ATOM 92 CB CYS A 7 4.427 3.794 4.059 1.00 0.00 C ATOM 93 SG CYS A 7 3.159 5.094 4.000 1.00 0.00 S ATOM 0 H CYS A 7 4.120 4.622 6.875 1.00 0.00 H new ATOM 0 HA CYS A 7 5.768 2.731 5.378 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.132 3.966 3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.944 2.836 3.865 1.00 0.00 H new ATOM 97 N LYS A 8 7.420 4.593 4.769 1.00 0.00 N ATOM 98 CA LYS A 8 8.614 5.470 4.802 1.00 0.00 C ATOM 99 C LYS A 8 8.890 6.185 3.464 1.00 0.00 C ATOM 100 O LYS A 8 9.558 7.217 3.453 1.00 0.00 O ATOM 101 CB LYS A 8 9.829 4.618 5.232 1.00 0.00 C ATOM 102 CG LYS A 8 10.972 5.382 5.931 1.00 0.00 C ATOM 103 CD LYS A 8 10.943 5.213 7.459 1.00 0.00 C ATOM 104 CE LYS A 8 12.206 5.820 8.087 1.00 0.00 C ATOM 105 NZ LYS A 8 12.139 5.824 9.573 1.00 0.00 N ATOM 0 H LYS A 8 7.526 3.810 4.123 1.00 0.00 H new ATOM 0 HA LYS A 8 8.427 6.268 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.479 3.833 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.234 4.125 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.929 5.029 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.901 6.441 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.056 5.697 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.875 4.155 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.080 5.254 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.336 6.840 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.010 6.241 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.320 6.385 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.040 4.848 9.919 1.00 0.00 H new ATOM 115 N HIS A 9 8.355 5.658 2.353 1.00 0.00 N ATOM 116 CA HIS A 9 8.486 6.216 0.996 1.00 0.00 C ATOM 117 C HIS A 9 7.241 5.953 0.130 1.00 0.00 C ATOM 118 O HIS A 9 6.424 6.857 -0.046 1.00 0.00 O ATOM 119 CB HIS A 9 9.757 5.659 0.322 1.00 0.00 C ATOM 120 CG HIS A 9 11.007 6.432 0.650 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.271 7.730 0.269 1.00 0.00 N ATOM 122 CD2 HIS A 9 12.099 5.983 1.344 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.487 8.060 0.729 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.037 7.024 1.391 1.00 0.00 N ATOM 0 H HIS A 9 7.800 4.802 2.373 1.00 0.00 H new ATOM 0 HA HIS A 9 8.574 7.298 1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.893 4.621 0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.614 5.659 -0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.217 5.001 1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.959 9.021 0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.954 7.001 1.838 1.00 0.00 H new ATOM 132 N SER A 10 7.079 4.726 -0.391 1.00 0.00 N ATOM 133 CA SER A 10 5.985 4.298 -1.291 1.00 0.00 C ATOM 134 C SER A 10 6.107 2.824 -1.694 1.00 0.00 C ATOM 135 O SER A 10 5.182 2.048 -1.459 1.00 0.00 O ATOM 136 CB SER A 10 5.924 5.165 -2.564 1.00 0.00 C ATOM 137 OG SER A 10 7.199 5.251 -3.184 1.00 0.00 O ATOM 0 H SER A 10 7.733 3.969 -0.190 1.00 0.00 H new ATOM 0 HA SER A 10 5.064 4.428 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.204 4.740 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.571 6.165 -2.311 1.00 0.00 H new ATOM 0 HG SER A 10 7.134 5.805 -3.990 1.00 0.00 H new ATOM 142 N ARG A 11 7.269 2.404 -2.209 1.00 0.00 N ATOM 143 CA ARG A 11 7.564 1.003 -2.586 1.00 0.00 C ATOM 144 C ARG A 11 7.408 0.012 -1.427 1.00 0.00 C ATOM 145 O ARG A 11 7.028 -1.137 -1.637 1.00 0.00 O ATOM 146 CB ARG A 11 8.982 0.904 -3.187 1.00 0.00 C ATOM 147 CG ARG A 11 8.967 0.288 -4.592 1.00 0.00 C ATOM 148 CD ARG A 11 10.400 0.033 -5.084 1.00 0.00 C ATOM 149 NE ARG A 11 10.480 -0.004 -6.557 1.00 0.00 N ATOM 150 CZ ARG A 11 10.577 1.039 -7.366 1.00 0.00 C ATOM 151 NH1 ARG A 11 10.572 2.267 -6.922 1.00 0.00 N ATOM 152 NH2 ARG A 11 10.681 0.873 -8.653 1.00 0.00 N ATOM 0 H ARG A 11 8.051 3.036 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 11 6.822 0.720 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.428 1.898 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.612 0.301 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.409 -0.648 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.453 0.956 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.058 0.815 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.760 -0.912 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 11 10.458 -0.925 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.491 2.447 -5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.649 3.046 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.688 -0.068 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.755 1.684 -9.267 1.00 0.00 H new ATOM 163 N GLN A 12 7.640 0.472 -0.196 1.00 0.00 N ATOM 164 CA GLN A 12 7.476 -0.330 1.024 1.00 0.00 C ATOM 165 C GLN A 12 6.008 -0.670 1.335 1.00 0.00 C ATOM 166 O GLN A 12 5.754 -1.606 2.088 1.00 0.00 O ATOM 167 CB GLN A 12 8.119 0.361 2.243 1.00 0.00 C ATOM 168 CG GLN A 12 9.424 1.128 1.947 1.00 0.00 C ATOM 169 CD GLN A 12 10.303 1.390 3.173 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.500 1.612 3.060 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.775 1.399 4.381 1.00 0.00 N ATOM 0 H GLN A 12 7.952 1.426 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 12 7.993 -1.269 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.396 1.056 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.323 -0.393 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.003 0.564 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.172 2.083 1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.779 1.217 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.363 1.588 5.193 1.00 0.00 H new ATOM 178 N CYS A 13 5.042 0.063 0.759 1.00 0.00 N ATOM 179 CA CYS A 13 3.609 -0.222 0.860 1.00 0.00 C ATOM 180 C CYS A 13 3.136 -1.263 -0.178 1.00 0.00 C ATOM 181 O CYS A 13 2.196 -2.011 0.092 1.00 0.00 O ATOM 182 CB CYS A 13 2.845 1.104 0.734 1.00 0.00 C ATOM 183 SG CYS A 13 1.042 0.986 0.648 1.00 0.00 S ATOM 0 H CYS A 13 5.245 0.890 0.197 1.00 0.00 H new ATOM 0 HA CYS A 13 3.403 -0.675 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.106 1.732 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.197 1.618 -0.160 1.00 0.00 H new ATOM 187 N LEU A 14 3.810 -1.403 -1.329 1.00 0.00 N ATOM 188 CA LEU A 14 3.492 -2.471 -2.292 1.00 0.00 C ATOM 189 C LEU A 14 3.624 -3.874 -1.676 1.00 0.00 C ATOM 190 O LEU A 14 2.770 -4.719 -1.941 1.00 0.00 O ATOM 191 CB LEU A 14 4.348 -2.351 -3.570 1.00 0.00 C ATOM 192 CG LEU A 14 3.760 -1.429 -4.652 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.766 -1.263 -5.792 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.470 -1.996 -5.258 1.00 0.00 C ATOM 0 H LEU A 14 4.576 -0.794 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 14 2.446 -2.338 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.337 -1.983 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.485 -3.346 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 14 3.540 -0.477 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.345 -0.609 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.685 -0.824 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.985 -2.237 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.092 -1.310 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.677 -2.964 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.722 -2.117 -4.474 1.00 0.00 H new ATOM 205 N LYS A 15 4.632 -4.118 -0.821 1.00 0.00 N ATOM 206 CA LYS A 15 4.805 -5.406 -0.116 1.00 0.00 C ATOM 207 C LYS A 15 3.551 -5.834 0.674 1.00 0.00 C ATOM 208 O LYS A 15 2.977 -6.871 0.329 1.00 0.00 O ATOM 209 CB LYS A 15 6.082 -5.404 0.757 1.00 0.00 C ATOM 210 CG LYS A 15 7.188 -6.292 0.170 1.00 0.00 C ATOM 211 CD LYS A 15 7.876 -5.688 -1.065 1.00 0.00 C ATOM 212 CE LYS A 15 8.489 -6.809 -1.922 1.00 0.00 C ATOM 213 NZ LYS A 15 9.899 -6.537 -2.302 1.00 0.00 N ATOM 0 H LYS A 15 5.351 -3.430 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 15 4.939 -6.168 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.452 -4.383 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.835 -5.751 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.938 -6.478 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.761 -7.258 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.154 -5.121 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.653 -4.989 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.441 -7.749 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.892 -6.937 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.261 -7.324 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.947 -5.655 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.478 -6.441 -1.443 1.00 0.00 H new ATOM 223 N PRO A 16 3.069 -5.067 1.673 1.00 0.00 N ATOM 224 CA PRO A 16 1.865 -5.422 2.419 1.00 0.00 C ATOM 225 C PRO A 16 0.587 -5.341 1.569 1.00 0.00 C ATOM 226 O PRO A 16 -0.289 -6.183 1.753 1.00 0.00 O ATOM 227 CB PRO A 16 1.836 -4.492 3.639 1.00 0.00 C ATOM 228 CG PRO A 16 2.637 -3.277 3.189 1.00 0.00 C ATOM 229 CD PRO A 16 3.686 -3.887 2.262 1.00 0.00 C ATOM 0 HA PRO A 16 1.895 -6.466 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.816 -4.220 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.284 -4.965 4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.012 -2.550 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.094 -2.759 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.984 -3.177 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.587 -4.153 2.815 1.00 0.00 H new ATOM 234 N CYS A 17 0.471 -4.418 0.601 1.00 0.00 N ATOM 235 CA CYS A 17 -0.694 -4.376 -0.298 1.00 0.00 C ATOM 236 C CYS A 17 -0.858 -5.646 -1.149 1.00 0.00 C ATOM 237 O CYS A 17 -1.951 -6.218 -1.204 1.00 0.00 O ATOM 238 CB CYS A 17 -0.620 -3.157 -1.223 1.00 0.00 C ATOM 239 SG CYS A 17 -0.995 -1.567 -0.452 1.00 0.00 S ATOM 0 H CYS A 17 1.166 -3.694 0.421 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.566 -4.306 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.382 -3.107 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.311 -3.310 -2.052 1.00 0.00 H new ATOM 243 N LYS A 18 0.214 -6.105 -1.805 1.00 0.00 N ATOM 244 CA LYS A 18 0.171 -7.290 -2.673 1.00 0.00 C ATOM 245 C LYS A 18 -0.053 -8.567 -1.863 1.00 0.00 C ATOM 246 O LYS A 18 -0.876 -9.402 -2.238 1.00 0.00 O ATOM 247 CB LYS A 18 1.456 -7.361 -3.515 1.00 0.00 C ATOM 248 CG LYS A 18 1.199 -7.939 -4.913 1.00 0.00 C ATOM 249 CD LYS A 18 2.514 -8.000 -5.708 1.00 0.00 C ATOM 250 CE LYS A 18 2.257 -7.901 -7.218 1.00 0.00 C ATOM 251 NZ LYS A 18 3.343 -7.152 -7.905 1.00 0.00 N ATOM 0 H LYS A 18 1.134 -5.668 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.678 -7.201 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.883 -6.362 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.193 -7.976 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.769 -8.937 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.473 -7.322 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.169 -7.187 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.033 -8.932 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.179 -8.902 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.303 -7.405 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.140 -7.103 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.400 -6.189 -7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.249 -7.640 -7.756 1.00 0.00 H new ATOM 261 N ASP A 19 0.617 -8.686 -0.714 1.00 0.00 N ATOM 262 CA ASP A 19 0.445 -9.800 0.226 1.00 0.00 C ATOM 263 C ASP A 19 -0.964 -9.849 0.863 1.00 0.00 C ATOM 264 O ASP A 19 -1.493 -10.937 1.099 1.00 0.00 O ATOM 265 CB ASP A 19 1.541 -9.714 1.295 1.00 0.00 C ATOM 266 CG ASP A 19 1.498 -10.905 2.266 1.00 0.00 C ATOM 267 OD1 ASP A 19 1.853 -12.033 1.854 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.132 -10.708 3.452 1.00 0.00 O ATOM 0 H ASP A 19 1.306 -8.000 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 19 0.539 -10.732 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.517 -9.677 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.428 -8.786 1.855 1.00 0.00 H new ATOM 272 N ALA A 20 -1.610 -8.696 1.082 1.00 0.00 N ATOM 273 CA ALA A 20 -3.005 -8.603 1.532 1.00 0.00 C ATOM 274 C ALA A 20 -4.038 -9.077 0.482 1.00 0.00 C ATOM 275 O ALA A 20 -5.194 -9.332 0.832 1.00 0.00 O ATOM 276 CB ALA A 20 -3.295 -7.156 1.957 1.00 0.00 C ATOM 0 H ALA A 20 -1.170 -7.786 0.949 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.116 -9.285 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.329 -7.076 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.626 -6.875 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.136 -6.489 1.110 1.00 0.00 H new ATOM 282 N GLY A 21 -3.645 -9.194 -0.793 1.00 0.00 N ATOM 283 CA GLY A 21 -4.505 -9.621 -1.905 1.00 0.00 C ATOM 284 C GLY A 21 -5.061 -8.475 -2.767 1.00 0.00 C ATOM 285 O GLY A 21 -5.801 -8.734 -3.720 1.00 0.00 O ATOM 0 H GLY A 21 -2.691 -8.988 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.938 -10.297 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.341 -10.192 -1.501 1.00 0.00 H new ATOM 289 N MET A 22 -4.728 -7.218 -2.450 1.00 0.00 N ATOM 290 CA MET A 22 -5.076 -6.036 -3.253 1.00 0.00 C ATOM 291 C MET A 22 -4.175 -5.900 -4.500 1.00 0.00 C ATOM 292 O MET A 22 -3.170 -6.605 -4.641 1.00 0.00 O ATOM 293 CB MET A 22 -4.993 -4.771 -2.379 1.00 0.00 C ATOM 294 CG MET A 22 -6.190 -4.601 -1.432 1.00 0.00 C ATOM 295 SD MET A 22 -6.231 -5.690 0.018 1.00 0.00 S ATOM 296 CE MET A 22 -7.353 -4.736 1.073 1.00 0.00 C ATOM 0 H MET A 22 -4.197 -6.988 -1.610 1.00 0.00 H new ATOM 0 HA MET A 22 -6.098 -6.160 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.076 -4.805 -1.790 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.924 -3.896 -3.026 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.207 -3.568 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.104 -4.759 -2.004 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.497 -5.259 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.924 -3.752 1.264 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.314 -4.622 0.572 1.00 0.00 H new ATOM 304 N ARG A 23 -4.529 -4.974 -5.405 1.00 0.00 N ATOM 305 CA ARG A 23 -3.810 -4.727 -6.670 1.00 0.00 C ATOM 306 C ARG A 23 -2.836 -3.553 -6.555 1.00 0.00 C ATOM 307 O ARG A 23 -1.622 -3.758 -6.603 1.00 0.00 O ATOM 308 CB ARG A 23 -4.847 -4.547 -7.796 1.00 0.00 C ATOM 309 CG ARG A 23 -4.277 -3.970 -9.108 1.00 0.00 C ATOM 310 CD ARG A 23 -4.869 -4.660 -10.342 1.00 0.00 C ATOM 311 NE ARG A 23 -4.908 -3.767 -11.513 1.00 0.00 N ATOM 312 CZ ARG A 23 -5.215 -4.122 -12.749 1.00 0.00 C ATOM 313 NH1 ARG A 23 -5.411 -5.368 -13.082 1.00 0.00 N ATOM 314 NH2 ARG A 23 -5.336 -3.223 -13.684 1.00 0.00 N ATOM 0 H ARG A 23 -5.337 -4.364 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.183 -5.585 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.305 -5.513 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.640 -3.890 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.485 -2.901 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.193 -4.084 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.278 -5.544 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.878 -5.003 -10.115 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.677 -2.786 -11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.329 -6.103 -12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.647 -5.608 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.194 -2.237 -13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.573 -3.505 -14.635 1.00 0.00 H new ATOM 325 N PHE A 24 -3.355 -2.336 -6.408 1.00 0.00 N ATOM 326 CA PHE A 24 -2.536 -1.134 -6.215 1.00 0.00 C ATOM 327 C PHE A 24 -1.931 -1.082 -4.805 1.00 0.00 C ATOM 328 O PHE A 24 -2.431 -1.716 -3.873 1.00 0.00 O ATOM 329 CB PHE A 24 -3.392 0.111 -6.485 1.00 0.00 C ATOM 330 CG PHE A 24 -3.487 0.514 -7.943 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.352 1.027 -8.599 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.708 0.423 -8.639 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.433 1.441 -9.940 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.791 0.842 -9.979 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.653 1.351 -10.630 1.00 0.00 C ATOM 0 H PHE A 24 -4.358 -2.152 -6.419 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.704 -1.164 -6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.398 -0.068 -6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.982 0.947 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.414 1.103 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.583 0.030 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.557 1.828 -10.440 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.730 0.773 -10.509 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.717 1.672 -11.659 1.00 0.00 H new ATOM 344 N GLY A 25 -0.882 -0.272 -4.645 1.00 0.00 N ATOM 345 CA GLY A 25 -0.254 0.008 -3.357 1.00 0.00 C ATOM 346 C GLY A 25 0.654 1.236 -3.408 1.00 0.00 C ATOM 347 O GLY A 25 1.599 1.257 -4.195 1.00 0.00 O ATOM 0 H GLY A 25 -0.439 0.216 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.027 0.162 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.328 -0.859 -3.043 1.00 0.00 H new ATOM 351 N LYS A 26 0.378 2.252 -2.580 1.00 0.00 N ATOM 352 CA LYS A 26 1.183 3.484 -2.456 1.00 0.00 C ATOM 353 C LYS A 26 1.080 4.072 -1.044 1.00 0.00 C ATOM 354 O LYS A 26 0.068 3.909 -0.364 1.00 0.00 O ATOM 355 CB LYS A 26 0.719 4.531 -3.499 1.00 0.00 C ATOM 356 CG LYS A 26 1.870 5.132 -4.332 1.00 0.00 C ATOM 357 CD LYS A 26 2.128 4.343 -5.625 1.00 0.00 C ATOM 358 CE LYS A 26 3.296 4.939 -6.420 1.00 0.00 C ATOM 359 NZ LYS A 26 3.716 4.041 -7.529 1.00 0.00 N ATOM 0 H LYS A 26 -0.432 2.244 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 26 2.225 3.226 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.000 4.065 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.197 5.337 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.633 6.166 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.780 5.149 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.345 3.303 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.228 4.345 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.004 5.908 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.140 5.114 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.508 4.474 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.017 3.125 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.917 3.895 -8.179 1.00 0.00 H new ATOM 369 N CYS A 27 2.111 4.796 -0.614 1.00 0.00 N ATOM 370 CA CYS A 27 2.086 5.578 0.625 1.00 0.00 C ATOM 371 C CYS A 27 1.322 6.898 0.388 1.00 0.00 C ATOM 372 O CYS A 27 1.722 7.709 -0.451 1.00 0.00 O ATOM 373 CB CYS A 27 3.538 5.808 1.068 1.00 0.00 C ATOM 374 SG CYS A 27 3.828 6.521 2.711 1.00 0.00 S ATOM 0 H CYS A 27 2.996 4.858 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 27 1.562 5.050 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.056 4.850 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.011 6.460 0.334 1.00 0.00 H new ATOM 378 N THR A 28 0.220 7.115 1.111 1.00 0.00 N ATOM 379 CA THR A 28 -0.620 8.329 1.062 1.00 0.00 C ATOM 380 C THR A 28 -1.060 8.713 2.474 1.00 0.00 C ATOM 381 O THR A 28 -1.224 7.841 3.327 1.00 0.00 O ATOM 382 CB THR A 28 -1.844 8.125 0.148 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.338 9.387 -0.241 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.006 7.371 0.797 1.00 0.00 C ATOM 0 H THR A 28 -0.131 6.425 1.776 1.00 0.00 H new ATOM 0 HA THR A 28 -0.027 9.141 0.641 1.00 0.00 H new ATOM 0 HB THR A 28 -1.488 7.523 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.116 9.268 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.822 7.274 0.081 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.671 6.379 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.354 7.921 1.671 1.00 0.00 H new ATOM 392 N ASN A 29 -1.259 10.001 2.763 1.00 0.00 N ATOM 393 CA ASN A 29 -1.642 10.486 4.103 1.00 0.00 C ATOM 394 C ASN A 29 -0.706 9.987 5.249 1.00 0.00 C ATOM 395 O ASN A 29 -1.123 9.851 6.399 1.00 0.00 O ATOM 396 CB ASN A 29 -3.138 10.142 4.299 1.00 0.00 C ATOM 397 CG ASN A 29 -3.823 10.946 5.391 1.00 0.00 C ATOM 398 OD1 ASN A 29 -4.151 10.455 6.464 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.108 12.204 5.136 1.00 0.00 N ATOM 0 H ASN A 29 -1.160 10.746 2.074 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.508 11.566 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.663 10.306 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.228 9.081 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.600 12.766 5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.837 12.618 4.244 1.00 0.00 H new ATOM 405 N GLY A 30 0.560 9.665 4.933 1.00 0.00 N ATOM 406 CA GLY A 30 1.535 9.060 5.857 1.00 0.00 C ATOM 407 C GLY A 30 1.268 7.587 6.220 1.00 0.00 C ATOM 408 O GLY A 30 1.751 7.112 7.251 1.00 0.00 O ATOM 0 H GLY A 30 0.944 9.823 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.527 9.134 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.553 9.646 6.776 1.00 0.00 H new ATOM 412 N LYS A 31 0.492 6.867 5.399 1.00 0.00 N ATOM 413 CA LYS A 31 0.022 5.488 5.620 1.00 0.00 C ATOM 414 C LYS A 31 -0.069 4.701 4.312 1.00 0.00 C ATOM 415 O LYS A 31 -0.138 5.258 3.219 1.00 0.00 O ATOM 416 CB LYS A 31 -1.354 5.543 6.320 1.00 0.00 C ATOM 417 CG LYS A 31 -1.289 4.996 7.757 1.00 0.00 C ATOM 418 CD LYS A 31 -2.262 5.709 8.713 1.00 0.00 C ATOM 419 CE LYS A 31 -1.542 6.043 10.026 1.00 0.00 C ATOM 420 NZ LYS A 31 -2.255 7.096 10.794 1.00 0.00 N ATOM 0 H LYS A 31 0.156 7.249 4.515 1.00 0.00 H new ATOM 0 HA LYS A 31 0.743 4.967 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.711 6.573 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.078 4.966 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.515 3.930 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.272 5.102 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.639 6.622 8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.125 5.073 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.459 5.142 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.527 6.376 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.738 7.294 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.312 7.964 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.215 6.769 11.023 1.00 0.00 H new ATOM 430 N CYS A 32 -0.047 3.382 4.412 1.00 0.00 N ATOM 431 CA CYS A 32 -0.174 2.507 3.261 1.00 0.00 C ATOM 432 C CYS A 32 -1.628 2.465 2.768 1.00 0.00 C ATOM 433 O CYS A 32 -2.555 2.235 3.548 1.00 0.00 O ATOM 434 CB CYS A 32 0.357 1.125 3.648 1.00 0.00 C ATOM 435 SG CYS A 32 0.468 -0.069 2.296 1.00 0.00 S ATOM 0 H CYS A 32 0.060 2.887 5.298 1.00 0.00 H new ATOM 0 HA CYS A 32 0.416 2.884 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.348 1.245 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.287 0.711 4.424 1.00 0.00 H new ATOM 439 N HIS A 33 -1.819 2.665 1.466 1.00 0.00 N ATOM 440 CA HIS A 33 -3.108 2.633 0.775 1.00 0.00 C ATOM 441 C HIS A 33 -3.036 1.619 -0.364 1.00 0.00 C ATOM 442 O HIS A 33 -2.094 1.626 -1.156 1.00 0.00 O ATOM 443 CB HIS A 33 -3.441 4.044 0.255 1.00 0.00 C ATOM 444 CG HIS A 33 -4.185 4.100 -1.060 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.493 3.730 -1.301 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.652 4.493 -2.259 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.736 3.899 -2.612 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.642 4.369 -3.238 1.00 0.00 N ATOM 0 H HIS A 33 -1.044 2.863 0.834 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.902 2.328 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.036 4.558 1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.510 4.601 0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.642 4.839 -2.420 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.678 3.687 -3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.553 4.591 -4.230 1.00 0.00 H new ATOM 456 N CYS A 34 -4.071 0.791 -0.454 1.00 0.00 N ATOM 457 CA CYS A 34 -4.260 -0.218 -1.489 1.00 0.00 C ATOM 458 C CYS A 34 -5.692 -0.118 -2.037 1.00 0.00 C ATOM 459 O CYS A 34 -6.579 0.429 -1.371 1.00 0.00 O ATOM 460 CB CYS A 34 -4.032 -1.622 -0.901 1.00 0.00 C ATOM 461 SG CYS A 34 -2.808 -1.830 0.415 1.00 0.00 S ATOM 0 H CYS A 34 -4.834 0.806 0.222 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.544 -0.048 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.989 -1.979 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.749 -2.281 -1.722 1.00 0.00 H new ATOM 465 N THR A 35 -5.952 -0.716 -3.199 1.00 0.00 N ATOM 466 CA THR A 35 -7.289 -0.768 -3.821 1.00 0.00 C ATOM 467 C THR A 35 -7.492 -2.095 -4.570 1.00 0.00 C ATOM 468 O THR A 35 -6.510 -2.750 -4.946 1.00 0.00 O ATOM 469 CB THR A 35 -7.552 0.437 -4.762 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.371 1.089 -5.174 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.408 1.508 -4.083 1.00 0.00 C ATOM 0 H THR A 35 -5.234 -1.187 -3.749 1.00 0.00 H new ATOM 0 HA THR A 35 -8.017 -0.706 -3.012 1.00 0.00 H new ATOM 0 HB THR A 35 -8.059 -0.000 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.599 1.837 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.570 2.336 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.369 1.079 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.895 1.873 -3.193 1.00 0.00 H new ATOM 479 N PRO A 36 -8.752 -2.531 -4.769 1.00 0.00 N ATOM 480 CA PRO A 36 -9.064 -3.786 -5.451 1.00 0.00 C ATOM 481 C PRO A 36 -8.753 -3.713 -6.956 1.00 0.00 C ATOM 482 O PRO A 36 -8.593 -2.628 -7.529 1.00 0.00 O ATOM 483 CB PRO A 36 -10.557 -4.027 -5.191 1.00 0.00 C ATOM 484 CG PRO A 36 -11.122 -2.617 -5.053 1.00 0.00 C ATOM 485 CD PRO A 36 -9.987 -1.856 -4.375 1.00 0.00 C ATOM 0 HA PRO A 36 -8.453 -4.607 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.026 -4.569 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.718 -4.615 -4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.374 -2.187 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.032 -2.604 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.977 -0.812 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.106 -1.863 -3.292 1.00 0.00 H new ATOM 490 N LYS A 37 -8.670 -4.886 -7.597 1.00 0.00 N ATOM 491 CA LYS A 37 -8.506 -5.013 -9.054 1.00 0.00 C ATOM 492 C LYS A 37 -9.724 -4.532 -9.866 1.00 0.00 C ATOM 493 O LYS A 37 -9.532 -4.168 -11.043 1.00 0.00 O ATOM 494 CB LYS A 37 -8.084 -6.453 -9.415 1.00 0.00 C ATOM 495 CG LYS A 37 -9.181 -7.503 -9.181 1.00 0.00 C ATOM 496 CD LYS A 37 -8.754 -8.884 -9.705 1.00 0.00 C ATOM 497 CE LYS A 37 -9.974 -9.785 -9.931 1.00 0.00 C ATOM 498 NZ LYS A 37 -10.689 -9.440 -11.193 1.00 0.00 N ATOM 0 H LYS A 37 -8.715 -5.784 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.706 -4.333 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.786 -6.481 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.207 -6.722 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.403 -7.569 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.099 -7.190 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.204 -8.769 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.077 -9.354 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.655 -10.827 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.658 -9.690 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.698 -9.673 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.585 -8.423 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.283 -9.983 -11.982 1.00 0.00 H new