USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 249 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 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.403) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -24.415 -5.555 0.360 1.00 0.00 N ATOM 2 CA LEU A 22 -23.426 -5.505 1.469 1.00 0.00 C ATOM 3 C LEU A 22 -22.848 -4.101 1.630 1.00 0.00 C ATOM 4 O LEU A 22 -23.412 -3.127 1.131 1.00 0.00 O ATOM 5 CB LEU A 22 -22.311 -6.512 1.170 1.00 0.00 C ATOM 6 CG LEU A 22 -22.114 -7.593 2.233 1.00 0.00 C ATOM 7 CD1 LEU A 22 -23.382 -8.416 2.399 1.00 0.00 C ATOM 8 CD2 LEU A 22 -20.939 -8.489 1.870 1.00 0.00 C ATOM 0 HA LEU A 22 -23.921 -5.761 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -22.525 -6.996 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -21.374 -5.968 1.048 1.00 0.00 H new ATOM 0 HG LEU A 22 -21.895 -7.106 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -23.223 -9.180 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.201 -7.765 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.632 -8.894 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -20.813 -9.253 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -21.130 -8.968 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -20.031 -7.889 1.803 1.00 0.00 H new ATOM 22 N TYR A 23 -21.718 -4.002 2.326 1.00 0.00 N ATOM 23 CA TYR A 23 -21.067 -2.709 2.545 1.00 0.00 C ATOM 24 C TYR A 23 -19.613 -2.743 2.084 1.00 0.00 C ATOM 25 O TYR A 23 -19.060 -3.811 1.822 1.00 0.00 O ATOM 26 CB TYR A 23 -21.128 -2.313 4.025 1.00 0.00 C ATOM 27 CG TYR A 23 -22.467 -2.588 4.673 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.525 -1.700 4.528 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.672 -3.735 5.429 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.750 -1.948 5.118 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.894 -3.990 6.022 1.00 0.00 C ATOM 32 CZ TYR A 23 -24.930 -3.094 5.863 1.00 0.00 C ATOM 33 OH TYR A 23 -26.148 -3.343 6.452 1.00 0.00 O ATOM 0 H TYR A 23 -21.235 -4.796 2.747 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.605 -1.966 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.353 -2.853 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.901 -1.251 4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -23.388 -0.801 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -21.863 -4.439 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -25.563 -1.247 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -24.037 -4.887 6.607 1.00 0.00 H new ATOM 0 HH TYR A 23 -26.108 -4.192 6.940 1.00 0.00 H new ATOM 43 N PRO A 24 -18.971 -1.566 1.985 1.00 0.00 N ATOM 44 CA PRO A 24 -17.583 -1.445 1.565 1.00 0.00 C ATOM 45 C PRO A 24 -16.632 -2.106 2.533 1.00 0.00 C ATOM 46 O PRO A 24 -17.033 -2.582 3.595 1.00 0.00 O ATOM 47 CB PRO A 24 -17.345 0.072 1.586 1.00 0.00 C ATOM 48 CG PRO A 24 -18.687 0.658 1.469 1.00 0.00 C ATOM 49 CD PRO A 24 -19.537 -0.248 2.278 1.00 0.00 C ATOM 0 HA PRO A 24 -17.410 -1.922 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.855 0.384 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.703 0.384 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.713 1.679 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.018 0.697 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.484 -0.012 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.586 -0.184 1.989 1.00 0.00 H new ATOM 57 N ASP A 25 -15.360 -2.070 2.188 1.00 0.00 N ATOM 58 CA ASP A 25 -14.336 -2.594 3.050 1.00 0.00 C ATOM 59 C ASP A 25 -14.306 -1.742 4.300 1.00 0.00 C ATOM 60 O ASP A 25 -13.794 -2.141 5.347 1.00 0.00 O ATOM 61 CB ASP A 25 -13.000 -2.528 2.329 1.00 0.00 C ATOM 62 CG ASP A 25 -12.058 -3.647 2.730 1.00 0.00 C ATOM 63 OD1 ASP A 25 -12.255 -4.787 2.259 1.00 0.00 O ATOM 64 OD2 ASP A 25 -11.123 -3.383 3.515 1.00 0.00 O ATOM 0 H ASP A 25 -15.016 -1.680 1.310 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.536 -3.632 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.171 -2.571 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.527 -1.569 2.538 1.00 0.00 H new ATOM 69 N LEU A 26 -14.858 -0.541 4.150 1.00 0.00 N ATOM 70 CA LEU A 26 -14.917 0.433 5.210 1.00 0.00 C ATOM 71 C LEU A 26 -13.516 0.926 5.546 1.00 0.00 C ATOM 72 O LEU A 26 -13.334 1.803 6.390 1.00 0.00 O ATOM 73 CB LEU A 26 -15.618 -0.144 6.442 1.00 0.00 C ATOM 74 CG LEU A 26 -16.958 0.511 6.785 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.673 -0.275 7.873 1.00 0.00 C ATOM 76 CD2 LEU A 26 -16.749 1.954 7.217 1.00 0.00 C ATOM 0 H LEU A 26 -15.278 -0.224 3.276 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.505 1.286 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.781 -1.210 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.952 -0.047 7.300 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.583 0.506 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.624 0.205 8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.855 -1.292 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.053 -0.302 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.712 2.405 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.106 1.981 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.279 2.512 6.407 1.00 0.00 H new ATOM 88 N SER A 27 -12.530 0.359 4.856 1.00 0.00 N ATOM 89 CA SER A 27 -11.146 0.732 5.045 1.00 0.00 C ATOM 90 C SER A 27 -10.368 0.668 3.733 1.00 0.00 C ATOM 91 O SER A 27 -9.139 0.727 3.739 1.00 0.00 O ATOM 92 CB SER A 27 -10.484 -0.167 6.076 1.00 0.00 C ATOM 93 OG SER A 27 -11.187 -0.141 7.306 1.00 0.00 O ATOM 0 H SER A 27 -12.675 -0.368 4.155 1.00 0.00 H new ATOM 0 HA SER A 27 -11.132 1.761 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.444 -1.189 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.455 0.155 6.236 1.00 0.00 H new ATOM 0 HG SER A 27 -10.741 -0.729 7.950 1.00 0.00 H new ATOM 99 N GLU A 28 -11.073 0.564 2.602 1.00 0.00 N ATOM 100 CA GLU A 28 -10.407 0.516 1.307 1.00 0.00 C ATOM 101 C GLU A 28 -9.995 1.930 0.882 1.00 0.00 C ATOM 102 O GLU A 28 -10.124 2.327 -0.276 1.00 0.00 O ATOM 103 CB GLU A 28 -11.311 -0.122 0.254 1.00 0.00 C ATOM 104 CG GLU A 28 -11.119 -1.624 0.129 1.00 0.00 C ATOM 105 CD GLU A 28 -9.998 -1.991 -0.823 1.00 0.00 C ATOM 106 OE1 GLU A 28 -8.832 -1.661 -0.521 1.00 0.00 O ATOM 107 OE2 GLU A 28 -10.285 -2.609 -1.870 1.00 0.00 O ATOM 0 H GLU A 28 -12.091 0.512 2.561 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.513 -0.100 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.351 0.085 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.117 0.344 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.907 -2.043 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.048 -2.078 -0.217 1.00 0.00 H new ATOM 114 N ILE A 29 -9.482 2.653 1.862 1.00 0.00 N ATOM 115 CA ILE A 29 -8.989 4.017 1.744 1.00 0.00 C ATOM 116 C ILE A 29 -8.394 4.292 3.096 1.00 0.00 C ATOM 117 O ILE A 29 -8.702 5.253 3.802 1.00 0.00 O ATOM 118 CB ILE A 29 -10.089 5.044 1.404 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.366 4.743 2.194 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.370 5.044 -0.091 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.870 5.922 2.998 1.00 0.00 C ATOM 0 H ILE A 29 -9.393 2.287 2.810 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.280 4.113 0.922 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.737 6.036 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.146 4.425 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.178 3.907 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.148 5.774 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.461 5.306 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.703 4.053 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.777 5.637 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.107 6.226 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.090 6.753 2.327 1.00 0.00 H new ATOM 133 N LYS A 30 -7.593 3.312 3.433 1.00 0.00 N ATOM 134 CA LYS A 30 -6.916 3.174 4.688 1.00 0.00 C ATOM 135 C LYS A 30 -5.994 1.981 4.531 1.00 0.00 C ATOM 136 O LYS A 30 -4.821 2.020 4.881 1.00 0.00 O ATOM 137 CB LYS A 30 -7.947 2.923 5.783 1.00 0.00 C ATOM 138 CG LYS A 30 -7.545 3.459 7.148 1.00 0.00 C ATOM 139 CD LYS A 30 -7.783 4.958 7.253 1.00 0.00 C ATOM 140 CE LYS A 30 -8.955 5.275 8.169 1.00 0.00 C ATOM 141 NZ LYS A 30 -9.250 6.734 8.209 1.00 0.00 N ATOM 0 H LYS A 30 -7.387 2.544 2.794 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.352 4.066 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.892 3.380 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.123 1.850 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.113 2.945 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.492 3.244 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.883 5.444 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.974 5.367 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.838 4.735 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.734 4.922 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.055 6.908 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.416 7.247 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.486 7.067 7.252 1.00 0.00 H new ATOM 155 N LYS A 31 -6.571 0.946 3.912 1.00 0.00 N ATOM 156 CA LYS A 31 -5.888 -0.274 3.569 1.00 0.00 C ATOM 157 C LYS A 31 -5.010 0.029 2.368 1.00 0.00 C ATOM 158 O LYS A 31 -3.804 -0.208 2.377 1.00 0.00 O ATOM 159 CB LYS A 31 -6.923 -1.340 3.197 1.00 0.00 C ATOM 160 CG LYS A 31 -6.401 -2.763 3.275 1.00 0.00 C ATOM 161 CD LYS A 31 -5.586 -3.118 2.041 1.00 0.00 C ATOM 162 CE LYS A 31 -6.371 -2.885 0.760 1.00 0.00 C ATOM 163 NZ LYS A 31 -5.745 -3.565 -0.407 1.00 0.00 N ATOM 0 H LYS A 31 -7.553 0.949 3.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.289 -0.642 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.783 -1.243 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.278 -1.149 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.785 -2.879 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.237 -3.455 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.675 -2.520 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.281 -4.163 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.391 -3.249 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.437 -1.815 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.455 -3.692 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.961 -2.985 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.382 -4.494 -0.114 1.00 0.00 H new ATOM 177 N GLU A 32 -5.642 0.624 1.355 1.00 0.00 N ATOM 178 CA GLU A 32 -4.946 1.056 0.145 1.00 0.00 C ATOM 179 C GLU A 32 -3.946 2.124 0.533 1.00 0.00 C ATOM 180 O GLU A 32 -2.907 2.304 -0.102 1.00 0.00 O ATOM 181 CB GLU A 32 -5.918 1.631 -0.887 1.00 0.00 C ATOM 182 CG GLU A 32 -7.335 1.152 -0.712 1.00 0.00 C ATOM 183 CD GLU A 32 -7.995 0.759 -2.019 1.00 0.00 C ATOM 184 OE1 GLU A 32 -7.662 -0.320 -2.552 1.00 0.00 O ATOM 185 OE2 GLU A 32 -8.846 1.531 -2.510 1.00 0.00 O ATOM 0 H GLU A 32 -6.643 0.818 1.351 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.452 0.195 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.901 2.719 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.574 1.364 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.342 0.297 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.922 1.938 -0.237 1.00 0.00 H new ATOM 192 N TYR A 33 -4.271 2.794 1.630 1.00 0.00 N ATOM 193 CA TYR A 33 -3.424 3.818 2.198 1.00 0.00 C ATOM 194 C TYR A 33 -2.381 3.121 3.025 1.00 0.00 C ATOM 195 O TYR A 33 -1.276 3.616 3.248 1.00 0.00 O ATOM 196 CB TYR A 33 -4.269 4.741 3.060 1.00 0.00 C ATOM 197 CG TYR A 33 -3.520 5.344 4.216 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.641 6.393 4.019 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.694 4.856 5.498 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.949 6.949 5.077 1.00 0.00 C ATOM 201 CE2 TYR A 33 -3.009 5.402 6.566 1.00 0.00 C ATOM 202 CZ TYR A 33 -2.137 6.451 6.350 1.00 0.00 C ATOM 203 OH TYR A 33 -1.452 7.000 7.409 1.00 0.00 O ATOM 0 H TYR A 33 -5.135 2.637 2.149 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.946 4.420 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.665 5.543 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.124 4.184 3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.493 6.783 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.376 4.036 5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.265 7.768 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.154 5.012 7.562 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.700 6.535 8.235 1.00 0.00 H new ATOM 213 N ASN A 34 -2.769 1.942 3.453 1.00 0.00 N ATOM 214 CA ASN A 34 -1.937 1.093 4.233 1.00 0.00 C ATOM 215 C ASN A 34 -1.040 0.279 3.335 1.00 0.00 C ATOM 216 O ASN A 34 -0.085 -0.353 3.787 1.00 0.00 O ATOM 217 CB ASN A 34 -2.802 0.164 5.059 1.00 0.00 C ATOM 218 CG ASN A 34 -2.205 -0.151 6.416 1.00 0.00 C ATOM 219 OD1 ASN A 34 -0.993 -0.323 6.549 1.00 0.00 O ATOM 220 ND2 ASN A 34 -3.055 -0.231 7.433 1.00 0.00 N ATOM 0 H ASN A 34 -3.691 1.551 3.259 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.320 1.704 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.784 0.617 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.954 -0.766 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.711 -0.442 8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.052 -0.081 7.277 1.00 0.00 H new ATOM 227 N VAL A 35 -1.373 0.282 2.059 1.00 0.00 N ATOM 228 CA VAL A 35 -0.620 -0.474 1.095 1.00 0.00 C ATOM 229 C VAL A 35 0.263 0.414 0.243 1.00 0.00 C ATOM 230 O VAL A 35 1.339 0.011 -0.169 1.00 0.00 O ATOM 231 CB VAL A 35 -1.534 -1.300 0.178 1.00 0.00 C ATOM 232 CG1 VAL A 35 -0.713 -2.147 -0.785 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.474 -2.172 0.996 1.00 0.00 C ATOM 0 H VAL A 35 -2.161 0.801 1.672 1.00 0.00 H new ATOM 0 HA VAL A 35 0.011 -1.150 1.671 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.138 -0.608 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.382 -2.723 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.092 -1.498 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.077 -2.827 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.112 -2.748 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.891 -2.853 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.094 -1.541 1.633 1.00 0.00 H new ATOM 243 N LYS A 36 -0.200 1.618 -0.013 1.00 0.00 N ATOM 244 CA LYS A 36 0.539 2.568 -0.808 1.00 0.00 C ATOM 245 C LYS A 36 1.888 2.836 -0.181 1.00 0.00 C ATOM 246 O LYS A 36 2.863 3.149 -0.859 1.00 0.00 O ATOM 247 CB LYS A 36 -0.237 3.865 -0.918 1.00 0.00 C ATOM 248 CG LYS A 36 -0.699 4.391 0.425 1.00 0.00 C ATOM 249 CD LYS A 36 0.350 5.279 1.072 1.00 0.00 C ATOM 250 CE LYS A 36 0.079 6.750 0.801 1.00 0.00 C ATOM 251 NZ LYS A 36 0.833 7.635 1.731 1.00 0.00 N ATOM 0 H LYS A 36 -1.098 1.964 0.325 1.00 0.00 H new ATOM 0 HA LYS A 36 0.686 2.150 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.387 4.616 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.104 3.710 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.623 4.954 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.925 3.554 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.364 5.103 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.337 5.014 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.354 6.986 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.989 6.946 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.620 8.629 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.553 7.428 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.853 7.467 1.620 1.00 0.00 H new ATOM 265 N GLU A 37 1.913 2.693 1.129 1.00 0.00 N ATOM 266 CA GLU A 37 3.121 2.896 1.914 1.00 0.00 C ATOM 267 C GLU A 37 4.016 1.671 1.803 1.00 0.00 C ATOM 268 O GLU A 37 5.230 1.741 1.988 1.00 0.00 O ATOM 269 CB GLU A 37 2.771 3.162 3.379 1.00 0.00 C ATOM 270 CG GLU A 37 2.067 1.998 4.058 1.00 0.00 C ATOM 271 CD GLU A 37 1.671 2.311 5.487 1.00 0.00 C ATOM 272 OE1 GLU A 37 0.580 2.884 5.689 1.00 0.00 O ATOM 273 OE2 GLU A 37 2.452 1.981 6.405 1.00 0.00 O ATOM 0 H GLU A 37 1.097 2.433 1.683 1.00 0.00 H new ATOM 0 HA GLU A 37 3.652 3.765 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.685 3.392 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.134 4.045 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.177 1.734 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.722 1.127 4.049 1.00 0.00 H new ATOM 280 N LYS A 38 3.384 0.552 1.482 1.00 0.00 N ATOM 281 CA LYS A 38 4.049 -0.714 1.312 1.00 0.00 C ATOM 282 C LYS A 38 4.284 -0.970 -0.141 1.00 0.00 C ATOM 283 O LYS A 38 5.266 -1.583 -0.527 1.00 0.00 O ATOM 284 CB LYS A 38 3.190 -1.814 1.895 1.00 0.00 C ATOM 285 CG LYS A 38 3.731 -3.210 1.658 1.00 0.00 C ATOM 286 CD LYS A 38 2.694 -4.268 1.991 1.00 0.00 C ATOM 287 CE LYS A 38 2.938 -4.877 3.362 1.00 0.00 C ATOM 288 NZ LYS A 38 1.666 -5.268 4.030 1.00 0.00 N ATOM 0 H LYS A 38 2.376 0.506 1.331 1.00 0.00 H new ATOM 0 HA LYS A 38 5.009 -0.693 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.089 -1.652 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.190 -1.745 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.036 -3.312 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.621 -3.366 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.699 -3.825 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.717 -5.052 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.579 -5.753 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.472 -4.161 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.875 -5.679 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.064 -4.428 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.169 -5.970 3.446 1.00 0.00 H new ATOM 302 N ASP A 39 3.391 -0.451 -0.939 1.00 0.00 N ATOM 303 CA ASP A 39 3.511 -0.579 -2.374 1.00 0.00 C ATOM 304 C ASP A 39 4.512 0.445 -2.871 1.00 0.00 C ATOM 305 O ASP A 39 4.658 0.671 -4.072 1.00 0.00 O ATOM 306 CB ASP A 39 2.161 -0.379 -3.043 1.00 0.00 C ATOM 307 CG ASP A 39 1.966 -1.284 -4.245 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.945 -1.500 -4.990 1.00 0.00 O ATOM 309 OD2 ASP A 39 0.835 -1.776 -4.440 1.00 0.00 O ATOM 0 H ASP A 39 2.570 0.066 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 39 3.859 -1.581 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.369 -0.568 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.065 0.661 -3.356 1.00 0.00 H new ATOM 314 N GLN A 40 5.187 1.076 -1.914 1.00 0.00 N ATOM 315 CA GLN A 40 6.162 2.093 -2.208 1.00 0.00 C ATOM 316 C GLN A 40 7.513 1.811 -1.544 1.00 0.00 C ATOM 317 O GLN A 40 8.555 2.220 -2.054 1.00 0.00 O ATOM 318 CB GLN A 40 5.615 3.452 -1.781 1.00 0.00 C ATOM 319 CG GLN A 40 5.669 3.713 -0.283 1.00 0.00 C ATOM 320 CD GLN A 40 6.166 5.107 0.049 1.00 0.00 C ATOM 321 OE1 GLN A 40 5.424 6.084 -0.054 1.00 0.00 O ATOM 322 NE2 GLN A 40 7.428 5.206 0.449 1.00 0.00 N ATOM 0 H GLN A 40 5.066 0.889 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 40 6.342 2.093 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.177 4.233 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.580 3.534 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.675 3.575 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.322 2.977 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.008 4.370 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.818 6.118 0.685 1.00 0.00 H new ATOM 331 N VAL A 41 7.494 1.118 -0.407 1.00 0.00 N ATOM 332 CA VAL A 41 8.729 0.802 0.304 1.00 0.00 C ATOM 333 C VAL A 41 9.458 -0.355 -0.351 1.00 0.00 C ATOM 334 O VAL A 41 10.658 -0.275 -0.601 1.00 0.00 O ATOM 335 CB VAL A 41 8.474 0.492 1.784 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.749 0.033 2.477 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.886 1.705 2.488 1.00 0.00 C ATOM 0 H VAL A 41 6.645 0.768 0.037 1.00 0.00 H new ATOM 0 HA VAL A 41 9.359 1.690 0.249 1.00 0.00 H new ATOM 0 HB VAL A 41 7.753 -0.324 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.537 -0.179 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.122 -0.869 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.502 0.818 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.711 1.467 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.582 2.540 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.942 1.978 2.016 1.00 0.00 H new ATOM 347 N GLU A 42 8.728 -1.423 -0.639 1.00 0.00 N ATOM 348 CA GLU A 42 9.322 -2.596 -1.295 1.00 0.00 C ATOM 349 C GLU A 42 10.267 -2.136 -2.404 1.00 0.00 C ATOM 350 O GLU A 42 11.292 -2.764 -2.672 1.00 0.00 O ATOM 351 CB GLU A 42 8.263 -3.552 -1.888 1.00 0.00 C ATOM 352 CG GLU A 42 6.811 -3.113 -1.734 1.00 0.00 C ATOM 353 CD GLU A 42 5.878 -3.866 -2.662 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.871 -5.113 -2.612 1.00 0.00 O ATOM 355 OE2 GLU A 42 5.156 -3.207 -3.440 1.00 0.00 O ATOM 0 H GLU A 42 7.732 -1.509 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 42 9.866 -3.150 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.473 -3.682 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.379 -4.529 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.495 -3.267 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.734 -2.044 -1.935 1.00 0.00 H new ATOM 362 N ASP A 43 9.912 -1.012 -3.023 1.00 0.00 N ATOM 363 CA ASP A 43 10.713 -0.418 -4.084 1.00 0.00 C ATOM 364 C ASP A 43 12.095 -0.089 -3.580 1.00 0.00 C ATOM 365 O ASP A 43 13.101 -0.364 -4.231 1.00 0.00 O ATOM 366 CB ASP A 43 10.047 0.864 -4.575 1.00 0.00 C ATOM 367 CG ASP A 43 9.383 0.699 -5.928 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.135 -0.457 -6.331 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.110 1.726 -6.585 1.00 0.00 O ATOM 0 H ASP A 43 9.063 -0.491 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 43 10.790 -1.135 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.302 1.183 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.794 1.656 -4.636 1.00 0.00 H new ATOM 374 N LEU A 44 12.129 0.512 -2.412 1.00 0.00 N ATOM 375 CA LEU A 44 13.373 0.903 -1.798 1.00 0.00 C ATOM 376 C LEU A 44 14.171 -0.300 -1.311 1.00 0.00 C ATOM 377 O LEU A 44 15.074 -0.180 -0.484 1.00 0.00 O ATOM 378 CB LEU A 44 13.124 1.899 -0.676 1.00 0.00 C ATOM 379 CG LEU A 44 12.917 3.324 -1.179 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.537 3.837 -0.795 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.003 4.249 -0.649 1.00 0.00 C ATOM 0 H LEU A 44 11.299 0.741 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 44 13.980 1.393 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.246 1.588 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.969 1.882 0.012 1.00 0.00 H new ATOM 0 HG LEU A 44 12.984 3.311 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.412 4.855 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.774 3.195 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.435 3.829 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.834 5.259 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.976 4.255 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.978 3.896 -0.986 1.00 0.00 H new ATOM 393 N ASN A 45 13.841 -1.449 -1.870 1.00 0.00 N ATOM 394 CA ASN A 45 14.513 -2.699 -1.568 1.00 0.00 C ATOM 395 C ASN A 45 14.651 -3.502 -2.855 1.00 0.00 C ATOM 396 O ASN A 45 15.667 -4.154 -3.096 1.00 0.00 O ATOM 397 CB ASN A 45 13.730 -3.487 -0.517 1.00 0.00 C ATOM 398 CG ASN A 45 14.459 -3.564 0.810 1.00 0.00 C ATOM 399 OD1 ASN A 45 14.244 -2.740 1.699 1.00 0.00 O ATOM 400 ND2 ASN A 45 15.328 -4.559 0.951 1.00 0.00 N ATOM 0 H ASN A 45 13.090 -1.542 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 45 15.503 -2.497 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.757 -3.020 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.546 -4.496 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.848 -4.662 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.475 -5.220 0.188 1.00 0.00 H new ATOM 407 N LEU A 46 13.625 -3.407 -3.695 1.00 0.00 N ATOM 408 CA LEU A 46 13.613 -4.071 -4.985 1.00 0.00 C ATOM 409 C LEU A 46 13.490 -3.017 -6.072 1.00 0.00 C ATOM 410 O LEU A 46 12.708 -3.145 -7.015 1.00 0.00 O ATOM 411 CB LEU A 46 12.463 -5.073 -5.074 1.00 0.00 C ATOM 412 CG LEU A 46 12.762 -6.455 -4.492 1.00 0.00 C ATOM 413 CD1 LEU A 46 11.473 -7.157 -4.093 1.00 0.00 C ATOM 414 CD2 LEU A 46 13.542 -7.296 -5.492 1.00 0.00 C ATOM 0 H LEU A 46 12.782 -2.868 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 46 14.541 -4.628 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.598 -4.657 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.183 -5.189 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 46 13.373 -6.328 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.706 -8.139 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.952 -6.563 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.836 -7.273 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.746 -8.276 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.956 -7.415 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.483 -6.800 -5.728 1.00 0.00 H new ATOM 426 N ASP A 47 14.284 -1.971 -5.907 1.00 0.00 N ATOM 427 CA ASP A 47 14.321 -0.851 -6.826 1.00 0.00 C ATOM 428 C ASP A 47 15.267 0.237 -6.320 1.00 0.00 C ATOM 429 O ASP A 47 15.857 0.975 -7.107 1.00 0.00 O ATOM 430 CB ASP A 47 12.925 -0.264 -7.025 1.00 0.00 C ATOM 431 CG ASP A 47 12.259 -0.761 -8.293 1.00 0.00 C ATOM 432 OD1 ASP A 47 12.803 -0.506 -9.388 1.00 0.00 O ATOM 433 OD2 ASP A 47 11.194 -1.405 -8.191 1.00 0.00 O ATOM 0 H ASP A 47 14.927 -1.877 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 47 14.688 -1.222 -7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.302 -0.519 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.993 0.823 -7.057 1.00 0.00 H new ATOM 438 N SER A 48 15.406 0.331 -5.000 1.00 0.00 N ATOM 439 CA SER A 48 16.285 1.332 -4.399 1.00 0.00 C ATOM 440 C SER A 48 17.715 1.077 -4.822 1.00 0.00 C ATOM 441 O SER A 48 18.462 2.000 -5.143 1.00 0.00 O ATOM 442 CB SER A 48 16.205 1.305 -2.873 1.00 0.00 C ATOM 443 OG SER A 48 17.449 1.646 -2.283 1.00 0.00 O ATOM 0 H SER A 48 14.925 -0.269 -4.330 1.00 0.00 H new ATOM 0 HA SER A 48 15.957 2.312 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.437 2.001 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.903 0.312 -2.541 1.00 0.00 H new ATOM 0 HG SER A 48 17.366 1.622 -1.307 1.00 0.00 H new ATOM 449 N LEU A 49 18.081 -0.197 -4.832 1.00 0.00 N ATOM 450 CA LEU A 49 19.422 -0.598 -5.235 1.00 0.00 C ATOM 451 C LEU A 49 19.494 -0.713 -6.755 1.00 0.00 C ATOM 452 O LEU A 49 20.405 -1.321 -7.316 1.00 0.00 O ATOM 453 CB LEU A 49 19.790 -1.922 -4.559 1.00 0.00 C ATOM 454 CG LEU A 49 19.509 -3.185 -5.381 1.00 0.00 C ATOM 455 CD1 LEU A 49 20.803 -3.765 -5.932 1.00 0.00 C ATOM 456 CD2 LEU A 49 18.773 -4.219 -4.540 1.00 0.00 C ATOM 0 H LEU A 49 17.470 -0.969 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 49 20.142 0.157 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.851 -1.900 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.244 -1.993 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 49 18.872 -2.911 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 49 20.582 -4.661 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.288 -3.028 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 49 21.467 -4.022 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 49 18.583 -5.108 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.383 -4.488 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.825 -3.802 -4.198 1.00 0.00 H new ATOM 468 N TRP A 50 18.499 -0.123 -7.394 1.00 0.00 N ATOM 469 CA TRP A 50 18.364 -0.123 -8.838 1.00 0.00 C ATOM 470 C TRP A 50 18.386 1.307 -9.367 1.00 0.00 C ATOM 471 O TRP A 50 18.517 1.544 -10.568 1.00 0.00 O ATOM 472 CB TRP A 50 17.034 -0.775 -9.213 1.00 0.00 C ATOM 473 CG TRP A 50 16.762 -2.058 -8.487 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.814 -2.263 -7.141 1.00 0.00 C ATOM 475 CD2 TRP A 50 16.374 -3.304 -9.067 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.503 -3.570 -6.849 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.228 -4.229 -8.017 1.00 0.00 C ATOM 478 CE3 TRP A 50 16.143 -3.726 -10.373 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.861 -5.554 -8.239 1.00 0.00 C ATOM 480 CZ3 TRP A 50 15.776 -5.040 -10.596 1.00 0.00 C ATOM 481 CH2 TRP A 50 15.640 -5.942 -9.533 1.00 0.00 C ATOM 0 H TRP A 50 17.750 0.378 -6.915 1.00 0.00 H new ATOM 0 HA TRP A 50 19.193 -0.678 -9.276 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.226 -0.074 -9.007 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.024 -0.967 -10.286 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.063 -1.508 -6.410 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.481 -3.981 -5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 50 16.249 -3.038 -11.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.755 -6.250 -7.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 15.591 -5.376 -11.606 1.00 0.00 H new ATOM 0 HH2 TRP A 50 15.355 -6.963 -9.738 1.00 0.00 H new ATOM 492 N GLU A 51 18.234 2.247 -8.446 1.00 0.00 N ATOM 493 CA GLU A 51 18.206 3.661 -8.761 1.00 0.00 C ATOM 494 C GLU A 51 19.595 4.174 -9.137 1.00 0.00 C ATOM 495 O GLU A 51 20.530 3.349 -9.210 1.00 0.00 O ATOM 496 CB GLU A 51 17.655 4.411 -7.547 1.00 0.00 C ATOM 497 CG GLU A 51 18.681 4.624 -6.449 1.00 0.00 C ATOM 498 CD GLU A 51 18.056 5.077 -5.144 1.00 0.00 C ATOM 499 OE1 GLU A 51 17.440 6.164 -5.126 1.00 0.00 O ATOM 500 OE2 GLU A 51 18.181 4.345 -4.140 1.00 0.00 O ATOM 501 OXT GLU A 51 19.735 5.396 -9.355 1.00 0.00 O ATOM 0 H GLU A 51 18.126 2.045 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 51 17.564 3.830 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.275 5.380 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.809 3.856 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.227 3.695 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.408 5.367 -6.776 1.00 0.00 H new TER 508 GLU A 51