USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.151! USER MOD Single : A 9 ASN : amide:sc= -3.93! C(o=-3.9!,f=-15!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 179:sc= -0.0119 (180deg=-0.0126) USER MOD Single : A 14 GLN : amide:sc=-0.00889 X(o=-0.0089,f=-0.22) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 21 CYS SG : rot -130:sc= -1.73 USER MOD Single : A 23 GLN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0501) USER MOD Single : A 32 GLN : amide:sc= -0.0962 K(o=-0.096,f=-1.6) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0019 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -166:sc= 0 (180deg=-0.15) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.717 23.436 1.671 1.00 0.00 N ATOM 2 CA GLY A 1 -11.537 22.675 2.894 1.00 0.00 C ATOM 3 C GLY A 1 -10.881 23.488 3.992 1.00 0.00 C ATOM 4 O GLY A 1 -11.462 23.686 5.059 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.169 22.836 0.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.320 24.262 1.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.791 23.757 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.506 22.317 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.928 21.795 2.685 1.00 0.00 H new ATOM 8 N SER A 2 -9.666 23.960 3.731 1.00 0.00 N ATOM 9 CA SER A 2 -8.927 24.752 4.708 1.00 0.00 C ATOM 10 C SER A 2 -8.780 23.993 6.023 1.00 0.00 C ATOM 11 O SER A 2 -8.964 24.557 7.102 1.00 0.00 O ATOM 12 CB SER A 2 -9.634 26.087 4.953 1.00 0.00 C ATOM 13 OG SER A 2 -9.169 27.082 4.057 1.00 0.00 O ATOM 0 H SER A 2 -9.172 23.808 2.851 1.00 0.00 H new ATOM 0 HA SER A 2 -7.932 24.944 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.710 25.960 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.463 26.409 5.980 1.00 0.00 H new ATOM 0 HG SER A 2 -9.637 27.925 4.233 1.00 0.00 H new ATOM 19 N SER A 3 -8.448 22.710 5.924 1.00 0.00 N ATOM 20 CA SER A 3 -8.279 21.871 7.105 1.00 0.00 C ATOM 21 C SER A 3 -6.958 21.110 7.047 1.00 0.00 C ATOM 22 O SER A 3 -6.290 21.081 6.014 1.00 0.00 O ATOM 23 CB SER A 3 -9.443 20.885 7.227 1.00 0.00 C ATOM 24 OG SER A 3 -9.621 20.470 8.570 1.00 0.00 O ATOM 0 H SER A 3 -8.291 22.229 5.039 1.00 0.00 H new ATOM 0 HA SER A 3 -8.267 22.519 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.358 21.351 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.255 20.016 6.596 1.00 0.00 H new ATOM 0 HG SER A 3 -10.372 19.842 8.622 1.00 0.00 H new ATOM 30 N GLY A 4 -6.586 20.495 8.166 1.00 0.00 N ATOM 31 CA GLY A 4 -5.346 19.743 8.222 1.00 0.00 C ATOM 32 C GLY A 4 -5.578 18.258 8.422 1.00 0.00 C ATOM 33 O GLY A 4 -5.643 17.780 9.555 1.00 0.00 O ATOM 0 H GLY A 4 -7.121 20.504 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.788 19.899 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.730 20.124 9.036 1.00 0.00 H new ATOM 37 N SER A 5 -5.704 17.527 7.319 1.00 0.00 N ATOM 38 CA SER A 5 -5.935 16.088 7.379 1.00 0.00 C ATOM 39 C SER A 5 -4.892 15.406 8.260 1.00 0.00 C ATOM 40 O SER A 5 -3.730 15.811 8.292 1.00 0.00 O ATOM 41 CB SER A 5 -5.903 15.487 5.972 1.00 0.00 C ATOM 42 OG SER A 5 -6.318 14.132 5.987 1.00 0.00 O ATOM 0 H SER A 5 -5.650 17.907 6.374 1.00 0.00 H new ATOM 0 HA SER A 5 -6.919 15.920 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.553 16.062 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.894 15.557 5.566 1.00 0.00 H new ATOM 0 HG SER A 5 -6.290 13.771 5.076 1.00 0.00 H new ATOM 48 N SER A 6 -5.318 14.369 8.974 1.00 0.00 N ATOM 49 CA SER A 6 -4.423 13.632 9.859 1.00 0.00 C ATOM 50 C SER A 6 -4.652 12.129 9.733 1.00 0.00 C ATOM 51 O SER A 6 -5.779 11.650 9.844 1.00 0.00 O ATOM 52 CB SER A 6 -4.631 14.072 11.310 1.00 0.00 C ATOM 53 OG SER A 6 -5.829 13.531 11.840 1.00 0.00 O ATOM 0 H SER A 6 -6.276 14.020 8.957 1.00 0.00 H new ATOM 0 HA SER A 6 -3.397 13.851 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.784 13.751 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.665 15.160 11.362 1.00 0.00 H new ATOM 0 HG SER A 6 -6.092 12.745 11.317 1.00 0.00 H new ATOM 59 N GLY A 7 -3.571 11.390 9.500 1.00 0.00 N ATOM 60 CA GLY A 7 -3.673 9.949 9.363 1.00 0.00 C ATOM 61 C GLY A 7 -3.140 9.454 8.033 1.00 0.00 C ATOM 62 O GLY A 7 -2.680 10.243 7.208 1.00 0.00 O ATOM 0 H GLY A 7 -2.627 11.764 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.122 9.470 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.716 9.650 9.467 1.00 0.00 H new ATOM 66 N VAL A 8 -3.198 8.142 7.825 1.00 0.00 N ATOM 67 CA VAL A 8 -2.716 7.542 6.587 1.00 0.00 C ATOM 68 C VAL A 8 -3.519 8.036 5.389 1.00 0.00 C ATOM 69 O VAL A 8 -4.726 8.250 5.484 1.00 0.00 O ATOM 70 CB VAL A 8 -2.789 6.005 6.643 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.961 5.390 5.524 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.325 5.499 8.000 1.00 0.00 C ATOM 0 H VAL A 8 -3.574 7.475 8.498 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.675 7.844 6.472 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.827 5.702 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.024 4.303 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.344 5.727 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.921 5.698 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.383 4.411 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.295 5.811 8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.964 5.912 8.780 1.00 0.00 H new ATOM 82 N ASN A 9 -2.839 8.212 4.260 1.00 0.00 N ATOM 83 CA ASN A 9 -3.489 8.681 3.042 1.00 0.00 C ATOM 84 C ASN A 9 -4.535 7.678 2.563 1.00 0.00 C ATOM 85 O ASN A 9 -4.226 6.509 2.327 1.00 0.00 O ATOM 86 CB ASN A 9 -2.451 8.916 1.943 1.00 0.00 C ATOM 87 CG ASN A 9 -3.048 9.579 0.716 1.00 0.00 C ATOM 88 OD1 ASN A 9 -4.191 9.311 0.346 1.00 0.00 O ATOM 89 ND2 ASN A 9 -2.274 10.449 0.079 1.00 0.00 N ATOM 0 H ASN A 9 -1.839 8.037 4.164 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.990 9.623 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.647 9.539 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.006 7.963 1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.621 10.926 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.333 10.640 0.422 1.00 0.00 H new ATOM 96 N ARG A 10 -5.772 8.142 2.421 1.00 0.00 N ATOM 97 CA ARG A 10 -6.863 7.286 1.972 1.00 0.00 C ATOM 98 C ARG A 10 -6.811 7.090 0.459 1.00 0.00 C ATOM 99 O ARG A 10 -6.837 5.961 -0.030 1.00 0.00 O ATOM 100 CB ARG A 10 -8.210 7.888 2.373 1.00 0.00 C ATOM 101 CG ARG A 10 -9.393 6.978 2.087 1.00 0.00 C ATOM 102 CD ARG A 10 -10.627 7.406 2.868 1.00 0.00 C ATOM 103 NE ARG A 10 -10.646 6.840 4.214 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.542 7.171 5.137 1.00 0.00 C ATOM 105 NH1 ARG A 10 -12.488 8.057 4.860 1.00 0.00 N ATOM 106 NH2 ARG A 10 -11.494 6.613 6.340 1.00 0.00 N ATOM 0 H ARG A 10 -6.044 9.107 2.611 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.751 6.314 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.191 8.122 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.350 8.830 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.614 6.991 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.135 5.951 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.657 8.494 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.522 7.094 2.331 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.933 6.153 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.529 8.487 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.175 8.309 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.769 5.929 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.182 6.868 7.048 1.00 0.00 H new ATOM 120 N GLN A 11 -6.739 8.196 -0.274 1.00 0.00 N ATOM 121 CA GLN A 11 -6.686 8.145 -1.730 1.00 0.00 C ATOM 122 C GLN A 11 -5.605 7.177 -2.201 1.00 0.00 C ATOM 123 O GLN A 11 -5.823 6.388 -3.120 1.00 0.00 O ATOM 124 CB GLN A 11 -6.423 9.539 -2.301 1.00 0.00 C ATOM 125 CG GLN A 11 -7.592 10.496 -2.133 1.00 0.00 C ATOM 126 CD GLN A 11 -7.186 11.948 -2.297 1.00 0.00 C ATOM 127 OE1 GLN A 11 -7.195 12.485 -3.405 1.00 0.00 O ATOM 128 NE2 GLN A 11 -6.827 12.591 -1.193 1.00 0.00 N ATOM 0 H GLN A 11 -6.716 9.138 0.116 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.650 7.788 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.545 9.962 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.187 9.450 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.363 10.254 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.033 10.355 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.834 12.107 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.544 13.570 -1.242 1.00 0.00 H new ATOM 137 N MET A 12 -4.440 7.244 -1.566 1.00 0.00 N ATOM 138 CA MET A 12 -3.326 6.372 -1.920 1.00 0.00 C ATOM 139 C MET A 12 -3.647 4.918 -1.590 1.00 0.00 C ATOM 140 O MET A 12 -3.157 3.999 -2.248 1.00 0.00 O ATOM 141 CB MET A 12 -2.057 6.806 -1.184 1.00 0.00 C ATOM 142 CG MET A 12 -1.582 8.200 -1.562 1.00 0.00 C ATOM 143 SD MET A 12 -0.453 8.191 -2.968 1.00 0.00 S ATOM 144 CE MET A 12 0.969 9.025 -2.266 1.00 0.00 C ATOM 0 H MET A 12 -4.243 7.893 -0.804 1.00 0.00 H new ATOM 0 HA MET A 12 -3.160 6.454 -2.994 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.240 6.772 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.262 6.091 -1.394 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.445 8.822 -1.798 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.086 8.655 -0.705 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.762 9.081 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.686 10.032 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.325 8.469 -1.398 1.00 0.00 H new ATOM 154 N LEU A 13 -4.472 4.716 -0.569 1.00 0.00 N ATOM 155 CA LEU A 13 -4.858 3.373 -0.151 1.00 0.00 C ATOM 156 C LEU A 13 -5.838 2.755 -1.143 1.00 0.00 C ATOM 157 O LEU A 13 -5.635 1.637 -1.616 1.00 0.00 O ATOM 158 CB LEU A 13 -5.483 3.411 1.244 1.00 0.00 C ATOM 159 CG LEU A 13 -5.875 2.059 1.841 1.00 0.00 C ATOM 160 CD1 LEU A 13 -7.232 1.617 1.316 1.00 0.00 C ATOM 161 CD2 LEU A 13 -4.815 1.012 1.533 1.00 0.00 C ATOM 0 H LEU A 13 -4.887 5.465 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.960 2.756 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.780 3.895 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.372 4.040 1.205 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.945 2.168 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.494 0.653 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.986 2.356 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.190 1.525 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.111 0.056 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.712 0.905 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.861 1.323 1.959 1.00 0.00 H new ATOM 173 N GLN A 14 -6.899 3.492 -1.455 1.00 0.00 N ATOM 174 CA GLN A 14 -7.910 3.017 -2.392 1.00 0.00 C ATOM 175 C GLN A 14 -7.276 2.621 -3.722 1.00 0.00 C ATOM 176 O GLN A 14 -7.856 1.857 -4.493 1.00 0.00 O ATOM 177 CB GLN A 14 -8.972 4.094 -2.621 1.00 0.00 C ATOM 178 CG GLN A 14 -10.302 3.544 -3.109 1.00 0.00 C ATOM 179 CD GLN A 14 -11.165 3.016 -1.980 1.00 0.00 C ATOM 180 OE1 GLN A 14 -11.384 3.698 -0.979 1.00 0.00 O ATOM 181 NE2 GLN A 14 -11.661 1.794 -2.136 1.00 0.00 N ATOM 0 H GLN A 14 -7.081 4.420 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.384 2.136 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.133 4.637 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.597 4.813 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.843 4.328 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.119 2.744 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.454 1.264 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.249 1.386 -1.409 1.00 0.00 H new ATOM 190 N GLU A 15 -6.083 3.146 -3.983 1.00 0.00 N ATOM 191 CA GLU A 15 -5.372 2.847 -5.221 1.00 0.00 C ATOM 192 C GLU A 15 -4.487 1.616 -5.056 1.00 0.00 C ATOM 193 O GLU A 15 -4.627 0.634 -5.786 1.00 0.00 O ATOM 194 CB GLU A 15 -4.523 4.046 -5.649 1.00 0.00 C ATOM 195 CG GLU A 15 -3.628 3.762 -6.843 1.00 0.00 C ATOM 196 CD GLU A 15 -4.405 3.282 -8.053 1.00 0.00 C ATOM 197 OE1 GLU A 15 -4.892 4.135 -8.824 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.526 2.051 -8.229 1.00 0.00 O ATOM 0 H GLU A 15 -5.589 3.780 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.112 2.640 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.182 4.880 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.904 4.361 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.079 4.667 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.890 3.009 -6.568 1.00 0.00 H new ATOM 205 N LEU A 16 -3.574 1.676 -4.092 1.00 0.00 N ATOM 206 CA LEU A 16 -2.664 0.566 -3.831 1.00 0.00 C ATOM 207 C LEU A 16 -3.437 -0.703 -3.488 1.00 0.00 C ATOM 208 O LEU A 16 -2.977 -1.814 -3.753 1.00 0.00 O ATOM 209 CB LEU A 16 -1.711 0.921 -2.687 1.00 0.00 C ATOM 210 CG LEU A 16 -2.198 0.581 -1.278 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.979 -0.894 -0.980 1.00 0.00 C ATOM 212 CD2 LEU A 16 -1.489 1.446 -0.246 1.00 0.00 C ATOM 0 H LEU A 16 -3.445 2.481 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.085 0.383 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.765 0.407 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.506 1.991 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.267 0.787 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.331 -1.118 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.532 -1.497 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.916 -1.126 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.848 1.191 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.415 1.271 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.696 2.497 -0.448 1.00 0.00 H new ATOM 224 N VAL A 17 -4.616 -0.531 -2.899 1.00 0.00 N ATOM 225 CA VAL A 17 -5.455 -1.662 -2.523 1.00 0.00 C ATOM 226 C VAL A 17 -6.086 -2.311 -3.750 1.00 0.00 C ATOM 227 O VAL A 17 -6.180 -3.534 -3.840 1.00 0.00 O ATOM 228 CB VAL A 17 -6.571 -1.235 -1.551 1.00 0.00 C ATOM 229 CG1 VAL A 17 -7.688 -0.523 -2.300 1.00 0.00 C ATOM 230 CG2 VAL A 17 -7.110 -2.440 -0.795 1.00 0.00 C ATOM 0 H VAL A 17 -5.012 0.381 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.807 -2.384 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.150 -0.539 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.467 -0.229 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.289 0.364 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.109 -1.194 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.897 -2.119 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.515 -3.162 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.304 -2.903 -0.226 1.00 0.00 H new ATOM 240 N ASN A 18 -6.517 -1.481 -4.695 1.00 0.00 N ATOM 241 CA ASN A 18 -7.140 -1.973 -5.919 1.00 0.00 C ATOM 242 C ASN A 18 -6.240 -2.989 -6.616 1.00 0.00 C ATOM 243 O ASN A 18 -6.700 -4.044 -7.053 1.00 0.00 O ATOM 244 CB ASN A 18 -7.443 -0.810 -6.865 1.00 0.00 C ATOM 245 CG ASN A 18 -8.649 -1.079 -7.744 1.00 0.00 C ATOM 246 OD1 ASN A 18 -8.634 -1.987 -8.576 1.00 0.00 O ATOM 247 ND2 ASN A 18 -9.701 -0.290 -7.564 1.00 0.00 N ATOM 0 H ASN A 18 -6.446 -0.465 -4.637 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.074 -2.466 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.617 0.094 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.573 -0.621 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.541 -0.424 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.669 0.450 -6.863 1.00 0.00 H new ATOM 254 N ALA A 19 -4.955 -2.664 -6.715 1.00 0.00 N ATOM 255 CA ALA A 19 -3.991 -3.548 -7.357 1.00 0.00 C ATOM 256 C ALA A 19 -4.082 -4.962 -6.792 1.00 0.00 C ATOM 257 O ALA A 19 -3.964 -5.943 -7.525 1.00 0.00 O ATOM 258 CB ALA A 19 -2.581 -3.001 -7.190 1.00 0.00 C ATOM 0 H ALA A 19 -4.558 -1.795 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.228 -3.593 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.871 -3.671 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.517 -2.013 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.343 -2.926 -6.129 1.00 0.00 H new ATOM 264 N GLY A 20 -4.291 -5.058 -5.482 1.00 0.00 N ATOM 265 CA GLY A 20 -4.394 -6.356 -4.841 1.00 0.00 C ATOM 266 C GLY A 20 -3.637 -6.416 -3.529 1.00 0.00 C ATOM 267 O GLY A 20 -3.112 -7.466 -3.155 1.00 0.00 O ATOM 0 H GLY A 20 -4.391 -4.261 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.444 -6.587 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.009 -7.122 -5.514 1.00 0.00 H new ATOM 271 N CYS A 21 -3.579 -5.289 -2.830 1.00 0.00 N ATOM 272 CA CYS A 21 -2.878 -5.217 -1.552 1.00 0.00 C ATOM 273 C CYS A 21 -3.867 -5.151 -0.393 1.00 0.00 C ATOM 274 O CYS A 21 -4.790 -4.336 -0.396 1.00 0.00 O ATOM 275 CB CYS A 21 -1.956 -3.997 -1.522 1.00 0.00 C ATOM 276 SG CYS A 21 -0.286 -4.319 -2.136 1.00 0.00 S ATOM 0 H CYS A 21 -4.008 -4.412 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.278 -6.120 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.404 -3.202 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.891 -3.629 -0.498 1.00 0.00 H new ATOM 0 HG CYS A 21 0.585 -3.872 -1.280 1.00 0.00 H new ATOM 282 N ASP A 22 -3.668 -6.015 0.597 1.00 0.00 N ATOM 283 CA ASP A 22 -4.542 -6.056 1.763 1.00 0.00 C ATOM 284 C ASP A 22 -4.976 -4.650 2.167 1.00 0.00 C ATOM 285 O ASP A 22 -4.285 -3.672 1.883 1.00 0.00 O ATOM 286 CB ASP A 22 -3.835 -6.740 2.933 1.00 0.00 C ATOM 287 CG ASP A 22 -4.069 -8.238 2.956 1.00 0.00 C ATOM 288 OD1 ASP A 22 -5.147 -8.677 2.502 1.00 0.00 O ATOM 289 OD2 ASP A 22 -3.175 -8.971 3.427 1.00 0.00 O ATOM 0 H ASP A 22 -2.909 -6.696 0.615 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.431 -6.630 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.765 -6.543 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.186 -6.306 3.869 1.00 0.00 H new ATOM 294 N GLN A 23 -6.125 -4.558 2.828 1.00 0.00 N ATOM 295 CA GLN A 23 -6.652 -3.271 3.268 1.00 0.00 C ATOM 296 C GLN A 23 -6.065 -2.877 4.620 1.00 0.00 C ATOM 297 O GLN A 23 -5.256 -1.954 4.710 1.00 0.00 O ATOM 298 CB GLN A 23 -8.178 -3.324 3.357 1.00 0.00 C ATOM 299 CG GLN A 23 -8.832 -1.953 3.414 1.00 0.00 C ATOM 300 CD GLN A 23 -8.716 -1.307 4.780 1.00 0.00 C ATOM 301 OE1 GLN A 23 -8.857 -1.971 5.808 1.00 0.00 O ATOM 302 NE2 GLN A 23 -8.457 -0.005 4.800 1.00 0.00 N ATOM 0 H GLN A 23 -6.709 -5.358 3.071 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.364 -2.518 2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.565 -3.867 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.462 -3.890 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.372 -1.304 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.885 -2.046 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.348 0.507 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.367 0.484 5.691 1.00 0.00 H new ATOM 311 N GLU A 24 -6.479 -3.583 5.668 1.00 0.00 N ATOM 312 CA GLU A 24 -5.995 -3.304 7.015 1.00 0.00 C ATOM 313 C GLU A 24 -4.470 -3.241 7.043 1.00 0.00 C ATOM 314 O GLU A 24 -3.884 -2.486 7.817 1.00 0.00 O ATOM 315 CB GLU A 24 -6.490 -4.375 7.990 1.00 0.00 C ATOM 316 CG GLU A 24 -5.888 -5.748 7.743 1.00 0.00 C ATOM 317 CD GLU A 24 -6.630 -6.526 6.674 1.00 0.00 C ATOM 318 OE1 GLU A 24 -7.707 -7.078 6.981 1.00 0.00 O ATOM 319 OE2 GLU A 24 -6.133 -6.583 5.530 1.00 0.00 O ATOM 0 H GLU A 24 -7.147 -4.351 5.610 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.387 -2.334 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.257 -4.063 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.575 -4.445 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.845 -5.635 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.896 -6.317 8.673 1.00 0.00 H new ATOM 326 N MET A 25 -3.835 -4.041 6.192 1.00 0.00 N ATOM 327 CA MET A 25 -2.379 -4.076 6.118 1.00 0.00 C ATOM 328 C MET A 25 -1.843 -2.854 5.378 1.00 0.00 C ATOM 329 O MET A 25 -1.074 -2.070 5.932 1.00 0.00 O ATOM 330 CB MET A 25 -1.913 -5.355 5.420 1.00 0.00 C ATOM 331 CG MET A 25 -0.401 -5.489 5.345 1.00 0.00 C ATOM 332 SD MET A 25 0.297 -6.310 6.791 1.00 0.00 S ATOM 333 CE MET A 25 1.448 -7.442 6.016 1.00 0.00 C ATOM 0 H MET A 25 -4.306 -4.673 5.545 1.00 0.00 H new ATOM 0 HA MET A 25 -1.988 -4.063 7.135 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.320 -6.217 5.949 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.322 -5.378 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.134 -6.050 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.043 -4.499 5.245 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.959 -8.023 6.783 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.905 -8.115 5.353 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.181 -6.878 5.440 1.00 0.00 H new ATOM 343 N ALA A 26 -2.254 -2.701 4.124 1.00 0.00 N ATOM 344 CA ALA A 26 -1.816 -1.574 3.309 1.00 0.00 C ATOM 345 C ALA A 26 -1.664 -0.313 4.153 1.00 0.00 C ATOM 346 O ALA A 26 -0.574 0.249 4.255 1.00 0.00 O ATOM 347 CB ALA A 26 -2.796 -1.334 2.170 1.00 0.00 C ATOM 0 H ALA A 26 -2.889 -3.343 3.650 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.840 -1.819 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.457 -0.490 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.852 -2.225 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.782 -1.115 2.579 1.00 0.00 H new ATOM 353 N GLY A 27 -2.764 0.127 4.756 1.00 0.00 N ATOM 354 CA GLY A 27 -2.731 1.319 5.582 1.00 0.00 C ATOM 355 C GLY A 27 -1.447 1.437 6.380 1.00 0.00 C ATOM 356 O GLY A 27 -0.758 2.455 6.314 1.00 0.00 O ATOM 0 H GLY A 27 -3.678 -0.321 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.844 2.199 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.580 1.307 6.265 1.00 0.00 H new ATOM 360 N ARG A 28 -1.124 0.393 7.136 1.00 0.00 N ATOM 361 CA ARG A 28 0.084 0.384 7.952 1.00 0.00 C ATOM 362 C ARG A 28 1.300 0.793 7.126 1.00 0.00 C ATOM 363 O ARG A 28 2.020 1.725 7.483 1.00 0.00 O ATOM 364 CB ARG A 28 0.307 -1.003 8.557 1.00 0.00 C ATOM 365 CG ARG A 28 -0.389 -1.204 9.893 1.00 0.00 C ATOM 366 CD ARG A 28 -1.851 -1.579 9.708 1.00 0.00 C ATOM 367 NE ARG A 28 -2.480 -1.969 10.968 1.00 0.00 N ATOM 368 CZ ARG A 28 -3.001 -1.102 11.828 1.00 0.00 C ATOM 369 NH1 ARG A 28 -2.970 0.198 11.566 1.00 0.00 N ATOM 370 NH2 ARG A 28 -3.556 -1.534 12.953 1.00 0.00 N ATOM 0 H ARG A 28 -1.682 -0.458 7.200 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.046 1.106 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.048 -1.758 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.377 -1.166 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.120 -1.986 10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.318 -0.290 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.391 -0.734 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.927 -2.400 8.995 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.521 -2.962 11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.545 0.534 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.371 0.862 12.229 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.583 -2.533 13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.956 -0.867 13.613 1.00 0.00 H new ATOM 384 N ALA A 29 1.523 0.087 6.022 1.00 0.00 N ATOM 385 CA ALA A 29 2.651 0.377 5.145 1.00 0.00 C ATOM 386 C ALA A 29 2.601 1.817 4.644 1.00 0.00 C ATOM 387 O ALA A 29 3.614 2.517 4.632 1.00 0.00 O ATOM 388 CB ALA A 29 2.670 -0.592 3.972 1.00 0.00 C ATOM 0 H ALA A 29 0.938 -0.689 5.714 1.00 0.00 H new ATOM 0 HA ALA A 29 3.568 0.252 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.517 -0.364 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.762 -1.612 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.744 -0.495 3.405 1.00 0.00 H new ATOM 394 N LEU A 30 1.416 2.253 4.229 1.00 0.00 N ATOM 395 CA LEU A 30 1.234 3.610 3.726 1.00 0.00 C ATOM 396 C LEU A 30 1.842 4.631 4.682 1.00 0.00 C ATOM 397 O LEU A 30 2.315 5.687 4.261 1.00 0.00 O ATOM 398 CB LEU A 30 -0.253 3.905 3.524 1.00 0.00 C ATOM 399 CG LEU A 30 -0.866 3.402 2.217 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.360 3.684 2.184 1.00 0.00 C ATOM 401 CD2 LEU A 30 -0.174 4.043 1.022 1.00 0.00 C ATOM 0 H LEU A 30 0.568 1.687 4.231 1.00 0.00 H new ATOM 0 HA LEU A 30 1.747 3.688 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.806 3.465 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.400 4.984 3.579 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.720 2.323 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.779 3.319 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.844 3.178 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.529 4.758 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.623 3.673 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.289 5.126 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.886 3.789 1.036 1.00 0.00 H new ATOM 413 N LYS A 31 1.827 4.310 5.971 1.00 0.00 N ATOM 414 CA LYS A 31 2.379 5.197 6.988 1.00 0.00 C ATOM 415 C LYS A 31 3.855 4.895 7.230 1.00 0.00 C ATOM 416 O LYS A 31 4.668 5.807 7.371 1.00 0.00 O ATOM 417 CB LYS A 31 1.597 5.057 8.296 1.00 0.00 C ATOM 418 CG LYS A 31 1.665 6.290 9.180 1.00 0.00 C ATOM 419 CD LYS A 31 0.619 7.318 8.784 1.00 0.00 C ATOM 420 CE LYS A 31 1.053 8.727 9.156 1.00 0.00 C ATOM 421 NZ LYS A 31 1.303 8.862 10.618 1.00 0.00 N ATOM 0 H LYS A 31 1.438 3.441 6.337 1.00 0.00 H new ATOM 0 HA LYS A 31 2.290 6.222 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.554 4.843 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.982 4.201 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.517 6.001 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.658 6.734 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.441 7.263 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.326 7.085 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.959 8.985 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.283 9.436 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.447 9.864 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.485 8.496 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.152 8.320 10.877 1.00 0.00 H new ATOM 435 N GLN A 32 4.191 3.610 7.275 1.00 0.00 N ATOM 436 CA GLN A 32 5.569 3.189 7.500 1.00 0.00 C ATOM 437 C GLN A 32 6.531 3.987 6.626 1.00 0.00 C ATOM 438 O GLN A 32 7.450 4.636 7.127 1.00 0.00 O ATOM 439 CB GLN A 32 5.721 1.694 7.212 1.00 0.00 C ATOM 440 CG GLN A 32 5.067 0.804 8.257 1.00 0.00 C ATOM 441 CD GLN A 32 5.821 0.797 9.573 1.00 0.00 C ATOM 442 OE1 GLN A 32 6.871 1.428 9.703 1.00 0.00 O ATOM 443 NE2 GLN A 32 5.289 0.083 10.557 1.00 0.00 N ATOM 0 H GLN A 32 3.529 2.843 7.159 1.00 0.00 H new ATOM 0 HA GLN A 32 5.814 3.378 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.287 1.474 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.782 1.450 7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.046 1.143 8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.004 -0.214 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.417 -0.424 10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.752 0.042 11.465 1.00 0.00 H new ATOM 452 N THR A 33 6.314 3.935 5.315 1.00 0.00 N ATOM 453 CA THR A 33 7.163 4.652 4.371 1.00 0.00 C ATOM 454 C THR A 33 7.034 6.160 4.551 1.00 0.00 C ATOM 455 O THR A 33 8.019 6.892 4.464 1.00 0.00 O ATOM 456 CB THR A 33 6.815 4.288 2.915 1.00 0.00 C ATOM 457 OG1 THR A 33 5.446 4.609 2.644 1.00 0.00 O ATOM 458 CG2 THR A 33 7.056 2.809 2.655 1.00 0.00 C ATOM 0 H THR A 33 5.558 3.404 4.883 1.00 0.00 H new ATOM 0 HA THR A 33 8.190 4.351 4.578 1.00 0.00 H new ATOM 0 HB THR A 33 7.461 4.866 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.233 4.376 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.803 2.576 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.105 2.574 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.432 2.216 3.324 1.00 0.00 H new ATOM 466 N GLY A 34 5.812 6.619 4.804 1.00 0.00 N ATOM 467 CA GLY A 34 5.577 8.039 4.993 1.00 0.00 C ATOM 468 C GLY A 34 4.728 8.638 3.890 1.00 0.00 C ATOM 469 O GLY A 34 5.184 9.510 3.150 1.00 0.00 O ATOM 0 H GLY A 34 4.981 6.033 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.085 8.198 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.534 8.560 5.035 1.00 0.00 H new ATOM 473 N SER A 35 3.490 8.168 3.776 1.00 0.00 N ATOM 474 CA SER A 35 2.576 8.659 2.751 1.00 0.00 C ATOM 475 C SER A 35 3.328 8.979 1.462 1.00 0.00 C ATOM 476 O SER A 35 2.974 9.910 0.739 1.00 0.00 O ATOM 477 CB SER A 35 1.841 9.905 3.248 1.00 0.00 C ATOM 478 OG SER A 35 2.746 10.967 3.494 1.00 0.00 O ATOM 0 H SER A 35 3.097 7.447 4.381 1.00 0.00 H new ATOM 0 HA SER A 35 1.848 7.875 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.104 10.216 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.295 9.669 4.162 1.00 0.00 H new ATOM 0 HG SER A 35 2.251 11.752 3.809 1.00 0.00 H new ATOM 484 N ARG A 36 4.367 8.199 1.182 1.00 0.00 N ATOM 485 CA ARG A 36 5.170 8.399 -0.018 1.00 0.00 C ATOM 486 C ARG A 36 4.484 7.792 -1.239 1.00 0.00 C ATOM 487 O ARG A 36 3.468 7.107 -1.116 1.00 0.00 O ATOM 488 CB ARG A 36 6.557 7.779 0.161 1.00 0.00 C ATOM 489 CG ARG A 36 7.568 8.721 0.794 1.00 0.00 C ATOM 490 CD ARG A 36 8.011 9.800 -0.181 1.00 0.00 C ATOM 491 NE ARG A 36 8.872 10.793 0.455 1.00 0.00 N ATOM 492 CZ ARG A 36 8.430 11.708 1.311 1.00 0.00 C ATOM 493 NH1 ARG A 36 7.144 11.755 1.632 1.00 0.00 N ATOM 494 NH2 ARG A 36 9.275 12.578 1.849 1.00 0.00 N ATOM 0 H ARG A 36 4.672 7.423 1.770 1.00 0.00 H new ATOM 0 HA ARG A 36 5.277 9.472 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.469 6.885 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.931 7.459 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.131 9.185 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.436 8.153 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.543 9.340 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.133 10.295 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 36 9.867 10.784 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.491 11.087 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.808 12.459 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.265 12.545 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.935 13.280 2.506 1.00 0.00 H new ATOM 508 N SER A 37 5.045 8.049 -2.416 1.00 0.00 N ATOM 509 CA SER A 37 4.485 7.532 -3.659 1.00 0.00 C ATOM 510 C SER A 37 3.950 6.116 -3.466 1.00 0.00 C ATOM 511 O SER A 37 4.556 5.301 -2.770 1.00 0.00 O ATOM 512 CB SER A 37 5.544 7.543 -4.763 1.00 0.00 C ATOM 513 OG SER A 37 5.155 6.722 -5.851 1.00 0.00 O ATOM 0 H SER A 37 5.887 8.612 -2.535 1.00 0.00 H new ATOM 0 HA SER A 37 3.657 8.178 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.700 8.564 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.496 7.194 -4.362 1.00 0.00 H new ATOM 0 HG SER A 37 5.848 6.747 -6.544 1.00 0.00 H new ATOM 519 N ILE A 38 2.811 5.831 -4.088 1.00 0.00 N ATOM 520 CA ILE A 38 2.194 4.515 -3.986 1.00 0.00 C ATOM 521 C ILE A 38 3.226 3.408 -4.171 1.00 0.00 C ATOM 522 O ILE A 38 3.046 2.291 -3.687 1.00 0.00 O ATOM 523 CB ILE A 38 1.074 4.336 -5.028 1.00 0.00 C ATOM 524 CG1 ILE A 38 0.001 5.411 -4.845 1.00 0.00 C ATOM 525 CG2 ILE A 38 0.463 2.947 -4.916 1.00 0.00 C ATOM 526 CD1 ILE A 38 -0.988 5.479 -5.988 1.00 0.00 C ATOM 0 H ILE A 38 2.297 6.494 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 38 1.764 4.445 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 38 1.504 4.444 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.540 5.219 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.485 6.381 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.327 2.836 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.233 2.196 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.044 2.813 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.719 6.263 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.459 5.702 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.500 4.521 -6.084 1.00 0.00 H new ATOM 538 N GLU A 39 4.309 3.728 -4.873 1.00 0.00 N ATOM 539 CA GLU A 39 5.371 2.760 -5.121 1.00 0.00 C ATOM 540 C GLU A 39 6.148 2.465 -3.841 1.00 0.00 C ATOM 541 O GLU A 39 6.344 1.307 -3.474 1.00 0.00 O ATOM 542 CB GLU A 39 6.323 3.279 -6.201 1.00 0.00 C ATOM 543 CG GLU A 39 5.666 3.450 -7.560 1.00 0.00 C ATOM 544 CD GLU A 39 6.674 3.501 -8.692 1.00 0.00 C ATOM 545 OE1 GLU A 39 7.290 4.570 -8.890 1.00 0.00 O ATOM 546 OE2 GLU A 39 6.847 2.474 -9.381 1.00 0.00 O ATOM 0 H GLU A 39 4.474 4.649 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 39 4.911 1.835 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.733 4.237 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.162 2.589 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.974 2.625 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.076 4.367 -7.562 1.00 0.00 H new ATOM 553 N ALA A 40 6.588 3.522 -3.166 1.00 0.00 N ATOM 554 CA ALA A 40 7.342 3.378 -1.927 1.00 0.00 C ATOM 555 C ALA A 40 6.603 2.485 -0.936 1.00 0.00 C ATOM 556 O ALA A 40 7.200 1.609 -0.311 1.00 0.00 O ATOM 557 CB ALA A 40 7.612 4.743 -1.312 1.00 0.00 C ATOM 0 H ALA A 40 6.435 4.488 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 40 8.295 2.904 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.176 4.620 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.188 5.349 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.665 5.239 -1.097 1.00 0.00 H new ATOM 563 N ALA A 41 5.302 2.714 -0.797 1.00 0.00 N ATOM 564 CA ALA A 41 4.482 1.930 0.118 1.00 0.00 C ATOM 565 C ALA A 41 4.638 0.436 -0.148 1.00 0.00 C ATOM 566 O ALA A 41 5.053 -0.321 0.730 1.00 0.00 O ATOM 567 CB ALA A 41 3.021 2.338 0.000 1.00 0.00 C ATOM 0 H ALA A 41 4.793 3.436 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 41 4.823 2.130 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.421 1.744 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.917 3.395 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.677 2.168 -1.020 1.00 0.00 H new ATOM 573 N LEU A 42 4.303 0.018 -1.364 1.00 0.00 N ATOM 574 CA LEU A 42 4.405 -1.386 -1.746 1.00 0.00 C ATOM 575 C LEU A 42 5.832 -1.896 -1.567 1.00 0.00 C ATOM 576 O LEU A 42 6.061 -2.906 -0.902 1.00 0.00 O ATOM 577 CB LEU A 42 3.963 -1.573 -3.198 1.00 0.00 C ATOM 578 CG LEU A 42 2.614 -0.959 -3.573 1.00 0.00 C ATOM 579 CD1 LEU A 42 2.458 -0.897 -5.084 1.00 0.00 C ATOM 580 CD2 LEU A 42 1.475 -1.752 -2.949 1.00 0.00 C ATOM 0 H LEU A 42 3.958 0.632 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 42 3.748 -1.963 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.727 -1.146 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.925 -2.641 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 42 2.578 0.058 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.492 -0.457 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.255 -0.285 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.515 -1.904 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.523 -1.301 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.508 -2.780 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.578 -1.744 -1.864 1.00 0.00 H new ATOM 592 N GLU A 43 6.787 -1.189 -2.163 1.00 0.00 N ATOM 593 CA GLU A 43 8.191 -1.570 -2.067 1.00 0.00 C ATOM 594 C GLU A 43 8.538 -2.021 -0.651 1.00 0.00 C ATOM 595 O GLU A 43 9.201 -3.039 -0.457 1.00 0.00 O ATOM 596 CB GLU A 43 9.089 -0.401 -2.476 1.00 0.00 C ATOM 597 CG GLU A 43 10.413 -0.833 -3.083 1.00 0.00 C ATOM 598 CD GLU A 43 11.399 0.312 -3.209 1.00 0.00 C ATOM 599 OE1 GLU A 43 10.954 1.456 -3.439 1.00 0.00 O ATOM 600 OE2 GLU A 43 12.616 0.064 -3.079 1.00 0.00 O ATOM 0 H GLU A 43 6.614 -0.350 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 43 8.361 -2.405 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.556 0.222 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.285 0.219 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.851 -1.619 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.233 -1.263 -4.068 1.00 0.00 H new ATOM 607 N TYR A 44 8.084 -1.254 0.335 1.00 0.00 N ATOM 608 CA TYR A 44 8.348 -1.572 1.733 1.00 0.00 C ATOM 609 C TYR A 44 7.760 -2.930 2.103 1.00 0.00 C ATOM 610 O TYR A 44 8.463 -3.806 2.608 1.00 0.00 O ATOM 611 CB TYR A 44 7.767 -0.487 2.642 1.00 0.00 C ATOM 612 CG TYR A 44 7.532 -0.950 4.062 1.00 0.00 C ATOM 613 CD1 TYR A 44 8.598 -1.189 4.921 1.00 0.00 C ATOM 614 CD2 TYR A 44 6.245 -1.147 4.546 1.00 0.00 C ATOM 615 CE1 TYR A 44 8.388 -1.613 6.219 1.00 0.00 C ATOM 616 CE2 TYR A 44 6.025 -1.569 5.843 1.00 0.00 C ATOM 617 CZ TYR A 44 7.100 -1.801 6.675 1.00 0.00 C ATOM 618 OH TYR A 44 6.886 -2.221 7.968 1.00 0.00 O ATOM 0 H TYR A 44 7.532 -0.408 0.192 1.00 0.00 H new ATOM 0 HA TYR A 44 9.428 -1.614 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.445 0.366 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.824 -0.139 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.608 -1.041 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.401 -0.967 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.228 -1.796 6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.017 -1.716 6.203 1.00 0.00 H new ATOM 0 HH TYR A 44 5.923 -2.303 8.130 1.00 0.00 H new ATOM 628 N ILE A 45 6.467 -3.097 1.848 1.00 0.00 N ATOM 629 CA ILE A 45 5.784 -4.349 2.153 1.00 0.00 C ATOM 630 C ILE A 45 6.585 -5.547 1.654 1.00 0.00 C ATOM 631 O ILE A 45 6.905 -6.456 2.420 1.00 0.00 O ATOM 632 CB ILE A 45 4.377 -4.389 1.528 1.00 0.00 C ATOM 633 CG1 ILE A 45 3.535 -3.218 2.038 1.00 0.00 C ATOM 634 CG2 ILE A 45 3.697 -5.714 1.840 1.00 0.00 C ATOM 635 CD1 ILE A 45 2.248 -3.018 1.269 1.00 0.00 C ATOM 0 H ILE A 45 5.871 -2.382 1.431 1.00 0.00 H new ATOM 0 HA ILE A 45 5.692 -4.403 3.238 1.00 0.00 H new ATOM 0 HB ILE A 45 4.473 -4.298 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.299 -3.382 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.127 -2.304 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.704 -5.728 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.290 -6.532 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.609 -5.833 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.703 -2.171 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.477 -2.822 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.635 -3.916 1.345 1.00 0.00 H new ATOM 647 N SER A 46 6.906 -5.541 0.364 1.00 0.00 N ATOM 648 CA SER A 46 7.668 -6.629 -0.239 1.00 0.00 C ATOM 649 C SER A 46 8.976 -6.857 0.511 1.00 0.00 C ATOM 650 O SER A 46 9.372 -7.995 0.762 1.00 0.00 O ATOM 651 CB SER A 46 7.957 -6.323 -1.710 1.00 0.00 C ATOM 652 OG SER A 46 8.751 -7.340 -2.296 1.00 0.00 O ATOM 0 H SER A 46 6.651 -4.795 -0.283 1.00 0.00 H new ATOM 0 HA SER A 46 7.070 -7.538 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.019 -6.230 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.470 -5.365 -1.791 1.00 0.00 H new ATOM 0 HG SER A 46 8.920 -7.122 -3.236 1.00 0.00 H new ATOM 658 N LYS A 47 9.645 -5.765 0.867 1.00 0.00 N ATOM 659 CA LYS A 47 10.908 -5.843 1.591 1.00 0.00 C ATOM 660 C LYS A 47 10.781 -6.745 2.814 1.00 0.00 C ATOM 661 O LYS A 47 11.625 -7.609 3.050 1.00 0.00 O ATOM 662 CB LYS A 47 11.361 -4.445 2.020 1.00 0.00 C ATOM 663 CG LYS A 47 12.867 -4.311 2.163 1.00 0.00 C ATOM 664 CD LYS A 47 13.527 -3.984 0.834 1.00 0.00 C ATOM 665 CE LYS A 47 14.982 -4.426 0.810 1.00 0.00 C ATOM 666 NZ LYS A 47 15.870 -3.446 1.495 1.00 0.00 N ATOM 0 H LYS A 47 9.333 -4.815 0.666 1.00 0.00 H new ATOM 0 HA LYS A 47 11.655 -6.271 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.008 -3.718 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.891 -4.196 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.096 -3.529 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.280 -5.240 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.983 -4.474 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.469 -2.911 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.074 -5.399 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.307 -4.551 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.853 -3.783 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.802 -2.524 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.576 -3.346 2.488 1.00 0.00 H new ATOM 680 N MET A 48 9.719 -6.540 3.586 1.00 0.00 N ATOM 681 CA MET A 48 9.481 -7.338 4.784 1.00 0.00 C ATOM 682 C MET A 48 9.579 -8.828 4.472 1.00 0.00 C ATOM 683 O MET A 48 10.410 -9.537 5.040 1.00 0.00 O ATOM 684 CB MET A 48 8.105 -7.017 5.371 1.00 0.00 C ATOM 685 CG MET A 48 8.034 -7.185 6.880 1.00 0.00 C ATOM 686 SD MET A 48 8.055 -8.915 7.387 1.00 0.00 S ATOM 687 CE MET A 48 6.386 -9.412 6.967 1.00 0.00 C ATOM 0 H MET A 48 9.010 -5.829 3.404 1.00 0.00 H new ATOM 0 HA MET A 48 10.248 -7.087 5.517 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.840 -5.991 5.115 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.361 -7.664 4.906 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.875 -6.665 7.340 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.125 -6.712 7.252 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.161 -10.368 7.440 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.682 -8.658 7.320 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.298 -9.512 5.885 1.00 0.00 H new ATOM 697 N SER A 49 8.725 -9.297 3.568 1.00 0.00 N ATOM 698 CA SER A 49 8.712 -10.704 3.185 1.00 0.00 C ATOM 699 C SER A 49 9.617 -10.946 1.981 1.00 0.00 C ATOM 700 O SER A 49 9.277 -10.592 0.853 1.00 0.00 O ATOM 701 CB SER A 49 7.286 -11.155 2.864 1.00 0.00 C ATOM 702 OG SER A 49 7.150 -12.558 3.008 1.00 0.00 O ATOM 0 H SER A 49 8.033 -8.723 3.087 1.00 0.00 H new ATOM 0 HA SER A 49 9.089 -11.287 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.583 -10.649 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.030 -10.864 1.845 1.00 0.00 H new ATOM 0 HG SER A 49 6.229 -12.821 2.799 1.00 0.00 H new ATOM 708 N GLY A 50 10.774 -11.554 2.230 1.00 0.00 N ATOM 709 CA GLY A 50 11.711 -11.835 1.158 1.00 0.00 C ATOM 710 C GLY A 50 11.288 -13.020 0.314 1.00 0.00 C ATOM 711 O GLY A 50 10.683 -13.974 0.804 1.00 0.00 O ATOM 0 H GLY A 50 11.078 -11.857 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.805 -10.955 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.696 -12.028 1.582 1.00 0.00 H new ATOM 715 N PRO A 51 11.607 -12.969 -0.988 1.00 0.00 N ATOM 716 CA PRO A 51 11.265 -14.039 -1.930 1.00 0.00 C ATOM 717 C PRO A 51 12.071 -15.309 -1.681 1.00 0.00 C ATOM 718 O PRO A 51 13.211 -15.252 -1.220 1.00 0.00 O ATOM 719 CB PRO A 51 11.620 -13.438 -3.292 1.00 0.00 C ATOM 720 CG PRO A 51 12.664 -12.418 -2.997 1.00 0.00 C ATOM 721 CD PRO A 51 12.328 -11.863 -1.640 1.00 0.00 C ATOM 0 HA PRO A 51 10.222 -14.343 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.994 -14.200 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.748 -12.986 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.658 -12.865 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.665 -11.631 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.225 -11.586 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.710 -10.968 -1.714 1.00 0.00 H new ATOM 729 N SER A 52 11.472 -16.455 -1.991 1.00 0.00 N ATOM 730 CA SER A 52 12.133 -17.740 -1.798 1.00 0.00 C ATOM 731 C SER A 52 12.262 -18.489 -3.121 1.00 0.00 C ATOM 732 O SER A 52 11.523 -19.438 -3.384 1.00 0.00 O ATOM 733 CB SER A 52 11.357 -18.591 -0.790 1.00 0.00 C ATOM 734 OG SER A 52 12.171 -19.622 -0.260 1.00 0.00 O ATOM 0 H SER A 52 10.530 -16.519 -2.377 1.00 0.00 H new ATOM 0 HA SER A 52 13.133 -17.551 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.992 -17.959 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.482 -19.026 -1.274 1.00 0.00 H new ATOM 0 HG SER A 52 11.653 -20.150 0.382 1.00 0.00 H new ATOM 740 N SER A 53 13.205 -18.054 -3.950 1.00 0.00 N ATOM 741 CA SER A 53 13.429 -18.680 -5.248 1.00 0.00 C ATOM 742 C SER A 53 14.163 -20.008 -5.092 1.00 0.00 C ATOM 743 O SER A 53 14.941 -20.194 -4.156 1.00 0.00 O ATOM 744 CB SER A 53 14.229 -17.745 -6.157 1.00 0.00 C ATOM 745 OG SER A 53 15.612 -17.799 -5.852 1.00 0.00 O ATOM 0 H SER A 53 13.826 -17.271 -3.746 1.00 0.00 H new ATOM 0 HA SER A 53 12.458 -18.874 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.072 -18.023 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.867 -16.723 -6.042 1.00 0.00 H new ATOM 0 HG SER A 53 16.102 -17.194 -6.447 1.00 0.00 H new ATOM 751 N GLY A 54 13.910 -20.930 -6.016 1.00 0.00 N ATOM 752 CA GLY A 54 14.554 -22.229 -5.963 1.00 0.00 C ATOM 753 C GLY A 54 13.617 -23.322 -5.487 1.00 0.00 C ATOM 754 O GLY A 54 12.925 -23.160 -4.482 1.00 0.00 O ATOM 0 H GLY A 54 13.271 -20.800 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.932 -22.484 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.415 -22.177 -5.297 1.00 0.00 H new TER 758 GLY A 54