USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 275 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 SER N :NH3+ 135:sc= 0.0165 (180deg=0) USER MOD Single : A 1 SER OG : rot -165:sc= 0.826 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 3 HIS : no HE2:sc= 0.466 K(o=0.47,f=-3.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.388 K(o=0.39,f=-5.4!) USER MOD Single : A 10 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-3.5) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.892) USER MOD Single : A 18 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.11) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -32:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.871 4.626 11.601 1.00 49.53 N ATOM 2 CA SER A 1 2.398 5.604 10.658 1.00 50.07 C ATOM 3 C SER A 1 1.370 5.945 9.587 1.00 50.51 C ATOM 4 O SER A 1 0.621 5.080 9.134 1.00 49.49 O ATOM 5 CB SER A 1 3.672 5.084 10.021 1.00 50.05 C ATOM 6 OG SER A 1 4.707 4.944 10.954 1.00 49.34 O ATOM 0 H1 SER A 1 2.587 3.893 11.778 1.00 49.53 H new ATOM 0 H2 SER A 1 1.632 5.100 12.496 1.00 49.53 H new ATOM 0 H3 SER A 1 1.016 4.186 11.204 1.00 49.53 H new ATOM 0 HA SER A 1 2.625 6.517 11.208 1.00 50.07 H new ATOM 0 HB2 SER A 1 3.475 4.120 9.551 1.00 50.05 H new ATOM 0 HB3 SER A 1 3.986 5.766 9.231 1.00 50.05 H new ATOM 0 HG SER A 1 5.560 4.839 10.483 1.00 49.34 H new ATOM 12 N GLN A 2 1.341 7.212 9.184 1.00 49.53 N ATOM 13 CA GLN A 2 0.406 7.669 8.161 1.00 50.07 C ATOM 14 C GLN A 2 0.735 7.060 6.804 1.00 50.51 C ATOM 15 O GLN A 2 1.768 7.367 6.209 1.00 49.49 O ATOM 16 CB GLN A 2 0.427 9.197 8.061 1.00 49.82 C ATOM 17 CG GLN A 2 -0.580 9.769 7.078 1.00 49.82 C ATOM 18 CD GLN A 2 -0.565 11.286 7.052 1.00 50.55 C ATOM 19 OE1 GLN A 2 0.221 11.925 7.758 1.00 49.45 O ATOM 20 NE2 GLN A 2 -1.436 11.871 6.239 1.00 49.38 N ATOM 0 H GLN A 2 1.954 7.940 9.550 1.00 49.53 H new ATOM 0 HA GLN A 2 -0.592 7.342 8.453 1.00 50.07 H new ATOM 0 HB2 GLN A 2 0.234 9.617 9.048 1.00 49.82 H new ATOM 0 HB3 GLN A 2 1.427 9.517 7.768 1.00 49.82 H new ATOM 0 HG2 GLN A 2 -0.365 9.389 6.079 1.00 49.82 H new ATOM 0 HG3 GLN A 2 -1.579 9.423 7.343 1.00 49.82 H new ATOM 0 HE21 GLN A 2 -2.067 11.303 5.674 1.00 49.38 H new ATOM 0 HE22 GLN A 2 -1.474 12.889 6.180 1.00 49.38 H new ATOM 29 N HIS A 3 -0.149 6.195 6.320 1.00 49.53 N ATOM 30 CA HIS A 3 0.036 5.556 5.022 1.00 50.07 C ATOM 31 C HIS A 3 -0.228 6.533 3.884 1.00 50.51 C ATOM 32 O HIS A 3 -1.300 7.130 3.802 1.00 49.49 O ATOM 33 CB HIS A 3 -0.878 4.334 4.886 1.00 49.92 C ATOM 34 CG HIS A 3 -0.508 3.429 3.752 1.00 50.22 C ATOM 35 ND1 HIS A 3 -0.669 3.789 2.431 1.00 49.30 N ATOM 36 CD2 HIS A 3 0.013 2.179 3.742 1.00 49.95 C ATOM 37 CE1 HIS A 3 -0.260 2.799 1.655 1.00 50.25 C ATOM 38 NE2 HIS A 3 0.157 1.812 2.427 1.00 49.64 N ATOM 0 H HIS A 3 -1.002 5.920 6.807 1.00 49.53 H new ATOM 0 HA HIS A 3 1.074 5.230 4.960 1.00 50.07 H new ATOM 0 HB2 HIS A 3 -0.851 3.766 5.816 1.00 49.92 H new ATOM 0 HB3 HIS A 3 -1.905 4.673 4.749 1.00 49.92 H new ATOM 0 HD1 HIS A 3 -1.045 4.679 2.103 1.00 49.30 H new ATOM 0 HD2 HIS A 3 0.267 1.583 4.606 1.00 49.95 H new ATOM 0 HE1 HIS A 3 -0.266 2.798 0.575 1.00 50.25 H new ATOM 46 N GLY A 4 0.758 6.690 3.007 1.00 49.53 N ATOM 47 CA GLY A 4 0.647 7.620 1.890 1.00 49.98 C ATOM 48 C GLY A 4 0.169 6.912 0.628 1.00 50.51 C ATOM 49 O GLY A 4 -0.526 5.898 0.700 1.00 49.49 O ATOM 0 H GLY A 4 1.643 6.185 3.049 1.00 49.53 H new ATOM 0 HA2 GLY A 4 -0.048 8.419 2.147 1.00 49.98 H new ATOM 0 HA3 GLY A 4 1.615 8.086 1.704 1.00 49.98 H new ATOM 53 N ARG A 5 0.546 7.451 -0.526 1.00 49.53 N ATOM 54 CA ARG A 5 0.169 6.863 -1.805 1.00 50.07 C ATOM 55 C ARG A 5 1.139 5.762 -2.213 1.00 50.51 C ATOM 56 O ARG A 5 2.339 5.850 -1.950 1.00 49.49 O ATOM 57 CB ARG A 5 0.024 7.911 -2.899 1.00 49.82 C ATOM 58 CG ARG A 5 -1.114 8.898 -2.693 1.00 49.82 C ATOM 59 CD ARG A 5 -1.254 9.906 -3.774 1.00 50.20 C ATOM 60 NE ARG A 5 -2.298 10.893 -3.547 1.00 49.30 N ATOM 61 CZ ARG A 5 -2.563 11.929 -4.366 1.00 50.64 C ATOM 62 NH1 ARG A 5 -1.840 12.143 -5.444 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -3.553 12.742 -4.044 1.00 49.20 N ATOM 0 H ARG A 5 1.113 8.295 -0.602 1.00 49.53 H new ATOM 0 HA ARG A 5 -0.813 6.410 -1.671 1.00 50.07 H new ATOM 0 HB2 ARG A 5 0.958 8.467 -2.976 1.00 49.82 H new ATOM 0 HB3 ARG A 5 -0.123 7.403 -3.852 1.00 49.82 H new ATOM 0 HG2 ARG A 5 -2.048 8.344 -2.606 1.00 49.82 H new ATOM 0 HG3 ARG A 5 -0.962 9.417 -1.746 1.00 49.82 H new ATOM 0 HD2 ARG A 5 -0.303 10.424 -3.896 1.00 50.20 H new ATOM 0 HD3 ARG A 5 -1.458 9.389 -4.712 1.00 50.20 H new ATOM 0 HE ARG A 5 -2.870 10.794 -2.708 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -1.065 11.520 -5.670 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -2.054 12.932 -6.053 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -4.093 12.577 -3.195 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -3.777 13.535 -4.645 1.00 49.20 H new ATOM 77 N THR A 6 0.614 4.726 -2.857 1.00 49.53 N ATOM 78 CA THR A 6 1.428 3.589 -3.272 1.00 50.07 C ATOM 79 C THR A 6 2.088 3.847 -4.620 1.00 50.51 C ATOM 80 O THR A 6 1.568 4.600 -5.443 1.00 49.49 O ATOM 81 CB THR A 6 0.592 2.298 -3.360 1.00 50.14 C ATOM 82 OG1 THR A 6 -0.455 2.469 -4.324 1.00 49.34 O ATOM 83 CG2 THR A 6 -0.018 1.965 -2.007 1.00 49.73 C ATOM 0 H THR A 6 -0.373 4.650 -3.103 1.00 49.53 H new ATOM 0 HA THR A 6 2.199 3.461 -2.512 1.00 50.07 H new ATOM 0 HB THR A 6 1.245 1.480 -3.664 1.00 50.14 H new ATOM 0 HG1 THR A 6 -0.985 1.647 -4.381 1.00 49.34 H new ATOM 0 HG21 THR A 6 -0.605 1.050 -2.088 1.00 49.73 H new ATOM 0 HG22 THR A 6 0.777 1.823 -1.275 1.00 49.73 H new ATOM 0 HG23 THR A 6 -0.663 2.783 -1.688 1.00 49.73 H new ATOM 91 N GLN A 7 3.238 3.218 -4.840 1.00 49.53 N ATOM 92 CA GLN A 7 3.887 2.423 -3.804 1.00 50.07 C ATOM 93 C GLN A 7 4.729 3.297 -2.884 1.00 50.51 C ATOM 94 O GLN A 7 5.307 4.295 -3.317 1.00 49.49 O ATOM 95 CB GLN A 7 4.764 1.337 -4.431 1.00 49.82 C ATOM 96 CG GLN A 7 3.989 0.267 -5.181 1.00 49.82 C ATOM 97 CD GLN A 7 3.214 -0.645 -4.251 1.00 50.55 C ATOM 98 OE1 GLN A 7 3.741 -1.118 -3.240 1.00 49.45 O ATOM 99 NE2 GLN A 7 1.956 -0.904 -4.589 1.00 49.38 N ATOM 0 H GLN A 7 3.740 3.244 -5.728 1.00 49.53 H new ATOM 0 HA GLN A 7 3.104 1.952 -3.210 1.00 50.07 H new ATOM 0 HB2 GLN A 7 5.470 1.806 -5.116 1.00 49.82 H new ATOM 0 HB3 GLN A 7 5.351 0.861 -3.645 1.00 49.82 H new ATOM 0 HG2 GLN A 7 3.298 0.743 -5.877 1.00 49.82 H new ATOM 0 HG3 GLN A 7 4.681 -0.329 -5.776 1.00 49.82 H new ATOM 0 HE21 GLN A 7 1.560 -0.492 -5.434 1.00 49.38 H new ATOM 0 HE22 GLN A 7 1.386 -1.515 -4.004 1.00 49.38 H new ATOM 108 N ASP A 8 4.797 2.917 -1.613 1.00 49.53 N ATOM 109 CA ASP A 8 5.593 3.650 -0.636 1.00 50.07 C ATOM 110 C ASP A 8 7.080 3.370 -0.814 1.00 50.51 C ATOM 111 O ASP A 8 7.468 2.514 -1.607 1.00 49.49 O ATOM 112 CB ASP A 8 5.159 3.292 0.787 1.00 49.72 C ATOM 113 CG ASP A 8 3.828 3.902 1.212 1.00 50.62 C ATOM 114 OD1 ASP A 8 3.349 4.770 0.522 1.00 49.24 O ATOM 115 OD2 ASP A 8 3.229 3.390 2.127 1.00 49.24 O1- ATOM 0 H ASP A 8 4.310 2.105 -1.235 1.00 49.53 H new ATOM 0 HA ASP A 8 5.424 4.714 -0.801 1.00 50.07 H new ATOM 0 HB2 ASP A 8 5.091 2.207 0.871 1.00 49.72 H new ATOM 0 HB3 ASP A 8 5.933 3.618 1.482 1.00 49.72 H new ATOM 120 N GLU A 9 7.907 4.099 -0.073 1.00 49.53 N ATOM 121 CA GLU A 9 9.354 3.943 -0.160 1.00 50.07 C ATOM 122 C GLU A 9 9.784 2.547 0.269 1.00 50.51 C ATOM 123 O GLU A 9 9.048 1.847 0.964 1.00 49.49 O ATOM 124 CB GLU A 9 10.059 4.998 0.694 1.00 49.82 C ATOM 125 CG GLU A 9 9.979 6.414 0.139 1.00 49.72 C ATOM 126 CD GLU A 9 10.623 7.402 1.072 1.00 50.62 C ATOM 127 OE1 GLU A 9 11.038 7.007 2.133 1.00 49.24 O ATOM 128 OE2 GLU A 9 10.801 8.531 0.677 1.00 49.24 O1- ATOM 0 H GLU A 9 7.599 4.805 0.596 1.00 49.53 H new ATOM 0 HA GLU A 9 9.642 4.082 -1.202 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.625 4.988 1.694 1.00 49.82 H new ATOM 0 HB3 GLU A 9 11.108 4.721 0.799 1.00 49.82 H new ATOM 0 HG2 GLU A 9 10.470 6.454 -0.833 1.00 49.72 H new ATOM 0 HG3 GLU A 9 8.936 6.687 -0.020 1.00 49.72 H new ATOM 135 N ASN A 10 10.981 2.148 -0.146 1.00 49.53 N ATOM 136 CA ASN A 10 11.480 0.806 0.129 1.00 50.07 C ATOM 137 C ASN A 10 11.658 0.579 1.624 1.00 50.51 C ATOM 138 O ASN A 10 11.978 1.507 2.368 1.00 49.49 O ATOM 139 CB ASN A 10 12.783 0.537 -0.601 1.00 49.82 C ATOM 140 CG ASN A 10 12.625 0.393 -2.090 1.00 50.55 C ATOM 141 OD1 ASN A 10 11.534 0.099 -2.592 1.00 49.45 O ATOM 142 ND2 ASN A 10 13.724 0.518 -2.789 1.00 49.38 N ATOM 0 H ASN A 10 11.625 2.736 -0.675 1.00 49.53 H new ATOM 0 HA ASN A 10 10.732 0.104 -0.240 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.479 1.351 -0.396 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.231 -0.373 -0.203 1.00 49.82 H new ATOM 0 HD21 ASN A 10 13.706 0.371 -3.798 1.00 49.38 H new ATOM 0 HD22 ASN A 10 14.599 0.763 -2.325 1.00 49.38 H new ATOM 149 N PRO A 11 11.448 -0.658 2.060 1.00 49.71 N ATOM 150 CA PRO A 11 11.640 -1.021 3.459 1.00 50.02 C ATOM 151 C PRO A 11 13.089 -0.826 3.885 1.00 50.51 C ATOM 152 O PRO A 11 13.379 -0.628 5.064 1.00 49.49 O ATOM 153 CB PRO A 11 11.211 -2.496 3.527 1.00 49.82 C ATOM 154 CG PRO A 11 11.343 -3.004 2.118 1.00 49.82 C ATOM 155 CD PRO A 11 11.016 -1.801 1.245 1.00 50.00 C ATOM 0 HA PRO A 11 11.061 -0.397 4.140 1.00 50.02 H new ATOM 0 HB2 PRO A 11 11.845 -3.060 4.211 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.187 -2.593 3.887 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.349 -3.374 1.922 1.00 49.82 H new ATOM 0 HG3 PRO A 11 10.657 -3.830 1.928 1.00 49.82 H new ATOM 0 HD2 PRO A 11 11.547 -1.839 0.294 1.00 50.00 H new ATOM 0 HD3 PRO A 11 9.952 -1.750 1.014 1.00 50.00 H new ATOM 163 N VAL A 12 13.998 -0.883 2.917 1.00 49.53 N ATOM 164 CA VAL A 12 15.407 -0.604 3.171 1.00 50.07 C ATOM 165 C VAL A 12 15.629 0.871 3.475 1.00 50.51 C ATOM 166 O VAL A 12 16.420 1.221 4.352 1.00 49.49 O ATOM 167 CB VAL A 12 16.287 -1.011 1.974 1.00 49.91 C ATOM 168 CG1 VAL A 12 17.720 -0.546 2.186 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.243 -2.517 1.766 1.00 49.73 C ATOM 0 H VAL A 12 13.784 -1.120 1.948 1.00 49.53 H new ATOM 0 HA VAL A 12 15.694 -1.197 4.039 1.00 50.07 H new ATOM 0 HB VAL A 12 15.895 -0.528 1.079 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.329 -0.841 1.331 1.00 49.73 H new ATOM 0 HG12 VAL A 12 17.739 0.539 2.287 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.120 -1.002 3.091 1.00 49.73 H new ATOM 0 HG21 VAL A 12 16.871 -2.785 0.916 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.610 -3.019 2.661 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.216 -2.828 1.571 1.00 49.73 H new ATOM 179 N VAL A 13 14.930 1.733 2.746 1.00 49.53 N ATOM 180 CA VAL A 13 14.968 3.167 3.009 1.00 50.07 C ATOM 181 C VAL A 13 14.421 3.488 4.394 1.00 50.51 C ATOM 182 O VAL A 13 14.954 4.344 5.100 1.00 49.49 O ATOM 183 CB VAL A 13 14.167 3.955 1.957 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.049 5.417 2.363 1.00 49.73 C ATOM 185 CG2 VAL A 13 14.819 3.835 0.589 1.00 49.73 C ATOM 0 H VAL A 13 14.329 1.464 1.967 1.00 49.53 H new ATOM 0 HA VAL A 13 16.014 3.468 2.957 1.00 50.07 H new ATOM 0 HB VAL A 13 13.165 3.530 1.899 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.480 5.959 1.608 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.538 5.488 3.323 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.045 5.852 2.449 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.238 4.399 -0.141 1.00 49.73 H new ATOM 0 HG22 VAL A 13 15.832 4.234 0.633 1.00 49.73 H new ATOM 0 HG23 VAL A 13 14.854 2.786 0.293 1.00 49.73 H new ATOM 195 N HIS A 14 13.355 2.795 4.779 1.00 49.53 N ATOM 196 CA HIS A 14 12.733 3.006 6.081 1.00 50.07 C ATOM 197 C HIS A 14 13.588 2.426 7.200 1.00 50.51 C ATOM 198 O HIS A 14 13.568 2.918 8.329 1.00 49.49 O ATOM 199 CB HIS A 14 11.331 2.387 6.119 1.00 49.92 C ATOM 200 CG HIS A 14 10.345 3.077 5.228 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.953 4.384 5.426 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.672 2.642 4.137 1.00 49.95 C ATOM 203 CE1 HIS A 14 9.080 4.723 4.493 1.00 50.25 C ATOM 204 NE2 HIS A 14 8.892 3.684 3.700 1.00 49.64 N ATOM 0 H HIS A 14 12.903 2.081 4.207 1.00 49.53 H new ATOM 0 HA HIS A 14 12.648 4.082 6.235 1.00 50.07 H new ATOM 0 HB2 HIS A 14 11.398 1.339 5.829 1.00 49.92 H new ATOM 0 HB3 HIS A 14 10.960 2.411 7.144 1.00 49.92 H new ATOM 0 HD2 HIS A 14 9.737 1.659 3.693 1.00 49.95 H new ATOM 0 HE1 HIS A 14 8.602 5.686 4.396 1.00 50.25 H new ATOM 0 HE2 HIS A 14 8.268 3.660 2.893 1.00 49.64 H new ATOM 212 N PHE A 15 14.340 1.378 6.881 1.00 49.53 N ATOM 213 CA PHE A 15 15.319 0.826 7.810 1.00 50.07 C ATOM 214 C PHE A 15 16.362 1.867 8.194 1.00 50.51 C ATOM 215 O PHE A 15 16.637 2.077 9.375 1.00 49.49 O ATOM 216 CB PHE A 15 15.999 -0.402 7.203 1.00 49.82 C ATOM 217 CG PHE A 15 17.094 -0.973 8.057 1.00 50.00 C ATOM 218 CD1 PHE A 15 16.794 -1.728 9.182 1.00 49.88 C ATOM 219 CD2 PHE A 15 18.427 -0.757 7.740 1.00 49.88 C ATOM 220 CE1 PHE A 15 17.800 -2.253 9.969 1.00 49.88 C ATOM 221 CE2 PHE A 15 19.434 -1.282 8.524 1.00 49.88 C ATOM 222 CZ PHE A 15 19.121 -2.031 9.640 1.00 49.88 C ATOM 0 H PHE A 15 14.290 0.893 5.985 1.00 49.53 H new ATOM 0 HA PHE A 15 14.789 0.526 8.714 1.00 50.07 H new ATOM 0 HB2 PHE A 15 15.248 -1.172 7.029 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.412 -0.133 6.231 1.00 49.82 H new ATOM 0 HD1 PHE A 15 15.762 -1.907 9.445 1.00 49.88 H new ATOM 0 HD2 PHE A 15 18.680 -0.171 6.869 1.00 49.88 H new ATOM 0 HE1 PHE A 15 17.552 -2.838 10.843 1.00 49.88 H new ATOM 0 HE2 PHE A 15 20.467 -1.107 8.264 1.00 49.88 H new ATOM 0 HZ PHE A 15 19.908 -2.442 10.254 1.00 49.88 H new ATOM 232 N PHE A 16 16.939 2.517 7.189 1.00 49.53 N ATOM 233 CA PHE A 16 17.851 3.631 7.421 1.00 50.07 C ATOM 234 C PHE A 16 17.194 4.713 8.266 1.00 50.51 C ATOM 235 O PHE A 16 17.763 5.171 9.258 1.00 49.49 O ATOM 236 CB PHE A 16 18.326 4.218 6.090 1.00 49.82 C ATOM 237 CG PHE A 16 19.172 5.449 6.239 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.517 5.350 6.563 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.626 6.711 6.055 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.296 6.483 6.701 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.403 7.845 6.190 1.00 49.88 C ATOM 242 CZ PHE A 16 20.740 7.730 6.514 1.00 49.88 C ATOM 0 H PHE A 16 16.791 2.291 6.205 1.00 49.53 H new ATOM 0 HA PHE A 16 18.713 3.249 7.968 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.895 3.460 5.552 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.456 4.458 5.478 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.961 4.376 6.709 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.580 6.808 5.803 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.342 6.391 6.956 1.00 49.88 H new ATOM 0 HE2 PHE A 16 18.965 8.821 6.042 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.349 8.616 6.621 1.00 49.88 H new ATOM 252 N LYS A 17 15.993 5.120 7.869 1.00 49.53 N ATOM 253 CA LYS A 17 15.281 6.191 8.557 1.00 50.07 C ATOM 254 C LYS A 17 14.919 5.786 9.980 1.00 50.51 C ATOM 255 O LYS A 17 14.840 6.628 10.874 1.00 49.49 O ATOM 256 CB LYS A 17 14.019 6.578 7.783 1.00 49.82 C ATOM 257 CG LYS A 17 14.281 7.361 6.503 1.00 49.82 C ATOM 258 CD LYS A 17 12.981 7.727 5.803 1.00 49.82 C ATOM 259 CE LYS A 17 13.229 8.667 4.633 1.00 50.21 C ATOM 260 NZ LYS A 17 11.969 9.005 3.914 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.492 4.724 7.074 1.00 49.53 H new ATOM 0 HA LYS A 17 15.944 7.054 8.607 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.468 5.671 7.533 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.377 7.172 8.433 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.839 8.268 6.737 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.903 6.768 5.832 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.490 6.821 5.447 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.303 8.199 6.514 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.696 9.582 4.996 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.930 8.205 3.938 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 12.111 9.867 3.351 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.707 8.220 3.285 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.207 9.164 4.604 1.00 49.70 H new ATOM 274 N ASN A 18 14.701 4.491 10.183 1.00 49.53 N ATOM 275 CA ASN A 18 14.405 3.963 11.511 1.00 50.07 C ATOM 276 C ASN A 18 15.598 4.122 12.445 1.00 50.51 C ATOM 277 O ASN A 18 15.434 4.271 13.656 1.00 49.49 O ATOM 278 CB ASN A 18 13.978 2.509 11.447 1.00 49.82 C ATOM 279 CG ASN A 18 13.491 1.963 12.760 1.00 50.55 C ATOM 280 OD1 ASN A 18 12.481 2.420 13.309 1.00 49.45 O ATOM 281 ND2 ASN A 18 14.247 1.045 13.306 1.00 49.38 N ATOM 0 H ASN A 18 14.724 3.787 9.445 1.00 49.53 H new ATOM 0 HA ASN A 18 13.574 4.544 11.911 1.00 50.07 H new ATOM 0 HB2 ASN A 18 13.187 2.404 10.704 1.00 49.82 H new ATOM 0 HB3 ASN A 18 14.819 1.907 11.103 1.00 49.82 H new ATOM 0 HD21 ASN A 18 14.013 0.673 14.227 1.00 49.38 H new ATOM 0 HD22 ASN A 18 15.070 0.701 12.811 1.00 49.38 H new ATOM 288 N ILE A 19 16.798 4.091 11.875 1.00 49.53 N ATOM 289 CA ILE A 19 18.020 4.223 12.657 1.00 50.07 C ATOM 290 C ILE A 19 18.295 5.678 13.012 1.00 50.51 C ATOM 291 O ILE A 19 18.631 5.997 14.152 1.00 49.49 O ATOM 292 CB ILE A 19 19.236 3.650 11.906 1.00 49.91 C ATOM 293 CG1 ILE A 19 19.093 2.135 11.735 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.524 3.986 12.643 1.00 49.73 C ATOM 295 CD1 ILE A 19 20.099 1.530 10.783 1.00 49.73 C ATOM 0 H ILE A 19 16.950 3.975 10.873 1.00 49.53 H new ATOM 0 HA ILE A 19 17.868 3.652 13.573 1.00 50.07 H new ATOM 0 HB ILE A 19 19.278 4.106 10.917 1.00 49.91 H new ATOM 0 HG12 ILE A 19 19.196 1.658 12.709 1.00 49.82 H new ATOM 0 HG13 ILE A 19 18.088 1.913 11.376 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.373 3.573 12.098 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.630 5.068 12.715 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.493 3.557 13.645 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.934 0.455 10.714 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.982 1.979 9.797 1.00 49.73 H new ATOM 0 HD13 ILE A 19 21.107 1.720 11.151 1.00 49.73 H new ATOM 307 N VAL A 20 18.147 6.559 12.028 1.00 49.53 N ATOM 308 CA VAL A 20 18.569 7.948 12.173 1.00 50.07 C ATOM 309 C VAL A 20 17.430 8.819 12.686 1.00 50.51 C ATOM 310 O VAL A 20 17.651 9.940 13.143 1.00 49.49 O ATOM 311 CB VAL A 20 19.084 8.523 10.841 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.241 7.690 10.311 1.00 49.73 C ATOM 313 CG2 VAL A 20 17.960 8.584 9.817 1.00 49.73 C ATOM 0 H VAL A 20 17.738 6.336 11.121 1.00 49.53 H new ATOM 0 HA VAL A 20 19.382 7.956 12.899 1.00 50.07 H new ATOM 0 HB VAL A 20 19.443 9.536 11.021 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.592 8.112 9.369 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.055 7.695 11.036 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.907 6.665 10.148 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.342 8.993 8.882 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.572 7.581 9.643 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.160 9.222 10.192 1.00 49.73 H new ATOM 323 N THR A 21 16.210 8.297 12.607 1.00 49.53 N ATOM 324 CA THR A 21 15.037 9.014 13.090 1.00 50.07 C ATOM 325 C THR A 21 14.236 8.166 14.070 1.00 50.51 C ATOM 326 O THR A 21 13.832 7.048 13.750 1.00 49.49 O ATOM 327 CB THR A 21 14.120 9.444 11.930 1.00 50.14 C ATOM 328 OG1 THR A 21 14.853 10.275 11.020 1.00 49.34 O ATOM 329 CG2 THR A 21 12.918 10.212 12.457 1.00 49.73 C ATOM 0 H THR A 21 16.009 7.378 12.212 1.00 49.53 H new ATOM 0 HA THR A 21 15.403 9.905 13.601 1.00 50.07 H new ATOM 0 HB THR A 21 13.769 8.550 11.414 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.269 10.546 10.282 1.00 49.34 H new ATOM 0 HG21 THR A 21 12.281 10.508 11.623 1.00 49.73 H new ATOM 0 HG22 THR A 21 12.352 9.578 13.139 1.00 49.73 H new ATOM 0 HG23 THR A 21 13.258 11.102 12.987 1.00 49.73 H new ATOM 337 N PRO A 22 14.010 8.704 15.263 1.00 49.71 N ATOM 338 CA PRO A 22 13.348 7.958 16.326 1.00 50.02 C ATOM 339 C PRO A 22 11.869 7.760 16.021 1.00 50.51 C ATOM 340 O PRO A 22 11.249 6.806 16.493 1.00 49.49 O ATOM 341 CB PRO A 22 13.569 8.817 17.582 1.00 49.82 C ATOM 342 CG PRO A 22 13.790 10.212 17.064 1.00 49.82 C ATOM 343 CD PRO A 22 14.548 9.986 15.737 1.00 50.00 C ATOM 0 HA PRO A 22 13.748 6.951 16.447 1.00 50.02 H new ATOM 0 HB2 PRO A 22 12.706 8.775 18.246 1.00 49.82 H new ATOM 0 HB3 PRO A 22 14.429 8.467 18.154 1.00 49.82 H new ATOM 0 HG2 PRO A 22 12.847 10.735 16.904 1.00 49.82 H new ATOM 0 HG3 PRO A 22 14.373 10.812 17.762 1.00 49.82 H new ATOM 0 HD2 PRO A 22 14.362 10.790 15.024 1.00 50.00 H new ATOM 0 HD3 PRO A 22 15.626 9.939 15.891 1.00 50.00 H new ATOM 351 N ARG A 23 11.307 8.666 15.227 1.00 49.53 N ATOM 352 CA ARG A 23 9.915 8.558 14.806 1.00 50.07 C ATOM 353 C ARG A 23 9.727 7.419 13.812 1.00 50.51 C ATOM 354 O ARG A 23 10.516 7.260 12.880 1.00 49.49 O ATOM 355 CB ARG A 23 9.379 9.871 14.257 1.00 49.82 C ATOM 356 CG ARG A 23 9.290 11.001 15.271 1.00 49.82 C ATOM 357 CD ARG A 23 8.832 12.296 14.706 1.00 50.20 C ATOM 358 NE ARG A 23 8.797 13.391 15.662 1.00 49.30 N ATOM 359 CZ ARG A 23 8.447 14.657 15.363 1.00 50.64 C ATOM 360 NH1 ARG A 23 8.139 15.002 14.133 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 8.445 15.551 16.337 1.00 49.20 N ATOM 0 H ARG A 23 11.795 9.484 14.862 1.00 49.53 H new ATOM 0 HA ARG A 23 9.328 8.325 15.695 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.017 10.191 13.433 1.00 49.82 H new ATOM 0 HB3 ARG A 23 8.386 9.696 13.842 1.00 49.82 H new ATOM 0 HG2 ARG A 23 8.608 10.705 16.068 1.00 49.82 H new ATOM 0 HG3 ARG A 23 10.270 11.143 15.726 1.00 49.82 H new ATOM 0 HD2 ARG A 23 9.489 12.571 13.881 1.00 50.20 H new ATOM 0 HD3 ARG A 23 7.834 12.163 14.288 1.00 50.20 H new ATOM 0 HE ARG A 23 9.056 13.186 16.627 1.00 49.30 H new ATOM 0 HH11 ARG A 23 8.163 14.307 13.387 1.00 49.20 H new ATOM 0 HH12 ARG A 23 7.876 15.965 13.924 1.00 49.20 H new ATOM 0 HH21 ARG A 23 8.704 15.274 17.284 1.00 49.20 H new ATOM 0 HH22 ARG A 23 8.185 16.518 16.141 1.00 49.20 H new ATOM 375 N THR A 24 8.679 6.629 14.016 1.00 49.53 N ATOM 376 CA THR A 24 8.420 5.466 13.175 1.00 50.07 C ATOM 377 C THR A 24 8.237 5.872 11.718 1.00 50.51 C ATOM 378 O THR A 24 7.336 6.642 11.386 1.00 49.49 O ATOM 379 CB THR A 24 7.171 4.697 13.643 1.00 50.14 C ATOM 380 OG1 THR A 24 7.328 4.316 15.017 1.00 49.34 O ATOM 381 CG2 THR A 24 6.964 3.450 12.796 1.00 49.73 C ATOM 0 H THR A 24 7.994 6.773 14.758 1.00 49.53 H new ATOM 0 HA THR A 24 9.290 4.815 13.262 1.00 50.07 H new ATOM 0 HB THR A 24 6.302 5.346 13.535 1.00 50.14 H new ATOM 0 HG1 THR A 24 6.532 3.828 15.314 1.00 49.34 H new ATOM 0 HG21 THR A 24 6.077 2.919 13.141 1.00 49.73 H new ATOM 0 HG22 THR A 24 6.833 3.737 11.753 1.00 49.73 H new ATOM 0 HG23 THR A 24 7.834 2.800 12.887 1.00 49.73 H new ATOM 389 N PRO A 25 9.097 5.349 10.851 1.00 49.71 N ATOM 390 CA PRO A 25 9.034 5.656 9.427 1.00 50.02 C ATOM 391 C PRO A 25 7.686 5.260 8.838 1.00 50.51 C ATOM 392 O PRO A 25 7.006 4.376 9.360 1.00 49.49 O ATOM 393 CB PRO A 25 10.192 4.850 8.817 1.00 49.82 C ATOM 394 CG PRO A 25 11.154 4.632 9.952 1.00 49.82 C ATOM 395 CD PRO A 25 10.141 4.362 11.160 1.00 50.00 C ATOM 0 HA PRO A 25 9.129 6.722 9.220 1.00 50.02 H new ATOM 0 HB2 PRO A 25 9.841 3.902 8.409 1.00 49.82 H new ATOM 0 HB3 PRO A 25 10.664 5.394 7.999 1.00 49.82 H new ATOM 0 HG2 PRO A 25 11.818 3.786 9.773 1.00 49.82 H new ATOM 0 HG3 PRO A 25 11.786 5.502 10.130 1.00 49.82 H new ATOM 0 HD2 PRO A 25 9.760 3.341 11.163 1.00 50.00 H new ATOM 0 HD3 PRO A 25 10.600 4.533 12.134 1.00 50.00 H new ATOM 403 N PRO A 26 7.305 5.918 7.749 1.00 49.71 N ATOM 404 CA PRO A 26 6.076 5.581 7.041 1.00 50.02 C ATOM 405 C PRO A 26 6.057 4.112 6.638 1.00 50.51 C ATOM 406 O PRO A 26 7.097 3.452 6.609 1.00 49.49 O ATOM 407 CB PRO A 26 6.078 6.516 5.820 1.00 49.82 C ATOM 408 CG PRO A 26 6.951 7.673 6.219 1.00 49.82 C ATOM 409 CD PRO A 26 8.104 6.919 7.030 1.00 50.00 C ATOM 0 HA PRO A 26 5.185 5.715 7.655 1.00 50.02 H new ATOM 0 HB2 PRO A 26 6.470 6.012 4.937 1.00 49.82 H new ATOM 0 HB3 PRO A 26 5.069 6.848 5.575 1.00 49.82 H new ATOM 0 HG2 PRO A 26 7.340 8.213 5.356 1.00 49.82 H new ATOM 0 HG3 PRO A 26 6.419 8.398 6.836 1.00 49.82 H new ATOM 0 HD2 PRO A 26 8.846 6.465 6.373 1.00 50.00 H new ATOM 0 HD3 PRO A 26 8.641 7.585 7.705 1.00 50.00 H new ATOM 417 N PRO A 27 4.870 3.605 6.327 1.00 49.71 N ATOM 418 CA PRO A 27 4.719 2.224 5.880 1.00 50.02 C ATOM 419 C PRO A 27 5.609 1.934 4.678 1.00 50.51 C ATOM 420 O PRO A 27 5.862 2.814 3.855 1.00 49.49 O ATOM 421 CB PRO A 27 3.226 2.100 5.539 1.00 49.82 C ATOM 422 CG PRO A 27 2.549 3.161 6.365 1.00 49.82 C ATOM 423 CD PRO A 27 3.617 4.364 6.212 1.00 50.00 C ATOM 0 HA PRO A 27 5.024 1.500 6.636 1.00 50.02 H new ATOM 0 HB2 PRO A 27 3.050 2.256 4.475 1.00 49.82 H new ATOM 0 HB3 PRO A 27 2.846 1.108 5.783 1.00 49.82 H new ATOM 0 HG2 PRO A 27 1.565 3.426 5.977 1.00 49.82 H new ATOM 0 HG3 PRO A 27 2.411 2.856 7.402 1.00 49.82 H new ATOM 0 HD2 PRO A 27 3.529 4.881 5.257 1.00 50.00 H new ATOM 0 HD3 PRO A 27 3.512 5.117 6.993 1.00 50.00 H new ATOM 431 N SER A 28 6.080 0.695 4.583 1.00 49.53 N ATOM 432 CA SER A 28 7.036 0.317 3.548 1.00 50.07 C ATOM 433 C SER A 28 6.332 0.007 2.235 1.00 50.51 C ATOM 434 O SER A 28 5.116 -0.180 2.199 1.00 49.49 O ATOM 435 CB SER A 28 7.853 -0.875 4.005 1.00 50.05 C ATOM 436 OG SER A 28 7.072 -2.032 4.128 1.00 49.34 O ATOM 0 H SER A 28 5.815 -0.065 5.210 1.00 49.53 H new ATOM 0 HA SER A 28 7.704 1.161 3.377 1.00 50.07 H new ATOM 0 HB2 SER A 28 8.659 -1.056 3.294 1.00 50.05 H new ATOM 0 HB3 SER A 28 8.319 -0.649 4.964 1.00 50.05 H new ATOM 0 HG SER A 28 7.636 -2.777 4.423 1.00 49.34 H new ATOM 442 N GLN A 29 7.103 -0.046 1.154 1.00 49.53 N ATOM 443 CA GLN A 29 6.574 -0.436 -0.148 1.00 50.07 C ATOM 444 C GLN A 29 5.725 -1.697 -0.041 1.00 50.51 C ATOM 445 O GLN A 29 6.171 -2.713 0.491 1.00 49.49 O ATOM 446 CB GLN A 29 7.714 -0.663 -1.144 1.00 49.82 C ATOM 447 CG GLN A 29 7.254 -0.892 -2.574 1.00 49.82 C ATOM 448 CD GLN A 29 8.415 -1.093 -3.529 1.00 50.55 C ATOM 449 OE1 GLN A 29 9.012 -2.171 -3.585 1.00 49.45 O ATOM 450 NE2 GLN A 29 8.745 -0.052 -4.286 1.00 49.38 N ATOM 0 H GLN A 29 8.098 0.177 1.154 1.00 49.53 H new ATOM 0 HA GLN A 29 5.942 0.377 -0.506 1.00 50.07 H new ATOM 0 HB2 GLN A 29 8.379 0.201 -1.122 1.00 49.82 H new ATOM 0 HB3 GLN A 29 8.299 -1.524 -0.820 1.00 49.82 H new ATOM 0 HG2 GLN A 29 6.603 -1.766 -2.608 1.00 49.82 H new ATOM 0 HG3 GLN A 29 6.660 -0.039 -2.903 1.00 49.82 H new ATOM 0 HE21 GLN A 29 8.224 0.821 -4.207 1.00 49.38 H new ATOM 0 HE22 GLN A 29 9.519 -0.126 -4.946 1.00 49.38 H new ATOM 459 N GLY A 30 4.501 -1.625 -0.552 1.00 49.53 N ATOM 460 CA GLY A 30 3.588 -2.761 -0.517 1.00 49.98 C ATOM 461 C GLY A 30 4.163 -3.952 -1.273 1.00 50.51 C ATOM 462 O GLY A 30 4.130 -5.083 -0.787 1.00 49.49 O ATOM 0 H GLY A 30 4.118 -0.790 -0.996 1.00 49.53 H new ATOM 0 HA2 GLY A 30 3.393 -3.043 0.518 1.00 49.98 H new ATOM 0 HA3 GLY A 30 2.631 -2.476 -0.955 1.00 49.98 H new ATOM 466 N LYS A 31 4.692 -3.692 -2.464 1.00 49.53 N ATOM 467 CA LYS A 31 5.328 -4.732 -3.263 1.00 50.07 C ATOM 468 C LYS A 31 6.565 -5.283 -2.567 1.00 50.51 C ATOM 469 O LYS A 31 6.871 -6.471 -2.671 1.00 49.49 O ATOM 470 CB LYS A 31 5.699 -4.194 -4.646 1.00 49.82 C ATOM 471 CG LYS A 31 4.507 -3.939 -5.561 1.00 49.82 C ATOM 472 CD LYS A 31 4.953 -3.390 -6.909 1.00 49.82 C ATOM 473 CE LYS A 31 3.764 -3.120 -7.819 1.00 50.21 C ATOM 474 NZ LYS A 31 4.183 -2.561 -9.132 1.00 49.70 N1+ ATOM 0 H LYS A 31 4.693 -2.769 -2.897 1.00 49.53 H new ATOM 0 HA LYS A 31 4.612 -5.546 -3.380 1.00 50.07 H new ATOM 0 HB2 LYS A 31 6.254 -3.264 -4.524 1.00 49.82 H new ATOM 0 HB3 LYS A 31 6.369 -4.904 -5.131 1.00 49.82 H new ATOM 0 HG2 LYS A 31 3.954 -4.867 -5.709 1.00 49.82 H new ATOM 0 HG3 LYS A 31 3.825 -3.234 -5.086 1.00 49.82 H new ATOM 0 HD2 LYS A 31 5.516 -2.469 -6.760 1.00 49.82 H new ATOM 0 HD3 LYS A 31 5.626 -4.101 -7.388 1.00 49.82 H new ATOM 0 HE2 LYS A 31 3.212 -4.046 -7.979 1.00 50.21 H new ATOM 0 HE3 LYS A 31 3.083 -2.424 -7.329 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 3.343 -2.392 -9.721 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 4.687 -1.664 -8.982 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 4.812 -3.236 -9.612 1.00 49.70 H new ATOM 488 N GLY A 32 7.275 -4.413 -1.857 1.00 49.53 N ATOM 489 CA GLY A 32 8.459 -4.819 -1.109 1.00 49.98 C ATOM 490 C GLY A 32 8.082 -5.645 0.113 1.00 50.51 C ATOM 491 O GLY A 32 8.858 -6.484 0.571 1.00 49.49 O ATOM 0 H GLY A 32 7.051 -3.421 -1.784 1.00 49.53 H new ATOM 0 HA2 GLY A 32 9.119 -5.399 -1.754 1.00 49.98 H new ATOM 0 HA3 GLY A 32 9.016 -3.935 -0.796 1.00 49.98 H new ATOM 495 N ARG A 33 6.887 -5.403 0.639 1.00 49.53 N ATOM 496 CA ARG A 33 6.374 -6.174 1.765 1.00 50.07 C ATOM 497 C ARG A 33 5.846 -7.529 1.311 1.00 50.51 C ATOM 498 O ARG A 33 5.969 -8.525 2.024 1.00 49.49 O ATOM 499 CB ARG A 33 5.327 -5.406 2.558 1.00 49.82 C ATOM 500 CG ARG A 33 4.818 -6.117 3.803 1.00 49.82 C ATOM 501 CD ARG A 33 3.925 -5.292 4.656 1.00 50.20 C ATOM 502 NE ARG A 33 3.447 -5.964 5.853 1.00 49.30 N ATOM 503 CZ ARG A 33 2.560 -5.441 6.722 1.00 50.64 C ATOM 504 NH1 ARG A 33 2.080 -4.230 6.552 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 2.202 -6.171 7.764 1.00 49.20 N ATOM 0 H ARG A 33 6.254 -4.677 0.303 1.00 49.53 H new ATOM 0 HA ARG A 33 7.212 -6.351 2.439 1.00 50.07 H new ATOM 0 HB2 ARG A 33 5.748 -4.445 2.853 1.00 49.82 H new ATOM 0 HB3 ARG A 33 4.480 -5.196 1.905 1.00 49.82 H new ATOM 0 HG2 ARG A 33 4.282 -7.017 3.500 1.00 49.82 H new ATOM 0 HG3 ARG A 33 5.673 -6.440 4.398 1.00 49.82 H new ATOM 0 HD2 ARG A 33 4.458 -4.388 4.950 1.00 50.20 H new ATOM 0 HD3 ARG A 33 3.066 -4.977 4.063 1.00 50.20 H new ATOM 0 HE ARG A 33 3.809 -6.897 6.049 1.00 49.30 H new ATOM 0 HH11 ARG A 33 2.378 -3.671 5.753 1.00 49.20 H new ATOM 0 HH12 ARG A 33 1.409 -3.849 7.219 1.00 49.20 H new ATOM 0 HH21 ARG A 33 2.595 -7.103 7.893 1.00 49.20 H new ATOM 0 HH22 ARG A 33 1.532 -5.802 8.439 1.00 49.20 H new ATOM 519 N GLY A 34 5.259 -7.561 0.119 1.00 49.53 N ATOM 520 CA GLY A 34 4.706 -8.792 -0.431 1.00 49.98 C ATOM 521 C GLY A 34 3.187 -8.724 -0.515 1.00 50.51 C ATOM 522 O GLY A 34 2.514 -9.751 -0.600 1.00 49.49 O ATOM 0 H GLY A 34 5.154 -6.746 -0.485 1.00 49.53 H new ATOM 0 HA2 GLY A 34 5.120 -8.968 -1.424 1.00 49.98 H new ATOM 0 HA3 GLY A 34 5.001 -9.636 0.192 1.00 49.98 H new ATOM 526 N LEU A 35 2.651 -7.509 -0.493 1.00 49.53 N ATOM 527 CA LEU A 35 1.210 -7.304 -0.569 1.00 50.07 C ATOM 528 C LEU A 35 0.804 -6.740 -1.925 1.00 50.51 C ATOM 529 O LEU A 35 1.599 -6.082 -2.597 1.00 49.49 O ATOM 530 CB LEU A 35 0.746 -6.371 0.557 1.00 49.82 C ATOM 531 CG LEU A 35 1.097 -6.836 1.977 1.00 49.91 C ATOM 532 CD1 LEU A 35 0.635 -5.802 2.994 1.00 49.73 C ATOM 533 CD2 LEU A 35 0.447 -8.186 2.245 1.00 49.73 C ATOM 0 H LEU A 35 3.195 -6.649 -0.423 1.00 49.53 H new ATOM 0 HA LEU A 35 0.725 -8.273 -0.449 1.00 50.07 H new ATOM 0 HB2 LEU A 35 1.185 -5.386 0.395 1.00 49.82 H new ATOM 0 HB3 LEU A 35 -0.335 -6.253 0.487 1.00 49.82 H new ATOM 0 HG LEU A 35 2.178 -6.943 2.068 1.00 49.91 H new ATOM 0 HD11 LEU A 35 0.889 -6.141 3.998 1.00 49.73 H new ATOM 0 HD12 LEU A 35 1.130 -4.851 2.796 1.00 49.73 H new ATOM 0 HD13 LEU A 35 -0.444 -5.672 2.916 1.00 49.73 H new ATOM 0 HD21 LEU A 35 0.696 -8.516 3.253 1.00 49.73 H new ATOM 0 HD22 LEU A 35 -0.635 -8.094 2.150 1.00 49.73 H new ATOM 0 HD23 LEU A 35 0.814 -8.916 1.523 1.00 49.73 H new ATOM 545 N SER A 36 -0.436 -7.002 -2.322 1.00 49.53 N ATOM 546 CA SER A 36 -0.955 -6.507 -3.591 1.00 50.07 C ATOM 547 C SER A 36 -2.463 -6.699 -3.682 1.00 50.51 C ATOM 548 O SER A 36 -3.085 -6.341 -4.682 1.00 49.49 O ATOM 549 CB SER A 36 -0.263 -7.203 -4.746 1.00 50.05 C ATOM 550 OG SER A 36 -0.775 -6.799 -5.987 1.00 49.34 O ATOM 0 H SER A 36 -1.101 -7.555 -1.782 1.00 49.53 H new ATOM 0 HA SER A 36 -0.750 -5.438 -3.647 1.00 50.07 H new ATOM 0 HB2 SER A 36 0.806 -6.991 -4.709 1.00 50.05 H new ATOM 0 HB3 SER A 36 -0.378 -8.282 -4.640 1.00 50.05 H new ATOM 0 HG SER A 36 -1.728 -6.591 -5.896 1.00 49.34 H new TER 556 SER A 36