USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=8 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+ -109:sc= 0.0952 (180deg=0) USER MOD Single : A 1 SER OG : rot -140:sc= -0.013 USER MOD Single : A 2 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.061) USER MOD Single : A 3 HIS : no HD1:sc= 0.811 K(o=0.81,f=-6.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 10 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.2!) USER MOD Single : A 14 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.95) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0.92 (180deg=0.92) USER MOD Single : A 18 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.5!) 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 -95:sc= 0.872 USER MOD Single : A 29 GLN : amide:sc= 0.556 K(o=0.56,f=-0.0065) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -30:sc= 0.793 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 49.53 N ATOM 2 CA SER A 1 0.766 1.240 0.000 1.00 50.07 C ATOM 3 C SER A 1 -0.153 2.455 0.000 1.00 50.51 C ATOM 4 O SER A 1 -1.355 2.336 -0.234 1.00 49.49 O ATOM 5 CB SER A 1 1.695 1.281 -1.198 1.00 50.05 C ATOM 6 OG SER A 1 0.991 1.357 -2.407 1.00 49.34 O ATOM 0 H1 SER A 1 0.089 -0.463 0.927 1.00 49.53 H new ATOM 0 H2 SER A 1 -1.001 0.210 -0.187 1.00 49.53 H new ATOM 0 H3 SER A 1 0.365 -0.633 -0.740 1.00 49.53 H new ATOM 0 HA SER A 1 1.362 1.270 0.912 1.00 50.07 H new ATOM 0 HB2 SER A 1 2.360 2.140 -1.111 1.00 50.05 H new ATOM 0 HB3 SER A 1 2.323 0.390 -1.200 1.00 50.05 H new ATOM 0 HG SER A 1 1.427 0.788 -3.076 1.00 49.34 H new ATOM 12 N GLN A 2 0.421 3.625 0.264 1.00 49.53 N ATOM 13 CA GLN A 2 -0.354 4.857 0.343 1.00 50.07 C ATOM 14 C GLN A 2 -0.242 5.662 -0.945 1.00 50.51 C ATOM 15 O GLN A 2 0.686 5.469 -1.730 1.00 49.49 O ATOM 16 CB GLN A 2 0.114 5.709 1.526 1.00 49.82 C ATOM 17 CG GLN A 2 0.010 5.015 2.873 1.00 49.82 C ATOM 18 CD GLN A 2 -1.421 4.673 3.239 1.00 50.55 C ATOM 19 OE1 GLN A 2 -2.300 5.539 3.243 1.00 49.45 O ATOM 20 NE2 GLN A 2 -1.664 3.405 3.553 1.00 49.38 N ATOM 0 H GLN A 2 1.421 3.745 0.427 1.00 49.53 H new ATOM 0 HA GLN A 2 -1.399 4.582 0.489 1.00 50.07 H new ATOM 0 HB2 GLN A 2 1.151 6.003 1.360 1.00 49.82 H new ATOM 0 HB3 GLN A 2 -0.476 6.625 1.555 1.00 49.82 H new ATOM 0 HG2 GLN A 2 0.605 4.102 2.855 1.00 49.82 H new ATOM 0 HG3 GLN A 2 0.435 5.658 3.644 1.00 49.82 H new ATOM 0 HE21 GLN A 2 -0.907 2.721 3.537 1.00 49.38 H new ATOM 0 HE22 GLN A 2 -2.607 3.115 3.810 1.00 49.38 H new ATOM 29 N HIS A 3 -1.195 6.564 -1.158 1.00 49.53 N ATOM 30 CA HIS A 3 -1.208 7.396 -2.355 1.00 50.07 C ATOM 31 C HIS A 3 -0.734 8.811 -2.047 1.00 50.51 C ATOM 32 O HIS A 3 -0.990 9.340 -0.966 1.00 49.49 O ATOM 33 CB HIS A 3 -2.610 7.436 -2.972 1.00 49.92 C ATOM 34 CG HIS A 3 -3.238 6.086 -3.125 1.00 50.22 C ATOM 35 ND1 HIS A 3 -2.985 5.266 -4.205 1.00 49.30 N ATOM 36 CD2 HIS A 3 -4.109 5.412 -2.337 1.00 49.95 C ATOM 37 CE1 HIS A 3 -3.673 4.145 -4.073 1.00 50.25 C ATOM 38 NE2 HIS A 3 -4.362 4.210 -2.949 1.00 49.64 N ATOM 0 H HIS A 3 -1.969 6.737 -0.516 1.00 49.53 H new ATOM 0 HA HIS A 3 -0.519 6.951 -3.073 1.00 50.07 H new ATOM 0 HB2 HIS A 3 -3.254 8.058 -2.350 1.00 49.92 H new ATOM 0 HB3 HIS A 3 -2.554 7.914 -3.950 1.00 49.92 H new ATOM 0 HD2 HIS A 3 -4.526 5.756 -1.402 1.00 49.95 H new ATOM 0 HE1 HIS A 3 -3.672 3.317 -4.767 1.00 50.25 H new ATOM 0 HE2 HIS A 3 -4.983 3.483 -2.593 1.00 49.64 H new ATOM 46 N GLY A 4 -0.041 9.419 -3.004 1.00 49.53 N ATOM 47 CA GLY A 4 0.490 10.765 -2.828 1.00 49.98 C ATOM 48 C GLY A 4 1.406 11.151 -3.982 1.00 50.51 C ATOM 49 O GLY A 4 1.368 10.538 -5.049 1.00 49.49 O ATOM 0 H GLY A 4 0.166 9.000 -3.911 1.00 49.53 H new ATOM 0 HA2 GLY A 4 -0.332 11.477 -2.759 1.00 49.98 H new ATOM 0 HA3 GLY A 4 1.040 10.822 -1.889 1.00 49.98 H new ATOM 53 N ARG A 5 2.229 12.170 -3.762 1.00 49.53 N ATOM 54 CA ARG A 5 3.204 12.597 -4.759 1.00 50.07 C ATOM 55 C ARG A 5 4.614 12.178 -4.366 1.00 50.51 C ATOM 56 O ARG A 5 5.596 12.654 -4.937 1.00 49.49 O ATOM 57 CB ARG A 5 3.124 14.091 -5.037 1.00 49.82 C ATOM 58 CG ARG A 5 1.818 14.558 -5.659 1.00 49.82 C ATOM 59 CD ARG A 5 1.761 16.014 -5.943 1.00 50.20 C ATOM 60 NE ARG A 5 0.522 16.459 -6.563 1.00 49.30 N ATOM 61 CZ ARG A 5 0.221 17.745 -6.833 1.00 50.64 C ATOM 62 NH1 ARG A 5 1.044 18.716 -6.507 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -0.938 18.005 -7.413 1.00 49.20 N ATOM 0 H ARG A 5 2.240 12.717 -2.901 1.00 49.53 H new ATOM 0 HA ARG A 5 2.953 12.089 -5.690 1.00 50.07 H new ATOM 0 HB2 ARG A 5 3.276 14.628 -4.101 1.00 49.82 H new ATOM 0 HB3 ARG A 5 3.944 14.367 -5.700 1.00 49.82 H new ATOM 0 HG2 ARG A 5 1.657 14.012 -6.589 1.00 49.82 H new ATOM 0 HG3 ARG A 5 0.998 14.298 -4.990 1.00 49.82 H new ATOM 0 HD2 ARG A 5 1.902 16.559 -5.010 1.00 50.20 H new ATOM 0 HD3 ARG A 5 2.594 16.277 -6.595 1.00 50.20 H new ATOM 0 HE ARG A 5 -0.167 15.748 -6.811 1.00 49.30 H new ATOM 0 HH11 ARG A 5 1.926 18.502 -6.042 1.00 49.20 H new ATOM 0 HH12 ARG A 5 0.800 19.684 -6.719 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -1.575 17.243 -7.643 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -1.195 18.968 -7.630 1.00 49.20 H new ATOM 77 N THR A 6 4.709 11.283 -3.388 1.00 49.53 N ATOM 78 CA THR A 6 6.001 10.843 -2.875 1.00 50.07 C ATOM 79 C THR A 6 6.407 9.505 -3.479 1.00 50.51 C ATOM 80 O THR A 6 5.576 8.613 -3.650 1.00 49.49 O ATOM 81 CB THR A 6 5.986 10.718 -1.340 1.00 50.14 C ATOM 82 OG1 THR A 6 5.725 12.001 -0.756 1.00 49.34 O ATOM 83 CG2 THR A 6 7.323 10.198 -0.834 1.00 49.73 C ATOM 0 H THR A 6 3.906 10.848 -2.935 1.00 49.53 H new ATOM 0 HA THR A 6 6.728 11.603 -3.162 1.00 50.07 H new ATOM 0 HB THR A 6 5.203 10.015 -1.056 1.00 50.14 H new ATOM 0 HG1 THR A 6 5.714 11.920 0.221 1.00 49.34 H new ATOM 0 HG21 THR A 6 7.294 10.116 0.253 1.00 49.73 H new ATOM 0 HG22 THR A 6 7.519 9.217 -1.267 1.00 49.73 H new ATOM 0 HG23 THR A 6 8.115 10.888 -1.125 1.00 49.73 H new ATOM 91 N GLN A 7 7.689 9.372 -3.800 1.00 49.53 N ATOM 92 CA GLN A 7 8.199 8.161 -4.432 1.00 50.07 C ATOM 93 C GLN A 7 8.061 6.957 -3.508 1.00 50.51 C ATOM 94 O GLN A 7 8.291 7.058 -2.303 1.00 49.49 O ATOM 95 CB GLN A 7 9.666 8.340 -4.830 1.00 49.82 C ATOM 96 CG GLN A 7 10.268 7.144 -5.547 1.00 49.82 C ATOM 97 CD GLN A 7 11.692 7.399 -6.004 1.00 50.55 C ATOM 98 OE1 GLN A 7 12.242 8.483 -5.791 1.00 49.45 O ATOM 99 NE2 GLN A 7 12.295 6.401 -6.640 1.00 49.38 N ATOM 0 H GLN A 7 8.395 10.089 -3.633 1.00 49.53 H new ATOM 0 HA GLN A 7 7.604 7.980 -5.327 1.00 50.07 H new ATOM 0 HB2 GLN A 7 9.752 9.216 -5.473 1.00 49.82 H new ATOM 0 HB3 GLN A 7 10.251 8.544 -3.934 1.00 49.82 H new ATOM 0 HG2 GLN A 7 10.252 6.280 -4.883 1.00 49.82 H new ATOM 0 HG3 GLN A 7 9.652 6.894 -6.410 1.00 49.82 H new ATOM 0 HE21 GLN A 7 11.801 5.522 -6.794 1.00 49.38 H new ATOM 0 HE22 GLN A 7 13.252 6.514 -6.975 1.00 49.38 H new ATOM 108 N ASP A 8 7.683 5.819 -4.080 1.00 49.53 N ATOM 109 CA ASP A 8 7.594 4.575 -3.324 1.00 50.07 C ATOM 110 C ASP A 8 8.835 4.360 -2.468 1.00 50.51 C ATOM 111 O ASP A 8 9.922 4.102 -2.986 1.00 49.49 O ATOM 112 CB ASP A 8 7.395 3.387 -4.269 1.00 49.72 C ATOM 113 CG ASP A 8 7.270 2.041 -3.568 1.00 50.62 C ATOM 114 OD1 ASP A 8 7.429 1.999 -2.371 1.00 49.24 O ATOM 115 OD2 ASP A 8 6.865 1.098 -4.205 1.00 49.24 O1- ATOM 0 H ASP A 8 7.433 5.732 -5.065 1.00 49.53 H new ATOM 0 HA ASP A 8 6.732 4.649 -2.661 1.00 50.07 H new ATOM 0 HB2 ASP A 8 6.498 3.558 -4.864 1.00 49.72 H new ATOM 0 HB3 ASP A 8 8.235 3.345 -4.963 1.00 49.72 H new ATOM 120 N GLU A 9 8.667 4.469 -1.154 1.00 49.53 N ATOM 121 CA GLU A 9 9.776 4.293 -0.223 1.00 50.07 C ATOM 122 C GLU A 9 10.155 2.824 -0.090 1.00 50.51 C ATOM 123 O GLU A 9 9.298 1.969 0.132 1.00 49.49 O ATOM 124 CB GLU A 9 9.419 4.870 1.149 1.00 49.82 C ATOM 125 CG GLU A 9 10.551 4.819 2.165 1.00 49.72 C ATOM 126 CD GLU A 9 10.184 5.547 3.428 1.00 50.62 C ATOM 127 OE1 GLU A 9 9.988 6.737 3.370 1.00 49.24 O ATOM 128 OE2 GLU A 9 9.989 4.898 4.429 1.00 49.24 O1- ATOM 0 H GLU A 9 7.773 4.678 -0.710 1.00 49.53 H new ATOM 0 HA GLU A 9 10.635 4.832 -0.622 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.106 5.906 1.024 1.00 49.82 H new ATOM 0 HB3 GLU A 9 8.564 4.325 1.548 1.00 49.82 H new ATOM 0 HG2 GLU A 9 10.788 3.781 2.397 1.00 49.72 H new ATOM 0 HG3 GLU A 9 11.449 5.262 1.735 1.00 49.72 H new ATOM 135 N ASN A 10 11.445 2.537 -0.227 1.00 49.53 N ATOM 136 CA ASN A 10 11.951 1.181 -0.050 1.00 50.07 C ATOM 137 C ASN A 10 12.000 0.799 1.424 1.00 50.51 C ATOM 138 O ASN A 10 12.202 1.651 2.289 1.00 49.49 O ATOM 139 CB ASN A 10 13.322 1.013 -0.680 1.00 49.82 C ATOM 140 CG ASN A 10 13.300 1.013 -2.184 1.00 50.55 C ATOM 141 OD1 ASN A 10 12.272 0.731 -2.810 1.00 49.45 O ATOM 142 ND2 ASN A 10 14.449 1.247 -2.765 1.00 49.38 N ATOM 0 H ASN A 10 12.160 3.226 -0.460 1.00 49.53 H new ATOM 0 HA ASN A 10 11.258 0.511 -0.558 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.972 1.817 -0.335 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.760 0.078 -0.332 1.00 49.82 H new ATOM 0 HD21 ASN A 10 14.526 1.201 -3.781 1.00 49.38 H new ATOM 0 HD22 ASN A 10 15.268 1.476 -2.202 1.00 49.38 H new ATOM 149 N PRO A 11 11.813 -0.486 1.703 1.00 49.71 N ATOM 150 CA PRO A 11 11.886 -0.992 3.069 1.00 50.02 C ATOM 151 C PRO A 11 13.279 -0.796 3.654 1.00 50.51 C ATOM 152 O PRO A 11 13.440 -0.661 4.867 1.00 49.49 O ATOM 153 CB PRO A 11 11.516 -2.479 2.939 1.00 49.82 C ATOM 154 CG PRO A 11 11.811 -2.828 1.507 1.00 49.82 C ATOM 155 CD PRO A 11 11.510 -1.547 0.734 1.00 50.00 C ATOM 0 HA PRO A 11 11.218 -0.466 3.751 1.00 50.02 H new ATOM 0 HB2 PRO A 11 12.101 -3.093 3.624 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.466 -2.647 3.178 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.849 -3.135 1.379 1.00 49.82 H new ATOM 0 HG3 PRO A 11 11.189 -3.655 1.163 1.00 49.82 H new ATOM 0 HD2 PRO A 11 12.127 -1.463 -0.160 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.470 -1.509 0.408 1.00 50.00 H new ATOM 163 N VAL A 12 14.284 -0.783 2.785 1.00 49.53 N ATOM 164 CA VAL A 12 15.653 -0.503 3.201 1.00 50.07 C ATOM 165 C VAL A 12 15.813 0.951 3.628 1.00 50.51 C ATOM 166 O VAL A 12 16.471 1.246 4.625 1.00 49.49 O ATOM 167 CB VAL A 12 16.660 -0.812 2.077 1.00 49.91 C ATOM 168 CG1 VAL A 12 18.053 -0.340 2.466 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.670 -2.300 1.765 1.00 49.73 C ATOM 0 H VAL A 12 14.176 -0.963 1.787 1.00 49.53 H new ATOM 0 HA VAL A 12 15.862 -1.153 4.051 1.00 50.07 H new ATOM 0 HB VAL A 12 16.351 -0.274 1.180 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.752 -0.566 1.661 1.00 49.73 H new ATOM 0 HG12 VAL A 12 18.037 0.736 2.641 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.370 -0.851 3.375 1.00 49.73 H new ATOM 0 HG21 VAL A 12 17.387 -2.500 0.969 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.954 -2.857 2.658 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.676 -2.611 1.445 1.00 49.73 H new ATOM 179 N VAL A 13 15.208 1.856 2.866 1.00 49.53 N ATOM 180 CA VAL A 13 15.188 3.269 3.224 1.00 50.07 C ATOM 181 C VAL A 13 14.413 3.499 4.515 1.00 50.51 C ATOM 182 O VAL A 13 14.810 4.308 5.354 1.00 49.49 O ATOM 183 CB VAL A 13 14.568 4.127 2.105 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.379 5.561 2.577 1.00 49.73 C ATOM 185 CG2 VAL A 13 15.439 4.087 0.859 1.00 49.73 C ATOM 0 H VAL A 13 14.724 1.635 1.995 1.00 49.53 H new ATOM 0 HA VAL A 13 16.225 3.571 3.368 1.00 50.07 H new ATOM 0 HB VAL A 13 13.590 3.714 1.855 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.940 6.153 1.774 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.716 5.575 3.442 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.345 5.983 2.853 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.986 4.698 0.079 1.00 49.73 H new ATOM 0 HG22 VAL A 13 16.430 4.475 1.095 1.00 49.73 H new ATOM 0 HG23 VAL A 13 15.526 3.058 0.509 1.00 49.73 H new ATOM 195 N HIS A 14 13.304 2.782 4.670 1.00 49.53 N ATOM 196 CA HIS A 14 12.522 2.838 5.899 1.00 50.07 C ATOM 197 C HIS A 14 13.361 2.436 7.105 1.00 50.51 C ATOM 198 O HIS A 14 13.322 3.092 8.146 1.00 49.49 O ATOM 199 CB HIS A 14 11.288 1.935 5.796 1.00 49.92 C ATOM 200 CG HIS A 14 10.435 1.939 7.026 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.622 3.000 7.364 1.00 49.30 N ATOM 202 CD2 HIS A 14 10.269 1.013 7.999 1.00 49.95 C ATOM 203 CE1 HIS A 14 8.991 2.725 8.493 1.00 50.25 C ATOM 204 NE2 HIS A 14 9.367 1.526 8.898 1.00 49.64 N ATOM 0 H HIS A 14 12.927 2.155 3.959 1.00 49.53 H new ATOM 0 HA HIS A 14 12.196 3.869 6.036 1.00 50.07 H new ATOM 0 HB2 HIS A 14 10.685 2.254 4.946 1.00 49.92 H new ATOM 0 HB3 HIS A 14 11.612 0.914 5.592 1.00 49.92 H new ATOM 0 HD2 HIS A 14 10.755 0.050 8.057 1.00 49.95 H new ATOM 0 HE1 HIS A 14 8.288 3.371 8.998 1.00 50.25 H new ATOM 0 HE2 HIS A 14 9.040 1.057 9.742 1.00 49.64 H new ATOM 212 N PHE A 15 14.119 1.356 6.958 1.00 49.53 N ATOM 213 CA PHE A 15 14.996 0.884 8.024 1.00 50.07 C ATOM 214 C PHE A 15 16.078 1.909 8.340 1.00 50.51 C ATOM 215 O PHE A 15 16.388 2.159 9.505 1.00 49.49 O ATOM 216 CB PHE A 15 15.632 -0.453 7.641 1.00 49.82 C ATOM 217 CG PHE A 15 14.642 -1.570 7.476 1.00 50.00 C ATOM 218 CD1 PHE A 15 13.352 -1.452 7.973 1.00 49.88 C ATOM 219 CD2 PHE A 15 14.998 -2.742 6.826 1.00 49.88 C ATOM 220 CE1 PHE A 15 12.440 -2.480 7.822 1.00 49.88 C ATOM 221 CE2 PHE A 15 14.088 -3.770 6.673 1.00 49.88 C ATOM 222 CZ PHE A 15 12.808 -3.639 7.172 1.00 49.88 C ATOM 0 H PHE A 15 14.144 0.790 6.110 1.00 49.53 H new ATOM 0 HA PHE A 15 14.389 0.743 8.918 1.00 50.07 H new ATOM 0 HB2 PHE A 15 16.184 -0.329 6.709 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.357 -0.732 8.406 1.00 49.82 H new ATOM 0 HD1 PHE A 15 13.057 -0.547 8.483 1.00 49.88 H new ATOM 0 HD2 PHE A 15 15.999 -2.852 6.435 1.00 49.88 H new ATOM 0 HE1 PHE A 15 11.439 -2.375 8.213 1.00 49.88 H new ATOM 0 HE2 PHE A 15 14.378 -4.676 6.163 1.00 49.88 H new ATOM 0 HZ PHE A 15 12.096 -4.443 7.054 1.00 49.88 H new ATOM 232 N PHE A 16 16.650 2.499 7.296 1.00 49.53 N ATOM 233 CA PHE A 16 17.618 3.577 7.461 1.00 50.07 C ATOM 234 C PHE A 16 17.039 4.714 8.293 1.00 50.51 C ATOM 235 O PHE A 16 17.670 5.188 9.238 1.00 49.49 O ATOM 236 CB PHE A 16 18.071 4.101 6.097 1.00 49.82 C ATOM 237 CG PHE A 16 18.967 5.304 6.177 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.314 5.165 6.476 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.465 6.577 5.956 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.140 6.271 6.550 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.287 7.685 6.028 1.00 49.88 C ATOM 242 CZ PHE A 16 20.626 7.531 6.326 1.00 49.88 C ATOM 0 H PHE A 16 16.460 2.249 6.326 1.00 49.53 H new ATOM 0 HA PHE A 16 18.481 3.173 7.990 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.594 3.305 5.568 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.191 4.353 5.505 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.723 4.181 6.653 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.418 6.704 5.725 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.187 6.148 6.783 1.00 49.88 H new ATOM 0 HE2 PHE A 16 18.882 8.671 5.851 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.270 8.396 6.384 1.00 49.88 H new ATOM 252 N LYS A 17 15.835 5.148 7.937 1.00 49.53 N ATOM 253 CA LYS A 17 15.176 6.243 8.639 1.00 50.07 C ATOM 254 C LYS A 17 14.857 5.861 10.078 1.00 50.51 C ATOM 255 O LYS A 17 14.861 6.709 10.971 1.00 49.49 O ATOM 256 CB LYS A 17 13.897 6.655 7.908 1.00 49.82 C ATOM 257 CG LYS A 17 14.131 7.387 6.594 1.00 49.82 C ATOM 258 CD LYS A 17 12.817 7.801 5.948 1.00 49.82 C ATOM 259 CE LYS A 17 13.051 8.541 4.640 1.00 50.21 C ATOM 260 NZ LYS A 17 11.773 8.942 3.992 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.295 4.757 7.165 1.00 49.53 H new ATOM 0 HA LYS A 17 15.862 7.090 8.655 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.302 5.763 7.712 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.307 7.294 8.565 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.745 8.270 6.772 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.687 6.744 5.912 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.206 6.917 5.764 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.258 8.438 6.633 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.656 9.428 4.828 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.619 7.906 3.960 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 11.976 9.428 3.095 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.198 8.096 3.804 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.250 9.583 4.623 1.00 49.70 H new ATOM 274 N ASN A 18 14.582 4.580 10.298 1.00 49.53 N ATOM 275 CA ASN A 18 14.383 4.059 11.646 1.00 50.07 C ATOM 276 C ASN A 18 15.630 4.250 12.499 1.00 50.51 C ATOM 277 O ASN A 18 15.540 4.497 13.702 1.00 49.49 O ATOM 278 CB ASN A 18 13.982 2.596 11.622 1.00 49.82 C ATOM 279 CG ASN A 18 12.547 2.368 11.237 1.00 50.55 C ATOM 280 OD1 ASN A 18 11.701 3.262 11.355 1.00 49.45 O ATOM 281 ND2 ASN A 18 12.251 1.152 10.853 1.00 49.38 N ATOM 0 H ASN A 18 14.492 3.882 9.559 1.00 49.53 H new ATOM 0 HA ASN A 18 13.568 4.627 12.094 1.00 50.07 H new ATOM 0 HB2 ASN A 18 14.626 2.064 10.922 1.00 49.82 H new ATOM 0 HB3 ASN A 18 14.157 2.164 12.607 1.00 49.82 H new ATOM 0 HD21 ASN A 18 11.285 0.907 10.636 1.00 49.38 H new ATOM 0 HD22 ASN A 18 12.986 0.450 10.771 1.00 49.38 H new ATOM 288 N ILE A 19 16.795 4.133 11.870 1.00 49.53 N ATOM 289 CA ILE A 19 18.063 4.230 12.582 1.00 50.07 C ATOM 290 C ILE A 19 18.405 5.679 12.905 1.00 50.51 C ATOM 291 O ILE A 19 18.817 5.996 14.021 1.00 49.49 O ATOM 292 CB ILE A 19 19.216 3.609 11.771 1.00 49.91 C ATOM 293 CG1 ILE A 19 19.014 2.098 11.628 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.553 3.911 12.430 1.00 49.73 C ATOM 295 CD1 ILE A 19 19.931 1.453 10.614 1.00 49.73 C ATOM 0 H ILE A 19 16.887 3.971 10.867 1.00 49.53 H new ATOM 0 HA ILE A 19 17.944 3.673 13.511 1.00 50.07 H new ATOM 0 HB ILE A 19 19.218 4.052 10.775 1.00 49.91 H new ATOM 0 HG12 ILE A 19 19.171 1.626 12.598 1.00 49.82 H new ATOM 0 HG13 ILE A 19 17.980 1.904 11.344 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.357 3.465 11.844 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.698 4.990 12.482 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.564 3.495 13.437 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.729 0.383 10.569 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.758 1.896 9.633 1.00 49.73 H new ATOM 0 HD13 ILE A 19 20.968 1.614 10.907 1.00 49.73 H new ATOM 307 N VAL A 20 18.231 6.556 11.921 1.00 49.53 N ATOM 308 CA VAL A 20 18.751 7.915 12.006 1.00 50.07 C ATOM 309 C VAL A 20 17.682 8.884 12.495 1.00 50.51 C ATOM 310 O VAL A 20 17.988 9.996 12.925 1.00 49.49 O ATOM 311 CB VAL A 20 19.287 8.401 10.647 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.363 7.457 10.130 1.00 49.73 C ATOM 313 CG2 VAL A 20 18.155 8.518 9.638 1.00 49.73 C ATOM 0 H VAL A 20 17.733 6.349 11.055 1.00 49.53 H new ATOM 0 HA VAL A 20 19.572 7.893 12.723 1.00 50.07 H new ATOM 0 HB VAL A 20 19.730 9.387 10.785 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.731 7.816 9.169 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.187 7.420 10.842 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.943 6.459 10.008 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.553 8.863 8.683 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.684 7.544 9.505 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.416 9.231 10.002 1.00 49.73 H new ATOM 323 N THR A 21 16.426 8.455 12.426 1.00 49.53 N ATOM 324 CA THR A 21 15.308 9.289 12.852 1.00 50.07 C ATOM 325 C THR A 21 14.429 8.559 13.860 1.00 50.51 C ATOM 326 O THR A 21 13.875 7.501 13.563 1.00 49.49 O ATOM 327 CB THR A 21 14.443 9.727 11.655 1.00 50.14 C ATOM 328 OG1 THR A 21 15.251 10.452 10.719 1.00 49.34 O ATOM 329 CG2 THR A 21 13.297 10.612 12.122 1.00 49.73 C ATOM 0 H THR A 21 16.157 7.534 12.079 1.00 49.53 H new ATOM 0 HA THR A 21 15.737 10.174 13.322 1.00 50.07 H new ATOM 0 HB THR A 21 14.031 8.838 11.178 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.700 10.729 9.957 1.00 49.34 H new ATOM 0 HG21 THR A 21 12.696 10.912 11.264 1.00 49.73 H new ATOM 0 HG22 THR A 21 12.674 10.060 12.826 1.00 49.73 H new ATOM 0 HG23 THR A 21 13.699 11.499 12.612 1.00 49.73 H new ATOM 337 N PRO A 22 14.306 9.131 15.053 1.00 49.71 N ATOM 338 CA PRO A 22 13.535 8.511 16.123 1.00 50.02 C ATOM 339 C PRO A 22 12.040 8.583 15.839 1.00 50.51 C ATOM 340 O PRO A 22 11.264 7.765 16.331 1.00 49.49 O ATOM 341 CB PRO A 22 13.924 9.310 17.378 1.00 49.82 C ATOM 342 CG PRO A 22 14.343 10.659 16.864 1.00 49.82 C ATOM 343 CD PRO A 22 15.073 10.292 15.522 1.00 50.00 C ATOM 0 HA PRO A 22 13.749 7.448 16.235 1.00 50.02 H new ATOM 0 HB2 PRO A 22 13.085 9.394 18.069 1.00 49.82 H new ATOM 0 HB3 PRO A 22 14.736 8.824 17.920 1.00 49.82 H new ATOM 0 HG2 PRO A 22 13.488 11.314 16.696 1.00 49.82 H new ATOM 0 HG3 PRO A 22 15.006 11.172 17.561 1.00 49.82 H new ATOM 0 HD2 PRO A 22 15.045 11.114 14.806 1.00 50.00 H new ATOM 0 HD3 PRO A 22 16.123 10.047 15.684 1.00 50.00 H new ATOM 351 N ARG A 23 11.642 9.568 15.041 1.00 49.53 N ATOM 352 CA ARG A 23 10.249 9.712 14.637 1.00 50.07 C ATOM 353 C ARG A 23 9.877 8.696 13.566 1.00 50.51 C ATOM 354 O ARG A 23 10.661 8.424 12.656 1.00 49.49 O ATOM 355 CB ARG A 23 9.922 11.131 14.196 1.00 49.82 C ATOM 356 CG ARG A 23 10.059 12.187 15.282 1.00 49.82 C ATOM 357 CD ARG A 23 9.839 13.579 14.814 1.00 50.20 C ATOM 358 NE ARG A 23 10.028 14.595 15.837 1.00 49.30 N ATOM 359 CZ ARG A 23 9.994 15.923 15.611 1.00 50.64 C ATOM 360 NH1 ARG A 23 9.816 16.400 14.399 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 10.168 16.736 16.639 1.00 49.20 N ATOM 0 H ARG A 23 12.266 10.280 14.661 1.00 49.53 H new ATOM 0 HA ARG A 23 9.639 9.507 15.517 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.576 11.398 13.366 1.00 49.82 H new ATOM 0 HB3 ARG A 23 8.900 11.152 13.816 1.00 49.82 H new ATOM 0 HG2 ARG A 23 9.347 11.967 16.078 1.00 49.82 H new ATOM 0 HG3 ARG A 23 11.056 12.116 15.717 1.00 49.82 H new ATOM 0 HD2 ARG A 23 10.519 13.783 13.987 1.00 50.20 H new ATOM 0 HD3 ARG A 23 8.826 13.661 14.421 1.00 50.20 H new ATOM 0 HE ARG A 23 10.198 14.281 16.792 1.00 49.30 H new ATOM 0 HH11 ARG A 23 9.701 15.762 13.612 1.00 49.20 H new ATOM 0 HH12 ARG A 23 9.793 17.408 14.246 1.00 49.20 H new ATOM 0 HH21 ARG A 23 10.323 16.353 17.572 1.00 49.20 H new ATOM 0 HH22 ARG A 23 10.148 17.746 16.499 1.00 49.20 H new ATOM 375 N THR A 24 8.677 8.136 13.678 1.00 49.53 N ATOM 376 CA THR A 24 8.221 7.109 12.750 1.00 50.07 C ATOM 377 C THR A 24 8.271 7.606 11.311 1.00 50.51 C ATOM 378 O THR A 24 7.584 8.562 10.949 1.00 49.49 O ATOM 379 CB THR A 24 6.787 6.651 13.074 1.00 50.14 C ATOM 380 OG1 THR A 24 6.731 6.165 14.421 1.00 49.34 O ATOM 381 CG2 THR A 24 6.351 5.548 12.122 1.00 49.73 C ATOM 0 H THR A 24 8.002 8.377 14.404 1.00 49.53 H new ATOM 0 HA THR A 24 8.897 6.262 12.863 1.00 50.07 H new ATOM 0 HB THR A 24 6.115 7.502 12.959 1.00 50.14 H new ATOM 0 HG1 THR A 24 5.818 5.875 14.627 1.00 49.34 H new ATOM 0 HG21 THR A 24 5.335 5.237 12.366 1.00 49.73 H new ATOM 0 HG22 THR A 24 6.381 5.919 11.097 1.00 49.73 H new ATOM 0 HG23 THR A 24 7.024 4.696 12.219 1.00 49.73 H new ATOM 389 N PRO A 25 9.088 6.952 10.492 1.00 49.71 N ATOM 390 CA PRO A 25 9.207 7.307 9.083 1.00 50.02 C ATOM 391 C PRO A 25 7.867 7.182 8.369 1.00 50.51 C ATOM 392 O PRO A 25 6.983 6.448 8.812 1.00 49.49 O ATOM 393 CB PRO A 25 10.250 6.320 8.533 1.00 49.82 C ATOM 394 CG PRO A 25 11.031 5.871 9.738 1.00 49.82 C ATOM 395 CD PRO A 25 9.905 5.782 10.841 1.00 50.00 C ATOM 0 HA PRO A 25 9.510 8.343 8.933 1.00 50.02 H new ATOM 0 HB2 PRO A 25 9.772 5.476 8.035 1.00 49.82 H new ATOM 0 HB3 PRO A 25 10.898 6.798 7.798 1.00 49.82 H new ATOM 0 HG2 PRO A 25 11.519 4.910 9.574 1.00 49.82 H new ATOM 0 HG3 PRO A 25 11.811 6.583 10.007 1.00 49.82 H new ATOM 0 HD2 PRO A 25 9.341 4.851 10.782 1.00 50.00 H new ATOM 0 HD3 PRO A 25 10.309 5.846 11.851 1.00 50.00 H new ATOM 403 N PRO A 26 7.723 7.902 7.262 1.00 49.71 N ATOM 404 CA PRO A 26 6.490 7.874 6.485 1.00 50.02 C ATOM 405 C PRO A 26 6.280 6.513 5.833 1.00 50.51 C ATOM 406 O PRO A 26 7.236 5.776 5.590 1.00 49.49 O ATOM 407 CB PRO A 26 6.675 8.991 5.444 1.00 49.82 C ATOM 408 CG PRO A 26 8.165 9.147 5.305 1.00 49.82 C ATOM 409 CD PRO A 26 8.685 8.882 6.741 1.00 50.00 C ATOM 0 HA PRO A 26 5.602 8.032 7.098 1.00 50.02 H new ATOM 0 HB2 PRO A 26 6.215 8.724 4.492 1.00 49.82 H new ATOM 0 HB3 PRO A 26 6.209 9.920 5.774 1.00 49.82 H new ATOM 0 HG2 PRO A 26 8.579 8.437 4.589 1.00 49.82 H new ATOM 0 HG3 PRO A 26 8.435 10.144 4.957 1.00 49.82 H new ATOM 0 HD2 PRO A 26 9.701 8.488 6.736 1.00 50.00 H new ATOM 0 HD3 PRO A 26 8.699 9.792 7.340 1.00 50.00 H new ATOM 417 N PRO A 27 5.024 6.184 5.553 1.00 49.71 N ATOM 418 CA PRO A 27 4.683 4.897 4.959 1.00 50.02 C ATOM 419 C PRO A 27 5.103 4.837 3.496 1.00 50.51 C ATOM 420 O PRO A 27 5.283 5.869 2.849 1.00 49.49 O ATOM 421 CB PRO A 27 3.158 4.797 5.128 1.00 49.82 C ATOM 422 CG PRO A 27 2.678 6.222 5.170 1.00 49.82 C ATOM 423 CD PRO A 27 3.834 6.922 5.999 1.00 50.00 C ATOM 0 HA PRO A 27 5.200 4.063 5.434 1.00 50.02 H new ATOM 0 HB2 PRO A 27 2.704 4.252 4.301 1.00 49.82 H new ATOM 0 HB3 PRO A 27 2.896 4.265 6.043 1.00 49.82 H new ATOM 0 HG2 PRO A 27 2.573 6.649 4.173 1.00 49.82 H new ATOM 0 HG3 PRO A 27 1.709 6.314 5.660 1.00 49.82 H new ATOM 0 HD2 PRO A 27 3.908 7.987 5.777 1.00 50.00 H new ATOM 0 HD3 PRO A 27 3.677 6.831 7.074 1.00 50.00 H new ATOM 431 N SER A 28 5.257 3.622 2.979 1.00 49.53 N ATOM 432 CA SER A 28 5.621 3.425 1.581 1.00 50.07 C ATOM 433 C SER A 28 4.487 3.839 0.653 1.00 50.51 C ATOM 434 O SER A 28 3.312 3.650 0.970 1.00 49.49 O ATOM 435 CB SER A 28 6.000 1.977 1.340 1.00 50.05 C ATOM 436 OG SER A 28 7.175 1.621 2.014 1.00 49.34 O ATOM 0 H SER A 28 5.135 2.759 3.508 1.00 49.53 H new ATOM 0 HA SER A 28 6.481 4.058 1.361 1.00 50.07 H new ATOM 0 HB2 SER A 28 5.185 1.330 1.666 1.00 50.05 H new ATOM 0 HB3 SER A 28 6.131 1.810 0.271 1.00 50.05 H new ATOM 0 HG SER A 28 7.941 1.721 1.411 1.00 49.34 H new ATOM 442 N GLN A 29 4.844 4.405 -0.495 1.00 49.53 N ATOM 443 CA GLN A 29 3.856 4.909 -1.441 1.00 50.07 C ATOM 444 C GLN A 29 3.716 3.980 -2.639 1.00 50.51 C ATOM 445 O GLN A 29 4.588 3.151 -2.899 1.00 49.49 O ATOM 446 CB GLN A 29 4.239 6.313 -1.918 1.00 49.82 C ATOM 447 CG GLN A 29 4.494 7.304 -0.795 1.00 49.82 C ATOM 448 CD GLN A 29 3.254 7.568 0.037 1.00 50.55 C ATOM 449 OE1 GLN A 29 2.227 8.018 -0.480 1.00 49.45 O ATOM 450 NE2 GLN A 29 3.342 7.294 1.333 1.00 49.38 N ATOM 0 H GLN A 29 5.812 4.526 -0.793 1.00 49.53 H new ATOM 0 HA GLN A 29 2.897 4.954 -0.925 1.00 50.07 H new ATOM 0 HB2 GLN A 29 5.134 6.243 -2.536 1.00 49.82 H new ATOM 0 HB3 GLN A 29 3.442 6.699 -2.554 1.00 49.82 H new ATOM 0 HG2 GLN A 29 5.286 6.922 -0.151 1.00 49.82 H new ATOM 0 HG3 GLN A 29 4.851 8.243 -1.217 1.00 49.82 H new ATOM 0 HE21 GLN A 29 4.211 6.923 1.718 1.00 49.38 H new ATOM 0 HE22 GLN A 29 2.541 7.454 1.944 1.00 49.38 H new ATOM 459 N GLY A 30 2.614 4.122 -3.367 1.00 49.53 N ATOM 460 CA GLY A 30 2.387 3.340 -4.576 1.00 49.98 C ATOM 461 C GLY A 30 3.482 3.588 -5.606 1.00 50.51 C ATOM 462 O GLY A 30 4.034 4.686 -5.687 1.00 49.49 O ATOM 0 H GLY A 30 1.862 4.773 -3.140 1.00 49.53 H new ATOM 0 HA2 GLY A 30 2.353 2.280 -4.325 1.00 49.98 H new ATOM 0 HA3 GLY A 30 1.418 3.598 -5.003 1.00 49.98 H new ATOM 466 N LYS A 31 3.793 2.562 -6.390 1.00 49.53 N ATOM 467 CA LYS A 31 4.812 2.671 -7.427 1.00 50.07 C ATOM 468 C LYS A 31 4.391 3.656 -8.511 1.00 50.51 C ATOM 469 O LYS A 31 3.352 3.486 -9.148 1.00 49.49 O ATOM 470 CB LYS A 31 5.098 1.301 -8.044 1.00 49.82 C ATOM 471 CG LYS A 31 6.214 1.298 -9.080 1.00 49.82 C ATOM 472 CD LYS A 31 6.502 -0.110 -9.579 1.00 49.82 C ATOM 473 CE LYS A 31 7.578 -0.107 -10.655 1.00 50.21 C ATOM 474 NZ LYS A 31 7.896 -1.482 -11.128 1.00 49.70 N1+ ATOM 0 H LYS A 31 3.353 1.644 -6.327 1.00 49.53 H new ATOM 0 HA LYS A 31 5.723 3.046 -6.961 1.00 50.07 H new ATOM 0 HB2 LYS A 31 5.357 0.604 -7.247 1.00 49.82 H new ATOM 0 HB3 LYS A 31 4.186 0.928 -8.510 1.00 49.82 H new ATOM 0 HG2 LYS A 31 5.935 1.934 -9.920 1.00 49.82 H new ATOM 0 HG3 LYS A 31 7.118 1.724 -8.645 1.00 49.82 H new ATOM 0 HD2 LYS A 31 6.821 -0.735 -8.745 1.00 49.82 H new ATOM 0 HD3 LYS A 31 5.588 -0.551 -9.977 1.00 49.82 H new ATOM 0 HE2 LYS A 31 7.246 0.499 -11.498 1.00 50.21 H new ATOM 0 HE3 LYS A 31 8.482 0.360 -10.263 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 8.633 -1.435 -11.860 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 8.237 -2.054 -10.329 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 7.040 -1.919 -11.526 1.00 49.70 H new ATOM 488 N GLY A 32 5.205 4.686 -8.715 1.00 49.53 N ATOM 489 CA GLY A 32 4.940 5.679 -9.750 1.00 49.98 C ATOM 490 C GLY A 32 4.329 6.942 -9.158 1.00 50.51 C ATOM 491 O GLY A 32 4.119 7.930 -9.862 1.00 49.49 O ATOM 0 H GLY A 32 6.055 4.855 -8.177 1.00 49.53 H new ATOM 0 HA2 GLY A 32 5.868 5.928 -10.265 1.00 49.98 H new ATOM 0 HA3 GLY A 32 4.264 5.260 -10.495 1.00 49.98 H new ATOM 495 N ARG A 33 4.044 6.904 -7.861 1.00 49.53 N ATOM 496 CA ARG A 33 3.465 8.050 -7.170 1.00 50.07 C ATOM 497 C ARG A 33 4.452 9.208 -7.102 1.00 50.51 C ATOM 498 O ARG A 33 4.055 10.373 -7.070 1.00 49.49 O ATOM 499 CB ARG A 33 2.941 7.683 -5.789 1.00 49.82 C ATOM 500 CG ARG A 33 1.756 6.730 -5.787 1.00 49.82 C ATOM 501 CD ARG A 33 0.477 7.343 -6.229 1.00 50.20 C ATOM 502 NE ARG A 33 -0.669 6.450 -6.174 1.00 49.30 N ATOM 503 CZ ARG A 33 -1.051 5.632 -7.174 1.00 50.64 C ATOM 504 NH1 ARG A 33 -0.406 5.616 -8.319 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 -2.107 4.862 -6.981 1.00 49.20 N ATOM 0 H ARG A 33 4.205 6.091 -7.266 1.00 49.53 H new ATOM 0 HA ARG A 33 2.606 8.377 -7.756 1.00 50.07 H new ATOM 0 HB2 ARG A 33 3.752 7.233 -5.216 1.00 49.82 H new ATOM 0 HB3 ARG A 33 2.654 8.598 -5.270 1.00 49.82 H new ATOM 0 HG2 ARG A 33 1.984 5.885 -6.436 1.00 49.82 H new ATOM 0 HG3 ARG A 33 1.626 6.333 -4.780 1.00 49.82 H new ATOM 0 HD2 ARG A 33 0.273 8.215 -5.608 1.00 50.20 H new ATOM 0 HD3 ARG A 33 0.594 7.701 -7.252 1.00 50.20 H new ATOM 0 HE ARG A 33 -1.223 6.442 -5.318 1.00 49.30 H new ATOM 0 HH11 ARG A 33 0.397 6.229 -8.461 1.00 49.20 H new ATOM 0 HH12 ARG A 33 -0.708 4.991 -9.066 1.00 49.20 H new ATOM 0 HH21 ARG A 33 -2.609 4.897 -6.094 1.00 49.20 H new ATOM 0 HH22 ARG A 33 -2.421 4.232 -7.719 1.00 49.20 H new ATOM 519 N GLY A 34 5.740 8.882 -7.079 1.00 49.53 N ATOM 520 CA GLY A 34 6.787 9.896 -7.057 1.00 49.98 C ATOM 521 C GLY A 34 6.785 10.718 -8.339 1.00 50.51 C ATOM 522 O GLY A 34 7.022 11.926 -8.313 1.00 49.49 O ATOM 0 H GLY A 34 6.084 7.922 -7.075 1.00 49.53 H new ATOM 0 HA2 GLY A 34 6.642 10.554 -6.200 1.00 49.98 H new ATOM 0 HA3 GLY A 34 7.758 9.417 -6.930 1.00 49.98 H new ATOM 526 N LEU A 35 6.516 10.057 -9.460 1.00 49.53 N ATOM 527 CA LEU A 35 6.466 10.730 -10.752 1.00 50.07 C ATOM 528 C LEU A 35 5.134 11.443 -10.950 1.00 50.51 C ATOM 529 O LEU A 35 5.068 12.482 -11.607 1.00 49.49 O ATOM 530 CB LEU A 35 6.705 9.722 -11.884 1.00 49.82 C ATOM 531 CG LEU A 35 8.095 9.073 -11.897 1.00 49.91 C ATOM 532 CD1 LEU A 35 8.168 8.017 -12.992 1.00 49.73 C ATOM 533 CD2 LEU A 35 9.154 10.145 -12.110 1.00 49.73 C ATOM 0 H LEU A 35 6.329 9.055 -9.499 1.00 49.53 H new ATOM 0 HA LEU A 35 7.256 11.481 -10.774 1.00 50.07 H new ATOM 0 HB2 LEU A 35 5.955 8.935 -11.813 1.00 49.82 H new ATOM 0 HB3 LEU A 35 6.548 10.226 -12.837 1.00 49.82 H new ATOM 0 HG LEU A 35 8.278 8.584 -10.940 1.00 49.91 H new ATOM 0 HD11 LEU A 35 9.159 7.562 -12.993 1.00 49.73 H new ATOM 0 HD12 LEU A 35 7.416 7.249 -12.808 1.00 49.73 H new ATOM 0 HD13 LEU A 35 7.981 8.483 -13.960 1.00 49.73 H new ATOM 0 HD21 LEU A 35 10.142 9.684 -12.119 1.00 49.73 H new ATOM 0 HD22 LEU A 35 8.978 10.646 -13.062 1.00 49.73 H new ATOM 0 HD23 LEU A 35 9.101 10.874 -11.301 1.00 49.73 H new ATOM 545 N SER A 36 4.076 10.879 -10.379 1.00 49.53 N ATOM 546 CA SER A 36 2.750 11.480 -10.459 1.00 50.07 C ATOM 547 C SER A 36 2.738 12.872 -9.839 1.00 50.51 C ATOM 548 O SER A 36 1.705 13.541 -9.813 1.00 49.49 O ATOM 549 CB SER A 36 1.730 10.589 -9.777 1.00 50.05 C ATOM 550 OG SER A 36 0.447 11.151 -9.792 1.00 49.34 O ATOM 0 H SER A 36 4.111 10.005 -9.855 1.00 49.53 H new ATOM 0 HA SER A 36 2.486 11.580 -11.512 1.00 50.07 H new ATOM 0 HB2 SER A 36 1.706 9.619 -10.274 1.00 50.05 H new ATOM 0 HB3 SER A 36 2.036 10.412 -8.746 1.00 50.05 H new ATOM 0 HG SER A 36 0.518 12.128 -9.786 1.00 49.34 H new TER 556 SER A 36