USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 560 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 Set 1.1: A 66 ASN : amide:sc= -0.459 K(o=0.23,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot -170:sc= 0.688 USER MOD Set 2.1: A 30 SER OG : rot 115:sc= 0.281 USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.1! F(o=-3,f=-0.81!) USER MOD Set 3.1: A 10 TYR OH : rot -31:sc= 1.63 USER MOD Set 3.2: A 12 TYR OH : rot 180:sc= 0.632 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 11 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.349 K(o=-0.35,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 41 THR OG1 : rot -14:sc= 0.288 USER MOD Single : A 45 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.28) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.7!) USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 0.023 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : A 74 SER OG : rot 180:sc= -0.187 USER MOD Single : A 76 MET CE :methyl 167:sc=-0.00971 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 -0.154 4.411 -3.503 1.00 22.24 N ATOM 25 CA PRO A 3 -0.300 5.851 -3.266 1.00 51.53 C ATOM 26 C PRO A 3 -1.620 6.196 -2.585 1.00 21.02 C ATOM 27 O PRO A 3 -2.654 5.593 -2.873 1.00 25.42 O ATOM 28 CB PRO A 3 -0.253 6.449 -4.674 1.00 52.33 C ATOM 29 CG PRO A 3 -0.713 5.348 -5.569 1.00 61.01 C ATOM 30 CD PRO A 3 -0.233 4.072 -4.934 1.00 71.24 C ATOM 0 HA PRO A 3 0.472 6.234 -2.599 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.901 7.322 -4.755 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.755 6.775 -4.932 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.799 5.352 -5.666 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.303 5.463 -6.572 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.924 3.249 -5.114 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.736 3.767 -5.329 1.00 71.24 H new ATOM 38 N SER A 4 -1.577 7.169 -1.681 1.00 53.30 N ATOM 39 CA SER A 4 -2.770 7.592 -0.956 1.00 1.23 C ATOM 40 C SER A 4 -2.747 9.096 -0.702 1.00 70.21 C ATOM 41 O SER A 4 -1.742 9.762 -0.945 1.00 72.45 O ATOM 42 CB SER A 4 -2.878 6.841 0.372 1.00 45.22 C ATOM 43 OG SER A 4 -3.185 5.472 0.161 1.00 21.10 O ATOM 0 H SER A 4 -0.729 7.679 -1.433 1.00 53.30 H new ATOM 0 HA SER A 4 -3.640 7.358 -1.570 1.00 1.23 H new ATOM 0 HB2 SER A 4 -1.939 6.926 0.919 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.650 7.299 0.991 1.00 45.22 H new ATOM 0 HG SER A 4 -3.247 5.014 1.025 1.00 21.10 H new ATOM 49 N ALA A 5 -3.864 9.624 -0.211 1.00 44.51 N ATOM 50 CA ALA A 5 -3.973 11.049 0.078 1.00 71.53 C ATOM 51 C ALA A 5 -2.881 11.497 1.044 1.00 64.50 C ATOM 52 O ALA A 5 -2.512 12.671 1.077 1.00 75.23 O ATOM 53 CB ALA A 5 -5.347 11.368 0.646 1.00 50.33 C ATOM 0 H ALA A 5 -4.706 9.086 -0.005 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.843 11.596 -0.856 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.415 12.435 0.857 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.113 11.092 -0.079 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.499 10.805 1.567 1.00 50.33 H new ATOM 59 N ASP A 6 -2.370 10.556 1.830 1.00 73.12 N ATOM 60 CA ASP A 6 -1.320 10.855 2.797 1.00 73.34 C ATOM 61 C ASP A 6 -0.011 11.192 2.092 1.00 50.31 C ATOM 62 O ASP A 6 0.835 11.899 2.638 1.00 61.44 O ATOM 63 CB ASP A 6 -1.114 9.669 3.741 1.00 32.21 C ATOM 64 CG ASP A 6 -0.484 10.080 5.057 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.960 11.063 5.661 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.486 9.417 5.484 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.666 9.580 1.817 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.632 11.723 3.378 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.074 9.191 3.935 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.481 8.927 3.255 1.00 32.21 H new ATOM 71 N GLN A 7 0.149 10.681 0.875 1.00 61.34 N ATOM 72 CA GLN A 7 1.357 10.928 0.095 1.00 33.32 C ATOM 73 C GLN A 7 1.370 12.351 -0.452 1.00 30.12 C ATOM 74 O GLN A 7 2.430 12.953 -0.617 1.00 65.14 O ATOM 75 CB GLN A 7 1.460 9.925 -1.055 1.00 3.44 C ATOM 76 CG GLN A 7 1.944 8.551 -0.623 1.00 3.33 C ATOM 77 CD GLN A 7 3.457 8.434 -0.638 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.097 8.651 -1.665 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.035 8.090 0.508 1.00 43.14 N ATOM 0 H GLN A 7 -0.542 10.094 0.408 1.00 61.34 H new ATOM 0 HA GLN A 7 2.217 10.804 0.754 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.483 9.825 -1.527 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.140 10.320 -1.810 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.577 8.340 0.381 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.518 7.796 -1.283 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.464 7.919 1.336 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.049 7.997 0.560 1.00 43.14 H new ATOM 88 N VAL A 8 0.185 12.883 -0.733 1.00 11.23 N ATOM 89 CA VAL A 8 0.060 14.236 -1.261 1.00 70.32 C ATOM 90 C VAL A 8 -0.103 15.252 -0.137 1.00 51.41 C ATOM 91 O VAL A 8 -0.462 16.405 -0.376 1.00 2.43 O ATOM 92 CB VAL A 8 -1.137 14.355 -2.223 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.907 13.511 -3.468 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.425 13.949 -1.524 1.00 21.21 C ATOM 0 H VAL A 8 -0.703 12.397 -0.604 1.00 11.23 H new ATOM 0 HA VAL A 8 0.979 14.448 -1.808 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.231 15.396 -2.531 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.763 13.607 -4.136 1.00 70.42 H new ATOM 0 HG12 VAL A 8 -0.007 13.854 -3.979 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.786 12.466 -3.182 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.260 14.039 -2.219 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.345 12.916 -1.185 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.594 14.600 -0.666 1.00 21.21 H new ATOM 104 N ARG A 9 0.164 14.817 1.090 1.00 23.24 N ATOM 105 CA ARG A 9 0.045 15.689 2.252 1.00 13.23 C ATOM 106 C ARG A 9 1.122 16.769 2.233 1.00 52.15 C ATOM 107 O ARG A 9 1.932 16.836 1.309 1.00 24.40 O ATOM 108 CB ARG A 9 0.150 14.872 3.542 1.00 64.10 C ATOM 109 CG ARG A 9 -1.154 14.205 3.948 1.00 33.12 C ATOM 110 CD ARG A 9 -2.109 15.197 4.593 1.00 30.54 C ATOM 111 NE ARG A 9 -3.399 14.589 4.908 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.346 15.198 5.613 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.148 16.424 6.075 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.494 14.579 5.857 1.00 52.12 N ATOM 0 H ARG A 9 0.464 13.866 1.305 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.931 16.172 2.214 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.916 14.107 3.416 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.481 15.525 4.350 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.626 13.762 3.071 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.947 13.392 4.644 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.661 15.590 5.506 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.261 16.043 3.922 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.583 13.645 4.568 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.267 16.903 5.890 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.877 16.889 6.616 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.650 13.635 5.503 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.221 15.047 6.398 1.00 52.12 H new ATOM 128 N TYR A 10 1.124 17.614 3.258 1.00 14.33 N ATOM 129 CA TYR A 10 2.098 18.694 3.358 1.00 71.55 C ATOM 130 C TYR A 10 2.468 18.961 4.814 1.00 52.43 C ATOM 131 O TYR A 10 1.739 18.584 5.730 1.00 74.35 O ATOM 132 CB TYR A 10 1.546 19.968 2.717 1.00 34.44 C ATOM 133 CG TYR A 10 0.486 20.654 3.550 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.833 21.575 4.531 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.863 20.380 3.358 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.132 22.204 5.295 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.834 21.004 4.116 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.463 21.914 5.083 1.00 2.14 C ATOM 139 OH TYR A 10 -2.429 22.538 5.841 1.00 11.10 O ATOM 0 H TYR A 10 0.461 17.572 4.032 1.00 14.33 H new ATOM 0 HA TYR A 10 2.998 18.388 2.824 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.367 20.663 2.545 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.127 19.722 1.741 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.875 21.803 4.699 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.157 19.666 2.603 1.00 40.41 H new ATOM 0 HE1 TYR A 10 0.155 22.918 6.053 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.878 20.781 3.952 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.071 22.732 6.732 1.00 11.10 H new ATOM 149 N ASN A 11 3.607 19.617 5.017 1.00 42.23 N ATOM 150 CA ASN A 11 4.075 19.936 6.361 1.00 42.31 C ATOM 151 C ASN A 11 4.185 21.445 6.554 1.00 20.03 C ATOM 152 O ASN A 11 4.564 22.174 5.636 1.00 44.41 O ATOM 153 CB ASN A 11 5.431 19.277 6.620 1.00 13.35 C ATOM 154 CG ASN A 11 6.130 19.852 7.838 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.606 19.799 8.951 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.319 20.405 7.631 1.00 62.24 N ATOM 0 H ASN A 11 4.222 19.937 4.269 1.00 42.23 H new ATOM 0 HA ASN A 11 3.348 19.548 7.075 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.291 18.205 6.757 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.068 19.406 5.745 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.837 20.808 8.412 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.715 20.427 6.691 1.00 62.24 H new ATOM 163 N TYR A 12 3.853 21.909 7.754 1.00 45.02 N ATOM 164 CA TYR A 12 3.912 23.331 8.068 1.00 72.31 C ATOM 165 C TYR A 12 5.353 23.780 8.291 1.00 31.24 C ATOM 166 O TYR A 12 5.988 23.405 9.277 1.00 51.10 O ATOM 167 CB TYR A 12 3.073 23.636 9.310 1.00 11.32 C ATOM 168 CG TYR A 12 1.583 23.585 9.061 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.957 24.539 8.266 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.798 22.584 9.621 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.404 24.497 8.037 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.564 22.533 9.396 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.160 23.492 8.604 1.00 53.13 C ATOM 174 OH TYR A 12 -2.517 23.445 8.378 1.00 31.24 O ATOM 0 H TYR A 12 3.540 21.320 8.526 1.00 45.02 H new ATOM 0 HA TYR A 12 3.506 23.882 7.219 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.327 22.922 10.094 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.337 24.626 9.683 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.546 25.327 7.820 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.261 21.833 10.243 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.874 25.247 7.418 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.159 21.747 9.838 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.900 22.675 8.848 1.00 31.24 H new ATOM 184 N THR A 13 5.864 24.587 7.367 1.00 52.44 N ATOM 185 CA THR A 13 7.229 25.088 7.460 1.00 21.44 C ATOM 186 C THR A 13 7.250 26.607 7.592 1.00 1.51 C ATOM 187 O THR A 13 6.235 27.271 7.385 1.00 61.40 O ATOM 188 CB THR A 13 8.063 24.679 6.232 1.00 0.51 C ATOM 189 OG1 THR A 13 7.572 25.345 5.062 1.00 12.51 O ATOM 190 CG2 THR A 13 8.016 23.173 6.022 1.00 33.31 C ATOM 0 H THR A 13 5.352 24.908 6.545 1.00 52.44 H new ATOM 0 HA THR A 13 7.668 24.643 8.353 1.00 21.44 H new ATOM 0 HB THR A 13 9.098 24.972 6.409 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.109 25.081 4.286 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.612 22.909 5.149 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.418 22.670 6.902 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.984 22.860 5.865 1.00 33.31 H new ATOM 198 N GLU A 14 8.414 27.151 7.937 1.00 33.12 N ATOM 199 CA GLU A 14 8.566 28.592 8.096 1.00 45.32 C ATOM 200 C GLU A 14 9.123 29.224 6.824 1.00 72.14 C ATOM 201 O GLU A 14 9.889 28.598 6.090 1.00 2.41 O ATOM 202 CB GLU A 14 9.485 28.904 9.278 1.00 43.44 C ATOM 203 CG GLU A 14 8.827 29.750 10.354 1.00 35.42 C ATOM 204 CD GLU A 14 9.819 30.263 11.381 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.037 30.181 11.122 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.375 30.746 12.444 1.00 31.43 O1- ATOM 0 H GLU A 14 9.264 26.615 8.111 1.00 33.12 H new ATOM 0 HA GLU A 14 7.581 29.015 8.290 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.824 27.967 9.721 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.371 29.422 8.911 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.322 30.596 9.888 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.061 29.160 10.857 1.00 35.42 H new ATOM 213 N LEU A 15 8.732 30.468 6.569 1.00 31.01 N ATOM 214 CA LEU A 15 9.192 31.186 5.384 1.00 75.52 C ATOM 215 C LEU A 15 9.980 32.433 5.775 1.00 52.53 C ATOM 216 O LEU A 15 9.857 32.952 6.885 1.00 52.44 O ATOM 217 CB LEU A 15 8.001 31.577 4.506 1.00 45.14 C ATOM 218 CG LEU A 15 7.480 30.493 3.563 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.092 30.851 3.054 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.440 30.291 2.400 1.00 34.00 C ATOM 0 H LEU A 15 8.099 31.000 7.166 1.00 31.01 H new ATOM 0 HA LEU A 15 9.850 30.524 4.821 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.183 31.890 5.155 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.284 32.444 3.910 1.00 45.14 H new ATOM 0 HG LEU A 15 7.412 29.558 4.118 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.737 30.068 2.384 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.408 30.944 3.898 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.135 31.798 2.515 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.053 29.516 1.739 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.541 31.224 1.845 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.415 29.989 2.782 1.00 34.00 H new ATOM 232 N PRO A 16 10.808 32.925 4.843 1.00 52.33 N ATOM 233 CA PRO A 16 11.631 34.118 5.066 1.00 73.22 C ATOM 234 C PRO A 16 10.796 35.392 5.139 1.00 42.24 C ATOM 235 O PRO A 16 11.266 36.426 5.611 1.00 30.55 O ATOM 236 CB PRO A 16 12.549 34.149 3.842 1.00 54.14 C ATOM 237 CG PRO A 16 11.796 33.418 2.784 1.00 53.42 C ATOM 238 CD PRO A 16 11.005 32.357 3.499 1.00 70.53 C ATOM 0 HA PRO A 16 12.165 34.074 6.015 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.767 35.172 3.537 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.504 33.668 4.052 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.138 34.093 2.236 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.476 32.975 2.056 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.055 32.161 3.002 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.545 31.411 3.538 1.00 70.53 H new ATOM 246 N ASN A 17 9.556 35.310 4.669 1.00 3.13 N ATOM 247 CA ASN A 17 8.656 36.457 4.682 1.00 21.43 C ATOM 248 C ASN A 17 7.980 36.604 6.041 1.00 30.55 C ATOM 249 O ASN A 17 7.270 37.576 6.292 1.00 12.42 O ATOM 250 CB ASN A 17 7.597 36.313 3.586 1.00 30.03 C ATOM 251 CG ASN A 17 6.699 35.112 3.806 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.913 34.321 4.724 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.685 34.970 2.960 1.00 24.23 N ATOM 0 H ASN A 17 9.151 34.461 4.274 1.00 3.13 H new ATOM 0 HA ASN A 17 9.247 37.353 4.492 1.00 21.43 H new ATOM 0 HB2 ASN A 17 6.989 37.217 3.551 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.090 36.223 2.618 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.046 34.181 3.057 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.545 35.650 2.213 1.00 24.23 H new ATOM 260 N GLY A 18 8.208 35.630 6.918 1.00 75.24 N ATOM 261 CA GLY A 18 7.615 35.669 8.242 1.00 63.13 C ATOM 262 C GLY A 18 6.460 34.699 8.389 1.00 23.55 C ATOM 263 O GLY A 18 6.144 34.265 9.496 1.00 61.41 O ATOM 0 H GLY A 18 8.793 34.815 6.735 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.378 35.436 8.985 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.265 36.680 8.450 1.00 63.13 H new ATOM 267 N GLU A 19 5.828 34.359 7.269 1.00 64.42 N ATOM 268 CA GLU A 19 4.700 33.436 7.280 1.00 70.10 C ATOM 269 C GLU A 19 5.181 31.989 7.287 1.00 45.33 C ATOM 270 O GLU A 19 6.383 31.723 7.321 1.00 50.13 O ATOM 271 CB GLU A 19 3.801 33.680 6.066 1.00 2.11 C ATOM 272 CG GLU A 19 3.545 35.151 5.784 1.00 53.05 C ATOM 273 CD GLU A 19 2.134 35.415 5.297 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.183 35.153 6.065 1.00 64.10 O ATOM 275 OE2 GLU A 19 1.977 35.881 4.149 1.00 52.10 O1- ATOM 0 H GLU A 19 6.078 34.709 6.344 1.00 64.42 H new ATOM 0 HA GLU A 19 4.127 33.614 8.190 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.259 33.225 5.188 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.847 33.178 6.224 1.00 2.11 H new ATOM 0 HG2 GLU A 19 3.726 35.728 6.691 1.00 53.05 H new ATOM 0 HG3 GLU A 19 4.255 35.503 5.036 1.00 53.05 H new ATOM 282 N TYR A 20 4.236 31.057 7.256 1.00 61.53 N ATOM 283 CA TYR A 20 4.562 29.636 7.262 1.00 34.14 C ATOM 284 C TYR A 20 4.622 29.085 5.841 1.00 55.31 C ATOM 285 O TYR A 20 5.693 28.732 5.344 1.00 31.44 O ATOM 286 CB TYR A 20 3.529 28.857 8.079 1.00 60.13 C ATOM 287 CG TYR A 20 3.966 28.578 9.499 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.746 29.505 10.510 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.599 27.385 9.830 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.144 29.253 11.809 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.000 27.126 11.126 1.00 61.50 C ATOM 292 CZ TYR A 20 4.771 28.062 12.112 1.00 52.13 C ATOM 293 OH TYR A 20 5.168 27.808 13.405 1.00 70.22 O ATOM 0 H TYR A 20 3.237 31.260 7.226 1.00 61.53 H new ATOM 0 HA TYR A 20 5.543 29.517 7.721 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.595 29.419 8.099 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.321 27.911 7.579 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.256 30.439 10.277 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.780 26.649 9.061 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.965 29.985 12.583 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.491 26.194 11.366 1.00 61.50 H new ATOM 0 HH TYR A 20 5.593 26.926 13.450 1.00 70.22 H new ATOM 303 N CYS A 21 3.466 29.013 5.191 1.00 45.41 N ATOM 304 CA CYS A 21 3.385 28.505 3.827 1.00 22.34 C ATOM 305 C CYS A 21 1.968 28.646 3.277 1.00 21.40 C ATOM 306 O CYS A 21 1.002 28.727 4.037 1.00 34.13 O ATOM 307 CB CYS A 21 3.819 27.039 3.780 1.00 14.31 C ATOM 308 SG CYS A 21 2.620 25.885 4.519 1.00 72.04 S ATOM 0 H CYS A 21 2.571 29.300 5.587 1.00 45.41 H new ATOM 0 HA CYS A 21 4.057 29.096 3.205 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.988 26.754 2.742 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.772 26.937 4.298 1.00 14.31 H new ATOM 313 N TYR A 22 1.853 28.673 1.955 1.00 73.41 N ATOM 314 CA TYR A 22 0.555 28.806 1.303 1.00 25.14 C ATOM 315 C TYR A 22 -0.078 27.439 1.067 1.00 21.32 C ATOM 316 O TYR A 22 0.490 26.586 0.383 1.00 14.24 O ATOM 317 CB TYR A 22 0.702 29.549 -0.027 1.00 71.24 C ATOM 318 CG TYR A 22 0.800 31.050 0.126 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.094 31.746 0.932 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.786 31.773 -0.535 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.009 33.117 1.074 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.879 33.144 -0.398 1.00 75.54 C ATOM 323 CZ TYR A 22 0.979 33.812 0.407 1.00 12.31 C ATOM 324 OH TYR A 22 1.068 35.178 0.547 1.00 10.53 O ATOM 0 H TYR A 22 2.643 28.605 1.313 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.097 29.380 1.962 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.592 29.186 -0.540 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.151 29.312 -0.662 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.868 31.205 1.456 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.492 31.254 -1.167 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.712 33.642 1.704 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.652 33.690 -0.918 1.00 75.54 H new ATOM 0 HH TYR A 22 1.818 35.513 0.013 1.00 10.53 H new ATOM 334 N THR A 23 -1.262 27.236 1.638 1.00 31.22 N ATOM 335 CA THR A 23 -1.975 25.973 1.492 1.00 12.23 C ATOM 336 C THR A 23 -2.042 25.546 0.030 1.00 3.11 C ATOM 337 O THR A 23 -1.854 26.347 -0.886 1.00 50.51 O ATOM 338 CB THR A 23 -3.406 26.067 2.052 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.875 27.418 1.974 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.453 25.591 3.497 1.00 42.22 C ATOM 0 H THR A 23 -1.747 27.931 2.206 1.00 31.22 H new ATOM 0 HA THR A 23 -1.418 25.229 2.061 1.00 12.23 H new ATOM 0 HB THR A 23 -4.051 25.424 1.453 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.786 27.469 2.331 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.474 25.666 3.872 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.123 24.554 3.549 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.796 26.212 4.106 1.00 42.22 H new ATOM 348 N PRO A 24 -2.315 24.253 -0.198 1.00 10.51 N ATOM 349 CA PRO A 24 -2.414 23.690 -1.548 1.00 1.33 C ATOM 350 C PRO A 24 -3.650 24.183 -2.293 1.00 0.42 C ATOM 351 O PRO A 24 -4.643 24.573 -1.678 1.00 21.20 O ATOM 352 CB PRO A 24 -2.508 22.183 -1.298 1.00 42.41 C ATOM 353 CG PRO A 24 -3.075 22.061 0.075 1.00 13.41 C ATOM 354 CD PRO A 24 -2.551 23.240 0.845 1.00 22.44 C ATOM 0 HA PRO A 24 -1.570 23.981 -2.173 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.148 21.699 -2.035 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.529 21.709 -1.366 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.165 22.065 0.049 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.771 21.124 0.541 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.270 23.587 1.587 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.634 22.994 1.381 1.00 22.44 H new ATOM 362 N ARG A 25 -3.582 24.166 -3.620 1.00 41.50 N ATOM 363 CA ARG A 25 -4.695 24.612 -4.448 1.00 11.30 C ATOM 364 C ARG A 25 -4.949 26.105 -4.259 1.00 42.24 C ATOM 365 O ARG A 25 -6.040 26.600 -4.539 1.00 30.50 O ATOM 366 CB ARG A 25 -5.960 23.823 -4.109 1.00 71.35 C ATOM 367 CG ARG A 25 -5.732 22.324 -3.998 1.00 24.20 C ATOM 368 CD ARG A 25 -6.970 21.608 -3.484 1.00 13.12 C ATOM 369 NE ARG A 25 -6.632 20.459 -2.648 1.00 61.42 N ATOM 370 CZ ARG A 25 -7.519 19.796 -1.917 1.00 63.21 C ATOM 371 NH1 ARG A 25 -8.793 20.164 -1.917 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -7.134 18.759 -1.182 1.00 31.52 N ATOM 0 H ARG A 25 -2.767 23.848 -4.145 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.433 24.434 -5.491 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.366 24.191 -3.167 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.712 24.012 -4.875 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.458 21.924 -4.974 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -4.894 22.131 -3.328 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.580 22.306 -2.911 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.574 21.276 -4.329 1.00 13.12 H new ATOM 0 HE ARG A 25 -5.660 20.149 -2.625 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -9.094 20.959 -2.480 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.472 19.652 -1.354 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -6.155 18.471 -1.179 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -7.817 18.250 -0.621 1.00 31.52 H new ATOM 386 N ARG A 26 -3.933 26.817 -3.782 1.00 23.54 N ATOM 387 CA ARG A 26 -4.045 28.252 -3.554 1.00 14.21 C ATOM 388 C ARG A 26 -3.160 29.028 -4.523 1.00 22.51 C ATOM 389 O ARG A 26 -2.096 28.555 -4.922 1.00 34.12 O ATOM 390 CB ARG A 26 -3.662 28.593 -2.111 1.00 32.13 C ATOM 391 CG ARG A 26 -4.649 29.523 -1.423 1.00 14.42 C ATOM 392 CD ARG A 26 -3.932 30.602 -0.627 1.00 12.23 C ATOM 393 NE ARG A 26 -3.968 30.338 0.809 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.022 30.591 1.576 1.00 71.13 C ATOM 395 NH1 ARG A 26 -6.121 31.112 1.049 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -4.978 30.323 2.875 1.00 33.14 N ATOM 0 H ARG A 26 -3.022 26.423 -3.546 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.082 28.541 -3.726 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.584 27.670 -1.537 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.675 29.056 -2.105 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.294 29.987 -2.169 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.293 28.946 -0.759 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -2.895 30.668 -0.958 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -4.393 31.569 -0.830 1.00 12.23 H new ATOM 0 HE ARG A 26 -3.138 29.937 1.247 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -6.159 31.320 0.051 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -6.929 31.305 1.641 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -4.134 29.922 3.285 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.788 30.518 3.464 1.00 33.14 H new ATOM 410 N ARG A 27 -3.607 30.223 -4.899 1.00 50.31 N ATOM 411 CA ARG A 27 -2.855 31.064 -5.822 1.00 40.43 C ATOM 412 C ARG A 27 -1.541 31.519 -5.197 1.00 64.30 C ATOM 413 O ARG A 27 -1.530 32.173 -4.153 1.00 33.14 O ATOM 414 CB ARG A 27 -3.688 32.281 -6.229 1.00 5.30 C ATOM 415 CG ARG A 27 -2.898 33.332 -6.991 1.00 61.13 C ATOM 416 CD ARG A 27 -3.816 34.310 -7.706 1.00 24.42 C ATOM 417 NE ARG A 27 -3.750 35.648 -7.126 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.422 36.012 -6.039 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.207 35.143 -5.419 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -4.309 37.249 -5.573 1.00 21.32 N ATOM 0 H ARG A 27 -4.486 30.630 -4.578 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.628 30.473 -6.710 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.524 31.949 -6.845 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.113 32.736 -5.334 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.253 33.875 -6.300 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.248 32.844 -7.717 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.543 34.358 -8.760 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.842 33.945 -7.659 1.00 24.42 H new ATOM 0 HE ARG A 27 -3.156 36.341 -7.580 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.297 34.192 -5.776 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.722 35.425 -4.585 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -3.706 37.920 -6.049 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -4.825 37.529 -4.739 1.00 21.32 H new ATOM 434 N CYS A 28 -0.432 31.169 -5.841 1.00 43.33 N ATOM 435 CA CYS A 28 0.889 31.540 -5.349 1.00 31.31 C ATOM 436 C CYS A 28 1.739 32.134 -6.468 1.00 63.13 C ATOM 437 O CYS A 28 1.376 32.066 -7.642 1.00 50.44 O ATOM 438 CB CYS A 28 1.594 30.322 -4.749 1.00 52.41 C ATOM 439 SG CYS A 28 1.720 28.902 -5.884 1.00 5.44 S ATOM 0 H CYS A 28 -0.423 30.628 -6.706 1.00 43.33 H new ATOM 0 HA CYS A 28 0.761 32.295 -4.574 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.597 30.613 -4.436 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.058 30.010 -3.852 1.00 52.41 H new ATOM 444 N THR A 29 2.876 32.715 -6.096 1.00 73.01 N ATOM 445 CA THR A 29 3.779 33.320 -7.066 1.00 32.12 C ATOM 446 C THR A 29 5.131 32.616 -7.075 1.00 33.55 C ATOM 447 O THR A 29 5.827 32.603 -8.089 1.00 51.13 O ATOM 448 CB THR A 29 3.994 34.817 -6.775 1.00 20.25 C ATOM 449 OG1 THR A 29 4.890 35.380 -7.740 1.00 30.25 O ATOM 450 CG2 THR A 29 4.555 35.021 -5.376 1.00 44.55 C ATOM 0 H THR A 29 3.193 32.779 -5.129 1.00 73.01 H new ATOM 0 HA THR A 29 3.310 33.211 -8.044 1.00 32.12 H new ATOM 0 HB THR A 29 3.029 35.319 -6.839 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.020 36.332 -7.549 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.698 36.086 -5.193 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.858 34.618 -4.642 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.512 34.506 -5.289 1.00 44.55 H new ATOM 458 N SER A 30 5.494 32.031 -5.938 1.00 63.54 N ATOM 459 CA SER A 30 6.765 31.327 -5.814 1.00 12.44 C ATOM 460 C SER A 30 6.563 29.947 -5.196 1.00 32.23 C ATOM 461 O SER A 30 5.762 29.777 -4.278 1.00 42.24 O ATOM 462 CB SER A 30 7.743 32.141 -4.963 1.00 1.42 C ATOM 463 OG SER A 30 7.617 33.527 -5.229 1.00 24.25 O ATOM 0 H SER A 30 4.927 32.031 -5.090 1.00 63.54 H new ATOM 0 HA SER A 30 7.182 31.202 -6.813 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.555 31.952 -3.906 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.764 31.819 -5.168 1.00 1.42 H new ATOM 0 HG SER A 30 7.289 33.985 -4.427 1.00 24.25 H new ATOM 469 N ALA A 31 7.297 28.963 -5.708 1.00 62.45 N ATOM 470 CA ALA A 31 7.201 27.598 -5.205 1.00 32.30 C ATOM 471 C ALA A 31 7.661 27.513 -3.754 1.00 10.12 C ATOM 472 O ALA A 31 7.128 26.729 -2.969 1.00 65.45 O ATOM 473 CB ALA A 31 8.019 26.656 -6.078 1.00 44.20 C ATOM 0 H ALA A 31 7.964 29.086 -6.470 1.00 62.45 H new ATOM 0 HA ALA A 31 6.155 27.295 -5.244 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.939 25.640 -5.691 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.641 26.686 -7.100 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.064 26.966 -6.068 1.00 44.20 H new ATOM 479 N ASP A 32 8.655 28.323 -3.406 1.00 12.20 N ATOM 480 CA ASP A 32 9.188 28.340 -2.049 1.00 73.45 C ATOM 481 C ASP A 32 8.073 28.554 -1.029 1.00 71.20 C ATOM 482 O ASP A 32 8.107 27.999 0.068 1.00 64.22 O ATOM 483 CB ASP A 32 10.244 29.436 -1.905 1.00 74.03 C ATOM 484 CG ASP A 32 11.451 28.976 -1.112 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.404 29.046 0.135 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.443 28.547 -1.736 1.00 52.31 O ATOM 0 H ASP A 32 9.108 28.976 -4.045 1.00 12.20 H new ATOM 0 HA ASP A 32 9.652 27.373 -1.857 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.565 29.759 -2.895 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.800 30.302 -1.415 1.00 74.03 H new ATOM 491 N GLN A 33 7.087 29.364 -1.401 1.00 13.05 N ATOM 492 CA GLN A 33 5.962 29.653 -0.519 1.00 61.53 C ATOM 493 C GLN A 33 5.044 28.442 -0.391 1.00 21.20 C ATOM 494 O GLN A 33 4.565 28.126 0.698 1.00 62.33 O ATOM 495 CB GLN A 33 5.171 30.854 -1.042 1.00 1.33 C ATOM 496 CG GLN A 33 5.978 32.142 -1.084 1.00 24.41 C ATOM 497 CD GLN A 33 5.497 33.097 -2.159 1.00 55.02 C ATOM 498 OE1 GLN A 33 6.429 33.821 -2.768 1.00 20.05 O flip ATOM 499 NE2 GLN A 33 4.301 33.182 -2.439 1.00 41.24 N flip ATOM 0 H GLN A 33 7.044 29.832 -2.307 1.00 13.05 H new ATOM 0 HA GLN A 33 6.360 29.890 0.468 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.807 30.630 -2.045 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.295 31.004 -0.411 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.920 32.634 -0.113 1.00 24.41 H new ATOM 0 HG3 GLN A 33 7.027 31.903 -1.258 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.619 32.606 -1.945 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.992 33.828 -3.165 1.00 41.24 H new ATOM 508 N CYS A 34 4.804 27.767 -1.510 1.00 20.44 N ATOM 509 CA CYS A 34 3.943 26.591 -1.525 1.00 42.12 C ATOM 510 C CYS A 34 4.377 25.587 -0.461 1.00 14.23 C ATOM 511 O CYS A 34 5.536 25.175 -0.416 1.00 24.15 O ATOM 512 CB CYS A 34 3.968 25.932 -2.905 1.00 20.31 C ATOM 513 SG CYS A 34 3.134 24.314 -2.971 1.00 43.23 S ATOM 0 H CYS A 34 5.194 28.015 -2.419 1.00 20.44 H new ATOM 0 HA CYS A 34 2.926 26.913 -1.303 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.496 26.602 -3.624 1.00 20.31 H new ATOM 0 HB3 CYS A 34 5.005 25.807 -3.218 1.00 20.31 H new ATOM 518 N CYS A 35 3.437 25.197 0.394 1.00 63.44 N ATOM 519 CA CYS A 35 3.720 24.241 1.458 1.00 62.12 C ATOM 520 C CYS A 35 4.400 22.993 0.901 1.00 75.41 C ATOM 521 O CYS A 35 4.007 22.472 -0.142 1.00 52.33 O ATOM 522 CB CYS A 35 2.429 23.852 2.180 1.00 15.41 C ATOM 523 SG CYS A 35 1.558 25.253 2.952 1.00 54.35 S ATOM 0 H CYS A 35 2.473 25.528 0.371 1.00 63.44 H new ATOM 0 HA CYS A 35 4.396 24.716 2.169 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.759 23.369 1.469 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.663 23.115 2.949 1.00 15.41 H new ATOM 528 N ARG A 36 5.424 22.520 1.606 1.00 74.42 N ATOM 529 CA ARG A 36 6.159 21.335 1.183 1.00 31.31 C ATOM 530 C ARG A 36 5.426 20.063 1.596 1.00 11.50 C ATOM 531 O ARG A 36 4.577 20.068 2.489 1.00 64.44 O ATOM 532 CB ARG A 36 7.567 21.341 1.781 1.00 74.21 C ATOM 533 CG ARG A 36 8.587 22.081 0.931 1.00 33.43 C ATOM 534 CD ARG A 36 9.795 22.504 1.752 1.00 52.41 C ATOM 535 NE ARG A 36 10.632 21.366 2.122 1.00 64.13 N ATOM 536 CZ ARG A 36 11.631 21.440 2.995 1.00 24.21 C ATOM 537 NH1 ARG A 36 11.915 22.593 3.584 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.348 20.361 3.279 1.00 13.25 N ATOM 0 H ARG A 36 5.762 22.940 2.472 1.00 74.42 H new ATOM 0 HA ARG A 36 6.233 21.354 0.096 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.531 21.798 2.770 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.899 20.312 1.918 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.910 21.442 0.109 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.122 22.961 0.486 1.00 33.43 H new ATOM 0 HD2 ARG A 36 10.388 23.220 1.182 1.00 52.41 H new ATOM 0 HD3 ARG A 36 9.459 23.015 2.654 1.00 52.41 H new ATOM 0 HE ARG A 36 10.439 20.464 1.686 1.00 64.13 H new ATOM 0 HH11 ARG A 36 11.366 23.425 3.367 1.00 61.22 H new ATOM 0 HH12 ARG A 36 12.682 22.648 4.254 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.133 19.472 2.827 1.00 13.25 H new ATOM 0 HH22 ARG A 36 13.114 20.420 3.949 1.00 13.25 H new ATOM 552 N PRO A 37 5.757 18.946 0.931 1.00 2.54 N ATOM 553 CA PRO A 37 5.140 17.645 1.212 1.00 73.11 C ATOM 554 C PRO A 37 5.563 17.084 2.566 1.00 25.00 C ATOM 555 O PRO A 37 6.668 17.350 3.041 1.00 22.30 O ATOM 556 CB PRO A 37 5.656 16.755 0.079 1.00 11.35 C ATOM 557 CG PRO A 37 6.939 17.385 -0.343 1.00 4.20 C ATOM 558 CD PRO A 37 6.758 18.865 -0.144 1.00 42.10 C ATOM 0 HA PRO A 37 4.053 17.711 1.258 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.811 15.731 0.419 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.945 16.713 -0.746 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.772 17.010 0.252 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.162 17.156 -1.385 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.692 19.349 0.140 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.410 19.353 -1.054 1.00 42.10 H new ATOM 566 N TYR A 38 4.680 16.305 3.181 1.00 62.25 N ATOM 567 CA TYR A 38 4.961 15.707 4.481 1.00 14.44 C ATOM 568 C TYR A 38 6.255 14.900 4.440 1.00 34.42 C ATOM 569 O TYR A 38 6.926 14.728 5.458 1.00 11.41 O ATOM 570 CB TYR A 38 3.800 14.811 4.915 1.00 22.13 C ATOM 571 CG TYR A 38 3.772 14.537 6.402 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.690 13.673 6.986 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.828 15.141 7.221 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.667 13.419 8.344 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.798 14.894 8.581 1.00 22.03 C ATOM 576 CZ TYR A 38 3.719 14.031 9.137 1.00 53.42 C ATOM 577 OH TYR A 38 3.694 13.782 10.490 1.00 22.44 O ATOM 0 H TYR A 38 3.763 16.073 2.800 1.00 62.25 H new ATOM 0 HA TYR A 38 5.079 16.512 5.206 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.861 15.280 4.622 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.863 13.863 4.380 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.434 13.192 6.368 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.104 15.816 6.788 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.388 12.745 8.782 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.058 15.374 9.204 1.00 22.03 H new ATOM 0 HH TYR A 38 2.966 14.292 10.903 1.00 22.44 H new ATOM 587 N ASP A 39 6.598 14.405 3.255 1.00 32.30 N ATOM 588 CA ASP A 39 7.812 13.616 3.079 1.00 33.55 C ATOM 589 C ASP A 39 8.486 13.944 1.750 1.00 15.11 C ATOM 590 O ASP A 39 8.111 13.414 0.704 1.00 13.04 O ATOM 591 CB ASP A 39 7.489 12.122 3.146 1.00 24.25 C ATOM 592 CG ASP A 39 7.316 11.632 4.570 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.339 11.397 5.247 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.156 11.483 5.009 1.00 4.51 O ATOM 0 H ASP A 39 6.053 14.536 2.403 1.00 32.30 H new ATOM 0 HA ASP A 39 8.500 13.868 3.886 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.577 11.925 2.583 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.288 11.558 2.665 1.00 24.25 H new ATOM 599 N THR A 40 9.481 14.824 1.797 1.00 42.33 N ATOM 600 CA THR A 40 10.205 15.225 0.598 1.00 51.22 C ATOM 601 C THR A 40 10.808 14.017 -0.110 1.00 5.24 C ATOM 602 O THR A 40 10.998 14.028 -1.327 1.00 55.42 O ATOM 603 CB THR A 40 11.328 16.226 0.928 1.00 52.44 C ATOM 604 OG1 THR A 40 11.873 15.942 2.221 1.00 3.03 O ATOM 605 CG2 THR A 40 10.807 17.655 0.894 1.00 32.04 C ATOM 0 H THR A 40 9.804 15.273 2.654 1.00 42.33 H new ATOM 0 HA THR A 40 9.482 15.706 -0.061 1.00 51.22 H new ATOM 0 HB THR A 40 12.109 16.123 0.175 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.587 16.582 2.423 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.618 18.344 1.130 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.420 17.878 -0.100 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.009 17.769 1.628 1.00 32.04 H new ATOM 613 N THR A 41 11.107 12.975 0.659 1.00 61.40 N ATOM 614 CA THR A 41 11.689 11.759 0.105 1.00 21.31 C ATOM 615 C THR A 41 10.656 10.968 -0.689 1.00 74.10 C ATOM 616 O THR A 41 11.007 10.094 -1.483 1.00 32.32 O ATOM 617 CB THR A 41 12.268 10.858 1.213 1.00 11.20 C ATOM 618 OG1 THR A 41 12.787 9.652 0.643 1.00 50.03 O ATOM 619 CG2 THR A 41 11.203 10.519 2.246 1.00 40.10 C ATOM 0 H THR A 41 10.956 12.949 1.667 1.00 61.40 H new ATOM 0 HA THR A 41 12.495 12.069 -0.560 1.00 21.31 H new ATOM 0 HB THR A 41 13.073 11.401 1.708 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.459 9.557 -0.276 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.635 9.882 3.018 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.831 11.438 2.699 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.380 9.994 1.761 1.00 40.10 H new ATOM 627 N ALA A 42 9.383 11.280 -0.473 1.00 33.42 N ATOM 628 CA ALA A 42 8.300 10.600 -1.171 1.00 33.24 C ATOM 629 C ALA A 42 7.335 11.602 -1.797 1.00 22.22 C ATOM 630 O ALA A 42 6.175 11.283 -2.053 1.00 41.33 O ATOM 631 CB ALA A 42 7.558 9.673 -0.220 1.00 72.43 C ATOM 0 H ALA A 42 9.076 12.000 0.181 1.00 33.42 H new ATOM 0 HA ALA A 42 8.736 10.005 -1.974 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.752 9.172 -0.756 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.249 8.928 0.175 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.141 10.254 0.603 1.00 72.43 H new ATOM 637 N ALA A 43 7.823 12.815 -2.037 1.00 12.24 N ATOM 638 CA ALA A 43 7.004 13.863 -2.633 1.00 72.33 C ATOM 639 C ALA A 43 7.811 15.140 -2.841 1.00 51.10 C ATOM 640 O ALA A 43 8.907 15.288 -2.298 1.00 33.12 O ATOM 641 CB ALA A 43 5.787 14.141 -1.763 1.00 43.44 C ATOM 0 H ALA A 43 8.781 13.096 -1.828 1.00 12.24 H new ATOM 0 HA ALA A 43 6.667 13.515 -3.609 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.184 14.926 -2.220 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.191 13.233 -1.670 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.113 14.463 -0.774 1.00 43.44 H new ATOM 647 N PHE A 44 7.265 16.058 -3.631 1.00 14.41 N ATOM 648 CA PHE A 44 7.936 17.322 -3.911 1.00 61.30 C ATOM 649 C PHE A 44 6.946 18.483 -3.876 1.00 33.54 C ATOM 650 O PHE A 44 5.735 18.278 -3.785 1.00 25.14 O ATOM 651 CB PHE A 44 8.625 17.266 -5.276 1.00 4.30 C ATOM 652 CG PHE A 44 7.712 16.839 -6.391 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.472 15.496 -6.630 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.096 17.781 -7.199 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.634 15.101 -7.657 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.257 17.392 -8.225 1.00 31.10 C ATOM 657 CZ PHE A 44 6.025 16.050 -8.453 1.00 44.43 C ATOM 0 H PHE A 44 6.360 15.951 -4.089 1.00 14.41 H new ATOM 0 HA PHE A 44 8.687 17.485 -3.138 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.034 18.249 -5.508 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.467 16.575 -5.221 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.944 14.750 -6.008 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.274 18.832 -7.025 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.456 14.051 -7.836 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.783 18.136 -8.848 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.368 15.743 -9.253 1.00 44.43 H new ATOM 667 N HIS A 45 7.470 19.703 -3.947 1.00 30.01 N ATOM 668 CA HIS A 45 6.634 20.897 -3.924 1.00 13.52 C ATOM 669 C HIS A 45 6.862 21.745 -5.171 1.00 32.25 C ATOM 670 O HIS A 45 7.799 21.508 -5.932 1.00 34.05 O ATOM 671 CB HIS A 45 6.923 21.723 -2.669 1.00 41.02 C ATOM 672 CG HIS A 45 8.209 22.486 -2.739 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.439 21.911 -2.494 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.454 23.785 -3.029 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.385 22.825 -2.630 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.813 23.970 -2.955 1.00 4.31 N ATOM 0 H HIS A 45 8.470 19.890 -4.021 1.00 30.01 H new ATOM 0 HA HIS A 45 5.591 20.580 -3.909 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.103 22.423 -2.507 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.950 21.059 -1.805 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.718 24.536 -3.273 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.445 22.663 -2.498 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.301 24.849 -3.124 1.00 4.31 H new ATOM 684 N GLY A 46 6.000 22.736 -5.373 1.00 15.53 N ATOM 685 CA GLY A 46 6.125 23.605 -6.529 1.00 51.15 C ATOM 686 C GLY A 46 4.841 24.349 -6.836 1.00 30.33 C ATOM 687 O GLY A 46 3.756 23.917 -6.449 1.00 1.11 O ATOM 0 H GLY A 46 5.217 22.953 -4.757 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.925 24.324 -6.354 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.414 23.011 -7.396 1.00 51.15 H new ATOM 691 N CYS A 47 4.964 25.474 -7.534 1.00 73.31 N ATOM 692 CA CYS A 47 3.805 26.283 -7.892 1.00 12.40 C ATOM 693 C CYS A 47 3.472 26.131 -9.373 1.00 61.22 C ATOM 694 O CYS A 47 4.296 26.425 -10.239 1.00 61.52 O ATOM 695 CB CYS A 47 4.063 27.755 -7.563 1.00 0.44 C ATOM 696 SG CYS A 47 3.599 28.231 -5.868 1.00 52.01 S ATOM 0 H CYS A 47 5.855 25.846 -7.863 1.00 73.31 H new ATOM 0 HA CYS A 47 2.954 25.932 -7.309 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.121 27.969 -7.712 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.510 28.376 -8.268 1.00 0.44 H new ATOM 701 N GLY A 48 2.258 25.671 -9.658 1.00 51.40 N ATOM 702 CA GLY A 48 1.838 25.488 -11.035 1.00 22.12 C ATOM 703 C GLY A 48 0.382 25.082 -11.147 1.00 74.05 C ATOM 704 O GLY A 48 -0.403 25.294 -10.221 1.00 74.34 O ATOM 0 H GLY A 48 1.558 25.422 -8.960 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.997 26.415 -11.587 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.462 24.727 -11.504 1.00 22.12 H new ATOM 708 N ARG A 49 0.018 24.497 -12.284 1.00 34.44 N ATOM 709 CA ARG A 49 -1.354 24.062 -12.515 1.00 43.42 C ATOM 710 C ARG A 49 -1.391 22.617 -13.002 1.00 72.42 C ATOM 711 O ARG A 49 -1.062 22.331 -14.153 1.00 32.25 O ATOM 712 CB ARG A 49 -2.036 24.974 -13.537 1.00 63.11 C ATOM 713 CG ARG A 49 -2.083 26.434 -13.114 1.00 51.12 C ATOM 714 CD ARG A 49 -2.052 27.363 -14.317 1.00 22.53 C ATOM 715 NE ARG A 49 -0.767 27.320 -15.008 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.394 28.208 -15.924 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.205 29.202 -16.256 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.792 28.102 -16.509 1.00 63.11 N ATOM 0 H ARG A 49 0.655 24.314 -13.060 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.892 24.122 -11.569 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.510 24.897 -14.489 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.053 24.620 -13.706 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.988 26.617 -12.535 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.237 26.653 -12.462 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.846 27.085 -15.010 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.255 28.384 -13.992 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.120 26.567 -14.775 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -2.118 29.287 -15.808 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.917 29.882 -16.959 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.419 27.338 -16.256 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.077 28.784 -17.212 1.00 63.11 H new ATOM 732 N ILE A 50 -1.795 21.710 -12.118 1.00 45.20 N ATOM 733 CA ILE A 50 -1.876 20.296 -12.459 1.00 24.22 C ATOM 734 C ILE A 50 -3.323 19.863 -12.671 1.00 32.02 C ATOM 735 O ILE A 50 -3.643 18.677 -12.602 1.00 4.22 O ATOM 736 CB ILE A 50 -1.244 19.416 -11.364 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.876 19.723 -10.005 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.261 19.630 -11.316 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.524 18.714 -8.934 1.00 33.13 C ATOM 0 H ILE A 50 -2.071 21.930 -11.161 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.320 20.163 -13.387 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.434 18.370 -11.604 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.556 20.713 -9.680 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.960 19.759 -10.117 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.693 19.001 -10.537 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.697 19.366 -12.279 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.473 20.676 -11.097 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.006 18.994 -7.997 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -1.869 17.726 -9.238 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.443 18.694 -8.794 1.00 33.13 H new ATOM 751 N TRP A 51 -4.192 20.832 -12.931 1.00 65.10 N ATOM 752 CA TRP A 51 -5.605 20.552 -13.154 1.00 64.31 C ATOM 753 C TRP A 51 -6.169 21.441 -14.257 1.00 21.13 C ATOM 754 O TRP A 51 -5.651 22.522 -14.542 1.00 63.40 O ATOM 755 CB TRP A 51 -6.398 20.757 -11.863 1.00 25.32 C ATOM 756 CG TRP A 51 -6.127 19.708 -10.827 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.645 19.909 -9.564 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.319 18.296 -10.965 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.526 18.707 -8.910 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.934 17.702 -9.747 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.781 17.477 -11.998 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.996 16.327 -9.537 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.843 16.112 -11.789 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.452 15.548 -10.566 1.00 32.35 C ATOM 0 H TRP A 51 -3.943 21.819 -12.993 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.697 19.512 -13.467 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.158 21.737 -11.449 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.463 20.761 -12.096 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.395 20.871 -9.142 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.188 18.583 -7.956 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.084 17.903 -12.943 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.695 15.891 -8.596 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.198 15.469 -12.581 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.512 14.478 -10.433 1.00 32.35 H new ATOM 775 N PRO A 52 -7.255 20.979 -14.896 1.00 33.22 N ATOM 776 CA PRO A 52 -7.912 21.718 -15.978 1.00 11.42 C ATOM 777 C PRO A 52 -8.620 22.972 -15.476 1.00 61.34 C ATOM 778 O PRO A 52 -8.494 24.047 -16.064 1.00 42.35 O ATOM 779 CB PRO A 52 -8.927 20.714 -16.527 1.00 73.34 C ATOM 780 CG PRO A 52 -9.207 19.796 -15.388 1.00 72.40 C ATOM 781 CD PRO A 52 -7.924 19.699 -14.610 1.00 33.43 C ATOM 0 HA PRO A 52 -7.199 22.073 -16.722 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.835 21.214 -16.865 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.524 20.172 -17.383 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.013 20.182 -14.764 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.522 18.816 -15.745 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.109 19.572 -13.543 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.322 18.850 -14.932 1.00 33.43 H new ATOM 789 N LYS A 53 -9.364 22.829 -14.384 1.00 42.35 N ATOM 790 CA LYS A 53 -10.092 23.951 -13.801 1.00 54.32 C ATOM 791 C LYS A 53 -9.168 25.143 -13.582 1.00 33.53 C ATOM 792 O LYS A 53 -9.538 26.285 -13.855 1.00 74.30 O ATOM 793 CB LYS A 53 -10.730 23.536 -12.474 1.00 22.44 C ATOM 794 CG LYS A 53 -12.165 23.054 -12.613 1.00 55.12 C ATOM 795 CD LYS A 53 -12.226 21.620 -13.108 1.00 65.22 C ATOM 796 CE LYS A 53 -12.394 21.559 -14.619 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.819 21.711 -15.025 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.479 21.947 -13.885 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.877 24.245 -14.498 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.131 22.744 -12.025 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.705 24.383 -11.788 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.670 23.129 -11.650 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.702 23.702 -13.306 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -11.315 21.096 -12.821 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.056 21.103 -12.627 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -11.798 22.345 -15.083 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.010 20.608 -14.989 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -13.892 21.664 -16.061 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.384 20.946 -14.603 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.178 22.629 -14.694 1.00 32.33 H new ATOM 811 N ASP A 54 -7.964 24.871 -13.091 1.00 52.15 N ATOM 812 CA ASP A 54 -6.986 25.923 -12.837 1.00 1.22 C ATOM 813 C ASP A 54 -6.418 26.463 -14.146 1.00 22.44 C ATOM 814 O ASP A 54 -6.020 27.626 -14.230 1.00 3.21 O ATOM 815 CB ASP A 54 -5.853 25.394 -11.956 1.00 23.13 C ATOM 816 CG ASP A 54 -6.194 25.451 -10.479 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.052 26.276 -10.099 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.605 24.670 -9.704 1.00 52.31 O ATOM 0 H ASP A 54 -7.642 23.931 -12.861 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.491 26.737 -12.316 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.630 24.364 -12.235 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.951 25.977 -12.140 1.00 23.13 H new ATOM 823 N LYS A 55 -6.382 25.612 -15.166 1.00 0.11 N ATOM 824 CA LYS A 55 -5.862 26.002 -16.471 1.00 71.30 C ATOM 825 C LYS A 55 -6.807 26.981 -17.161 1.00 30.04 C ATOM 826 O LYS A 55 -6.369 27.886 -17.871 1.00 33.44 O ATOM 827 CB LYS A 55 -5.658 24.767 -17.352 1.00 4.34 C ATOM 828 CG LYS A 55 -5.293 25.099 -18.789 1.00 61.13 C ATOM 829 CD LYS A 55 -6.385 24.669 -19.754 1.00 32.24 C ATOM 830 CE LYS A 55 -6.473 25.605 -20.949 1.00 73.20 C ATOM 831 NZ LYS A 55 -5.289 25.475 -21.843 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.707 24.647 -15.114 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.902 26.495 -16.320 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -4.871 24.148 -16.920 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.571 24.172 -17.346 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -5.124 26.172 -18.884 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.358 24.604 -19.052 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -6.188 23.654 -20.099 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -7.343 24.649 -19.235 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -7.380 25.389 -21.514 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -6.553 26.634 -20.599 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -5.387 26.129 -22.646 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -4.426 25.706 -21.311 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -5.227 24.499 -22.197 1.00 23.02 H new ATOM 845 N ARG A 56 -8.106 26.793 -16.948 1.00 42.23 N ATOM 846 CA ARG A 56 -9.112 27.659 -17.549 1.00 60.15 C ATOM 847 C ARG A 56 -8.970 29.091 -17.042 1.00 33.12 C ATOM 848 O ARG A 56 -9.311 30.044 -17.742 1.00 23.12 O ATOM 849 CB ARG A 56 -10.516 27.136 -17.244 1.00 63.23 C ATOM 850 CG ARG A 56 -10.671 25.640 -17.468 1.00 4.43 C ATOM 851 CD ARG A 56 -12.072 25.289 -17.941 1.00 71.40 C ATOM 852 NE ARG A 56 -12.348 25.814 -19.276 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.568 25.916 -19.787 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.622 25.532 -19.080 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -13.738 26.404 -21.009 1.00 63.40 N ATOM 0 H ARG A 56 -8.486 26.048 -16.363 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.958 27.657 -18.628 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.764 27.367 -16.208 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.235 27.665 -17.869 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.942 25.304 -18.206 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.455 25.108 -16.541 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.192 24.206 -17.946 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.803 25.687 -17.237 1.00 71.40 H new ATOM 0 HE ARG A 56 -11.559 26.119 -19.847 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.496 25.157 -18.140 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -15.558 25.612 -19.476 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -12.930 26.701 -21.556 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -14.676 26.482 -21.401 1.00 63.40 H new ATOM 869 N GLU A 57 -8.466 29.233 -15.820 1.00 1.14 N ATOM 870 CA GLU A 57 -8.281 30.549 -15.219 1.00 73.50 C ATOM 871 C GLU A 57 -6.868 31.067 -15.467 1.00 75.12 C ATOM 872 O GLU A 57 -6.605 32.265 -15.356 1.00 65.11 O ATOM 873 CB GLU A 57 -8.558 30.490 -13.715 1.00 24.12 C ATOM 874 CG GLU A 57 -9.998 30.809 -13.348 1.00 62.23 C ATOM 875 CD GLU A 57 -10.133 32.121 -12.600 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.240 32.437 -11.787 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -11.133 32.834 -12.830 1.00 2.34 O ATOM 0 H GLU A 57 -8.179 28.454 -15.227 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.988 31.236 -15.685 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.310 29.494 -13.347 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.898 31.192 -13.205 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.600 30.849 -14.256 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.400 30.002 -12.735 1.00 62.23 H new ATOM 884 N LYS A 58 -5.961 30.156 -15.803 1.00 50.53 N ATOM 885 CA LYS A 58 -4.574 30.518 -16.069 1.00 42.02 C ATOM 886 C LYS A 58 -3.945 31.190 -14.851 1.00 73.23 C ATOM 887 O LYS A 58 -3.440 32.309 -14.939 1.00 73.04 O ATOM 888 CB LYS A 58 -4.492 31.452 -17.279 1.00 61.50 C ATOM 889 CG LYS A 58 -4.965 30.813 -18.572 1.00 44.31 C ATOM 890 CD LYS A 58 -3.805 30.236 -19.367 1.00 22.35 C ATOM 891 CE LYS A 58 -3.547 28.783 -19.000 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.499 28.171 -19.863 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.162 29.160 -15.898 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.021 29.604 -16.285 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.091 32.341 -17.082 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.461 31.783 -17.403 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.682 30.023 -18.347 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.487 31.555 -19.176 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.020 30.311 -20.433 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -2.907 30.825 -19.181 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.240 28.721 -17.956 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.472 28.215 -19.094 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.352 27.181 -19.581 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.803 28.207 -20.857 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -1.609 28.697 -19.754 1.00 3.31 H new ATOM 906 N VAL A 59 -3.976 30.497 -13.717 1.00 2.35 N ATOM 907 CA VAL A 59 -3.406 31.025 -12.483 1.00 3.13 C ATOM 908 C VAL A 59 -2.628 29.950 -11.734 1.00 32.04 C ATOM 909 O VAL A 59 -3.201 28.962 -11.273 1.00 24.43 O ATOM 910 CB VAL A 59 -4.500 31.592 -11.558 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.596 30.562 -11.332 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.897 32.040 -10.235 1.00 61.33 C ATOM 0 H VAL A 59 -4.390 29.569 -13.627 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.727 31.830 -12.766 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.946 32.461 -12.042 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.359 30.981 -10.676 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.046 30.294 -12.288 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.169 29.672 -10.870 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.683 32.438 -9.593 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.424 31.190 -9.744 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.152 32.814 -10.418 1.00 61.33 H new ATOM 922 N ASP A 60 -1.321 30.149 -11.613 1.00 14.15 N ATOM 923 CA ASP A 60 -0.463 29.197 -10.916 1.00 22.51 C ATOM 924 C ASP A 60 -0.866 29.075 -9.450 1.00 13.20 C ATOM 925 O ASP A 60 -1.137 30.075 -8.786 1.00 44.21 O ATOM 926 CB ASP A 60 1.002 29.625 -11.023 1.00 60.44 C ATOM 927 CG ASP A 60 1.186 31.114 -10.810 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.350 31.723 -10.108 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.167 31.673 -11.345 1.00 43.53 O1- ATOM 0 H ASP A 60 -0.831 30.961 -11.988 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.583 28.222 -11.389 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.592 29.080 -10.286 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.387 29.351 -12.005 1.00 60.44 H new ATOM 934 N ARG A 61 -0.902 27.843 -8.953 1.00 3.03 N ATOM 935 CA ARG A 61 -1.274 27.589 -7.566 1.00 14.00 C ATOM 936 C ARG A 61 -0.367 26.530 -6.946 1.00 1.23 C ATOM 937 O ARG A 61 0.333 25.805 -7.652 1.00 63.34 O ATOM 938 CB ARG A 61 -2.733 27.142 -7.481 1.00 5.22 C ATOM 939 CG ARG A 61 -3.702 28.089 -8.168 1.00 53.15 C ATOM 940 CD ARG A 61 -5.029 28.165 -7.426 1.00 54.13 C ATOM 941 NE ARG A 61 -5.840 26.968 -7.634 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.098 26.853 -7.225 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.686 27.858 -6.589 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -7.772 25.733 -7.450 1.00 12.20 N ATOM 0 H ARG A 61 -0.678 27.005 -9.490 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.154 28.517 -7.007 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.827 26.152 -7.928 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.014 27.046 -6.432 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.260 29.084 -8.227 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -3.875 27.755 -9.191 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.842 28.296 -6.360 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.583 29.042 -7.762 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.417 26.177 -8.120 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -7.172 28.721 -6.413 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.652 27.768 -6.276 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.324 24.958 -7.938 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -8.738 25.647 -7.135 1.00 12.20 H new ATOM 958 N CYS A 62 -0.387 26.446 -5.620 1.00 42.04 N ATOM 959 CA CYS A 62 0.433 25.477 -4.902 1.00 0.35 C ATOM 960 C CYS A 62 -0.073 24.056 -5.139 1.00 41.03 C ATOM 961 O CYS A 62 -1.273 23.791 -5.055 1.00 41.35 O ATOM 962 CB CYS A 62 0.434 25.787 -3.405 1.00 62.15 C ATOM 963 SG CYS A 62 1.248 24.518 -2.382 1.00 73.51 S ATOM 0 H CYS A 62 -0.962 27.038 -5.020 1.00 42.04 H new ATOM 0 HA CYS A 62 1.453 25.549 -5.281 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.932 26.743 -3.243 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.596 25.904 -3.068 1.00 62.15 H new ATOM 968 N TYR A 63 0.850 23.148 -5.434 1.00 45.52 N ATOM 969 CA TYR A 63 0.498 21.754 -5.685 1.00 14.20 C ATOM 970 C TYR A 63 1.546 20.814 -5.097 1.00 21.05 C ATOM 971 O TYR A 63 2.718 21.170 -4.978 1.00 3.33 O ATOM 972 CB TYR A 63 0.357 21.505 -7.186 1.00 45.41 C ATOM 973 CG TYR A 63 1.678 21.463 -7.921 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.402 20.281 -8.022 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.202 22.605 -8.513 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.610 20.239 -8.691 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.409 22.572 -9.185 1.00 13.22 C ATOM 978 CZ TYR A 63 4.109 21.386 -9.271 1.00 70.24 C ATOM 979 OH TYR A 63 5.311 21.348 -9.939 1.00 43.32 O ATOM 0 H TYR A 63 1.847 23.351 -5.505 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.457 21.553 -5.200 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.166 20.561 -7.341 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.265 22.289 -7.619 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.014 19.380 -7.570 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.657 23.535 -8.447 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.161 19.312 -8.759 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.802 23.469 -9.640 1.00 13.22 H new ATOM 0 HH TYR A 63 5.519 22.239 -10.290 1.00 43.32 H new ATOM 989 N ILE A 64 1.114 19.611 -4.733 1.00 55.33 N ATOM 990 CA ILE A 64 2.014 18.619 -4.161 1.00 5.43 C ATOM 991 C ILE A 64 1.693 17.221 -4.680 1.00 12.54 C ATOM 992 O ILE A 64 0.561 16.749 -4.566 1.00 4.15 O ATOM 993 CB ILE A 64 1.939 18.612 -2.622 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.312 19.987 -2.066 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.854 17.537 -2.052 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.221 20.074 -0.558 1.00 11.12 C ATOM 0 H ILE A 64 0.147 19.301 -4.824 1.00 55.33 H new ATOM 0 HA ILE A 64 3.023 18.895 -4.467 1.00 5.43 H new ATOM 0 HB ILE A 64 0.915 18.386 -2.323 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.328 20.232 -2.375 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.656 20.738 -2.505 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.790 17.544 -0.964 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.546 16.561 -2.427 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.882 17.735 -2.356 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.499 21.077 -0.234 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.200 19.861 -0.242 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.898 19.347 -0.110 1.00 11.12 H new ATOM 1008 N CYS A 65 2.696 16.561 -5.249 1.00 21.21 N ATOM 1009 CA CYS A 65 2.523 15.218 -5.785 1.00 73.21 C ATOM 1010 C CYS A 65 3.545 14.256 -5.184 1.00 10.41 C ATOM 1011 O CYS A 65 4.633 14.663 -4.782 1.00 53.41 O ATOM 1012 CB CYS A 65 2.655 15.232 -7.309 1.00 24.12 C ATOM 1013 SG CYS A 65 1.360 16.190 -8.158 1.00 3.43 S ATOM 0 H CYS A 65 3.639 16.936 -5.350 1.00 21.21 H new ATOM 0 HA CYS A 65 1.524 14.874 -5.517 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.629 15.643 -7.575 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.631 14.205 -7.675 1.00 24.12 H new ATOM 1018 N ASN A 66 3.184 12.978 -5.127 1.00 44.32 N ATOM 1019 CA ASN A 66 4.069 11.958 -4.575 1.00 53.41 C ATOM 1020 C ASN A 66 5.298 11.769 -5.459 1.00 40.54 C ATOM 1021 O ASN A 66 5.340 12.248 -6.591 1.00 42.44 O ATOM 1022 CB ASN A 66 3.322 10.631 -4.428 1.00 4.34 C ATOM 1023 CG ASN A 66 2.838 10.089 -5.760 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.797 10.810 -6.757 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.469 8.814 -5.781 1.00 12.22 N ATOM 0 H ASN A 66 2.286 12.624 -5.456 1.00 44.32 H new ATOM 0 HA ASN A 66 4.399 12.291 -3.591 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.978 9.898 -3.957 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.469 10.769 -3.763 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.135 8.394 -6.648 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.520 8.254 -4.930 1.00 12.22 H new ATOM 1032 N ASN A 67 6.295 11.065 -4.932 1.00 11.55 N ATOM 1033 CA ASN A 67 7.526 10.811 -5.673 1.00 15.23 C ATOM 1034 C ASN A 67 7.234 10.073 -6.976 1.00 64.24 C ATOM 1035 O ASN A 67 7.938 10.248 -7.971 1.00 61.44 O ATOM 1036 CB ASN A 67 8.500 9.997 -4.820 1.00 20.14 C ATOM 1037 CG ASN A 67 7.977 8.607 -4.512 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.281 7.646 -5.220 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.184 8.495 -3.453 1.00 24.13 N ATOM 0 H ASN A 67 6.275 10.661 -3.996 1.00 11.55 H new ATOM 0 HA ASN A 67 7.980 11.772 -5.914 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.454 9.916 -5.340 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.690 10.526 -3.886 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.800 7.585 -3.197 1.00 24.13 H new ATOM 0 HD22 ASN A 67 6.959 9.319 -2.895 1.00 24.13 H new ATOM 1046 N GLU A 68 6.189 9.250 -6.963 1.00 2.34 N ATOM 1047 CA GLU A 68 5.806 8.486 -8.144 1.00 64.21 C ATOM 1048 C GLU A 68 5.061 9.367 -9.143 1.00 23.15 C ATOM 1049 O GLU A 68 4.810 8.963 -10.279 1.00 62.10 O ATOM 1050 CB GLU A 68 4.930 7.295 -7.746 1.00 13.03 C ATOM 1051 CG GLU A 68 5.608 6.337 -6.781 1.00 32.42 C ATOM 1052 CD GLU A 68 6.275 5.174 -7.488 1.00 43.55 C ATOM 1053 OE1 GLU A 68 7.296 5.401 -8.170 1.00 63.23 O1- ATOM 1054 OE2 GLU A 68 5.776 4.036 -7.360 1.00 12.11 O ATOM 0 H GLU A 68 5.594 9.096 -6.149 1.00 2.34 H new ATOM 0 HA GLU A 68 6.716 8.117 -8.618 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.012 7.666 -7.291 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.643 6.749 -8.645 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.353 6.880 -6.199 1.00 32.42 H new ATOM 0 HG3 GLU A 68 4.870 5.954 -6.076 1.00 32.42 H new ATOM 1061 N LYS A 69 4.710 10.574 -8.713 1.00 71.44 N ATOM 1062 CA LYS A 69 3.996 11.514 -9.567 1.00 40.30 C ATOM 1063 C LYS A 69 2.707 10.895 -10.099 1.00 12.13 C ATOM 1064 O LYS A 69 2.199 11.295 -11.147 1.00 32.33 O ATOM 1065 CB LYS A 69 4.883 11.950 -10.735 1.00 41.01 C ATOM 1066 CG LYS A 69 5.866 13.051 -10.374 1.00 21.00 C ATOM 1067 CD LYS A 69 6.926 13.226 -11.448 1.00 71.15 C ATOM 1068 CE LYS A 69 7.700 14.522 -11.260 1.00 4.11 C ATOM 1069 NZ LYS A 69 6.978 15.688 -11.841 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.909 10.924 -7.776 1.00 71.44 H new ATOM 0 HA LYS A 69 3.740 12.387 -8.967 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.437 11.086 -11.102 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.250 12.294 -11.553 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.328 13.989 -10.236 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.345 12.815 -9.424 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.615 12.382 -11.422 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.454 13.222 -12.431 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.870 14.693 -10.197 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.680 14.431 -11.729 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 7.659 16.319 -12.310 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 6.281 15.353 -12.536 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 6.490 16.207 -11.083 1.00 61.00 H new ATOM 1083 N THR A 70 2.179 9.918 -9.368 1.00 30.31 N ATOM 1084 CA THR A 70 0.950 9.244 -9.765 1.00 22.31 C ATOM 1085 C THR A 70 -0.266 9.883 -9.104 1.00 43.33 C ATOM 1086 O THR A 70 -1.323 10.017 -9.722 1.00 43.31 O ATOM 1087 CB THR A 70 0.988 7.747 -9.405 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.032 7.585 -7.983 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.197 7.070 -10.035 1.00 43.40 C ATOM 0 H THR A 70 2.584 9.576 -8.497 1.00 30.31 H new ATOM 0 HA THR A 70 0.869 9.348 -10.847 1.00 22.31 H new ATOM 0 HB THR A 70 0.084 7.279 -9.795 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.215 6.647 -7.766 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.203 6.013 -9.767 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.146 7.169 -11.119 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.109 7.542 -9.670 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.110 10.276 -7.844 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.196 10.902 -7.098 1.00 63.21 C ATOM 1099 C LEU A 71 -0.881 12.365 -6.804 1.00 74.32 C ATOM 1100 O LEU A 71 0.269 12.725 -6.548 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.443 10.148 -5.790 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.812 10.360 -5.142 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.806 9.325 -5.645 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.699 10.302 -3.626 1.00 23.13 C ATOM 0 H LEU A 71 0.758 10.172 -7.318 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.097 10.860 -7.710 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.313 9.082 -5.978 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.675 10.441 -5.074 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.176 11.349 -5.421 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.774 9.491 -5.173 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.909 9.415 -6.726 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.448 8.326 -5.396 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.683 10.455 -3.182 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.313 9.327 -3.327 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.020 11.082 -3.282 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.910 13.205 -6.840 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.745 14.629 -6.576 1.00 32.24 C ATOM 1118 C CYS A 72 -2.965 15.193 -5.853 1.00 44.23 C ATOM 1119 O CYS A 72 -4.032 14.577 -5.837 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.517 15.389 -7.884 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.036 14.861 -8.802 1.00 43.01 S ATOM 0 H CYS A 72 -2.868 12.924 -7.050 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.873 14.755 -5.934 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.391 15.262 -8.522 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.435 16.453 -7.664 1.00 15.44 H new ATOM 1126 N THR A 73 -2.800 16.369 -5.254 1.00 61.13 N ATOM 1127 CA THR A 73 -3.885 17.016 -4.529 1.00 22.22 C ATOM 1128 C THR A 73 -5.138 17.121 -5.392 1.00 44.15 C ATOM 1129 O THR A 73 -5.063 17.073 -6.619 1.00 61.12 O ATOM 1130 CB THR A 73 -3.483 18.425 -4.055 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.321 18.868 -4.766 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.204 18.434 -2.560 1.00 55.11 C ATOM 0 H THR A 73 -1.924 16.892 -5.257 1.00 61.13 H new ATOM 0 HA THR A 73 -4.097 16.395 -3.659 1.00 22.22 H new ATOM 0 HB THR A 73 -4.312 19.103 -4.257 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.073 19.765 -4.460 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.922 19.440 -2.249 1.00 55.11 H new ATOM 0 HG22 THR A 73 -4.099 18.125 -2.021 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.390 17.744 -2.338 1.00 55.11 H new ATOM 1140 N SER A 74 -6.289 17.264 -4.743 1.00 30.10 N ATOM 1141 CA SER A 74 -7.559 17.373 -5.451 1.00 62.43 C ATOM 1142 C SER A 74 -7.623 18.668 -6.255 1.00 35.40 C ATOM 1143 O SER A 74 -6.792 19.561 -6.084 1.00 60.23 O ATOM 1144 CB SER A 74 -8.725 17.314 -4.463 1.00 23.42 C ATOM 1145 OG SER A 74 -9.969 17.335 -5.141 1.00 21.12 O ATOM 0 H SER A 74 -6.368 17.307 -3.727 1.00 30.10 H new ATOM 0 HA SER A 74 -7.635 16.533 -6.141 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.650 16.408 -3.861 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.667 18.159 -3.776 1.00 23.42 H new ATOM 0 HG SER A 74 -10.698 17.295 -4.488 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.617 18.763 -7.133 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.791 19.948 -7.963 1.00 11.13 C ATOM 1153 C VAL A 75 -9.592 21.020 -7.231 1.00 25.41 C ATOM 1154 O VAL A 75 -9.472 22.208 -7.525 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.502 19.607 -9.287 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.909 19.093 -9.020 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.533 20.821 -10.203 1.00 0.01 C ATOM 0 H VAL A 75 -9.313 18.034 -7.287 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.794 20.329 -8.182 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.942 18.818 -9.788 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.396 18.857 -9.966 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.858 18.195 -8.405 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.483 19.858 -8.497 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.039 20.562 -11.133 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.069 21.633 -9.712 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.513 21.139 -10.421 1.00 0.01 H new ATOM 1167 N MET A 76 -10.409 20.589 -6.275 1.00 43.31 N ATOM 1168 CA MET A 76 -11.228 21.512 -5.499 1.00 43.13 C ATOM 1169 C MET A 76 -10.505 21.943 -4.226 1.00 51.03 C ATOM 1170 O MET A 76 -10.934 21.619 -3.117 1.00 70.34 O ATOM 1171 CB MET A 76 -12.568 20.863 -5.144 1.00 71.42 C ATOM 1172 CG MET A 76 -13.519 20.747 -6.325 1.00 32.35 C ATOM 1173 SD MET A 76 -14.809 19.518 -6.059 1.00 71.52 S ATOM 1174 CE MET A 76 -15.500 20.082 -4.506 1.00 75.53 C ATOM 0 H MET A 76 -10.521 19.608 -6.020 1.00 43.31 H new ATOM 0 HA MET A 76 -11.411 22.397 -6.109 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.384 19.869 -4.737 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.048 21.446 -4.358 1.00 71.42 H new ATOM 0 HG2 MET A 76 -13.980 21.717 -6.512 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.952 20.486 -7.219 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.446 19.573 -4.323 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.805 19.859 -3.696 1.00 75.53 H new ATOM 0 HE3 MET A 76 -15.670 21.158 -4.553 1.00 75.53 H new