USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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= -0.54 K(o=-0.059,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.481 USER MOD Set 2.1: A 30 SER OG : rot 121:sc= 1.21 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.674 K(o=0.53,f=-5.3) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 1.04 USER MOD Set 3.2: A 12 TYR OH : rot 76:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0605 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 7 GLN : amide:sc= -0.318 K(o=-0.32,f=-4.3!) USER MOD Single : A 11 ASN : amide:sc= -0.814 K(o=-0.81,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.158 K(o=-0.16,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= 0.0682 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= 0.0364 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.585 K(o=-0.59,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0234 (180deg=-0.202) 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= -0.47 X(o=-0.47,f=-0.17) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 74 SER OG : rot 180:sc= 0.2 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.387 1.220 -0.220 1.00 62.14 N ATOM 2 CA GLY A 1 2.955 1.030 -0.346 1.00 72.30 C ATOM 3 C GLY A 1 2.365 1.819 -1.498 1.00 22.14 C ATOM 4 O GLY A 1 3.030 2.682 -2.076 1.00 61.32 O ATOM 0 H1 GLY A 1 4.880 0.361 -0.538 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.683 2.026 -0.806 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.626 1.409 0.774 1.00 62.14 H new ATOM 0 HA2 GLY A 1 2.743 -0.030 -0.489 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.469 1.330 0.582 1.00 72.30 H new ATOM 10 N THR A 2 1.113 1.527 -1.836 1.00 31.43 N ATOM 11 CA THR A 2 0.436 2.214 -2.928 1.00 21.31 C ATOM 12 C THR A 2 0.196 3.681 -2.590 1.00 71.43 C ATOM 13 O THR A 2 0.202 4.085 -1.427 1.00 32.13 O ATOM 14 CB THR A 2 -0.915 1.549 -3.258 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.453 0.924 -2.089 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.752 0.515 -4.364 1.00 63.13 C ATOM 0 H THR A 2 0.547 0.819 -1.368 1.00 31.43 H new ATOM 0 HA THR A 2 1.090 2.146 -3.798 1.00 21.31 H new ATOM 0 HB THR A 2 -1.601 2.322 -3.603 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.312 0.506 -2.308 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.718 0.058 -4.580 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.370 1.000 -5.262 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.051 -0.255 -4.042 1.00 63.13 H new ATOM 24 N PRO A 3 -0.020 4.501 -3.629 1.00 22.24 N ATOM 25 CA PRO A 3 -0.266 5.937 -3.467 1.00 51.53 C ATOM 26 C PRO A 3 -1.622 6.225 -2.833 1.00 21.02 C ATOM 27 O PRO A 3 -2.617 5.570 -3.148 1.00 25.42 O ATOM 28 CB PRO A 3 -0.223 6.469 -4.902 1.00 52.33 C ATOM 29 CG PRO A 3 -0.586 5.299 -5.751 1.00 61.01 C ATOM 30 CD PRO A 3 -0.041 4.090 -5.043 1.00 71.24 C ATOM 0 HA PRO A 3 0.463 6.403 -2.803 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.925 7.291 -5.040 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.767 6.849 -5.154 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.667 5.226 -5.873 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.158 5.393 -6.749 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.673 3.215 -5.198 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.955 3.831 -5.401 1.00 71.24 H new ATOM 38 N SER A 4 -1.656 7.207 -1.939 1.00 53.30 N ATOM 39 CA SER A 4 -2.891 7.578 -1.257 1.00 1.23 C ATOM 40 C SER A 4 -2.915 9.074 -0.955 1.00 70.21 C ATOM 41 O SER A 4 -1.932 9.780 -1.178 1.00 72.45 O ATOM 42 CB SER A 4 -3.041 6.783 0.041 1.00 45.22 C ATOM 43 OG SER A 4 -2.867 5.396 -0.187 1.00 21.10 O ATOM 0 H SER A 4 -0.843 7.761 -1.669 1.00 53.30 H new ATOM 0 HA SER A 4 -3.726 7.343 -1.917 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.308 7.129 0.770 1.00 45.22 H new ATOM 0 HB3 SER A 4 -4.027 6.963 0.470 1.00 45.22 H new ATOM 0 HG SER A 4 -2.966 4.911 0.658 1.00 21.10 H new ATOM 49 N ALA A 5 -4.049 9.550 -0.448 1.00 44.51 N ATOM 50 CA ALA A 5 -4.202 10.960 -0.114 1.00 71.53 C ATOM 51 C ALA A 5 -3.159 11.401 0.906 1.00 64.50 C ATOM 52 O ALA A 5 -2.832 12.584 1.004 1.00 75.23 O ATOM 53 CB ALA A 5 -5.605 11.228 0.411 1.00 50.33 C ATOM 0 H ALA A 5 -4.874 8.980 -0.260 1.00 44.51 H new ATOM 0 HA ALA A 5 -4.048 11.542 -1.023 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.706 12.285 0.657 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.336 10.962 -0.352 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.779 10.629 1.305 1.00 50.33 H new ATOM 59 N ASP A 6 -2.641 10.441 1.667 1.00 73.12 N ATOM 60 CA ASP A 6 -1.634 10.730 2.680 1.00 73.34 C ATOM 61 C ASP A 6 -0.290 11.059 2.034 1.00 50.31 C ATOM 62 O ASP A 6 0.507 11.813 2.591 1.00 61.44 O ATOM 63 CB ASP A 6 -1.478 9.541 3.629 1.00 32.21 C ATOM 64 CG ASP A 6 -1.026 9.961 5.014 1.00 10.24 C ATOM 65 OD1 ASP A 6 0.104 10.479 5.136 1.00 60.32 O1- ATOM 66 OD2 ASP A 6 -1.800 9.770 5.975 1.00 72.44 O ATOM 0 H ASP A 6 -2.903 9.457 1.601 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.967 11.599 3.248 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.429 9.013 3.705 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.756 8.839 3.212 1.00 32.21 H new ATOM 71 N GLN A 7 -0.049 10.488 0.859 1.00 61.34 N ATOM 72 CA GLN A 7 1.197 10.721 0.140 1.00 33.32 C ATOM 73 C GLN A 7 1.255 12.143 -0.405 1.00 30.12 C ATOM 74 O GLN A 7 2.334 12.711 -0.575 1.00 65.14 O ATOM 75 CB GLN A 7 1.344 9.717 -1.006 1.00 3.44 C ATOM 76 CG GLN A 7 2.002 8.411 -0.591 1.00 3.33 C ATOM 77 CD GLN A 7 3.473 8.575 -0.268 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.232 9.150 -1.049 1.00 64.11 O ATOM 79 NE2 GLN A 7 3.886 8.070 0.888 1.00 43.14 N ATOM 0 H GLN A 7 -0.699 9.861 0.385 1.00 61.34 H new ATOM 0 HA GLN A 7 2.021 10.587 0.841 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.358 9.502 -1.418 1.00 3.44 H new ATOM 0 HB3 GLN A 7 1.931 10.172 -1.804 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.485 8.009 0.281 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.889 7.681 -1.393 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.223 7.601 1.506 1.00 43.14 H new ATOM 0 HE22 GLN A 7 4.866 8.151 1.159 1.00 43.14 H new ATOM 88 N VAL A 8 0.086 12.715 -0.678 1.00 11.23 N ATOM 89 CA VAL A 8 0.003 14.072 -1.203 1.00 70.32 C ATOM 90 C VAL A 8 -0.212 15.083 -0.082 1.00 51.41 C ATOM 91 O VAL A 8 -0.727 16.179 -0.311 1.00 2.43 O ATOM 92 CB VAL A 8 -1.138 14.209 -2.229 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.848 13.373 -3.465 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.466 13.809 -1.605 1.00 21.21 C ATOM 0 H VAL A 8 -0.816 12.259 -0.544 1.00 11.23 H new ATOM 0 HA VAL A 8 0.952 14.278 -1.697 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.205 15.253 -2.534 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.665 13.483 -4.178 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.081 13.711 -3.923 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.752 12.325 -3.181 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.261 13.912 -2.344 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.413 12.773 -1.270 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.677 14.455 -0.753 1.00 21.21 H new ATOM 104 N ARG A 9 0.186 14.708 1.129 1.00 23.24 N ATOM 105 CA ARG A 9 0.036 15.582 2.287 1.00 13.23 C ATOM 106 C ARG A 9 1.070 16.703 2.259 1.00 52.15 C ATOM 107 O ARG A 9 1.883 16.790 1.339 1.00 24.40 O ATOM 108 CB ARG A 9 0.174 14.778 3.581 1.00 64.10 C ATOM 109 CG ARG A 9 -1.108 14.081 4.005 1.00 33.12 C ATOM 110 CD ARG A 9 -2.138 15.075 4.522 1.00 30.54 C ATOM 111 NE ARG A 9 -3.037 15.529 3.464 1.00 63.31 N ATOM 112 CZ ARG A 9 -3.891 16.537 3.608 1.00 44.51 C ATOM 113 NH1 ARG A 9 -3.960 17.192 4.760 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -4.677 16.892 2.601 1.00 52.12 N ATOM 0 H ARG A 9 0.615 13.805 1.334 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.958 16.027 2.249 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.958 14.032 3.453 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.496 15.445 4.381 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.522 13.533 3.159 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.886 13.349 4.781 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -2.720 14.613 5.319 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.627 15.934 4.957 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.008 15.046 2.566 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.357 16.922 5.537 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.616 17.965 4.868 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.627 16.391 1.714 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.332 17.666 2.713 1.00 52.12 H new ATOM 128 N TYR A 10 1.033 17.560 3.274 1.00 14.33 N ATOM 129 CA TYR A 10 1.966 18.678 3.365 1.00 71.55 C ATOM 130 C TYR A 10 2.366 18.936 4.814 1.00 52.43 C ATOM 131 O TYR A 10 1.654 18.560 5.743 1.00 74.35 O ATOM 132 CB TYR A 10 1.342 19.938 2.763 1.00 34.44 C ATOM 133 CG TYR A 10 0.263 20.551 3.626 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.580 21.455 4.632 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.074 20.229 3.432 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.403 22.018 5.423 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.064 20.787 4.218 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.724 21.680 5.212 1.00 2.14 C ATOM 139 OH TYR A 10 -2.706 22.239 5.997 1.00 11.10 O ATOM 0 H TYR A 10 0.368 17.502 4.045 1.00 14.33 H new ATOM 0 HA TYR A 10 2.862 18.419 2.801 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.126 20.677 2.596 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.921 19.694 1.788 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.613 21.722 4.799 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.344 19.531 2.654 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.139 22.718 6.202 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.099 20.525 4.055 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.581 21.897 5.719 1.00 11.10 H new ATOM 149 N ASN A 11 3.512 19.584 4.998 1.00 42.23 N ATOM 150 CA ASN A 11 4.008 19.894 6.334 1.00 42.31 C ATOM 151 C ASN A 11 4.169 21.401 6.518 1.00 20.03 C ATOM 152 O ASN A 11 4.561 22.112 5.591 1.00 44.41 O ATOM 153 CB ASN A 11 5.346 19.194 6.578 1.00 13.35 C ATOM 154 CG ASN A 11 6.512 19.941 5.959 1.00 32.15 C ATOM 155 OD1 ASN A 11 6.475 20.308 4.784 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.555 20.169 6.748 1.00 62.24 N ATOM 0 H ASN A 11 4.114 19.904 4.239 1.00 42.23 H new ATOM 0 HA ASN A 11 3.278 19.533 7.059 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.510 19.095 7.651 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.305 18.185 6.167 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.369 20.666 6.387 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.543 19.847 7.716 1.00 62.24 H new ATOM 163 N TYR A 12 3.865 21.880 7.719 1.00 45.02 N ATOM 164 CA TYR A 12 3.975 23.302 8.024 1.00 72.31 C ATOM 165 C TYR A 12 5.431 23.702 8.242 1.00 31.24 C ATOM 166 O TYR A 12 6.099 23.193 9.143 1.00 51.10 O ATOM 167 CB TYR A 12 3.148 23.643 9.265 1.00 11.32 C ATOM 168 CG TYR A 12 1.657 23.635 9.020 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.060 24.597 8.214 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.843 22.666 9.598 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.303 24.593 7.987 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.521 22.656 9.376 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.089 23.621 8.571 1.00 53.13 C ATOM 174 OH TYR A 12 -2.447 23.613 8.349 1.00 31.24 O ATOM 0 H TYR A 12 3.541 21.305 8.497 1.00 45.02 H new ATOM 0 HA TYR A 12 3.588 23.862 7.173 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.382 22.929 10.054 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.443 24.628 9.628 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.672 25.361 7.757 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.284 21.910 10.230 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.751 25.347 7.356 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.139 21.896 9.831 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.630 23.266 7.451 1.00 31.24 H new ATOM 184 N THR A 13 5.916 24.619 7.412 1.00 52.44 N ATOM 185 CA THR A 13 7.292 25.089 7.511 1.00 21.44 C ATOM 186 C THR A 13 7.348 26.608 7.623 1.00 1.51 C ATOM 187 O THR A 13 6.348 27.292 7.407 1.00 61.40 O ATOM 188 CB THR A 13 8.127 24.644 6.296 1.00 0.51 C ATOM 189 OG1 THR A 13 7.734 25.383 5.134 1.00 12.51 O ATOM 190 CG2 THR A 13 7.957 23.155 6.038 1.00 33.31 C ATOM 0 H THR A 13 5.376 25.052 6.663 1.00 52.44 H new ATOM 0 HA THR A 13 7.713 24.645 8.413 1.00 21.44 H new ATOM 0 HB THR A 13 9.177 24.841 6.513 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.271 25.095 4.366 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.556 22.864 5.175 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.285 22.594 6.913 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.907 22.937 5.840 1.00 33.31 H new ATOM 198 N GLU A 14 8.523 27.130 7.960 1.00 33.12 N ATOM 199 CA GLU A 14 8.707 28.569 8.100 1.00 45.32 C ATOM 200 C GLU A 14 9.272 29.173 6.817 1.00 72.14 C ATOM 201 O GLU A 14 10.037 28.530 6.098 1.00 2.41 O ATOM 202 CB GLU A 14 9.641 28.875 9.273 1.00 43.44 C ATOM 203 CG GLU A 14 9.010 29.753 10.341 1.00 35.42 C ATOM 204 CD GLU A 14 10.011 30.218 11.381 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.199 29.848 11.269 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.607 30.952 12.306 1.00 31.43 O1- ATOM 0 H GLU A 14 9.361 26.578 8.141 1.00 33.12 H new ATOM 0 HA GLU A 14 7.732 29.016 8.294 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.959 27.937 9.727 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.537 29.366 8.894 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.553 30.622 9.868 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.210 29.201 10.834 1.00 35.42 H new ATOM 213 N LEU A 15 8.886 30.412 6.534 1.00 31.01 N ATOM 214 CA LEU A 15 9.351 31.104 5.337 1.00 75.52 C ATOM 215 C LEU A 15 10.148 32.352 5.704 1.00 52.53 C ATOM 216 O LEU A 15 10.028 32.893 6.804 1.00 52.44 O ATOM 217 CB LEU A 15 8.164 31.487 4.451 1.00 45.14 C ATOM 218 CG LEU A 15 7.635 30.389 3.526 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.270 30.768 2.973 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.618 30.126 2.394 1.00 34.00 C ATOM 0 H LEU A 15 8.252 30.958 7.117 1.00 31.01 H new ATOM 0 HA LEU A 15 10.004 30.426 4.787 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.348 31.817 5.094 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.454 32.341 3.839 1.00 45.14 H new ATOM 0 HG LEU A 15 7.527 29.473 4.106 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.910 29.975 2.317 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.569 30.904 3.796 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.351 31.697 2.408 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.226 29.342 1.746 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.759 31.039 1.815 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.574 29.808 2.809 1.00 34.00 H new ATOM 232 N PRO A 16 10.979 32.822 4.763 1.00 52.33 N ATOM 233 CA PRO A 16 11.810 34.012 4.964 1.00 73.22 C ATOM 234 C PRO A 16 10.985 35.294 5.013 1.00 42.24 C ATOM 235 O PRO A 16 11.453 36.326 5.492 1.00 30.55 O ATOM 236 CB PRO A 16 12.729 34.015 3.739 1.00 54.14 C ATOM 237 CG PRO A 16 11.972 33.268 2.696 1.00 53.42 C ATOM 238 CD PRO A 16 11.172 32.226 3.429 1.00 70.53 C ATOM 0 HA PRO A 16 12.343 33.980 5.914 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.953 35.031 3.414 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.682 33.533 3.958 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.320 33.936 2.134 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.650 32.806 1.978 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.220 32.029 2.935 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.705 31.277 3.486 1.00 70.53 H new ATOM 246 N ASN A 17 9.756 35.219 4.514 1.00 3.13 N ATOM 247 CA ASN A 17 8.865 36.374 4.502 1.00 21.43 C ATOM 248 C ASN A 17 8.204 36.567 5.863 1.00 30.55 C ATOM 249 O ASN A 17 7.510 37.555 6.092 1.00 12.42 O ATOM 250 CB ASN A 17 7.795 36.207 3.422 1.00 30.03 C ATOM 251 CG ASN A 17 7.040 34.898 3.554 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.043 34.272 4.613 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.389 34.478 2.474 1.00 24.23 N ATOM 0 H ASN A 17 9.354 34.372 4.113 1.00 3.13 H new ATOM 0 HA ASN A 17 9.462 37.259 4.280 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.091 37.037 3.481 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.264 36.255 2.439 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.864 33.604 2.503 1.00 24.23 H new ATOM 0 HD22 ASN A 17 6.414 35.030 1.617 1.00 24.23 H new ATOM 260 N GLY A 18 8.428 35.614 6.763 1.00 75.24 N ATOM 261 CA GLY A 18 7.848 35.698 8.091 1.00 63.13 C ATOM 262 C GLY A 18 6.682 34.747 8.276 1.00 23.55 C ATOM 263 O GLY A 18 6.370 34.349 9.397 1.00 61.41 O ATOM 0 H GLY A 18 9.000 34.786 6.596 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.615 35.477 8.834 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.513 36.719 8.274 1.00 63.13 H new ATOM 267 N GLU A 19 6.037 34.383 7.171 1.00 64.42 N ATOM 268 CA GLU A 19 4.897 33.475 7.218 1.00 70.10 C ATOM 269 C GLU A 19 5.360 32.021 7.241 1.00 45.33 C ATOM 270 O GLU A 19 6.559 31.741 7.253 1.00 50.13 O ATOM 271 CB GLU A 19 3.980 33.711 6.017 1.00 2.11 C ATOM 272 CG GLU A 19 3.721 35.180 5.727 1.00 53.05 C ATOM 273 CD GLU A 19 3.338 35.961 6.969 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.473 35.480 7.731 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.905 37.054 7.181 1.00 64.10 O ATOM 0 H GLU A 19 6.284 34.703 6.234 1.00 64.42 H new ATOM 0 HA GLU A 19 4.342 33.676 8.135 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.424 33.248 5.136 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.028 33.211 6.194 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.614 35.622 5.285 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.924 35.266 4.988 1.00 53.05 H new ATOM 282 N TYR A 20 4.401 31.101 7.248 1.00 61.53 N ATOM 283 CA TYR A 20 4.710 29.677 7.272 1.00 34.14 C ATOM 284 C TYR A 20 4.733 29.100 5.861 1.00 55.31 C ATOM 285 O TYR A 20 5.787 28.722 5.347 1.00 31.44 O ATOM 286 CB TYR A 20 3.686 28.927 8.125 1.00 60.13 C ATOM 287 CG TYR A 20 4.145 28.678 9.545 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.981 29.647 10.527 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.743 27.476 9.902 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.400 29.424 11.825 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.163 27.245 11.197 1.00 61.50 C ATOM 292 CZ TYR A 20 4.990 28.222 12.155 1.00 52.13 C ATOM 293 OH TYR A 20 5.408 27.995 13.447 1.00 70.22 O ATOM 0 H TYR A 20 3.404 31.316 7.237 1.00 61.53 H new ATOM 0 HA TYR A 20 5.700 29.553 7.711 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.757 29.497 8.147 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.462 27.971 7.652 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.519 30.589 10.272 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.882 26.709 9.154 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.266 30.187 12.577 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.625 26.304 11.458 1.00 61.50 H new ATOM 0 HH TYR A 20 5.801 27.100 13.511 1.00 70.22 H new ATOM 303 N CYS A 21 3.561 29.036 5.236 1.00 45.41 N ATOM 304 CA CYS A 21 3.445 28.505 3.882 1.00 22.34 C ATOM 305 C CYS A 21 2.019 28.661 3.360 1.00 21.40 C ATOM 306 O CYS A 21 1.062 28.688 4.134 1.00 34.13 O ATOM 307 CB CYS A 21 3.853 27.030 3.853 1.00 14.31 C ATOM 308 SG CYS A 21 2.646 25.910 4.633 1.00 72.04 S ATOM 0 H CYS A 21 2.679 29.345 5.645 1.00 45.41 H new ATOM 0 HA CYS A 21 4.115 29.072 3.236 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.999 26.725 2.817 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.813 26.920 4.356 1.00 14.31 H new ATOM 313 N TYR A 22 1.887 28.763 2.042 1.00 73.41 N ATOM 314 CA TYR A 22 0.581 28.917 1.414 1.00 25.14 C ATOM 315 C TYR A 22 -0.069 27.560 1.165 1.00 21.32 C ATOM 316 O TYR A 22 0.496 26.701 0.487 1.00 14.24 O ATOM 317 CB TYR A 22 0.712 29.682 0.096 1.00 71.24 C ATOM 318 CG TYR A 22 0.792 31.182 0.271 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.083 31.849 1.118 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.744 31.930 -0.412 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.014 33.220 1.280 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.820 33.301 -0.255 1.00 75.54 C ATOM 323 CZ TYR A 22 0.940 33.940 0.592 1.00 12.31 C ATOM 324 OH TYR A 22 1.012 35.306 0.752 1.00 10.53 O ATOM 0 H TYR A 22 2.669 28.742 1.388 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.055 29.484 2.094 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.604 29.338 -0.427 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.141 29.444 -0.539 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.830 31.287 1.659 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.435 31.432 -1.076 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.703 33.724 1.941 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.565 33.869 -0.793 1.00 75.54 H new ATOM 0 HH TYR A 22 1.738 35.662 0.199 1.00 10.53 H new ATOM 334 N THR A 23 -1.262 27.371 1.718 1.00 31.22 N ATOM 335 CA THR A 23 -1.991 26.120 1.559 1.00 12.23 C ATOM 336 C THR A 23 -2.053 25.703 0.094 1.00 3.11 C ATOM 337 O THR A 23 -1.836 26.506 -0.814 1.00 50.51 O ATOM 338 CB THR A 23 -3.424 26.227 2.112 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.840 27.598 2.129 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.507 25.650 3.516 1.00 42.22 C ATOM 0 H THR A 23 -1.745 28.071 2.282 1.00 31.22 H new ATOM 0 HA THR A 23 -1.448 25.365 2.127 1.00 12.23 H new ATOM 0 HB THR A 23 -4.085 25.654 1.462 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.753 27.659 2.480 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.529 25.737 3.885 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.217 24.600 3.495 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.835 26.199 4.175 1.00 42.22 H new ATOM 348 N PRO A 24 -2.360 24.419 -0.146 1.00 10.51 N ATOM 349 CA PRO A 24 -2.459 23.868 -1.501 1.00 1.33 C ATOM 350 C PRO A 24 -3.674 24.399 -2.254 1.00 0.42 C ATOM 351 O PRO A 24 -4.658 24.821 -1.645 1.00 21.20 O ATOM 352 CB PRO A 24 -2.594 22.363 -1.261 1.00 42.41 C ATOM 353 CG PRO A 24 -3.179 22.247 0.104 1.00 13.41 C ATOM 354 CD PRO A 24 -2.631 23.408 0.888 1.00 22.44 C ATOM 0 HA PRO A 24 -1.602 24.140 -2.117 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.238 21.899 -2.008 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.627 21.864 -1.321 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.268 22.280 0.066 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.905 21.299 0.567 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.348 23.769 1.625 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.726 23.135 1.431 1.00 22.44 H new ATOM 362 N ARG A 25 -3.598 24.377 -3.581 1.00 41.50 N ATOM 363 CA ARG A 25 -4.691 24.856 -4.416 1.00 11.30 C ATOM 364 C ARG A 25 -4.912 26.353 -4.218 1.00 42.24 C ATOM 365 O ARG A 25 -5.985 26.877 -4.514 1.00 30.50 O ATOM 366 CB ARG A 25 -5.979 24.093 -4.098 1.00 71.35 C ATOM 367 CG ARG A 25 -5.803 22.584 -4.077 1.00 24.20 C ATOM 368 CD ARG A 25 -5.612 22.025 -5.479 1.00 13.12 C ATOM 369 NE ARG A 25 -4.269 22.283 -5.991 1.00 61.42 N ATOM 370 CZ ARG A 25 -3.960 22.273 -7.283 1.00 63.21 C ATOM 371 NH1 ARG A 25 -4.895 22.017 -8.188 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -2.717 22.517 -7.673 1.00 31.52 N ATOM 0 H ARG A 25 -2.790 24.032 -4.100 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.421 24.681 -5.457 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.355 24.420 -3.129 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.737 24.352 -4.838 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -4.942 22.326 -3.461 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -6.675 22.121 -3.615 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -5.796 20.951 -5.470 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.348 22.469 -6.150 1.00 13.12 H new ATOM 0 HE ARG A 25 -3.527 22.482 -5.320 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -5.853 21.828 -7.892 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -4.656 22.010 -9.180 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -1.994 22.713 -6.980 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -2.483 22.509 -8.666 1.00 31.52 H new ATOM 386 N ARG A 26 -3.888 27.034 -3.713 1.00 23.54 N ATOM 387 CA ARG A 26 -3.971 28.470 -3.472 1.00 14.21 C ATOM 388 C ARG A 26 -3.050 29.234 -4.419 1.00 22.51 C ATOM 389 O ARG A 26 -1.955 28.773 -4.743 1.00 34.12 O ATOM 390 CB ARG A 26 -3.604 28.787 -2.021 1.00 32.13 C ATOM 391 CG ARG A 26 -4.571 29.745 -1.344 1.00 14.42 C ATOM 392 CD ARG A 26 -3.973 31.138 -1.213 1.00 12.23 C ATOM 393 NE ARG A 26 -5.004 32.170 -1.141 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.677 32.461 -0.033 1.00 71.13 C ATOM 395 NH1 ARG A 26 -5.429 31.800 1.089 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.600 33.414 -0.047 1.00 33.14 N ATOM 0 H ARG A 26 -2.992 26.615 -3.463 1.00 23.54 H new ATOM 0 HA ARG A 26 -4.998 28.786 -3.657 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.569 27.858 -1.453 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.602 29.216 -1.994 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.496 29.797 -1.919 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.831 29.365 -0.356 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.351 31.183 -0.319 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.322 31.335 -2.064 1.00 12.23 H new ATOM 0 HE ARG A 26 -5.219 32.696 -1.988 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -4.720 31.066 1.103 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -5.947 32.025 1.939 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.793 33.924 -0.909 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -7.116 33.637 0.804 1.00 33.14 H new ATOM 410 N ARG A 27 -3.502 30.402 -4.859 1.00 50.31 N ATOM 411 CA ARG A 27 -2.719 31.230 -5.771 1.00 40.43 C ATOM 412 C ARG A 27 -1.402 31.652 -5.127 1.00 64.30 C ATOM 413 O ARG A 27 -1.388 32.241 -4.045 1.00 33.14 O ATOM 414 CB ARG A 27 -3.517 32.468 -6.183 1.00 5.30 C ATOM 415 CG ARG A 27 -2.708 33.476 -6.982 1.00 61.13 C ATOM 416 CD ARG A 27 -3.559 34.664 -7.407 1.00 24.42 C ATOM 417 NE ARG A 27 -3.883 35.536 -6.280 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.544 36.680 -6.405 1.00 44.13 C ATOM 419 NH1 ARG A 27 -4.951 37.089 -7.598 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -4.801 37.419 -5.332 1.00 21.32 N ATOM 0 H ARG A 27 -4.406 30.798 -4.600 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.497 30.638 -6.659 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.377 32.155 -6.774 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -3.905 32.954 -5.288 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -1.867 33.825 -6.383 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.291 32.991 -7.865 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.028 35.237 -8.168 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.481 34.305 -7.864 1.00 24.42 H new ATOM 0 HE ARG A 27 -3.585 35.250 -5.347 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -4.757 36.524 -8.425 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.459 37.969 -7.690 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.490 37.107 -4.412 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.309 38.298 -5.428 1.00 21.32 H new ATOM 434 N CYS A 28 -0.296 31.349 -5.798 1.00 43.33 N ATOM 435 CA CYS A 28 1.026 31.695 -5.292 1.00 31.31 C ATOM 436 C CYS A 28 1.910 32.239 -6.410 1.00 63.13 C ATOM 437 O CYS A 28 1.556 32.171 -7.587 1.00 50.44 O ATOM 438 CB CYS A 28 1.686 30.471 -4.654 1.00 52.41 C ATOM 439 SG CYS A 28 1.777 29.018 -5.748 1.00 5.44 S ATOM 0 H CYS A 28 -0.290 30.864 -6.695 1.00 43.33 H new ATOM 0 HA CYS A 28 0.908 32.471 -4.536 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.695 30.739 -4.339 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.132 30.201 -3.755 1.00 52.41 H new ATOM 444 N THR A 29 3.066 32.778 -6.033 1.00 73.01 N ATOM 445 CA THR A 29 4.001 33.336 -7.002 1.00 32.12 C ATOM 446 C THR A 29 5.330 32.590 -6.975 1.00 33.55 C ATOM 447 O THR A 29 6.004 32.465 -7.998 1.00 51.13 O ATOM 448 CB THR A 29 4.260 34.831 -6.738 1.00 20.25 C ATOM 449 OG1 THR A 29 5.327 35.298 -7.571 1.00 30.25 O ATOM 450 CG2 THR A 29 4.609 35.070 -5.276 1.00 44.55 C ATOM 0 H THR A 29 3.377 32.840 -5.063 1.00 73.01 H new ATOM 0 HA THR A 29 3.542 33.223 -7.984 1.00 32.12 H new ATOM 0 HB THR A 29 3.349 35.382 -6.972 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.484 36.250 -7.398 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.788 36.133 -5.114 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.783 34.741 -4.646 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.507 34.508 -5.020 1.00 44.55 H new ATOM 458 N SER A 30 5.702 32.094 -5.799 1.00 63.54 N ATOM 459 CA SER A 30 6.953 31.362 -5.639 1.00 12.44 C ATOM 460 C SER A 30 6.698 29.967 -5.073 1.00 32.23 C ATOM 461 O SER A 30 5.879 29.793 -4.172 1.00 42.24 O ATOM 462 CB SER A 30 7.904 32.131 -4.721 1.00 1.42 C ATOM 463 OG SER A 30 7.805 33.528 -4.938 1.00 24.25 O ATOM 0 H SER A 30 5.155 32.186 -4.943 1.00 63.54 H new ATOM 0 HA SER A 30 7.413 31.258 -6.622 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.672 31.904 -3.680 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.929 31.804 -4.898 1.00 1.42 H new ATOM 0 HG SER A 30 7.536 33.970 -4.106 1.00 24.25 H new ATOM 469 N ALA A 31 7.405 28.980 -5.611 1.00 62.45 N ATOM 470 CA ALA A 31 7.258 27.601 -5.159 1.00 32.30 C ATOM 471 C ALA A 31 7.661 27.458 -3.695 1.00 10.12 C ATOM 472 O ALA A 31 7.071 26.671 -2.954 1.00 65.45 O ATOM 473 CB ALA A 31 8.087 26.670 -6.030 1.00 44.20 C ATOM 0 H ALA A 31 8.085 29.108 -6.360 1.00 62.45 H new ATOM 0 HA ALA A 31 6.207 27.325 -5.248 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.968 25.644 -5.682 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.750 26.743 -7.064 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.138 26.954 -5.969 1.00 44.20 H new ATOM 479 N ASP A 32 8.668 28.220 -3.286 1.00 12.20 N ATOM 480 CA ASP A 32 9.150 28.178 -1.909 1.00 73.45 C ATOM 481 C ASP A 32 8.007 28.417 -0.927 1.00 71.20 C ATOM 482 O ASP A 32 7.972 27.828 0.152 1.00 64.22 O ATOM 483 CB ASP A 32 10.248 29.221 -1.699 1.00 74.03 C ATOM 484 CG ASP A 32 11.216 28.828 -0.600 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.820 28.875 0.583 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.369 28.475 -0.924 1.00 52.31 O ATOM 0 H ASP A 32 9.167 28.875 -3.888 1.00 12.20 H new ATOM 0 HA ASP A 32 9.563 27.186 -1.723 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.797 29.359 -2.631 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.792 30.180 -1.452 1.00 74.03 H new ATOM 491 N GLN A 33 7.077 29.285 -1.309 1.00 13.05 N ATOM 492 CA GLN A 33 5.935 29.603 -0.460 1.00 61.53 C ATOM 493 C GLN A 33 4.994 28.410 -0.345 1.00 21.20 C ATOM 494 O GLN A 33 4.471 28.120 0.732 1.00 62.33 O ATOM 495 CB GLN A 33 5.179 30.812 -1.018 1.00 1.33 C ATOM 496 CG GLN A 33 5.964 32.112 -0.932 1.00 24.41 C ATOM 497 CD GLN A 33 5.645 33.059 -2.072 1.00 55.02 C ATOM 498 OE1 GLN A 33 6.543 33.657 -2.667 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.363 33.204 -2.381 1.00 41.24 N ATOM 0 H GLN A 33 7.091 29.781 -2.200 1.00 13.05 H new ATOM 0 HA GLN A 33 6.310 29.844 0.535 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.922 30.620 -2.060 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.241 30.927 -0.474 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.745 32.603 0.016 1.00 24.41 H new ATOM 0 HG3 GLN A 33 7.031 31.889 -0.937 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.652 32.689 -1.862 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.088 33.830 -3.138 1.00 41.24 H new ATOM 508 N CYS A 34 4.781 27.719 -1.460 1.00 20.44 N ATOM 509 CA CYS A 34 3.902 26.557 -1.484 1.00 42.12 C ATOM 510 C CYS A 34 4.277 25.568 -0.385 1.00 14.23 C ATOM 511 O CYS A 34 5.420 25.119 -0.301 1.00 24.15 O ATOM 512 CB CYS A 34 3.969 25.868 -2.850 1.00 20.31 C ATOM 513 SG CYS A 34 3.094 24.274 -2.922 1.00 43.23 S ATOM 0 H CYS A 34 5.206 27.944 -2.359 1.00 20.44 H new ATOM 0 HA CYS A 34 2.883 26.900 -1.307 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.549 26.535 -3.602 1.00 20.31 H new ATOM 0 HB3 CYS A 34 5.015 25.709 -3.114 1.00 20.31 H new ATOM 518 N CYS A 35 3.305 25.232 0.457 1.00 63.44 N ATOM 519 CA CYS A 35 3.531 24.296 1.553 1.00 62.12 C ATOM 520 C CYS A 35 4.183 23.013 1.046 1.00 75.41 C ATOM 521 O CYS A 35 3.649 22.340 0.163 1.00 52.33 O ATOM 522 CB CYS A 35 2.211 23.969 2.252 1.00 15.41 C ATOM 523 SG CYS A 35 1.458 25.383 3.117 1.00 54.35 S ATOM 0 H CYS A 35 2.353 25.594 0.401 1.00 63.44 H new ATOM 0 HA CYS A 35 4.205 24.767 2.268 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.505 23.591 1.513 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.381 23.167 2.970 1.00 15.41 H new ATOM 528 N ARG A 36 5.340 22.679 1.610 1.00 74.42 N ATOM 529 CA ARG A 36 6.064 21.478 1.215 1.00 31.31 C ATOM 530 C ARG A 36 5.296 20.222 1.620 1.00 11.50 C ATOM 531 O ARG A 36 4.428 20.251 2.492 1.00 64.44 O ATOM 532 CB ARG A 36 7.456 21.465 1.850 1.00 74.21 C ATOM 533 CG ARG A 36 8.519 22.137 0.998 1.00 33.43 C ATOM 534 CD ARG A 36 9.742 22.507 1.822 1.00 52.41 C ATOM 535 NE ARG A 36 10.454 21.328 2.305 1.00 64.13 N ATOM 536 CZ ARG A 36 11.661 21.372 2.860 1.00 24.21 C ATOM 537 NH1 ARG A 36 12.286 22.533 3.003 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.244 20.255 3.276 1.00 13.25 N ATOM 0 H ARG A 36 5.795 23.224 2.342 1.00 74.42 H new ATOM 0 HA ARG A 36 6.167 21.486 0.130 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.409 21.964 2.818 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.751 20.433 2.037 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.813 21.470 0.188 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.104 23.034 0.537 1.00 33.43 H new ATOM 0 HD2 ARG A 36 10.416 23.115 1.218 1.00 52.41 H new ATOM 0 HD3 ARG A 36 9.436 23.118 2.671 1.00 52.41 H new ATOM 0 HE ARG A 36 10.000 20.419 2.211 1.00 64.13 H new ATOM 0 HH11 ARG A 36 11.840 23.394 2.687 1.00 61.22 H new ATOM 0 HH12 ARG A 36 13.212 22.565 3.429 1.00 61.22 H new ATOM 0 HH21 ARG A 36 11.766 19.360 3.170 1.00 13.25 H new ATOM 0 HH22 ARG A 36 13.170 20.291 3.702 1.00 13.25 H new ATOM 552 N PRO A 37 5.623 19.094 0.973 1.00 2.54 N ATOM 553 CA PRO A 37 4.977 17.808 1.249 1.00 73.11 C ATOM 554 C PRO A 37 5.358 17.249 2.616 1.00 25.00 C ATOM 555 O PRO A 37 6.363 17.650 3.204 1.00 22.30 O ATOM 556 CB PRO A 37 5.505 16.900 0.135 1.00 11.35 C ATOM 557 CG PRO A 37 6.808 17.503 -0.261 1.00 4.20 C ATOM 558 CD PRO A 37 6.649 18.987 -0.078 1.00 42.10 C ATOM 0 HA PRO A 37 3.891 17.894 1.270 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.633 15.876 0.486 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.814 16.864 -0.707 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.620 17.118 0.356 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.052 17.261 -1.295 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.585 19.457 0.225 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.332 19.474 -1.000 1.00 42.10 H new ATOM 566 N TYR A 38 4.549 16.322 3.117 1.00 62.25 N ATOM 567 CA TYR A 38 4.800 15.710 4.416 1.00 14.44 C ATOM 568 C TYR A 38 6.128 14.959 4.417 1.00 34.42 C ATOM 569 O TYR A 38 6.763 14.799 5.460 1.00 11.41 O ATOM 570 CB TYR A 38 3.661 14.756 4.783 1.00 22.13 C ATOM 571 CG TYR A 38 3.632 14.383 6.248 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.542 13.471 6.770 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.696 14.942 7.109 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.518 13.125 8.106 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.666 14.604 8.448 1.00 22.03 C ATOM 576 CZ TYR A 38 3.580 13.695 8.943 1.00 53.42 C ATOM 577 OH TYR A 38 3.554 13.354 10.276 1.00 22.44 O ATOM 0 H TYR A 38 3.714 15.978 2.643 1.00 62.25 H new ATOM 0 HA TYR A 38 4.853 16.505 5.160 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.711 15.218 4.515 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.753 13.848 4.187 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.280 13.026 6.119 1.00 30.11 H new ATOM 0 HD2 TYR A 38 1.980 15.653 6.725 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.230 12.412 8.495 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.932 15.048 9.104 1.00 22.03 H new ATOM 0 HH TYR A 38 2.835 13.845 10.725 1.00 22.44 H new ATOM 587 N ASP A 39 6.542 14.500 3.241 1.00 32.30 N ATOM 588 CA ASP A 39 7.793 13.767 3.104 1.00 33.55 C ATOM 589 C ASP A 39 8.473 14.096 1.779 1.00 15.11 C ATOM 590 O ASP A 39 8.067 13.611 0.723 1.00 13.04 O ATOM 591 CB ASP A 39 7.542 12.262 3.203 1.00 24.25 C ATOM 592 CG ASP A 39 8.715 11.516 3.809 1.00 54.15 C ATOM 593 OD1 ASP A 39 9.724 12.172 4.145 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 8.624 10.279 3.948 1.00 4.51 O ATOM 0 H ASP A 39 6.028 14.623 2.369 1.00 32.30 H new ATOM 0 HA ASP A 39 8.453 14.071 3.916 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.652 12.084 3.806 1.00 24.25 H new ATOM 0 HB3 ASP A 39 7.338 11.865 2.209 1.00 24.25 H new ATOM 599 N THR A 40 9.511 14.924 1.841 1.00 42.33 N ATOM 600 CA THR A 40 10.246 15.320 0.646 1.00 51.22 C ATOM 601 C THR A 40 10.834 14.107 -0.065 1.00 5.24 C ATOM 602 O THR A 40 11.090 14.143 -1.269 1.00 55.42 O ATOM 603 CB THR A 40 11.384 16.302 0.985 1.00 52.44 C ATOM 604 OG1 THR A 40 11.902 16.020 2.290 1.00 3.03 O ATOM 605 CG2 THR A 40 10.890 17.741 0.930 1.00 32.04 C ATOM 0 H THR A 40 9.862 15.334 2.707 1.00 42.33 H new ATOM 0 HA THR A 40 9.533 15.815 -0.013 1.00 51.22 H new ATOM 0 HB THR A 40 12.175 16.177 0.246 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.626 16.647 2.497 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.710 18.417 1.173 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.523 17.962 -0.072 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.083 17.876 1.650 1.00 32.04 H new ATOM 613 N THR A 41 11.043 13.030 0.686 1.00 61.40 N ATOM 614 CA THR A 41 11.601 11.806 0.128 1.00 21.31 C ATOM 615 C THR A 41 10.543 11.019 -0.638 1.00 74.10 C ATOM 616 O THR A 41 10.865 10.110 -1.404 1.00 32.32 O ATOM 617 CB THR A 41 12.197 10.907 1.227 1.00 11.20 C ATOM 618 OG1 THR A 41 11.185 10.557 2.177 1.00 50.03 O ATOM 619 CG2 THR A 41 13.344 11.610 1.937 1.00 40.10 C ATOM 0 H THR A 41 10.834 12.982 1.683 1.00 61.40 H new ATOM 0 HA THR A 41 12.395 12.105 -0.556 1.00 21.31 H new ATOM 0 HB THR A 41 12.581 10.002 0.756 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.572 9.984 2.871 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.749 10.956 2.709 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.126 11.849 1.216 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.979 12.529 2.395 1.00 40.10 H new ATOM 627 N ALA A 42 9.281 11.374 -0.426 1.00 33.42 N ATOM 628 CA ALA A 42 8.175 10.703 -1.099 1.00 33.24 C ATOM 629 C ALA A 42 7.217 11.711 -1.723 1.00 22.22 C ATOM 630 O ALA A 42 6.056 11.398 -1.986 1.00 41.33 O ATOM 631 CB ALA A 42 7.433 9.802 -0.122 1.00 72.43 C ATOM 0 H ALA A 42 8.998 12.123 0.206 1.00 33.42 H new ATOM 0 HA ALA A 42 8.588 10.091 -1.901 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.610 9.307 -0.637 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.118 9.051 0.273 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.039 10.402 0.699 1.00 72.43 H new ATOM 637 N ALA A 43 7.712 12.923 -1.956 1.00 12.24 N ATOM 638 CA ALA A 43 6.900 13.978 -2.551 1.00 72.33 C ATOM 639 C ALA A 43 7.713 15.253 -2.744 1.00 51.10 C ATOM 640 O ALA A 43 8.800 15.399 -2.185 1.00 33.12 O ATOM 641 CB ALA A 43 5.679 14.255 -1.686 1.00 43.44 C ATOM 0 H ALA A 43 8.671 13.198 -1.742 1.00 12.24 H new ATOM 0 HA ALA A 43 6.568 13.638 -3.532 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.082 15.045 -2.142 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.079 13.349 -1.602 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.000 14.570 -0.693 1.00 43.44 H new ATOM 647 N PHE A 44 7.180 16.174 -3.541 1.00 14.41 N ATOM 648 CA PHE A 44 7.858 17.437 -3.810 1.00 61.30 C ATOM 649 C PHE A 44 6.867 18.598 -3.801 1.00 33.54 C ATOM 650 O PHE A 44 5.654 18.393 -3.764 1.00 25.14 O ATOM 651 CB PHE A 44 8.578 17.376 -5.159 1.00 4.30 C ATOM 652 CG PHE A 44 7.710 16.876 -6.278 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.552 15.517 -6.495 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.055 17.766 -7.115 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.756 15.054 -7.527 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.257 17.309 -8.147 1.00 31.10 C ATOM 657 CZ PHE A 44 6.106 15.952 -8.351 1.00 44.43 C ATOM 0 H PHE A 44 6.281 16.069 -4.012 1.00 14.41 H new ATOM 0 HA PHE A 44 8.592 17.603 -3.022 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.946 18.371 -5.411 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.450 16.728 -5.068 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.056 14.811 -5.851 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.169 18.829 -6.959 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.643 13.992 -7.688 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.752 18.012 -8.793 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.480 15.593 -9.154 1.00 44.43 H new ATOM 667 N HIS A 45 7.395 19.817 -3.833 1.00 30.01 N ATOM 668 CA HIS A 45 6.558 21.012 -3.829 1.00 13.52 C ATOM 669 C HIS A 45 6.798 21.848 -5.082 1.00 32.25 C ATOM 670 O HIS A 45 7.742 21.602 -5.834 1.00 34.05 O ATOM 671 CB HIS A 45 6.838 21.851 -2.581 1.00 41.02 C ATOM 672 CG HIS A 45 8.111 22.635 -2.660 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.319 22.160 -2.196 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.360 23.872 -3.153 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.255 23.068 -2.399 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.699 24.118 -2.979 1.00 4.31 N ATOM 0 H HIS A 45 8.397 20.004 -3.862 1.00 30.01 H new ATOM 0 HA HIS A 45 5.515 20.695 -3.819 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.007 22.538 -2.421 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.879 21.193 -1.713 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.639 24.540 -3.600 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.298 22.970 -2.136 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.186 24.972 -3.253 1.00 4.31 H new ATOM 684 N GLY A 46 5.938 22.838 -5.302 1.00 15.53 N ATOM 685 CA GLY A 46 6.073 23.694 -6.465 1.00 51.15 C ATOM 686 C GLY A 46 4.816 24.494 -6.746 1.00 30.33 C ATOM 687 O GLY A 46 3.727 24.127 -6.304 1.00 1.11 O ATOM 0 H GLY A 46 5.150 23.062 -4.695 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.909 24.377 -6.314 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.314 23.084 -7.335 1.00 51.15 H new ATOM 691 N CYS A 47 4.965 25.588 -7.485 1.00 73.31 N ATOM 692 CA CYS A 47 3.834 26.444 -7.823 1.00 12.40 C ATOM 693 C CYS A 47 3.517 26.362 -9.313 1.00 61.22 C ATOM 694 O CYS A 47 4.361 26.665 -10.156 1.00 61.52 O ATOM 695 CB CYS A 47 4.129 27.893 -7.432 1.00 0.44 C ATOM 696 SG CYS A 47 3.645 28.316 -5.727 1.00 52.01 S ATOM 0 H CYS A 47 5.859 25.903 -7.862 1.00 73.31 H new ATOM 0 HA CYS A 47 2.966 26.094 -7.265 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.196 28.081 -7.553 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.608 28.557 -8.122 1.00 0.44 H new ATOM 701 N GLY A 48 2.294 25.950 -9.632 1.00 51.40 N ATOM 702 CA GLY A 48 1.887 25.836 -11.019 1.00 22.12 C ATOM 703 C GLY A 48 0.483 25.286 -11.170 1.00 74.05 C ATOM 704 O GLY A 48 -0.358 25.463 -10.287 1.00 74.34 O ATOM 0 H GLY A 48 1.577 25.693 -8.953 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.942 26.817 -11.492 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.586 25.188 -11.547 1.00 22.12 H new ATOM 708 N ARG A 49 0.225 24.619 -12.289 1.00 34.44 N ATOM 709 CA ARG A 49 -1.089 24.043 -12.552 1.00 43.42 C ATOM 710 C ARG A 49 -0.961 22.639 -13.133 1.00 72.42 C ATOM 711 O ARG A 49 -0.302 22.437 -14.154 1.00 32.25 O ATOM 712 CB ARG A 49 -1.876 24.935 -13.513 1.00 63.11 C ATOM 713 CG ARG A 49 -1.982 26.381 -13.055 1.00 51.12 C ATOM 714 CD ARG A 49 -2.335 27.306 -14.210 1.00 22.53 C ATOM 715 NE ARG A 49 -1.265 27.381 -15.200 1.00 64.14 N ATOM 716 CZ ARG A 49 -1.186 28.327 -16.129 1.00 64.40 C ATOM 717 NH1 ARG A 49 -2.112 29.273 -16.195 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 -0.181 28.327 -16.995 1.00 63.11 N ATOM 0 H ARG A 49 0.909 24.463 -13.030 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.626 23.977 -11.606 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.400 24.907 -14.493 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.879 24.527 -13.635 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.741 26.463 -12.277 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.036 26.694 -12.612 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -3.248 26.954 -14.690 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.542 28.304 -13.824 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.537 26.667 -15.177 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -2.887 29.275 -15.532 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -2.050 29.999 -16.909 1.00 71.52 H new ATOM 0 HH21 ARG A 49 0.533 27.600 -16.948 1.00 63.11 H new ATOM 0 HH22 ARG A 49 -0.122 29.054 -17.708 1.00 63.11 H new ATOM 732 N ILE A 50 -1.593 21.672 -12.477 1.00 45.20 N ATOM 733 CA ILE A 50 -1.551 20.287 -12.928 1.00 24.22 C ATOM 734 C ILE A 50 -2.917 19.831 -13.432 1.00 32.02 C ATOM 735 O ILE A 50 -3.010 18.961 -14.298 1.00 4.22 O ATOM 736 CB ILE A 50 -1.089 19.342 -11.804 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.851 19.641 -10.512 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.410 19.475 -11.583 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.878 18.479 -9.544 1.00 33.13 C ATOM 0 H ILE A 50 -2.141 21.823 -11.630 1.00 45.20 H new ATOM 0 HA ILE A 50 -0.832 20.244 -13.746 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.303 18.316 -12.101 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.395 20.501 -10.022 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.875 19.921 -10.760 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.721 18.801 -10.785 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.937 19.218 -12.502 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.647 20.502 -11.303 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.435 18.762 -8.651 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.361 17.623 -10.016 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.858 18.213 -9.266 1.00 33.13 H new ATOM 751 N TRP A 51 -3.970 20.425 -12.885 1.00 65.10 N ATOM 752 CA TRP A 51 -5.331 20.081 -13.280 1.00 64.31 C ATOM 753 C TRP A 51 -5.867 21.072 -14.308 1.00 21.13 C ATOM 754 O TRP A 51 -5.426 22.218 -14.389 1.00 63.40 O ATOM 755 CB TRP A 51 -6.248 20.051 -12.055 1.00 25.32 C ATOM 756 CG TRP A 51 -5.924 18.944 -11.097 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.188 19.043 -9.951 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.323 17.574 -11.205 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.105 17.815 -9.339 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.794 16.898 -10.087 1.00 35.13 C ATOM 761 CE3 TRP A 51 -7.077 16.852 -12.134 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.996 15.536 -9.877 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.275 15.501 -11.924 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.738 14.854 -10.804 1.00 32.35 C ATOM 0 H TRP A 51 -3.908 21.147 -12.167 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.311 19.090 -13.734 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.177 21.006 -11.533 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.281 19.945 -12.386 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -4.738 19.952 -9.580 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.610 17.619 -8.469 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.497 17.341 -13.000 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.582 15.036 -9.014 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.855 14.933 -12.637 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.912 13.797 -10.669 1.00 32.35 H new ATOM 775 N PRO A 52 -6.842 20.622 -15.113 1.00 33.22 N ATOM 776 CA PRO A 52 -7.459 21.454 -16.150 1.00 11.42 C ATOM 777 C PRO A 52 -8.321 22.566 -15.563 1.00 61.34 C ATOM 778 O PRO A 52 -8.437 23.648 -16.139 1.00 42.35 O ATOM 779 CB PRO A 52 -8.323 20.463 -16.933 1.00 73.34 C ATOM 780 CG PRO A 52 -8.623 19.374 -15.963 1.00 72.40 C ATOM 781 CD PRO A 52 -7.415 19.267 -15.073 1.00 33.43 C ATOM 0 HA PRO A 52 -6.714 21.964 -16.760 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.237 20.934 -17.294 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.794 20.081 -17.806 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.516 19.604 -15.382 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.812 18.433 -16.479 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.688 18.976 -14.059 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.710 18.521 -15.440 1.00 33.43 H new ATOM 789 N LYS A 53 -8.927 22.294 -14.411 1.00 42.35 N ATOM 790 CA LYS A 53 -9.778 23.271 -13.744 1.00 54.32 C ATOM 791 C LYS A 53 -9.029 24.578 -13.513 1.00 33.53 C ATOM 792 O LYS A 53 -9.614 25.661 -13.580 1.00 74.30 O ATOM 793 CB LYS A 53 -10.279 22.715 -12.410 1.00 22.44 C ATOM 794 CG LYS A 53 -11.720 23.082 -12.099 1.00 55.12 C ATOM 795 CD LYS A 53 -12.676 21.965 -12.484 1.00 65.22 C ATOM 796 CE LYS A 53 -12.998 21.997 -13.971 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.429 21.681 -14.236 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.844 21.404 -13.920 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.632 23.472 -14.390 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.184 21.629 -12.420 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -9.638 23.084 -11.609 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -11.820 23.297 -11.035 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.988 23.992 -12.635 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.235 21.002 -12.226 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.597 22.058 -11.909 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.764 22.983 -14.372 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.365 21.281 -14.495 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.608 21.713 -15.260 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.647 20.730 -13.876 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -15.033 22.379 -13.757 1.00 32.33 H new ATOM 811 N ASP A 54 -7.732 24.472 -13.243 1.00 52.15 N ATOM 812 CA ASP A 54 -6.902 25.647 -13.005 1.00 1.22 C ATOM 813 C ASP A 54 -6.513 26.314 -14.320 1.00 22.44 C ATOM 814 O ASP A 54 -6.297 27.525 -14.375 1.00 3.21 O ATOM 815 CB ASP A 54 -5.645 25.260 -12.223 1.00 23.13 C ATOM 816 CG ASP A 54 -5.914 25.087 -10.742 1.00 24.34 C ATOM 817 OD1 ASP A 54 -6.913 24.425 -10.393 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.125 25.616 -9.929 1.00 52.31 O ATOM 0 H ASP A 54 -7.233 23.584 -13.184 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.482 26.358 -12.417 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.241 24.331 -12.627 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.883 26.027 -12.364 1.00 23.13 H new ATOM 823 N LYS A 55 -6.427 25.515 -15.379 1.00 0.11 N ATOM 824 CA LYS A 55 -6.064 26.027 -16.695 1.00 71.30 C ATOM 825 C LYS A 55 -7.074 27.067 -17.172 1.00 30.04 C ATOM 826 O LYS A 55 -6.700 28.161 -17.596 1.00 33.44 O ATOM 827 CB LYS A 55 -5.982 24.881 -17.705 1.00 4.34 C ATOM 828 CG LYS A 55 -4.598 24.691 -18.300 1.00 61.13 C ATOM 829 CD LYS A 55 -3.824 23.604 -17.573 1.00 32.24 C ATOM 830 CE LYS A 55 -2.433 23.421 -18.162 1.00 73.20 C ATOM 831 NZ LYS A 55 -2.486 22.993 -19.587 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.604 24.511 -15.351 1.00 0.11 H new ATOM 0 HA LYS A 55 -5.087 26.504 -16.615 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -6.288 23.956 -17.217 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.692 25.067 -18.511 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.687 24.432 -19.355 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.046 25.629 -18.247 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -3.742 23.859 -16.516 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -4.372 22.664 -17.633 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -1.880 24.357 -18.084 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -1.887 22.679 -17.580 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -1.541 22.684 -19.892 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.157 22.205 -19.688 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -2.797 23.790 -20.178 1.00 23.02 H new ATOM 845 N ARG A 56 -8.355 26.719 -17.098 1.00 42.23 N ATOM 846 CA ARG A 56 -9.418 27.623 -17.521 1.00 60.15 C ATOM 847 C ARG A 56 -9.356 28.935 -16.746 1.00 33.12 C ATOM 848 O ARG A 56 -9.809 29.974 -17.229 1.00 23.12 O ATOM 849 CB ARG A 56 -10.785 26.966 -17.323 1.00 63.23 C ATOM 850 CG ARG A 56 -11.280 27.012 -15.886 1.00 4.43 C ATOM 851 CD ARG A 56 -12.134 25.799 -15.552 1.00 71.40 C ATOM 852 NE ARG A 56 -12.930 26.005 -14.345 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.069 26.689 -14.325 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.545 27.227 -15.439 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.736 26.833 -13.186 1.00 63.40 N ATOM 0 H ARG A 56 -8.682 25.818 -16.749 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.276 27.839 -18.580 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -11.513 27.461 -17.965 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.729 25.927 -17.646 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.428 27.056 -15.208 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -11.860 27.921 -15.729 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.796 25.580 -16.390 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.491 24.929 -15.418 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.594 25.602 -13.470 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.037 27.117 -16.316 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -15.420 27.751 -15.419 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -14.374 26.419 -12.327 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -15.610 27.358 -13.170 1.00 63.40 H new ATOM 869 N GLU A 57 -8.792 28.882 -15.544 1.00 1.14 N ATOM 870 CA GLU A 57 -8.672 30.067 -14.703 1.00 73.50 C ATOM 871 C GLU A 57 -7.391 30.832 -15.019 1.00 75.12 C ATOM 872 O GLU A 57 -7.281 32.026 -14.742 1.00 65.11 O ATOM 873 CB GLU A 57 -8.692 29.674 -13.225 1.00 24.12 C ATOM 874 CG GLU A 57 -10.037 29.149 -12.752 1.00 62.23 C ATOM 875 CD GLU A 57 -10.003 28.665 -11.315 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.539 29.429 -10.443 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.440 27.522 -11.062 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.411 28.031 -15.130 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.523 30.716 -14.911 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.932 28.912 -13.050 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.418 30.541 -12.624 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.784 29.937 -12.848 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.351 28.330 -13.400 1.00 62.23 H new ATOM 884 N LYS A 58 -6.421 30.134 -15.603 1.00 50.53 N ATOM 885 CA LYS A 58 -5.147 30.747 -15.960 1.00 42.02 C ATOM 886 C LYS A 58 -4.475 31.359 -14.735 1.00 73.23 C ATOM 887 O LYS A 58 -4.202 32.558 -14.698 1.00 73.04 O ATOM 888 CB LYS A 58 -5.353 31.819 -17.030 1.00 61.50 C ATOM 889 CG LYS A 58 -5.900 31.274 -18.339 1.00 44.31 C ATOM 890 CD LYS A 58 -4.783 30.935 -19.312 1.00 22.35 C ATOM 891 CE LYS A 58 -4.336 29.488 -19.165 1.00 42.41 C ATOM 892 NZ LYS A 58 -3.392 29.086 -20.243 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.494 29.144 -15.839 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.498 29.967 -16.358 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -6.037 32.576 -16.647 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -4.402 32.316 -17.222 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.496 30.383 -18.142 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -6.566 32.009 -18.790 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -5.123 31.110 -20.333 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.935 31.598 -19.140 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.858 29.353 -18.195 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -5.208 28.835 -19.184 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -3.112 28.094 -20.107 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.856 29.191 -21.168 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.548 29.692 -20.209 1.00 3.31 H new ATOM 906 N VAL A 59 -4.211 30.527 -13.732 1.00 2.35 N ATOM 907 CA VAL A 59 -3.569 30.987 -12.507 1.00 3.13 C ATOM 908 C VAL A 59 -2.807 29.855 -11.827 1.00 32.04 C ATOM 909 O VAL A 59 -3.352 28.774 -11.600 1.00 24.43 O ATOM 910 CB VAL A 59 -4.599 31.565 -11.516 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.691 30.546 -11.227 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.913 32.002 -10.230 1.00 61.33 C ATOM 0 H VAL A 59 -4.432 29.531 -13.744 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.869 31.772 -12.792 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.063 32.441 -11.970 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.409 30.971 -10.526 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.200 30.286 -12.155 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.247 29.650 -10.793 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.655 32.408 -9.542 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.422 31.145 -9.770 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.171 32.767 -10.456 1.00 61.33 H new ATOM 922 N ASP A 60 -1.545 30.109 -11.504 1.00 14.15 N ATOM 923 CA ASP A 60 -0.706 29.111 -10.849 1.00 22.51 C ATOM 924 C ASP A 60 -0.989 29.064 -9.350 1.00 13.20 C ATOM 925 O ASP A 60 -1.101 30.101 -8.697 1.00 44.21 O ATOM 926 CB ASP A 60 0.772 29.417 -11.090 1.00 60.44 C ATOM 927 CG ASP A 60 1.082 29.653 -12.556 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.209 28.658 -13.304 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 1.198 30.829 -12.957 1.00 45.21 O ATOM 0 H ASP A 60 -1.079 30.998 -11.685 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.942 28.137 -11.278 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.056 30.298 -10.515 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.377 28.588 -10.722 1.00 60.44 H new ATOM 934 N ARG A 61 -1.106 27.853 -8.813 1.00 3.03 N ATOM 935 CA ARG A 61 -1.379 27.669 -7.393 1.00 14.00 C ATOM 936 C ARG A 61 -0.484 26.584 -6.804 1.00 1.23 C ATOM 937 O ARG A 61 0.113 25.791 -7.534 1.00 63.34 O ATOM 938 CB ARG A 61 -2.849 27.307 -7.177 1.00 5.22 C ATOM 939 CG ARG A 61 -3.819 28.275 -7.836 1.00 53.15 C ATOM 940 CD ARG A 61 -5.089 28.436 -7.016 1.00 54.13 C ATOM 941 NE ARG A 61 -6.061 27.384 -7.300 1.00 11.11 N ATOM 942 CZ ARG A 61 -6.876 27.401 -8.348 1.00 44.10 C ATOM 943 NH1 ARG A 61 -6.837 28.410 -9.207 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -7.734 26.406 -8.539 1.00 12.20 N ATOM 0 H ARG A 61 -1.016 26.985 -9.341 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.165 28.608 -6.883 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.028 26.305 -7.566 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.053 27.274 -6.107 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.339 29.246 -7.959 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.072 27.916 -8.834 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.840 28.422 -5.955 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.535 29.408 -7.226 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.117 26.593 -6.658 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.179 29.176 -9.064 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -7.465 28.420 -10.011 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.767 25.628 -7.880 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -8.360 26.420 -9.344 1.00 12.20 H new ATOM 958 N CYS A 62 -0.394 26.553 -5.478 1.00 42.04 N ATOM 959 CA CYS A 62 0.427 25.566 -4.789 1.00 0.35 C ATOM 960 C CYS A 62 -0.082 24.153 -5.056 1.00 41.03 C ATOM 961 O CYS A 62 -1.282 23.890 -4.980 1.00 41.35 O ATOM 962 CB CYS A 62 0.438 25.842 -3.285 1.00 62.15 C ATOM 963 SG CYS A 62 1.223 24.529 -2.294 1.00 73.51 S ATOM 0 H CYS A 62 -0.881 27.202 -4.859 1.00 42.04 H new ATOM 0 HA CYS A 62 1.444 25.644 -5.173 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.960 26.781 -3.103 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.588 25.976 -2.943 1.00 62.15 H new ATOM 968 N TYR A 63 0.839 23.248 -5.367 1.00 45.52 N ATOM 969 CA TYR A 63 0.483 21.860 -5.647 1.00 14.20 C ATOM 970 C TYR A 63 1.503 20.903 -5.037 1.00 21.05 C ATOM 971 O TYR A 63 2.666 21.260 -4.841 1.00 3.33 O ATOM 972 CB TYR A 63 0.390 21.632 -7.157 1.00 45.41 C ATOM 973 CG TYR A 63 1.735 21.578 -7.845 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.441 20.386 -7.944 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.300 22.721 -8.398 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.670 20.334 -8.572 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.527 22.677 -9.029 1.00 13.22 C ATOM 978 CZ TYR A 63 4.210 21.482 -9.113 1.00 70.24 C ATOM 979 OH TYR A 63 5.433 21.434 -9.740 1.00 43.32 O ATOM 0 H TYR A 63 1.837 23.449 -5.432 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.489 21.661 -5.196 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.142 20.699 -7.343 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.204 22.431 -7.601 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.022 19.484 -7.523 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.770 23.660 -8.333 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.206 19.399 -8.639 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.950 23.575 -9.455 1.00 13.22 H new ATOM 0 HH TYR A 63 5.669 22.328 -10.066 1.00 43.32 H new ATOM 989 N ILE A 64 1.059 19.686 -4.742 1.00 55.33 N ATOM 990 CA ILE A 64 1.933 18.676 -4.157 1.00 5.43 C ATOM 991 C ILE A 64 1.623 17.292 -4.716 1.00 12.54 C ATOM 992 O ILE A 64 0.479 16.839 -4.685 1.00 4.15 O ATOM 993 CB ILE A 64 1.801 18.640 -2.623 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.164 20.001 -2.025 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.687 17.547 -2.042 1.00 44.01 C ATOM 996 CD1 ILE A 64 1.981 20.069 -0.526 1.00 11.12 C ATOM 0 H ILE A 64 0.100 19.375 -4.898 1.00 55.33 H new ATOM 0 HA ILE A 64 2.955 18.950 -4.419 1.00 5.43 H new ATOM 0 HB ILE A 64 0.765 18.417 -2.367 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.202 20.230 -2.267 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.550 20.770 -2.493 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.584 17.533 -0.957 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.386 16.581 -2.448 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.726 17.743 -2.305 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.257 21.062 -0.170 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.938 19.871 -0.277 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.616 19.323 -0.048 1.00 11.12 H new ATOM 1008 N CYS A 65 2.652 16.622 -5.227 1.00 21.21 N ATOM 1009 CA CYS A 65 2.493 15.289 -5.792 1.00 73.21 C ATOM 1010 C CYS A 65 3.489 14.313 -5.172 1.00 10.41 C ATOM 1011 O CYS A 65 4.552 14.711 -4.700 1.00 53.41 O ATOM 1012 CB CYS A 65 2.678 15.331 -7.311 1.00 24.12 C ATOM 1013 SG CYS A 65 1.420 16.312 -8.186 1.00 3.43 S ATOM 0 H CYS A 65 3.606 16.983 -5.261 1.00 21.21 H new ATOM 0 HA CYS A 65 1.485 14.943 -5.566 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.663 15.740 -7.535 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.661 14.312 -7.697 1.00 24.12 H new ATOM 1018 N ASN A 66 3.137 13.032 -5.181 1.00 44.32 N ATOM 1019 CA ASN A 66 4.000 11.998 -4.620 1.00 53.41 C ATOM 1020 C ASN A 66 5.242 11.801 -5.482 1.00 40.54 C ATOM 1021 O ASN A 66 5.293 12.246 -6.628 1.00 42.44 O ATOM 1022 CB ASN A 66 3.235 10.677 -4.498 1.00 4.34 C ATOM 1023 CG ASN A 66 2.790 10.141 -5.844 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.754 10.871 -6.835 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.446 8.858 -5.884 1.00 12.22 N ATOM 0 H ASN A 66 2.261 12.685 -5.570 1.00 44.32 H new ATOM 0 HA ASN A 66 4.315 12.321 -3.628 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.868 9.938 -4.007 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.362 10.823 -3.861 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.136 8.440 -6.761 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.492 8.291 -5.037 1.00 12.22 H new ATOM 1032 N ASN A 67 6.244 11.129 -4.921 1.00 11.55 N ATOM 1033 CA ASN A 67 7.488 10.873 -5.638 1.00 15.23 C ATOM 1034 C ASN A 67 7.224 10.098 -6.926 1.00 64.24 C ATOM 1035 O ASN A 67 7.961 10.228 -7.903 1.00 61.44 O ATOM 1036 CB ASN A 67 8.461 10.093 -4.752 1.00 20.14 C ATOM 1037 CG ASN A 67 7.983 8.680 -4.472 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.335 7.741 -5.186 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.174 8.525 -3.429 1.00 24.13 N ATOM 0 H ASN A 67 6.218 10.753 -3.973 1.00 11.55 H new ATOM 0 HA ASN A 67 7.933 11.834 -5.897 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.437 10.054 -5.235 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.593 10.623 -3.809 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.819 7.599 -3.193 1.00 24.13 H new ATOM 0 HD22 ASN A 67 6.909 9.332 -2.865 1.00 24.13 H new ATOM 1046 N GLU A 68 6.166 9.294 -6.920 1.00 2.34 N ATOM 1047 CA GLU A 68 5.804 8.499 -8.088 1.00 64.21 C ATOM 1048 C GLU A 68 5.099 9.357 -9.134 1.00 23.15 C ATOM 1049 O GLU A 68 4.874 8.920 -10.264 1.00 62.10 O ATOM 1050 CB GLU A 68 4.903 7.332 -7.678 1.00 13.03 C ATOM 1051 CG GLU A 68 5.393 6.587 -6.448 1.00 32.42 C ATOM 1052 CD GLU A 68 4.717 5.241 -6.273 1.00 43.55 C ATOM 1053 OE1 GLU A 68 4.889 4.370 -7.152 1.00 63.23 O1- ATOM 1054 OE2 GLU A 68 4.015 5.058 -5.256 1.00 12.11 O ATOM 0 H GLU A 68 5.545 9.176 -6.120 1.00 2.34 H new ATOM 0 HA GLU A 68 6.721 8.105 -8.526 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.898 7.709 -7.487 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.828 6.632 -8.510 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.471 6.441 -6.522 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.214 7.197 -5.563 1.00 32.42 H new ATOM 1061 N LYS A 69 4.754 10.582 -8.751 1.00 71.44 N ATOM 1062 CA LYS A 69 4.074 11.503 -9.653 1.00 40.30 C ATOM 1063 C LYS A 69 2.808 10.873 -10.224 1.00 12.13 C ATOM 1064 O LYS A 69 2.382 11.203 -11.331 1.00 32.33 O ATOM 1065 CB LYS A 69 5.010 11.915 -10.792 1.00 41.01 C ATOM 1066 CG LYS A 69 5.972 13.028 -10.417 1.00 21.00 C ATOM 1067 CD LYS A 69 7.078 13.180 -11.448 1.00 71.15 C ATOM 1068 CE LYS A 69 8.133 14.178 -10.992 1.00 4.11 C ATOM 1069 NZ LYS A 69 9.172 14.402 -12.034 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.935 10.960 -7.821 1.00 71.44 H new ATOM 0 HA LYS A 69 3.791 12.388 -9.083 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.582 11.045 -11.113 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.412 12.236 -11.645 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.426 13.967 -10.327 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.410 12.819 -9.441 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.545 12.212 -11.627 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.651 13.508 -12.396 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.654 15.126 -10.747 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.606 13.815 -10.080 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.872 15.088 -11.685 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 9.647 13.502 -12.250 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.724 14.773 -12.896 1.00 61.00 H new ATOM 1083 N THR A 70 2.209 9.965 -9.459 1.00 30.31 N ATOM 1084 CA THR A 70 0.992 9.290 -9.888 1.00 22.31 C ATOM 1085 C THR A 70 -0.235 9.866 -9.188 1.00 43.33 C ATOM 1086 O THR A 70 -1.310 9.964 -9.778 1.00 43.31 O ATOM 1087 CB THR A 70 1.061 7.776 -9.611 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.080 7.537 -8.200 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.298 7.166 -10.251 1.00 43.40 C ATOM 0 H THR A 70 2.548 9.681 -8.540 1.00 30.31 H new ATOM 0 HA THR A 70 0.904 9.453 -10.962 1.00 22.31 H new ATOM 0 HB THR A 70 0.178 7.308 -10.046 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.122 6.572 -8.032 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.326 6.097 -10.042 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.266 7.325 -11.329 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.190 7.639 -9.841 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.063 10.248 -7.928 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.156 10.817 -7.145 1.00 63.21 C ATOM 1099 C LEU A 71 -0.855 12.262 -6.760 1.00 74.32 C ATOM 1100 O LEU A 71 0.235 12.574 -6.278 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.398 9.982 -5.887 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.824 9.994 -5.337 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.118 8.704 -4.587 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -3.039 11.200 -4.435 1.00 23.13 C ATOM 0 H LEU A 71 0.822 10.175 -7.426 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.056 10.804 -7.760 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.122 8.950 -6.102 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.726 10.336 -5.105 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.516 10.067 -6.176 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.138 8.731 -4.203 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.007 7.857 -5.263 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -2.420 8.599 -3.756 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -4.060 11.191 -4.053 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.339 11.160 -3.600 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.872 12.114 -5.004 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.828 13.141 -6.975 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.669 14.554 -6.649 1.00 32.24 C ATOM 1118 C CYS A 72 -2.904 15.088 -5.930 1.00 44.23 C ATOM 1119 O CYS A 72 -3.962 14.456 -5.932 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.415 15.366 -7.920 1.00 15.44 C ATOM 1121 SG CYS A 72 0.111 14.907 -8.804 1.00 43.01 S ATOM 0 H CYS A 72 -2.735 12.900 -7.374 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.811 14.654 -5.984 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.263 15.242 -8.593 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.367 16.423 -7.659 1.00 15.44 H new ATOM 1126 N THR A 73 -2.763 16.256 -5.311 1.00 61.13 N ATOM 1127 CA THR A 73 -3.864 16.876 -4.586 1.00 22.22 C ATOM 1128 C THR A 73 -5.114 16.964 -5.455 1.00 44.15 C ATOM 1129 O THR A 73 -5.029 17.205 -6.659 1.00 61.12 O ATOM 1130 CB THR A 73 -3.492 18.288 -4.098 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.486 18.851 -4.947 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.989 18.250 -2.662 1.00 55.11 C ATOM 0 H THR A 73 -1.895 16.792 -5.298 1.00 61.13 H new ATOM 0 HA THR A 73 -4.069 16.244 -3.722 1.00 22.22 H new ATOM 0 HB THR A 73 -4.387 18.909 -4.136 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.256 19.750 -4.631 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.732 19.259 -2.340 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.768 17.849 -2.014 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.105 17.615 -2.603 1.00 55.11 H new ATOM 1140 N SER A 74 -6.273 16.766 -4.838 1.00 30.10 N ATOM 1141 CA SER A 74 -7.542 16.820 -5.556 1.00 62.43 C ATOM 1142 C SER A 74 -7.682 18.138 -6.312 1.00 35.40 C ATOM 1143 O SER A 74 -7.161 19.169 -5.887 1.00 60.23 O ATOM 1144 CB SER A 74 -8.711 16.649 -4.584 1.00 23.42 C ATOM 1145 OG SER A 74 -9.920 17.123 -5.153 1.00 21.12 O ATOM 0 H SER A 74 -6.361 16.566 -3.842 1.00 30.10 H new ATOM 0 HA SER A 74 -7.558 16.003 -6.278 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.818 15.597 -4.320 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.503 17.190 -3.661 1.00 23.42 H new ATOM 0 HG SER A 74 -10.652 17.001 -4.513 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.390 18.095 -7.436 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.601 19.285 -8.252 1.00 11.13 C ATOM 1153 C VAL A 75 -9.443 20.317 -7.511 1.00 25.41 C ATOM 1154 O VAL A 75 -9.356 21.514 -7.783 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.289 18.937 -9.585 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.715 18.462 -9.342 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.271 20.133 -10.523 1.00 0.01 C ATOM 0 H VAL A 75 -8.827 17.249 -7.802 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.617 19.705 -8.459 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.736 18.126 -10.058 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.186 18.221 -10.295 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.700 17.574 -8.710 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.282 19.251 -8.847 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.761 19.868 -11.460 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.799 20.967 -10.060 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.240 20.423 -10.723 1.00 0.01 H new ATOM 1167 N MET A 76 -10.258 19.845 -6.574 1.00 43.31 N ATOM 1168 CA MET A 76 -11.115 20.729 -5.792 1.00 43.13 C ATOM 1169 C MET A 76 -10.964 20.453 -4.300 1.00 51.03 C ATOM 1170 O MET A 76 -11.854 20.759 -3.506 1.00 70.34 O ATOM 1171 CB MET A 76 -12.578 20.555 -6.209 1.00 71.42 C ATOM 1172 CG MET A 76 -13.087 19.130 -6.059 1.00 32.35 C ATOM 1173 SD MET A 76 -14.887 19.035 -6.043 1.00 71.52 S ATOM 1174 CE MET A 76 -15.200 18.255 -7.625 1.00 75.53 C ATOM 0 H MET A 76 -10.343 18.856 -6.338 1.00 43.31 H new ATOM 0 HA MET A 76 -10.808 21.757 -5.986 1.00 43.13 H new ATOM 0 HB2 MET A 76 -13.200 21.219 -5.609 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.691 20.865 -7.248 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.702 18.523 -6.878 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.696 18.704 -5.135 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.274 18.128 -7.762 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.804 18.882 -8.424 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.713 17.280 -7.653 1.00 75.53 H new TER 1184 MET A 76