USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 1 (180deg=-0.462) USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= 0.348 (180deg=-0.173) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0.00337 (180deg=-0.738) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.977 USER MOD Single : A 15 MET CE :methyl -179:sc= -1.33 (180deg=-1.35) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.153) USER MOD Single : A 31 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 41 ASN : amide:sc= 0.462 X(o=0.46,f=0.13) USER MOD Single : A 43 MET CE :methyl -149:sc= -0.024 (180deg=-0.179) USER MOD Single : A 44 ASN : amide:sc= -0.936 K(o=-0.94,f=-6.3!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0.691 (180deg=0.667) USER MOD Single : A 49 MET CE :methyl -132:sc= -0.773 (180deg=-3.5!) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 MET CE :methyl -178:sc= -5.88! (180deg=-5.92!) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00338 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.076 K(o=-0.076,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0221) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 77 SER OG : rot 60:sc= 0.385 USER MOD Single : A 79 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 82 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.43) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= -0.41 (180deg=-2.16!) USER MOD Single : A 87 SER OG : rot -30:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.208 11.388 1.294 1.00 73.34 N ATOM 2 CA MET A 1 6.068 12.786 0.847 1.00 30.13 C ATOM 3 C MET A 1 4.711 13.341 1.301 1.00 12.03 C ATOM 4 O MET A 1 4.652 14.302 2.078 1.00 64.02 O ATOM 5 CB MET A 1 6.254 12.894 -0.700 1.00 73.22 C ATOM 6 CG MET A 1 6.320 14.332 -1.249 1.00 4.43 C ATOM 7 SD MET A 1 4.719 15.181 -1.223 1.00 42.54 S ATOM 8 CE MET A 1 5.138 16.830 -1.780 1.00 22.43 C ATOM 0 H1 MET A 1 7.167 11.237 1.667 1.00 73.34 H new ATOM 0 H2 MET A 1 5.511 11.191 2.040 1.00 73.34 H new ATOM 0 H3 MET A 1 6.045 10.749 0.490 1.00 73.34 H new ATOM 0 HA MET A 1 6.851 13.391 1.304 1.00 30.13 H new ATOM 0 HB2 MET A 1 7.170 12.373 -0.978 1.00 73.22 H new ATOM 0 HB3 MET A 1 5.430 12.373 -1.187 1.00 73.22 H new ATOM 0 HG2 MET A 1 7.037 14.905 -0.662 1.00 4.43 H new ATOM 0 HG3 MET A 1 6.694 14.306 -2.273 1.00 4.43 H new ATOM 0 HE1 MET A 1 4.238 17.445 -1.806 1.00 22.43 H new ATOM 0 HE2 MET A 1 5.861 17.273 -1.095 1.00 22.43 H new ATOM 0 HE3 MET A 1 5.571 16.778 -2.779 1.00 22.43 H new ATOM 20 N ASP A 2 3.618 12.717 0.823 1.00 24.53 N ATOM 21 CA ASP A 2 2.240 13.203 1.055 1.00 71.11 C ATOM 22 C ASP A 2 1.266 12.028 1.234 1.00 11.13 C ATOM 23 O ASP A 2 1.078 11.551 2.351 1.00 72.44 O ATOM 24 CB ASP A 2 1.826 14.158 -0.118 1.00 1.35 C ATOM 25 CG ASP A 2 0.324 14.496 -0.171 1.00 1.41 C ATOM 26 OD1 ASP A 2 -0.174 15.170 0.751 1.00 51.32 O ATOM 27 OD2 ASP A 2 -0.365 14.041 -1.114 1.00 61.40 O ATOM 0 H ASP A 2 3.662 11.864 0.266 1.00 24.53 H new ATOM 0 HA ASP A 2 2.200 13.773 1.983 1.00 71.11 H new ATOM 0 HB2 ASP A 2 2.391 15.086 -0.030 1.00 1.35 H new ATOM 0 HB3 ASP A 2 2.115 13.698 -1.063 1.00 1.35 H new ATOM 32 N GLY A 3 0.694 11.534 0.132 1.00 0.24 N ATOM 33 CA GLY A 3 -0.376 10.563 0.173 1.00 33.31 C ATOM 34 C GLY A 3 -0.914 10.364 -1.210 1.00 1.22 C ATOM 35 O GLY A 3 -0.715 9.317 -1.799 1.00 12.10 O ATOM 0 H GLY A 3 0.969 11.805 -0.812 1.00 0.24 H new ATOM 0 HA2 GLY A 3 -0.010 9.618 0.573 1.00 33.31 H new ATOM 0 HA3 GLY A 3 -1.168 10.905 0.839 1.00 33.31 H new ATOM 39 N GLU A 4 -1.543 11.424 -1.757 1.00 3.52 N ATOM 40 CA GLU A 4 -2.000 11.463 -3.168 1.00 40.14 C ATOM 41 C GLU A 4 -0.821 11.234 -4.125 1.00 74.05 C ATOM 42 O GLU A 4 -0.913 10.453 -5.082 1.00 53.13 O ATOM 43 CB GLU A 4 -2.662 12.824 -3.463 1.00 44.53 C ATOM 44 CG GLU A 4 -3.979 13.052 -2.706 1.00 21.50 C ATOM 45 CD GLU A 4 -5.120 12.170 -3.220 1.00 14.23 C ATOM 46 OE1 GLU A 4 -5.602 12.426 -4.344 1.00 71.15 O ATOM 47 OE2 GLU A 4 -5.553 11.232 -2.521 1.00 42.14 O ATOM 0 H GLU A 4 -1.750 12.277 -1.237 1.00 3.52 H new ATOM 0 HA GLU A 4 -2.728 10.666 -3.322 1.00 40.14 H new ATOM 0 HB2 GLU A 4 -1.964 13.620 -3.205 1.00 44.53 H new ATOM 0 HB3 GLU A 4 -2.852 12.900 -4.534 1.00 44.53 H new ATOM 0 HG2 GLU A 4 -3.822 12.854 -1.646 1.00 21.50 H new ATOM 0 HG3 GLU A 4 -4.267 14.099 -2.795 1.00 21.50 H new ATOM 54 N GLU A 5 0.290 11.908 -3.807 1.00 52.33 N ATOM 55 CA GLU A 5 1.535 11.859 -4.591 1.00 13.44 C ATOM 56 C GLU A 5 2.153 10.450 -4.602 1.00 74.20 C ATOM 57 O GLU A 5 2.743 10.034 -5.604 1.00 64.21 O ATOM 58 CB GLU A 5 2.542 12.884 -4.023 1.00 44.34 C ATOM 59 CG GLU A 5 2.048 14.349 -4.048 1.00 75.33 C ATOM 60 CD GLU A 5 1.694 14.854 -5.459 1.00 42.41 C ATOM 61 OE1 GLU A 5 2.627 15.139 -6.243 1.00 10.01 O ATOM 62 OE2 GLU A 5 0.490 14.962 -5.794 1.00 11.21 O ATOM 0 H GLU A 5 0.353 12.512 -2.987 1.00 52.33 H new ATOM 0 HA GLU A 5 1.295 12.112 -5.624 1.00 13.44 H new ATOM 0 HB2 GLU A 5 2.778 12.611 -2.995 1.00 44.34 H new ATOM 0 HB3 GLU A 5 3.469 12.817 -4.592 1.00 44.34 H new ATOM 0 HG2 GLU A 5 1.170 14.439 -3.408 1.00 75.33 H new ATOM 0 HG3 GLU A 5 2.820 14.992 -3.624 1.00 75.33 H new ATOM 69 N VAL A 6 2.016 9.725 -3.479 1.00 21.31 N ATOM 70 CA VAL A 6 2.633 8.403 -3.317 1.00 1.20 C ATOM 71 C VAL A 6 1.744 7.287 -3.863 1.00 72.34 C ATOM 72 O VAL A 6 2.263 6.227 -4.188 1.00 0.20 O ATOM 73 CB VAL A 6 3.038 8.104 -1.826 1.00 61.34 C ATOM 74 CG1 VAL A 6 1.823 7.773 -0.929 1.00 33.51 C ATOM 75 CG2 VAL A 6 4.103 6.992 -1.749 1.00 13.25 C ATOM 0 H VAL A 6 1.481 10.036 -2.668 1.00 21.31 H new ATOM 0 HA VAL A 6 3.549 8.427 -3.907 1.00 1.20 H new ATOM 0 HB VAL A 6 3.473 9.024 -1.434 1.00 61.34 H new ATOM 0 HG11 VAL A 6 2.164 7.576 0.087 1.00 33.51 H new ATOM 0 HG12 VAL A 6 1.134 8.618 -0.923 1.00 33.51 H new ATOM 0 HG13 VAL A 6 1.313 6.892 -1.318 1.00 33.51 H new ATOM 0 HG21 VAL A 6 4.362 6.808 -0.706 1.00 13.25 H new ATOM 0 HG22 VAL A 6 3.707 6.078 -2.191 1.00 13.25 H new ATOM 0 HG23 VAL A 6 4.994 7.303 -2.295 1.00 13.25 H new ATOM 85 N LYS A 7 0.414 7.534 -3.955 1.00 55.40 N ATOM 86 CA LYS A 7 -0.586 6.511 -4.384 1.00 62.14 C ATOM 87 C LYS A 7 -0.140 5.707 -5.623 1.00 30.42 C ATOM 88 O LYS A 7 -0.136 4.470 -5.608 1.00 33.41 O ATOM 89 CB LYS A 7 -1.962 7.173 -4.671 1.00 41.03 C ATOM 90 CG LYS A 7 -2.684 7.738 -3.437 1.00 53.44 C ATOM 91 CD LYS A 7 -4.138 8.167 -3.726 1.00 70.34 C ATOM 92 CE LYS A 7 -4.288 8.995 -5.008 1.00 43.14 C ATOM 93 NZ LYS A 7 -5.674 9.493 -5.173 1.00 64.12 N ATOM 0 H LYS A 7 0.001 8.441 -3.736 1.00 55.40 H new ATOM 0 HA LYS A 7 -0.673 5.811 -3.553 1.00 62.14 H new ATOM 0 HB2 LYS A 7 -1.817 7.980 -5.389 1.00 41.03 H new ATOM 0 HB3 LYS A 7 -2.610 6.437 -5.146 1.00 41.03 H new ATOM 0 HG2 LYS A 7 -2.684 6.986 -2.648 1.00 53.44 H new ATOM 0 HG3 LYS A 7 -2.127 8.596 -3.059 1.00 53.44 H new ATOM 0 HD2 LYS A 7 -4.763 7.277 -3.803 1.00 70.34 H new ATOM 0 HD3 LYS A 7 -4.512 8.747 -2.882 1.00 70.34 H new ATOM 0 HE2 LYS A 7 -3.598 9.838 -4.981 1.00 43.14 H new ATOM 0 HE3 LYS A 7 -4.014 8.386 -5.870 1.00 43.14 H new ATOM 0 HZ1 LYS A 7 -6.065 9.140 -6.069 1.00 64.12 H new ATOM 0 HZ2 LYS A 7 -6.260 9.156 -4.383 1.00 64.12 H new ATOM 0 HZ3 LYS A 7 -5.670 10.533 -5.183 1.00 64.12 H new ATOM 107 N GLU A 8 0.234 6.427 -6.683 1.00 54.55 N ATOM 108 CA GLU A 8 0.727 5.819 -7.931 1.00 35.45 C ATOM 109 C GLU A 8 2.049 5.057 -7.703 1.00 33.11 C ATOM 110 O GLU A 8 2.240 3.991 -8.271 1.00 11.21 O ATOM 111 CB GLU A 8 0.898 6.894 -9.024 1.00 44.41 C ATOM 112 CG GLU A 8 1.800 8.085 -8.619 1.00 72.22 C ATOM 113 CD GLU A 8 2.062 9.062 -9.773 1.00 53.14 C ATOM 114 OE1 GLU A 8 1.103 9.717 -10.237 1.00 11.55 O ATOM 115 OE2 GLU A 8 3.214 9.150 -10.258 1.00 62.44 O ATOM 0 H GLU A 8 0.206 7.446 -6.705 1.00 54.55 H new ATOM 0 HA GLU A 8 -0.016 5.096 -8.267 1.00 35.45 H new ATOM 0 HB2 GLU A 8 1.316 6.425 -9.915 1.00 44.41 H new ATOM 0 HB3 GLU A 8 -0.086 7.276 -9.297 1.00 44.41 H new ATOM 0 HG2 GLU A 8 1.332 8.623 -7.794 1.00 72.22 H new ATOM 0 HG3 GLU A 8 2.752 7.703 -8.251 1.00 72.22 H new ATOM 122 N LYS A 9 2.923 5.598 -6.833 1.00 4.33 N ATOM 123 CA LYS A 9 4.229 4.978 -6.513 1.00 15.04 C ATOM 124 C LYS A 9 4.059 3.720 -5.647 1.00 51.43 C ATOM 125 O LYS A 9 4.947 2.879 -5.623 1.00 41.24 O ATOM 126 CB LYS A 9 5.161 5.987 -5.800 1.00 34.44 C ATOM 127 CG LYS A 9 5.460 7.279 -6.588 1.00 42.21 C ATOM 128 CD LYS A 9 6.523 8.163 -5.887 1.00 63.53 C ATOM 129 CE LYS A 9 6.161 8.505 -4.429 1.00 65.34 C ATOM 130 NZ LYS A 9 7.199 9.321 -3.750 1.00 44.23 N ATOM 0 H LYS A 9 2.749 6.470 -6.334 1.00 4.33 H new ATOM 0 HA LYS A 9 4.686 4.683 -7.458 1.00 15.04 H new ATOM 0 HB2 LYS A 9 4.712 6.259 -4.845 1.00 34.44 H new ATOM 0 HB3 LYS A 9 6.105 5.490 -5.578 1.00 34.44 H new ATOM 0 HG2 LYS A 9 5.808 7.020 -7.588 1.00 42.21 H new ATOM 0 HG3 LYS A 9 4.539 7.849 -6.709 1.00 42.21 H new ATOM 0 HD2 LYS A 9 7.484 7.648 -5.905 1.00 63.53 H new ATOM 0 HD3 LYS A 9 6.646 9.088 -6.451 1.00 63.53 H new ATOM 0 HE2 LYS A 9 5.214 9.045 -4.412 1.00 65.34 H new ATOM 0 HE3 LYS A 9 6.011 7.581 -3.871 1.00 65.34 H new ATOM 0 HZ1 LYS A 9 6.763 9.865 -2.978 1.00 44.23 H new ATOM 0 HZ2 LYS A 9 7.933 8.695 -3.361 1.00 44.23 H new ATOM 0 HZ3 LYS A 9 7.629 9.975 -4.435 1.00 44.23 H new ATOM 144 N ILE A 10 2.918 3.608 -4.938 1.00 62.23 N ATOM 145 CA ILE A 10 2.575 2.398 -4.163 1.00 24.33 C ATOM 146 C ILE A 10 2.199 1.286 -5.141 1.00 63.42 C ATOM 147 O ILE A 10 2.646 0.148 -5.000 1.00 63.01 O ATOM 148 CB ILE A 10 1.389 2.644 -3.156 1.00 74.32 C ATOM 149 CG1 ILE A 10 1.711 3.797 -2.163 1.00 54.02 C ATOM 150 CG2 ILE A 10 1.028 1.356 -2.379 1.00 12.30 C ATOM 151 CD1 ILE A 10 2.945 3.563 -1.302 1.00 62.43 C ATOM 0 H ILE A 10 2.215 4.345 -4.886 1.00 62.23 H new ATOM 0 HA ILE A 10 3.444 2.118 -3.568 1.00 24.33 H new ATOM 0 HB ILE A 10 0.525 2.938 -3.752 1.00 74.32 H new ATOM 0 HG12 ILE A 10 1.848 4.719 -2.728 1.00 54.02 H new ATOM 0 HG13 ILE A 10 0.851 3.948 -1.510 1.00 54.02 H new ATOM 0 HG21 ILE A 10 0.206 1.563 -1.694 1.00 12.30 H new ATOM 0 HG22 ILE A 10 0.728 0.579 -3.082 1.00 12.30 H new ATOM 0 HG23 ILE A 10 1.896 1.017 -1.813 1.00 12.30 H new ATOM 0 HD11 ILE A 10 3.094 4.416 -0.640 1.00 62.43 H new ATOM 0 HD12 ILE A 10 2.807 2.661 -0.706 1.00 62.43 H new ATOM 0 HD13 ILE A 10 3.819 3.444 -1.943 1.00 62.43 H new ATOM 163 N ARG A 11 1.397 1.658 -6.155 1.00 12.24 N ATOM 164 CA ARG A 11 0.983 0.741 -7.229 1.00 62.45 C ATOM 165 C ARG A 11 2.183 0.258 -8.026 1.00 5.20 C ATOM 166 O ARG A 11 2.312 -0.949 -8.284 1.00 41.01 O ATOM 167 CB ARG A 11 -0.050 1.403 -8.171 1.00 50.13 C ATOM 168 CG ARG A 11 -1.409 1.742 -7.540 1.00 55.32 C ATOM 169 CD ARG A 11 -2.115 0.530 -6.890 1.00 44.40 C ATOM 170 NE ARG A 11 -1.594 0.234 -5.534 1.00 21.24 N ATOM 171 CZ ARG A 11 -1.131 -0.951 -5.105 1.00 23.10 C ATOM 172 NH1 ARG A 11 -1.102 -1.998 -5.916 1.00 45.44 N ATOM 173 NH2 ARG A 11 -0.662 -1.070 -3.873 1.00 41.31 N ATOM 0 H ARG A 11 1.019 2.601 -6.252 1.00 12.24 H new ATOM 0 HA ARG A 11 0.510 -0.119 -6.755 1.00 62.45 H new ATOM 0 HB2 ARG A 11 0.384 2.321 -8.568 1.00 50.13 H new ATOM 0 HB3 ARG A 11 -0.220 0.738 -9.018 1.00 50.13 H new ATOM 0 HG2 ARG A 11 -1.266 2.515 -6.785 1.00 55.32 H new ATOM 0 HG3 ARG A 11 -2.060 2.162 -8.307 1.00 55.32 H new ATOM 0 HD2 ARG A 11 -3.186 0.725 -6.830 1.00 44.40 H new ATOM 0 HD3 ARG A 11 -1.986 -0.346 -7.525 1.00 44.40 H new ATOM 0 HE ARG A 11 -1.587 1.003 -4.864 1.00 21.24 H new ATOM 0 HH11 ARG A 11 -1.433 -1.908 -6.877 1.00 45.44 H new ATOM 0 HH12 ARG A 11 -0.748 -2.894 -5.580 1.00 45.44 H new ATOM 0 HH21 ARG A 11 -0.653 -0.262 -3.251 1.00 41.31 H new ATOM 0 HH22 ARG A 11 -0.310 -1.970 -3.546 1.00 41.31 H new ATOM 187 N ARG A 12 3.054 1.207 -8.391 1.00 14.40 N ATOM 188 CA ARG A 12 4.261 0.923 -9.163 1.00 51.30 C ATOM 189 C ARG A 12 5.176 0.005 -8.400 1.00 11.33 C ATOM 190 O ARG A 12 5.526 -1.028 -8.911 1.00 5.01 O ATOM 191 CB ARG A 12 5.026 2.216 -9.555 1.00 3.01 C ATOM 192 CG ARG A 12 4.301 3.107 -10.583 1.00 35.50 C ATOM 193 CD ARG A 12 3.661 2.312 -11.734 1.00 14.21 C ATOM 194 NE ARG A 12 4.621 1.432 -12.430 1.00 41.22 N ATOM 195 CZ ARG A 12 4.403 0.824 -13.601 1.00 34.30 C ATOM 196 NH1 ARG A 12 3.260 0.984 -14.254 1.00 54.50 N ATOM 197 NH2 ARG A 12 5.332 0.032 -14.097 1.00 72.34 N ATOM 0 H ARG A 12 2.938 2.193 -8.157 1.00 14.40 H new ATOM 0 HA ARG A 12 3.939 0.434 -10.082 1.00 51.30 H new ATOM 0 HB2 ARG A 12 5.210 2.801 -8.654 1.00 3.01 H new ATOM 0 HB3 ARG A 12 6.000 1.938 -9.958 1.00 3.01 H new ATOM 0 HG2 ARG A 12 3.527 3.682 -10.074 1.00 35.50 H new ATOM 0 HG3 ARG A 12 5.010 3.824 -10.996 1.00 35.50 H new ATOM 0 HD2 ARG A 12 2.843 1.709 -11.341 1.00 14.21 H new ATOM 0 HD3 ARG A 12 3.228 3.008 -12.452 1.00 14.21 H new ATOM 0 HE ARG A 12 5.523 1.275 -11.981 1.00 41.22 H new ATOM 0 HH11 ARG A 12 2.529 1.579 -13.864 1.00 54.50 H new ATOM 0 HH12 ARG A 12 3.112 0.512 -15.146 1.00 54.50 H new ATOM 0 HH21 ARG A 12 6.205 -0.111 -13.589 1.00 72.34 H new ATOM 0 HH22 ARG A 12 5.178 -0.438 -14.989 1.00 72.34 H new ATOM 211 N TYR A 13 5.493 0.390 -7.164 1.00 23.15 N ATOM 212 CA TYR A 13 6.424 -0.339 -6.270 1.00 42.34 C ATOM 213 C TYR A 13 6.106 -1.847 -6.189 1.00 24.04 C ATOM 214 O TYR A 13 7.019 -2.672 -6.167 1.00 11.44 O ATOM 215 CB TYR A 13 6.400 0.300 -4.864 1.00 74.42 C ATOM 216 CG TYR A 13 7.247 -0.437 -3.814 1.00 71.43 C ATOM 217 CD1 TYR A 13 8.635 -0.548 -3.965 1.00 51.23 C ATOM 218 CD2 TYR A 13 6.662 -1.038 -2.700 1.00 43.21 C ATOM 219 CE1 TYR A 13 9.395 -1.223 -3.046 1.00 24.04 C ATOM 220 CE2 TYR A 13 7.427 -1.711 -1.780 1.00 63.11 C ATOM 221 CZ TYR A 13 8.792 -1.800 -1.959 1.00 13.40 C ATOM 222 OH TYR A 13 9.560 -2.489 -1.064 1.00 51.41 O ATOM 0 H TYR A 13 5.108 1.233 -6.737 1.00 23.15 H new ATOM 0 HA TYR A 13 7.425 -0.255 -6.694 1.00 42.34 H new ATOM 0 HB2 TYR A 13 6.753 1.328 -4.940 1.00 74.42 H new ATOM 0 HB3 TYR A 13 5.368 0.342 -4.515 1.00 74.42 H new ATOM 0 HD1 TYR A 13 9.114 -0.094 -4.820 1.00 51.23 H new ATOM 0 HD2 TYR A 13 5.593 -0.973 -2.559 1.00 43.21 H new ATOM 0 HE1 TYR A 13 10.464 -1.300 -3.178 1.00 24.04 H new ATOM 0 HE2 TYR A 13 6.962 -2.169 -0.919 1.00 63.11 H new ATOM 0 HH TYR A 13 9.361 -2.179 -0.156 1.00 51.41 H new ATOM 232 N ILE A 14 4.804 -2.172 -6.161 1.00 62.32 N ATOM 233 CA ILE A 14 4.323 -3.560 -6.209 1.00 21.32 C ATOM 234 C ILE A 14 4.870 -4.251 -7.474 1.00 31.24 C ATOM 235 O ILE A 14 5.552 -5.256 -7.388 1.00 51.35 O ATOM 236 CB ILE A 14 2.752 -3.615 -6.161 1.00 2.44 C ATOM 237 CG1 ILE A 14 2.211 -2.993 -4.837 1.00 35.10 C ATOM 238 CG2 ILE A 14 2.229 -5.059 -6.330 1.00 11.24 C ATOM 239 CD1 ILE A 14 2.599 -3.758 -3.586 1.00 24.15 C ATOM 0 H ILE A 14 4.057 -1.480 -6.105 1.00 62.32 H new ATOM 0 HA ILE A 14 4.690 -4.094 -5.332 1.00 21.32 H new ATOM 0 HB ILE A 14 2.382 -3.024 -6.998 1.00 2.44 H new ATOM 0 HG12 ILE A 14 2.579 -1.970 -4.753 1.00 35.10 H new ATOM 0 HG13 ILE A 14 1.124 -2.937 -4.893 1.00 35.10 H new ATOM 0 HG21 ILE A 14 1.140 -5.058 -6.292 1.00 11.24 H new ATOM 0 HG22 ILE A 14 2.558 -5.455 -7.291 1.00 11.24 H new ATOM 0 HG23 ILE A 14 2.620 -5.684 -5.527 1.00 11.24 H new ATOM 0 HD11 ILE A 14 2.183 -3.259 -2.711 1.00 24.15 H new ATOM 0 HD12 ILE A 14 2.208 -4.774 -3.645 1.00 24.15 H new ATOM 0 HD13 ILE A 14 3.685 -3.792 -3.502 1.00 24.15 H new ATOM 251 N MET A 15 4.620 -3.637 -8.625 1.00 64.23 N ATOM 252 CA MET A 15 5.086 -4.136 -9.931 1.00 62.21 C ATOM 253 C MET A 15 6.624 -4.119 -10.070 1.00 4.51 C ATOM 254 O MET A 15 7.196 -5.101 -10.545 1.00 0.23 O ATOM 255 CB MET A 15 4.423 -3.306 -11.054 1.00 3.31 C ATOM 256 CG MET A 15 2.971 -3.688 -11.267 1.00 45.31 C ATOM 257 SD MET A 15 2.830 -5.449 -11.623 1.00 41.42 S ATOM 258 CE MET A 15 1.075 -5.686 -11.558 1.00 5.03 C ATOM 0 H MET A 15 4.084 -2.771 -8.688 1.00 64.23 H new ATOM 0 HA MET A 15 4.790 -5.182 -10.013 1.00 62.21 H new ATOM 0 HB2 MET A 15 4.486 -2.246 -10.806 1.00 3.31 H new ATOM 0 HB3 MET A 15 4.975 -3.449 -11.983 1.00 3.31 H new ATOM 0 HG2 MET A 15 2.390 -3.443 -10.378 1.00 45.31 H new ATOM 0 HG3 MET A 15 2.553 -3.109 -12.091 1.00 45.31 H new ATOM 0 HE1 MET A 15 0.842 -6.735 -11.742 1.00 5.03 H new ATOM 0 HE2 MET A 15 0.705 -5.400 -10.573 1.00 5.03 H new ATOM 0 HE3 MET A 15 0.596 -5.069 -12.319 1.00 5.03 H new ATOM 268 N GLU A 16 7.282 -3.032 -9.603 1.00 44.34 N ATOM 269 CA GLU A 16 8.728 -2.818 -9.827 1.00 4.24 C ATOM 270 C GLU A 16 9.538 -3.858 -9.046 1.00 73.22 C ATOM 271 O GLU A 16 10.367 -4.570 -9.607 1.00 32.24 O ATOM 272 CB GLU A 16 9.200 -1.393 -9.405 1.00 14.21 C ATOM 273 CG GLU A 16 8.387 -0.200 -9.950 1.00 65.52 C ATOM 274 CD GLU A 16 8.044 -0.274 -11.448 1.00 72.01 C ATOM 275 OE1 GLU A 16 8.922 0.026 -12.286 1.00 51.14 O ATOM 276 OE2 GLU A 16 6.891 -0.609 -11.794 1.00 74.33 O ATOM 0 H GLU A 16 6.832 -2.289 -9.068 1.00 44.34 H new ATOM 0 HA GLU A 16 8.896 -2.922 -10.899 1.00 4.24 H new ATOM 0 HB2 GLU A 16 9.191 -1.341 -8.316 1.00 14.21 H new ATOM 0 HB3 GLU A 16 10.236 -1.271 -9.721 1.00 14.21 H new ATOM 0 HG2 GLU A 16 7.459 -0.124 -9.384 1.00 65.52 H new ATOM 0 HG3 GLU A 16 8.948 0.716 -9.766 1.00 65.52 H new ATOM 283 N ASP A 17 9.243 -3.932 -7.747 1.00 45.14 N ATOM 284 CA ASP A 17 10.035 -4.695 -6.762 1.00 14.43 C ATOM 285 C ASP A 17 9.389 -6.049 -6.452 1.00 24.32 C ATOM 286 O ASP A 17 10.048 -7.087 -6.573 1.00 35.05 O ATOM 287 CB ASP A 17 10.180 -3.835 -5.474 1.00 35.34 C ATOM 288 CG ASP A 17 10.859 -4.551 -4.295 1.00 61.43 C ATOM 289 OD1 ASP A 17 12.077 -4.827 -4.380 1.00 14.30 O ATOM 290 OD2 ASP A 17 10.197 -4.802 -3.268 1.00 3.03 O ATOM 0 H ASP A 17 8.437 -3.459 -7.337 1.00 45.14 H new ATOM 0 HA ASP A 17 11.021 -4.907 -7.176 1.00 14.43 H new ATOM 0 HB2 ASP A 17 10.752 -2.939 -5.715 1.00 35.34 H new ATOM 0 HB3 ASP A 17 9.189 -3.506 -5.160 1.00 35.34 H new ATOM 295 N LEU A 18 8.103 -6.032 -6.074 1.00 30.04 N ATOM 296 CA LEU A 18 7.405 -7.237 -5.567 1.00 43.44 C ATOM 297 C LEU A 18 7.130 -8.264 -6.675 1.00 23.32 C ATOM 298 O LEU A 18 7.231 -9.469 -6.427 1.00 52.02 O ATOM 299 CB LEU A 18 6.106 -6.864 -4.802 1.00 74.21 C ATOM 300 CG LEU A 18 6.307 -6.175 -3.411 1.00 62.22 C ATOM 301 CD1 LEU A 18 7.261 -6.995 -2.506 1.00 24.40 C ATOM 302 CD2 LEU A 18 6.777 -4.707 -3.532 1.00 2.23 C ATOM 0 H LEU A 18 7.518 -5.197 -6.108 1.00 30.04 H new ATOM 0 HA LEU A 18 8.081 -7.714 -4.858 1.00 43.44 H new ATOM 0 HB2 LEU A 18 5.514 -6.201 -5.432 1.00 74.21 H new ATOM 0 HB3 LEU A 18 5.520 -7.771 -4.655 1.00 74.21 H new ATOM 0 HG LEU A 18 5.326 -6.150 -2.936 1.00 62.22 H new ATOM 0 HD11 LEU A 18 7.379 -6.488 -1.548 1.00 24.40 H new ATOM 0 HD12 LEU A 18 6.843 -7.988 -2.342 1.00 24.40 H new ATOM 0 HD13 LEU A 18 8.233 -7.086 -2.990 1.00 24.40 H new ATOM 0 HD21 LEU A 18 6.899 -4.281 -2.536 1.00 2.23 H new ATOM 0 HD22 LEU A 18 7.729 -4.672 -4.061 1.00 2.23 H new ATOM 0 HD23 LEU A 18 6.034 -4.131 -4.084 1.00 2.23 H new ATOM 314 N ILE A 19 6.778 -7.790 -7.881 1.00 2.22 N ATOM 315 CA ILE A 19 6.594 -8.656 -9.066 1.00 23.13 C ATOM 316 C ILE A 19 7.927 -8.773 -9.822 1.00 63.42 C ATOM 317 O ILE A 19 8.356 -9.876 -10.183 1.00 4.01 O ATOM 318 CB ILE A 19 5.454 -8.127 -10.045 1.00 44.02 C ATOM 319 CG1 ILE A 19 4.016 -8.350 -9.468 1.00 31.41 C ATOM 320 CG2 ILE A 19 5.551 -8.787 -11.445 1.00 61.50 C ATOM 321 CD1 ILE A 19 3.724 -7.727 -8.121 1.00 41.32 C ATOM 0 H ILE A 19 6.613 -6.801 -8.066 1.00 2.22 H new ATOM 0 HA ILE A 19 6.273 -9.635 -8.711 1.00 23.13 H new ATOM 0 HB ILE A 19 5.621 -7.054 -10.141 1.00 44.02 H new ATOM 0 HG12 ILE A 19 3.296 -7.960 -10.187 1.00 31.41 H new ATOM 0 HG13 ILE A 19 3.842 -9.423 -9.392 1.00 31.41 H new ATOM 0 HG21 ILE A 19 4.757 -8.401 -12.085 1.00 61.50 H new ATOM 0 HG22 ILE A 19 6.519 -8.557 -11.889 1.00 61.50 H new ATOM 0 HG23 ILE A 19 5.445 -9.867 -11.346 1.00 61.50 H new ATOM 0 HD11 ILE A 19 2.698 -7.952 -7.831 1.00 41.32 H new ATOM 0 HD12 ILE A 19 4.409 -8.133 -7.376 1.00 41.32 H new ATOM 0 HD13 ILE A 19 3.855 -6.647 -8.184 1.00 41.32 H new ATOM 333 N GLY A 20 8.581 -7.622 -10.027 1.00 4.14 N ATOM 334 CA GLY A 20 9.797 -7.530 -10.844 1.00 64.32 C ATOM 335 C GLY A 20 9.504 -7.004 -12.256 1.00 14.33 C ATOM 336 O GLY A 20 8.362 -6.617 -12.540 1.00 65.24 O ATOM 0 H GLY A 20 8.282 -6.730 -9.632 1.00 4.14 H new ATOM 0 HA2 GLY A 20 10.514 -6.872 -10.354 1.00 64.32 H new ATOM 0 HA3 GLY A 20 10.262 -8.513 -10.913 1.00 64.32 H new ATOM 340 N PRO A 21 10.502 -7.031 -13.194 1.00 21.52 N ATOM 341 CA PRO A 21 10.328 -6.528 -14.593 1.00 1.04 C ATOM 342 C PRO A 21 9.382 -7.409 -15.459 1.00 10.05 C ATOM 343 O PRO A 21 9.177 -7.137 -16.648 1.00 2.31 O ATOM 344 CB PRO A 21 11.778 -6.522 -15.138 1.00 11.43 C ATOM 345 CG PRO A 21 12.478 -7.592 -14.363 1.00 72.45 C ATOM 346 CD PRO A 21 11.879 -7.554 -12.971 1.00 10.40 C ATOM 0 HA PRO A 21 9.845 -5.551 -14.622 1.00 1.04 H new ATOM 0 HB2 PRO A 21 11.800 -6.729 -16.208 1.00 11.43 H new ATOM 0 HB3 PRO A 21 12.252 -5.552 -14.991 1.00 11.43 H new ATOM 0 HG2 PRO A 21 12.332 -8.568 -14.825 1.00 72.45 H new ATOM 0 HG3 PRO A 21 13.553 -7.412 -14.331 1.00 72.45 H new ATOM 0 HD2 PRO A 21 11.863 -8.544 -12.515 1.00 10.40 H new ATOM 0 HD3 PRO A 21 12.451 -6.906 -12.306 1.00 10.40 H new ATOM 354 N SER A 22 8.801 -8.452 -14.841 1.00 34.24 N ATOM 355 CA SER A 22 7.727 -9.274 -15.429 1.00 32.03 C ATOM 356 C SER A 22 6.331 -8.654 -15.155 1.00 45.44 C ATOM 357 O SER A 22 5.300 -9.326 -15.332 1.00 61.25 O ATOM 358 CB SER A 22 7.811 -10.692 -14.824 1.00 25.31 C ATOM 359 OG SER A 22 9.079 -11.265 -15.053 1.00 34.25 O ATOM 0 H SER A 22 9.068 -8.753 -13.904 1.00 34.24 H new ATOM 0 HA SER A 22 7.858 -9.317 -16.510 1.00 32.03 H new ATOM 0 HB2 SER A 22 7.617 -10.646 -13.752 1.00 25.31 H new ATOM 0 HB3 SER A 22 7.038 -11.324 -15.261 1.00 25.31 H new ATOM 0 HG SER A 22 9.109 -12.162 -14.659 1.00 34.25 H new ATOM 365 N ALA A 23 6.319 -7.367 -14.738 1.00 74.11 N ATOM 366 CA ALA A 23 5.110 -6.648 -14.312 1.00 42.32 C ATOM 367 C ALA A 23 4.072 -6.516 -15.425 1.00 52.23 C ATOM 368 O ALA A 23 4.386 -6.120 -16.554 1.00 50.34 O ATOM 369 CB ALA A 23 5.479 -5.269 -13.782 1.00 23.11 C ATOM 0 H ALA A 23 7.163 -6.797 -14.690 1.00 74.11 H new ATOM 0 HA ALA A 23 4.655 -7.242 -13.520 1.00 42.32 H new ATOM 0 HB1 ALA A 23 4.575 -4.746 -13.469 1.00 23.11 H new ATOM 0 HB2 ALA A 23 6.150 -5.374 -12.930 1.00 23.11 H new ATOM 0 HB3 ALA A 23 5.976 -4.698 -14.567 1.00 23.11 H new ATOM 375 N LYS A 24 2.839 -6.879 -15.072 1.00 63.10 N ATOM 376 CA LYS A 24 1.652 -6.672 -15.886 1.00 73.21 C ATOM 377 C LYS A 24 0.858 -5.514 -15.284 1.00 32.45 C ATOM 378 O LYS A 24 -0.084 -5.730 -14.514 1.00 70.20 O ATOM 379 CB LYS A 24 0.812 -7.961 -15.941 1.00 20.43 C ATOM 380 CG LYS A 24 1.512 -9.131 -16.646 1.00 32.10 C ATOM 381 CD LYS A 24 0.715 -10.443 -16.569 1.00 74.13 C ATOM 382 CE LYS A 24 1.353 -11.550 -17.414 1.00 62.54 C ATOM 383 NZ LYS A 24 1.279 -11.251 -18.867 1.00 64.21 N ATOM 0 H LYS A 24 2.638 -7.339 -14.184 1.00 63.10 H new ATOM 0 HA LYS A 24 1.930 -6.425 -16.911 1.00 73.21 H new ATOM 0 HB2 LYS A 24 0.559 -8.261 -14.924 1.00 20.43 H new ATOM 0 HB3 LYS A 24 -0.126 -7.750 -16.454 1.00 20.43 H new ATOM 0 HG2 LYS A 24 1.675 -8.872 -17.692 1.00 32.10 H new ATOM 0 HG3 LYS A 24 2.494 -9.282 -16.198 1.00 32.10 H new ATOM 0 HD2 LYS A 24 0.652 -10.769 -15.531 1.00 74.13 H new ATOM 0 HD3 LYS A 24 -0.305 -10.268 -16.910 1.00 74.13 H new ATOM 0 HE2 LYS A 24 2.396 -11.674 -17.122 1.00 62.54 H new ATOM 0 HE3 LYS A 24 0.850 -12.496 -17.212 1.00 62.54 H new ATOM 0 HZ1 LYS A 24 1.532 -12.101 -19.410 1.00 64.21 H new ATOM 0 HZ2 LYS A 24 0.312 -10.958 -19.112 1.00 64.21 H new ATOM 0 HZ3 LYS A 24 1.942 -10.484 -19.098 1.00 64.21 H new ATOM 397 N GLU A 25 1.284 -4.277 -15.599 1.00 24.11 N ATOM 398 CA GLU A 25 0.629 -3.040 -15.099 1.00 70.31 C ATOM 399 C GLU A 25 -0.843 -2.953 -15.541 1.00 23.13 C ATOM 400 O GLU A 25 -1.640 -2.245 -14.928 1.00 43.25 O ATOM 401 CB GLU A 25 1.379 -1.778 -15.582 1.00 21.00 C ATOM 402 CG GLU A 25 1.526 -1.668 -17.114 1.00 74.24 C ATOM 403 CD GLU A 25 1.987 -0.285 -17.599 1.00 51.13 C ATOM 404 OE1 GLU A 25 2.946 0.274 -17.027 1.00 1.43 O ATOM 405 OE2 GLU A 25 1.402 0.247 -18.569 1.00 20.34 O ATOM 0 H GLU A 25 2.087 -4.100 -16.203 1.00 24.11 H new ATOM 0 HA GLU A 25 0.664 -3.088 -14.011 1.00 70.31 H new ATOM 0 HB2 GLU A 25 0.853 -0.896 -15.216 1.00 21.00 H new ATOM 0 HB3 GLU A 25 2.372 -1.767 -15.133 1.00 21.00 H new ATOM 0 HG2 GLU A 25 2.240 -2.418 -17.455 1.00 74.24 H new ATOM 0 HG3 GLU A 25 0.569 -1.904 -17.579 1.00 74.24 H new ATOM 412 N ASP A 26 -1.175 -3.676 -16.618 1.00 50.22 N ATOM 413 CA ASP A 26 -2.537 -3.749 -17.151 1.00 2.53 C ATOM 414 C ASP A 26 -3.476 -4.473 -16.159 1.00 52.21 C ATOM 415 O ASP A 26 -4.647 -4.122 -16.017 1.00 44.44 O ATOM 416 CB ASP A 26 -2.510 -4.453 -18.536 1.00 13.42 C ATOM 417 CG ASP A 26 -3.879 -4.499 -19.236 1.00 44.50 C ATOM 418 OD1 ASP A 26 -4.477 -3.426 -19.459 1.00 70.13 O ATOM 419 OD2 ASP A 26 -4.368 -5.599 -19.555 1.00 34.54 O ATOM 0 H ASP A 26 -0.500 -4.230 -17.146 1.00 50.22 H new ATOM 0 HA ASP A 26 -2.930 -2.741 -17.283 1.00 2.53 H new ATOM 0 HB2 ASP A 26 -1.799 -3.937 -19.182 1.00 13.42 H new ATOM 0 HB3 ASP A 26 -2.143 -5.471 -18.408 1.00 13.42 H new ATOM 424 N GLU A 27 -2.913 -5.468 -15.447 1.00 33.14 N ATOM 425 CA GLU A 27 -3.611 -6.213 -14.377 1.00 13.31 C ATOM 426 C GLU A 27 -3.731 -5.352 -13.089 1.00 44.52 C ATOM 427 O GLU A 27 -4.547 -5.638 -12.207 1.00 23.13 O ATOM 428 CB GLU A 27 -2.847 -7.530 -14.074 1.00 51.31 C ATOM 429 CG GLU A 27 -2.644 -8.473 -15.276 1.00 60.31 C ATOM 430 CD GLU A 27 -3.945 -9.041 -15.867 1.00 20.15 C ATOM 431 OE1 GLU A 27 -4.393 -10.120 -15.416 1.00 52.10 O ATOM 432 OE2 GLU A 27 -4.517 -8.428 -16.796 1.00 13.04 O ATOM 0 H GLU A 27 -1.954 -5.781 -15.598 1.00 33.14 H new ATOM 0 HA GLU A 27 -4.618 -6.451 -14.718 1.00 13.31 H new ATOM 0 HB2 GLU A 27 -1.869 -7.276 -13.665 1.00 51.31 H new ATOM 0 HB3 GLU A 27 -3.387 -8.072 -13.297 1.00 51.31 H new ATOM 0 HG2 GLU A 27 -2.109 -7.934 -16.058 1.00 60.31 H new ATOM 0 HG3 GLU A 27 -2.007 -9.302 -14.968 1.00 60.31 H new ATOM 439 N LEU A 28 -2.888 -4.312 -13.012 1.00 71.41 N ATOM 440 CA LEU A 28 -2.807 -3.385 -11.874 1.00 74.11 C ATOM 441 C LEU A 28 -3.767 -2.186 -12.051 1.00 64.55 C ATOM 442 O LEU A 28 -3.952 -1.698 -13.164 1.00 55.55 O ATOM 443 CB LEU A 28 -1.355 -2.870 -11.780 1.00 55.14 C ATOM 444 CG LEU A 28 -1.045 -1.833 -10.666 1.00 75.11 C ATOM 445 CD1 LEU A 28 -1.088 -2.472 -9.263 1.00 11.32 C ATOM 446 CD2 LEU A 28 0.301 -1.141 -10.935 1.00 0.55 C ATOM 0 H LEU A 28 -2.228 -4.087 -13.757 1.00 71.41 H new ATOM 0 HA LEU A 28 -3.098 -3.911 -10.965 1.00 74.11 H new ATOM 0 HB2 LEU A 28 -0.700 -3.729 -11.635 1.00 55.14 H new ATOM 0 HB3 LEU A 28 -1.090 -2.426 -12.740 1.00 55.14 H new ATOM 0 HG LEU A 28 -1.825 -1.072 -10.687 1.00 75.11 H new ATOM 0 HD11 LEU A 28 -0.866 -1.715 -8.511 1.00 11.32 H new ATOM 0 HD12 LEU A 28 -2.081 -2.884 -9.081 1.00 11.32 H new ATOM 0 HD13 LEU A 28 -0.348 -3.270 -9.204 1.00 11.32 H new ATOM 0 HD21 LEU A 28 0.503 -0.418 -10.145 1.00 0.55 H new ATOM 0 HD22 LEU A 28 1.096 -1.887 -10.956 1.00 0.55 H new ATOM 0 HD23 LEU A 28 0.260 -0.627 -11.895 1.00 0.55 H new ATOM 458 N ASP A 29 -4.341 -1.729 -10.930 1.00 50.22 N ATOM 459 CA ASP A 29 -5.111 -0.465 -10.838 1.00 12.20 C ATOM 460 C ASP A 29 -5.190 -0.052 -9.363 1.00 10.45 C ATOM 461 O ASP A 29 -4.811 -0.837 -8.473 1.00 31.51 O ATOM 462 CB ASP A 29 -6.543 -0.642 -11.430 1.00 1.14 C ATOM 463 CG ASP A 29 -7.287 0.685 -11.676 1.00 4.01 C ATOM 464 OD1 ASP A 29 -6.948 1.389 -12.638 1.00 3.52 O ATOM 465 OD2 ASP A 29 -8.197 1.036 -10.904 1.00 31.31 O ATOM 0 H ASP A 29 -4.287 -2.230 -10.043 1.00 50.22 H new ATOM 0 HA ASP A 29 -4.610 0.311 -11.417 1.00 12.20 H new ATOM 0 HB2 ASP A 29 -6.471 -1.187 -12.371 1.00 1.14 H new ATOM 0 HB3 ASP A 29 -7.133 -1.257 -10.750 1.00 1.14 H new ATOM 470 N ASP A 30 -5.686 1.169 -9.100 1.00 75.55 N ATOM 471 CA ASP A 30 -5.900 1.659 -7.731 1.00 4.54 C ATOM 472 C ASP A 30 -7.103 0.964 -7.085 1.00 35.15 C ATOM 473 O ASP A 30 -7.091 0.667 -5.887 1.00 73.30 O ATOM 474 CB ASP A 30 -6.077 3.197 -7.702 1.00 32.21 C ATOM 475 CG ASP A 30 -7.288 3.720 -8.494 1.00 4.21 C ATOM 476 OD1 ASP A 30 -7.212 3.796 -9.741 1.00 74.12 O ATOM 477 OD2 ASP A 30 -8.327 4.041 -7.877 1.00 1.30 O ATOM 0 H ASP A 30 -5.947 1.838 -9.825 1.00 75.55 H new ATOM 0 HA ASP A 30 -5.010 1.415 -7.151 1.00 4.54 H new ATOM 0 HB2 ASP A 30 -6.172 3.519 -6.665 1.00 32.21 H new ATOM 0 HB3 ASP A 30 -5.173 3.661 -8.098 1.00 32.21 H new ATOM 482 N GLN A 31 -8.118 0.704 -7.904 1.00 71.21 N ATOM 483 CA GLN A 31 -9.360 0.042 -7.503 1.00 64.24 C ATOM 484 C GLN A 31 -9.182 -1.484 -7.392 1.00 54.32 C ATOM 485 O GLN A 31 -10.050 -2.156 -6.810 1.00 33.32 O ATOM 486 CB GLN A 31 -10.471 0.373 -8.529 1.00 42.22 C ATOM 487 CG GLN A 31 -10.753 1.879 -8.688 1.00 13.42 C ATOM 488 CD GLN A 31 -11.612 2.191 -9.913 1.00 21.10 C ATOM 489 OE1 GLN A 31 -12.839 2.226 -9.837 1.00 1.51 O ATOM 490 NE2 GLN A 31 -10.976 2.381 -11.057 1.00 55.21 N ATOM 0 H GLN A 31 -8.101 0.954 -8.893 1.00 71.21 H new ATOM 0 HA GLN A 31 -9.641 0.412 -6.517 1.00 64.24 H new ATOM 0 HB2 GLN A 31 -10.189 -0.037 -9.499 1.00 42.22 H new ATOM 0 HB3 GLN A 31 -11.391 -0.128 -8.227 1.00 42.22 H new ATOM 0 HG2 GLN A 31 -11.255 2.247 -7.793 1.00 13.42 H new ATOM 0 HG3 GLN A 31 -9.807 2.416 -8.766 1.00 13.42 H new ATOM 0 HE21 GLN A 31 -9.957 2.346 -11.086 1.00 55.21 H new ATOM 0 HE22 GLN A 31 -11.504 2.563 -11.910 1.00 55.21 H new ATOM 499 N THR A 32 -8.078 -2.023 -7.968 1.00 33.20 N ATOM 500 CA THR A 32 -7.797 -3.466 -7.956 1.00 33.43 C ATOM 501 C THR A 32 -7.593 -3.973 -6.514 1.00 32.13 C ATOM 502 O THR A 32 -6.652 -3.529 -5.837 1.00 63.41 O ATOM 503 CB THR A 32 -6.540 -3.842 -8.797 1.00 3.32 C ATOM 504 OG1 THR A 32 -6.737 -3.443 -10.147 1.00 11.33 O ATOM 505 CG2 THR A 32 -6.247 -5.358 -8.761 1.00 61.15 C ATOM 0 H THR A 32 -7.369 -1.469 -8.448 1.00 33.20 H new ATOM 0 HA THR A 32 -8.667 -3.945 -8.406 1.00 33.43 H new ATOM 0 HB THR A 32 -5.687 -3.323 -8.360 1.00 3.32 H new ATOM 0 HG1 THR A 32 -5.946 -3.678 -10.676 1.00 11.33 H new ATOM 0 HG21 THR A 32 -5.363 -5.572 -9.361 1.00 61.15 H new ATOM 0 HG22 THR A 32 -6.071 -5.670 -7.732 1.00 61.15 H new ATOM 0 HG23 THR A 32 -7.100 -5.903 -9.165 1.00 61.15 H new ATOM 513 N PRO A 33 -8.467 -4.916 -6.036 1.00 24.43 N ATOM 514 CA PRO A 33 -8.331 -5.499 -4.696 1.00 5.11 C ATOM 515 C PRO A 33 -7.140 -6.475 -4.649 1.00 30.10 C ATOM 516 O PRO A 33 -7.204 -7.586 -5.167 1.00 1.30 O ATOM 517 CB PRO A 33 -9.679 -6.212 -4.487 1.00 13.42 C ATOM 518 CG PRO A 33 -10.167 -6.555 -5.864 1.00 45.35 C ATOM 519 CD PRO A 33 -9.644 -5.471 -6.769 1.00 0.03 C ATOM 0 HA PRO A 33 -8.127 -4.767 -3.915 1.00 5.11 H new ATOM 0 HB2 PRO A 33 -9.559 -7.108 -3.878 1.00 13.42 H new ATOM 0 HB3 PRO A 33 -10.388 -5.567 -3.968 1.00 13.42 H new ATOM 0 HG2 PRO A 33 -9.802 -7.534 -6.175 1.00 45.35 H new ATOM 0 HG3 PRO A 33 -11.256 -6.597 -5.893 1.00 45.35 H new ATOM 0 HD2 PRO A 33 -9.355 -5.869 -7.742 1.00 0.03 H new ATOM 0 HD3 PRO A 33 -10.398 -4.705 -6.949 1.00 0.03 H new ATOM 527 N LEU A 34 -6.064 -6.038 -4.004 1.00 3.03 N ATOM 528 CA LEU A 34 -4.795 -6.769 -3.961 1.00 11.40 C ATOM 529 C LEU A 34 -4.936 -8.104 -3.207 1.00 3.33 C ATOM 530 O LEU A 34 -4.339 -9.105 -3.596 1.00 34.30 O ATOM 531 CB LEU A 34 -3.731 -5.881 -3.303 1.00 23.54 C ATOM 532 CG LEU A 34 -3.536 -4.467 -3.927 1.00 34.32 C ATOM 533 CD1 LEU A 34 -2.545 -3.632 -3.094 1.00 50.22 C ATOM 534 CD2 LEU A 34 -3.094 -4.555 -5.407 1.00 12.13 C ATOM 0 H LEU A 34 -6.044 -5.157 -3.490 1.00 3.03 H new ATOM 0 HA LEU A 34 -4.492 -7.010 -4.980 1.00 11.40 H new ATOM 0 HB2 LEU A 34 -3.989 -5.759 -2.251 1.00 23.54 H new ATOM 0 HB3 LEU A 34 -2.776 -6.406 -3.338 1.00 23.54 H new ATOM 0 HG LEU A 34 -4.501 -3.960 -3.909 1.00 34.32 H new ATOM 0 HD11 LEU A 34 -2.425 -2.649 -3.549 1.00 50.22 H new ATOM 0 HD12 LEU A 34 -2.928 -3.518 -2.080 1.00 50.22 H new ATOM 0 HD13 LEU A 34 -1.580 -4.138 -3.063 1.00 50.22 H new ATOM 0 HD21 LEU A 34 -2.968 -3.550 -5.809 1.00 12.13 H new ATOM 0 HD22 LEU A 34 -2.149 -5.094 -5.473 1.00 12.13 H new ATOM 0 HD23 LEU A 34 -3.854 -5.084 -5.983 1.00 12.13 H new ATOM 546 N LEU A 35 -5.740 -8.096 -2.132 1.00 63.22 N ATOM 547 CA LEU A 35 -6.018 -9.307 -1.326 1.00 54.12 C ATOM 548 C LEU A 35 -6.757 -10.364 -2.153 1.00 55.41 C ATOM 549 O LEU A 35 -6.386 -11.542 -2.143 1.00 73.24 O ATOM 550 CB LEU A 35 -6.865 -8.950 -0.090 1.00 72.40 C ATOM 551 CG LEU A 35 -6.230 -7.936 0.902 1.00 61.25 C ATOM 552 CD1 LEU A 35 -7.262 -7.516 1.952 1.00 74.24 C ATOM 553 CD2 LEU A 35 -4.962 -8.512 1.580 1.00 1.52 C ATOM 0 H LEU A 35 -6.215 -7.259 -1.795 1.00 63.22 H new ATOM 0 HA LEU A 35 -5.059 -9.715 -1.006 1.00 54.12 H new ATOM 0 HB2 LEU A 35 -7.818 -8.545 -0.432 1.00 72.40 H new ATOM 0 HB3 LEU A 35 -7.085 -9.869 0.453 1.00 72.40 H new ATOM 0 HG LEU A 35 -5.921 -7.058 0.334 1.00 61.25 H new ATOM 0 HD11 LEU A 35 -6.809 -6.805 2.643 1.00 74.24 H new ATOM 0 HD12 LEU A 35 -8.114 -7.049 1.458 1.00 74.24 H new ATOM 0 HD13 LEU A 35 -7.598 -8.394 2.503 1.00 74.24 H new ATOM 0 HD21 LEU A 35 -4.548 -7.773 2.266 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -5.223 -9.414 2.133 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -4.221 -8.755 0.819 1.00 1.52 H new ATOM 565 N GLU A 36 -7.798 -9.916 -2.879 1.00 21.11 N ATOM 566 CA GLU A 36 -8.627 -10.807 -3.716 1.00 15.14 C ATOM 567 C GLU A 36 -7.816 -11.351 -4.900 1.00 42.42 C ATOM 568 O GLU A 36 -8.117 -12.430 -5.416 1.00 10.31 O ATOM 569 CB GLU A 36 -9.888 -10.073 -4.227 1.00 50.23 C ATOM 570 CG GLU A 36 -10.738 -9.395 -3.132 1.00 15.00 C ATOM 571 CD GLU A 36 -11.164 -10.329 -1.984 1.00 5.25 C ATOM 572 OE1 GLU A 36 -12.064 -11.173 -2.191 1.00 22.14 O ATOM 573 OE2 GLU A 36 -10.599 -10.228 -0.867 1.00 73.31 O ATOM 0 H GLU A 36 -8.087 -8.938 -2.903 1.00 21.11 H new ATOM 0 HA GLU A 36 -8.944 -11.645 -3.096 1.00 15.14 H new ATOM 0 HB2 GLU A 36 -9.582 -9.316 -4.949 1.00 50.23 H new ATOM 0 HB3 GLU A 36 -10.514 -10.788 -4.761 1.00 50.23 H new ATOM 0 HG2 GLU A 36 -10.172 -8.562 -2.715 1.00 15.00 H new ATOM 0 HG3 GLU A 36 -11.632 -8.975 -3.592 1.00 15.00 H new ATOM 580 N TRP A 37 -6.772 -10.608 -5.307 1.00 31.12 N ATOM 581 CA TRP A 37 -5.870 -11.026 -6.409 1.00 42.35 C ATOM 582 C TRP A 37 -4.655 -11.798 -5.863 1.00 22.53 C ATOM 583 O TRP A 37 -3.730 -12.103 -6.617 1.00 10.12 O ATOM 584 CB TRP A 37 -5.443 -9.790 -7.251 1.00 61.32 C ATOM 585 CG TRP A 37 -6.547 -9.255 -8.147 1.00 35.43 C ATOM 586 CD1 TRP A 37 -7.830 -8.950 -7.786 1.00 51.23 C ATOM 587 CD2 TRP A 37 -6.459 -8.967 -9.554 1.00 33.34 C ATOM 588 NE1 TRP A 37 -8.536 -8.509 -8.862 1.00 4.01 N ATOM 589 CE2 TRP A 37 -7.722 -8.502 -9.963 1.00 21.51 C ATOM 590 CE3 TRP A 37 -5.434 -9.051 -10.503 1.00 33.23 C ATOM 591 CZ2 TRP A 37 -7.994 -8.131 -11.277 1.00 42.03 C ATOM 592 CZ3 TRP A 37 -5.708 -8.688 -11.812 1.00 14.23 C ATOM 593 CH2 TRP A 37 -6.976 -8.226 -12.185 1.00 44.01 C ATOM 0 H TRP A 37 -6.526 -9.710 -4.891 1.00 31.12 H new ATOM 0 HA TRP A 37 -6.410 -11.707 -7.067 1.00 42.35 H new ATOM 0 HB2 TRP A 37 -5.116 -8.997 -6.578 1.00 61.32 H new ATOM 0 HB3 TRP A 37 -4.585 -10.059 -7.867 1.00 61.32 H new ATOM 0 HD1 TRP A 37 -8.227 -9.046 -6.786 1.00 51.23 H new ATOM 0 HE1 TRP A 37 -9.516 -8.228 -8.850 1.00 4.01 H new ATOM 0 HE3 TRP A 37 -4.449 -9.392 -10.221 1.00 33.23 H new ATOM 0 HZ2 TRP A 37 -8.973 -7.781 -11.569 1.00 42.03 H new ATOM 0 HZ3 TRP A 37 -4.930 -8.763 -12.557 1.00 14.23 H new ATOM 0 HH2 TRP A 37 -7.154 -7.939 -13.211 1.00 44.01 H new ATOM 604 N GLY A 38 -4.676 -12.115 -4.549 1.00 74.04 N ATOM 605 CA GLY A 38 -3.648 -12.951 -3.912 1.00 25.00 C ATOM 606 C GLY A 38 -2.257 -12.317 -3.893 1.00 50.41 C ATOM 607 O GLY A 38 -1.253 -13.009 -3.707 1.00 13.21 O ATOM 0 H GLY A 38 -5.404 -11.798 -3.908 1.00 74.04 H new ATOM 0 HA2 GLY A 38 -3.952 -13.166 -2.888 1.00 25.00 H new ATOM 0 HA3 GLY A 38 -3.594 -13.905 -4.436 1.00 25.00 H new ATOM 611 N ILE A 39 -2.213 -10.989 -4.077 1.00 25.01 N ATOM 612 CA ILE A 39 -0.978 -10.207 -4.201 1.00 14.32 C ATOM 613 C ILE A 39 -0.332 -10.017 -2.821 1.00 21.51 C ATOM 614 O ILE A 39 0.895 -10.065 -2.690 1.00 4.33 O ATOM 615 CB ILE A 39 -1.288 -8.813 -4.890 1.00 74.42 C ATOM 616 CG1 ILE A 39 -1.802 -9.036 -6.353 1.00 11.32 C ATOM 617 CG2 ILE A 39 -0.076 -7.846 -4.863 1.00 22.11 C ATOM 618 CD1 ILE A 39 -2.251 -7.781 -7.077 1.00 24.03 C ATOM 0 H ILE A 39 -3.055 -10.418 -4.145 1.00 25.01 H new ATOM 0 HA ILE A 39 -0.270 -10.746 -4.831 1.00 14.32 H new ATOM 0 HB ILE A 39 -2.073 -8.332 -4.307 1.00 74.42 H new ATOM 0 HG12 ILE A 39 -1.008 -9.506 -6.933 1.00 11.32 H new ATOM 0 HG13 ILE A 39 -2.635 -9.738 -6.325 1.00 11.32 H new ATOM 0 HG21 ILE A 39 -0.347 -6.909 -5.349 1.00 22.11 H new ATOM 0 HG22 ILE A 39 0.210 -7.650 -3.830 1.00 22.11 H new ATOM 0 HG23 ILE A 39 0.763 -8.299 -5.392 1.00 22.11 H new ATOM 0 HD11 ILE A 39 -2.588 -8.041 -8.080 1.00 24.03 H new ATOM 0 HD12 ILE A 39 -3.070 -7.317 -6.527 1.00 24.03 H new ATOM 0 HD13 ILE A 39 -1.418 -7.082 -7.144 1.00 24.03 H new ATOM 630 N LEU A 40 -1.174 -9.842 -1.782 1.00 63.12 N ATOM 631 CA LEU A 40 -0.701 -9.446 -0.444 1.00 64.23 C ATOM 632 C LEU A 40 -0.696 -10.589 0.570 1.00 40.44 C ATOM 633 O LEU A 40 -1.652 -11.357 0.687 1.00 32.12 O ATOM 634 CB LEU A 40 -1.534 -8.285 0.118 1.00 1.42 C ATOM 635 CG LEU A 40 -1.538 -6.982 -0.726 1.00 60.52 C ATOM 636 CD1 LEU A 40 -2.379 -5.903 -0.041 1.00 74.25 C ATOM 637 CD2 LEU A 40 -0.110 -6.479 -1.013 1.00 13.54 C ATOM 0 H LEU A 40 -2.184 -9.969 -1.846 1.00 63.12 H new ATOM 0 HA LEU A 40 0.333 -9.133 -0.590 1.00 64.23 H new ATOM 0 HB2 LEU A 40 -2.564 -8.624 0.232 1.00 1.42 H new ATOM 0 HB3 LEU A 40 -1.164 -8.048 1.115 1.00 1.42 H new ATOM 0 HG LEU A 40 -1.992 -7.212 -1.690 1.00 60.52 H new ATOM 0 HD11 LEU A 40 -2.371 -4.997 -0.646 1.00 74.25 H new ATOM 0 HD12 LEU A 40 -3.404 -6.256 0.069 1.00 74.25 H new ATOM 0 HD13 LEU A 40 -1.962 -5.686 0.942 1.00 74.25 H new ATOM 0 HD21 LEU A 40 -0.158 -5.566 -1.606 1.00 13.54 H new ATOM 0 HD22 LEU A 40 0.400 -6.274 -0.072 1.00 13.54 H new ATOM 0 HD23 LEU A 40 0.440 -7.241 -1.565 1.00 13.54 H new ATOM 649 N ASN A 41 0.416 -10.609 1.288 1.00 2.21 N ATOM 650 CA ASN A 41 0.737 -11.432 2.472 1.00 14.14 C ATOM 651 C ASN A 41 2.181 -11.055 2.831 1.00 21.34 C ATOM 652 O ASN A 41 2.766 -10.242 2.129 1.00 45.14 O ATOM 653 CB ASN A 41 0.584 -12.970 2.236 1.00 62.44 C ATOM 654 CG ASN A 41 -0.560 -13.593 3.055 1.00 41.45 C ATOM 655 OD1 ASN A 41 -1.705 -13.662 2.599 1.00 73.31 O ATOM 656 ND2 ASN A 41 -0.268 -14.030 4.273 1.00 73.32 N ATOM 0 H ASN A 41 1.196 -9.998 1.045 1.00 2.21 H new ATOM 0 HA ASN A 41 0.034 -11.229 3.280 1.00 14.14 H new ATOM 0 HB2 ASN A 41 0.407 -13.154 1.176 1.00 62.44 H new ATOM 0 HB3 ASN A 41 1.520 -13.466 2.493 1.00 62.44 H new ATOM 0 HD21 ASN A 41 -0.999 -14.436 4.858 1.00 73.32 H new ATOM 0 HD22 ASN A 41 0.687 -13.961 4.624 1.00 73.32 H new ATOM 663 N SER A 42 2.746 -11.636 3.887 1.00 21.14 N ATOM 664 CA SER A 42 4.040 -11.210 4.485 1.00 42.24 C ATOM 665 C SER A 42 5.146 -10.812 3.461 1.00 70.23 C ATOM 666 O SER A 42 5.760 -9.753 3.580 1.00 2.43 O ATOM 667 CB SER A 42 4.592 -12.322 5.389 1.00 5.15 C ATOM 668 OG SER A 42 3.752 -12.601 6.498 1.00 30.24 O ATOM 0 H SER A 42 2.323 -12.429 4.369 1.00 21.14 H new ATOM 0 HA SER A 42 3.802 -10.307 5.047 1.00 42.24 H new ATOM 0 HB2 SER A 42 4.722 -13.230 4.801 1.00 5.15 H new ATOM 0 HB3 SER A 42 5.579 -12.033 5.751 1.00 5.15 H new ATOM 673 N MET A 43 5.338 -11.640 2.423 1.00 33.13 N ATOM 674 CA MET A 43 6.432 -11.455 1.418 1.00 14.44 C ATOM 675 C MET A 43 6.240 -10.219 0.502 1.00 1.24 C ATOM 676 O MET A 43 7.108 -9.916 -0.321 1.00 0.33 O ATOM 677 CB MET A 43 6.623 -12.751 0.571 1.00 40.13 C ATOM 678 CG MET A 43 5.331 -13.332 -0.019 1.00 12.44 C ATOM 679 SD MET A 43 4.534 -12.225 -1.207 1.00 72.44 S ATOM 680 CE MET A 43 2.808 -12.361 -0.737 1.00 1.02 C ATOM 0 H MET A 43 4.752 -12.455 2.244 1.00 33.13 H new ATOM 0 HA MET A 43 7.339 -11.260 1.991 1.00 14.44 H new ATOM 0 HB2 MET A 43 7.314 -12.536 -0.245 1.00 40.13 H new ATOM 0 HB3 MET A 43 7.094 -13.510 1.196 1.00 40.13 H new ATOM 0 HG2 MET A 43 5.556 -14.280 -0.509 1.00 12.44 H new ATOM 0 HG3 MET A 43 4.634 -13.549 0.791 1.00 12.44 H new ATOM 0 HE1 MET A 43 2.180 -12.228 -1.618 1.00 1.02 H new ATOM 0 HE2 MET A 43 2.625 -13.345 -0.306 1.00 1.02 H new ATOM 0 HE3 MET A 43 2.570 -11.593 -0.002 1.00 1.02 H new ATOM 690 N ASN A 44 5.113 -9.529 0.657 1.00 73.05 N ATOM 691 CA ASN A 44 4.762 -8.346 -0.138 1.00 45.21 C ATOM 692 C ASN A 44 4.402 -7.187 0.802 1.00 43.54 C ATOM 693 O ASN A 44 4.954 -6.094 0.701 1.00 21.43 O ATOM 694 CB ASN A 44 3.576 -8.697 -1.093 1.00 11.43 C ATOM 695 CG ASN A 44 3.215 -7.597 -2.107 1.00 21.12 C ATOM 696 OD1 ASN A 44 3.295 -6.407 -1.829 1.00 2.21 O ATOM 697 ND2 ASN A 44 2.835 -7.992 -3.312 1.00 14.22 N ATOM 0 H ASN A 44 4.404 -9.776 1.348 1.00 73.05 H new ATOM 0 HA ASN A 44 5.610 -8.036 -0.748 1.00 45.21 H new ATOM 0 HB2 ASN A 44 3.825 -9.607 -1.639 1.00 11.43 H new ATOM 0 HB3 ASN A 44 2.696 -8.918 -0.490 1.00 11.43 H new ATOM 0 HD21 ASN A 44 2.603 -7.301 -4.026 1.00 14.22 H new ATOM 0 HD22 ASN A 44 2.774 -8.987 -3.527 1.00 14.22 H new ATOM 704 N ILE A 45 3.523 -7.491 1.756 1.00 45.34 N ATOM 705 CA ILE A 45 2.824 -6.498 2.591 1.00 12.31 C ATOM 706 C ILE A 45 3.786 -5.734 3.526 1.00 31.13 C ATOM 707 O ILE A 45 3.583 -4.549 3.797 1.00 42.44 O ATOM 708 CB ILE A 45 1.689 -7.199 3.415 1.00 2.15 C ATOM 709 CG1 ILE A 45 0.651 -6.183 3.961 1.00 2.33 C ATOM 710 CG2 ILE A 45 2.264 -8.054 4.579 1.00 45.11 C ATOM 711 CD1 ILE A 45 -0.512 -6.847 4.655 1.00 21.10 C ATOM 0 H ILE A 45 3.267 -8.453 1.980 1.00 45.34 H new ATOM 0 HA ILE A 45 2.382 -5.758 1.924 1.00 12.31 H new ATOM 0 HB ILE A 45 1.176 -7.865 2.721 1.00 2.15 H new ATOM 0 HG12 ILE A 45 1.145 -5.506 4.658 1.00 2.33 H new ATOM 0 HG13 ILE A 45 0.277 -5.575 3.137 1.00 2.33 H new ATOM 0 HG21 ILE A 45 1.445 -8.523 5.125 1.00 45.11 H new ATOM 0 HG22 ILE A 45 2.919 -8.826 4.175 1.00 45.11 H new ATOM 0 HG23 ILE A 45 2.831 -7.414 5.255 1.00 45.11 H new ATOM 0 HD11 ILE A 45 -1.204 -6.086 5.015 1.00 21.10 H new ATOM 0 HD12 ILE A 45 -1.028 -7.503 3.954 1.00 21.10 H new ATOM 0 HD13 ILE A 45 -0.146 -7.433 5.498 1.00 21.10 H new ATOM 723 N VAL A 46 4.844 -6.432 3.986 1.00 3.33 N ATOM 724 CA VAL A 46 5.852 -5.871 4.907 1.00 22.10 C ATOM 725 C VAL A 46 6.694 -4.801 4.181 1.00 5.40 C ATOM 726 O VAL A 46 7.216 -3.861 4.789 1.00 22.30 O ATOM 727 CB VAL A 46 6.764 -7.008 5.495 1.00 54.30 C ATOM 728 CG1 VAL A 46 7.836 -6.450 6.456 1.00 32.25 C ATOM 729 CG2 VAL A 46 5.907 -8.093 6.198 1.00 22.41 C ATOM 0 H VAL A 46 5.023 -7.403 3.728 1.00 3.33 H new ATOM 0 HA VAL A 46 5.338 -5.395 5.742 1.00 22.10 H new ATOM 0 HB VAL A 46 7.288 -7.468 4.657 1.00 54.30 H new ATOM 0 HG11 VAL A 46 8.444 -7.270 6.839 1.00 32.25 H new ATOM 0 HG12 VAL A 46 8.473 -5.745 5.921 1.00 32.25 H new ATOM 0 HG13 VAL A 46 7.349 -5.940 7.287 1.00 32.25 H new ATOM 0 HG21 VAL A 46 6.559 -8.870 6.597 1.00 22.41 H new ATOM 0 HG22 VAL A 46 5.342 -7.639 7.012 1.00 22.41 H new ATOM 0 HG23 VAL A 46 5.216 -8.534 5.479 1.00 22.41 H new ATOM 739 N LYS A 47 6.757 -4.935 2.849 1.00 63.45 N ATOM 740 CA LYS A 47 7.498 -4.020 1.977 1.00 10.44 C ATOM 741 C LYS A 47 6.741 -2.694 1.831 1.00 33.13 C ATOM 742 O LYS A 47 7.363 -1.654 1.625 1.00 62.30 O ATOM 743 CB LYS A 47 7.788 -4.659 0.590 1.00 64.02 C ATOM 744 CG LYS A 47 8.877 -5.754 0.604 1.00 71.44 C ATOM 745 CD LYS A 47 8.495 -6.986 1.455 1.00 54.24 C ATOM 746 CE LYS A 47 9.530 -8.108 1.375 1.00 35.22 C ATOM 747 NZ LYS A 47 9.678 -8.632 0.004 1.00 72.52 N ATOM 0 H LYS A 47 6.290 -5.689 2.345 1.00 63.45 H new ATOM 0 HA LYS A 47 8.462 -3.817 2.443 1.00 10.44 H new ATOM 0 HB2 LYS A 47 6.864 -5.088 0.202 1.00 64.02 H new ATOM 0 HB3 LYS A 47 8.090 -3.873 -0.102 1.00 64.02 H new ATOM 0 HG2 LYS A 47 9.073 -6.075 -0.419 1.00 71.44 H new ATOM 0 HG3 LYS A 47 9.804 -5.329 0.988 1.00 71.44 H new ATOM 0 HD2 LYS A 47 8.377 -6.681 2.495 1.00 54.24 H new ATOM 0 HD3 LYS A 47 7.529 -7.365 1.123 1.00 54.24 H new ATOM 0 HE2 LYS A 47 10.493 -7.738 1.727 1.00 35.22 H new ATOM 0 HE3 LYS A 47 9.237 -8.919 2.042 1.00 35.22 H new ATOM 0 HZ1 LYS A 47 10.326 -9.446 0.011 1.00 72.52 H new ATOM 0 HZ2 LYS A 47 8.749 -8.932 -0.355 1.00 72.52 H new ATOM 0 HZ3 LYS A 47 10.064 -7.888 -0.612 1.00 72.52 H new ATOM 761 N LEU A 48 5.396 -2.742 1.950 1.00 65.31 N ATOM 762 CA LEU A 48 4.556 -1.519 1.996 1.00 43.41 C ATOM 763 C LEU A 48 4.755 -0.792 3.323 1.00 63.13 C ATOM 764 O LEU A 48 4.821 0.435 3.347 1.00 52.45 O ATOM 765 CB LEU A 48 3.040 -1.812 1.790 1.00 3.04 C ATOM 766 CG LEU A 48 2.603 -2.260 0.355 1.00 53.34 C ATOM 767 CD1 LEU A 48 3.110 -1.269 -0.732 1.00 21.12 C ATOM 768 CD2 LEU A 48 3.041 -3.704 0.047 1.00 42.13 C ATOM 0 H LEU A 48 4.867 -3.612 2.016 1.00 65.31 H new ATOM 0 HA LEU A 48 4.881 -0.890 1.167 1.00 43.41 H new ATOM 0 HB2 LEU A 48 2.744 -2.589 2.495 1.00 3.04 H new ATOM 0 HB3 LEU A 48 2.480 -0.914 2.052 1.00 3.04 H new ATOM 0 HG LEU A 48 1.513 -2.242 0.333 1.00 53.34 H new ATOM 0 HD11 LEU A 48 2.788 -1.612 -1.715 1.00 21.12 H new ATOM 0 HD12 LEU A 48 2.699 -0.278 -0.541 1.00 21.12 H new ATOM 0 HD13 LEU A 48 4.199 -1.222 -0.702 1.00 21.12 H new ATOM 0 HD21 LEU A 48 2.718 -3.976 -0.958 1.00 42.13 H new ATOM 0 HD22 LEU A 48 4.127 -3.776 0.111 1.00 42.13 H new ATOM 0 HD23 LEU A 48 2.588 -4.383 0.769 1.00 42.13 H new ATOM 780 N MET A 49 4.873 -1.575 4.416 1.00 15.42 N ATOM 781 CA MET A 49 5.056 -1.030 5.780 1.00 14.41 C ATOM 782 C MET A 49 6.329 -0.170 5.832 1.00 65.15 C ATOM 783 O MET A 49 6.276 0.995 6.222 1.00 61.04 O ATOM 784 CB MET A 49 5.151 -2.157 6.852 1.00 41.42 C ATOM 785 CG MET A 49 3.996 -3.164 6.866 1.00 12.44 C ATOM 786 SD MET A 49 4.288 -4.481 8.077 1.00 0.50 S ATOM 787 CE MET A 49 3.040 -5.695 7.651 1.00 10.41 C ATOM 0 H MET A 49 4.845 -2.594 4.380 1.00 15.42 H new ATOM 0 HA MET A 49 4.181 -0.422 6.008 1.00 14.41 H new ATOM 0 HB2 MET A 49 6.082 -2.703 6.697 1.00 41.42 H new ATOM 0 HB3 MET A 49 5.215 -1.692 7.836 1.00 41.42 H new ATOM 0 HG2 MET A 49 3.065 -2.649 7.102 1.00 12.44 H new ATOM 0 HG3 MET A 49 3.877 -3.599 5.874 1.00 12.44 H new ATOM 0 HE1 MET A 49 2.519 -6.014 8.554 1.00 10.41 H new ATOM 0 HE2 MET A 49 2.325 -5.254 6.957 1.00 10.41 H new ATOM 0 HE3 MET A 49 3.516 -6.557 7.183 1.00 10.41 H new ATOM 797 N VAL A 50 7.451 -0.759 5.371 1.00 4.22 N ATOM 798 CA VAL A 50 8.777 -0.091 5.359 1.00 3.50 C ATOM 799 C VAL A 50 8.847 1.031 4.289 1.00 1.11 C ATOM 800 O VAL A 50 9.589 2.008 4.458 1.00 40.15 O ATOM 801 CB VAL A 50 9.952 -1.127 5.148 1.00 53.14 C ATOM 802 CG1 VAL A 50 9.857 -1.841 3.783 1.00 44.34 C ATOM 803 CG2 VAL A 50 11.342 -0.470 5.324 1.00 33.31 C ATOM 0 H VAL A 50 7.468 -1.708 4.997 1.00 4.22 H new ATOM 0 HA VAL A 50 8.903 0.369 6.339 1.00 3.50 H new ATOM 0 HB VAL A 50 9.838 -1.881 5.927 1.00 53.14 H new ATOM 0 HG11 VAL A 50 10.684 -2.543 3.681 1.00 44.34 H new ATOM 0 HG12 VAL A 50 8.912 -2.381 3.720 1.00 44.34 H new ATOM 0 HG13 VAL A 50 9.907 -1.103 2.982 1.00 44.34 H new ATOM 0 HG21 VAL A 50 12.120 -1.218 5.170 1.00 33.31 H new ATOM 0 HG22 VAL A 50 11.460 0.332 4.595 1.00 33.31 H new ATOM 0 HG23 VAL A 50 11.426 -0.061 6.331 1.00 33.31 H new ATOM 813 N TYR A 51 8.044 0.890 3.210 1.00 51.05 N ATOM 814 CA TYR A 51 8.000 1.885 2.113 1.00 23.35 C ATOM 815 C TYR A 51 7.492 3.218 2.657 1.00 15.53 C ATOM 816 O TYR A 51 8.174 4.234 2.600 1.00 41.01 O ATOM 817 CB TYR A 51 7.081 1.418 0.950 1.00 34.45 C ATOM 818 CG TYR A 51 7.243 2.250 -0.338 1.00 34.01 C ATOM 819 CD1 TYR A 51 8.261 1.966 -1.247 1.00 71.51 C ATOM 820 CD2 TYR A 51 6.391 3.314 -0.633 1.00 33.24 C ATOM 821 CE1 TYR A 51 8.414 2.700 -2.404 1.00 4.10 C ATOM 822 CE2 TYR A 51 6.544 4.050 -1.791 1.00 22.23 C ATOM 823 CZ TYR A 51 7.551 3.740 -2.672 1.00 34.42 C ATOM 824 OH TYR A 51 7.701 4.479 -3.817 1.00 73.24 O ATOM 0 H TYR A 51 7.417 0.097 3.075 1.00 51.05 H new ATOM 0 HA TYR A 51 9.010 1.997 1.719 1.00 23.35 H new ATOM 0 HB2 TYR A 51 7.295 0.373 0.727 1.00 34.45 H new ATOM 0 HB3 TYR A 51 6.042 1.468 1.277 1.00 34.45 H new ATOM 0 HD1 TYR A 51 8.943 1.155 -1.041 1.00 71.51 H new ATOM 0 HD2 TYR A 51 5.598 3.566 0.056 1.00 33.24 H new ATOM 0 HE1 TYR A 51 9.207 2.461 -3.097 1.00 4.10 H new ATOM 0 HE2 TYR A 51 5.873 4.869 -2.004 1.00 22.23 H new ATOM 0 HH TYR A 51 8.087 3.917 -4.521 1.00 73.24 H new ATOM 834 N ILE A 52 6.287 3.146 3.222 1.00 53.43 N ATOM 835 CA ILE A 52 5.554 4.288 3.783 1.00 43.33 C ATOM 836 C ILE A 52 6.285 4.842 5.025 1.00 52.00 C ATOM 837 O ILE A 52 6.267 6.050 5.290 1.00 73.32 O ATOM 838 CB ILE A 52 4.084 3.833 4.114 1.00 11.52 C ATOM 839 CG1 ILE A 52 3.415 3.234 2.826 1.00 0.23 C ATOM 840 CG2 ILE A 52 3.237 4.990 4.691 1.00 62.54 C ATOM 841 CD1 ILE A 52 2.165 2.419 3.074 1.00 41.23 C ATOM 0 H ILE A 52 5.776 2.267 3.306 1.00 53.43 H new ATOM 0 HA ILE A 52 5.510 5.100 3.057 1.00 43.33 H new ATOM 0 HB ILE A 52 4.131 3.064 4.885 1.00 11.52 H new ATOM 0 HG12 ILE A 52 3.169 4.052 2.149 1.00 0.23 H new ATOM 0 HG13 ILE A 52 4.144 2.606 2.315 1.00 0.23 H new ATOM 0 HG21 ILE A 52 2.230 4.632 4.905 1.00 62.54 H new ATOM 0 HG22 ILE A 52 3.696 5.354 5.610 1.00 62.54 H new ATOM 0 HG23 ILE A 52 3.187 5.801 3.965 1.00 62.54 H new ATOM 0 HD11 ILE A 52 1.778 2.049 2.125 1.00 41.23 H new ATOM 0 HD12 ILE A 52 2.403 1.576 3.722 1.00 41.23 H new ATOM 0 HD13 ILE A 52 1.412 3.044 3.554 1.00 41.23 H new ATOM 853 N ARG A 53 6.966 3.930 5.743 1.00 23.33 N ATOM 854 CA ARG A 53 7.799 4.258 6.915 1.00 71.51 C ATOM 855 C ARG A 53 8.989 5.169 6.534 1.00 53.21 C ATOM 856 O ARG A 53 9.432 5.988 7.346 1.00 30.13 O ATOM 857 CB ARG A 53 8.313 2.949 7.582 1.00 51.12 C ATOM 858 CG ARG A 53 9.176 3.165 8.845 1.00 40.51 C ATOM 859 CD ARG A 53 8.423 3.917 9.968 1.00 54.52 C ATOM 860 NE ARG A 53 9.321 4.438 11.005 1.00 40.31 N ATOM 861 CZ ARG A 53 9.789 3.761 12.051 1.00 73.23 C ATOM 862 NH1 ARG A 53 9.473 2.499 12.250 1.00 34.45 N ATOM 863 NH2 ARG A 53 10.566 4.381 12.919 1.00 41.32 N ATOM 0 H ARG A 53 6.953 2.934 5.523 1.00 23.33 H new ATOM 0 HA ARG A 53 7.180 4.807 7.624 1.00 71.51 H new ATOM 0 HB2 ARG A 53 7.455 2.331 7.846 1.00 51.12 H new ATOM 0 HB3 ARG A 53 8.897 2.389 6.851 1.00 51.12 H new ATOM 0 HG2 ARG A 53 9.508 2.198 9.222 1.00 40.51 H new ATOM 0 HG3 ARG A 53 10.071 3.726 8.576 1.00 40.51 H new ATOM 0 HD2 ARG A 53 7.861 4.743 9.532 1.00 54.52 H new ATOM 0 HD3 ARG A 53 7.698 3.245 10.426 1.00 54.52 H new ATOM 0 HE ARG A 53 9.614 5.411 10.916 1.00 40.31 H new ATOM 0 HH11 ARG A 53 8.857 2.018 11.595 1.00 34.45 H new ATOM 0 HH12 ARG A 53 9.845 2.002 13.059 1.00 34.45 H new ATOM 0 HH21 ARG A 53 10.800 5.365 12.783 1.00 41.32 H new ATOM 0 HH22 ARG A 53 10.933 3.877 13.726 1.00 41.32 H new ATOM 877 N ASP A 54 9.493 5.014 5.308 1.00 52.34 N ATOM 878 CA ASP A 54 10.645 5.804 4.806 1.00 63.11 C ATOM 879 C ASP A 54 10.179 7.012 3.968 1.00 25.34 C ATOM 880 O ASP A 54 10.806 8.081 4.000 1.00 72.21 O ATOM 881 CB ASP A 54 11.585 4.888 3.979 1.00 4.32 C ATOM 882 CG ASP A 54 12.857 5.608 3.498 1.00 64.14 C ATOM 883 OD1 ASP A 54 13.760 5.861 4.334 1.00 24.25 O ATOM 884 OD2 ASP A 54 12.971 5.916 2.289 1.00 61.12 O ATOM 0 H ASP A 54 9.125 4.345 4.631 1.00 52.34 H new ATOM 0 HA ASP A 54 11.193 6.198 5.662 1.00 63.11 H new ATOM 0 HB2 ASP A 54 11.869 4.027 4.584 1.00 4.32 H new ATOM 0 HB3 ASP A 54 11.042 4.505 3.115 1.00 4.32 H new ATOM 889 N GLU A 55 9.057 6.835 3.249 1.00 42.32 N ATOM 890 CA GLU A 55 8.568 7.815 2.259 1.00 1.31 C ATOM 891 C GLU A 55 7.763 8.922 2.969 1.00 12.20 C ATOM 892 O GLU A 55 8.067 10.107 2.812 1.00 11.11 O ATOM 893 CB GLU A 55 7.718 7.086 1.160 1.00 12.13 C ATOM 894 CG GLU A 55 7.867 7.616 -0.289 1.00 15.35 C ATOM 895 CD GLU A 55 7.446 9.082 -0.505 1.00 23.04 C ATOM 896 OE1 GLU A 55 6.247 9.346 -0.731 1.00 64.31 O ATOM 897 OE2 GLU A 55 8.306 9.982 -0.462 1.00 51.32 O ATOM 0 H GLU A 55 8.463 6.010 3.336 1.00 42.32 H new ATOM 0 HA GLU A 55 9.414 8.289 1.762 1.00 1.31 H new ATOM 0 HB2 GLU A 55 7.985 6.029 1.167 1.00 12.13 H new ATOM 0 HB3 GLU A 55 6.667 7.151 1.442 1.00 12.13 H new ATOM 0 HG2 GLU A 55 8.908 7.507 -0.592 1.00 15.35 H new ATOM 0 HG3 GLU A 55 7.274 6.985 -0.951 1.00 15.35 H new ATOM 904 N MET A 56 6.734 8.527 3.746 1.00 35.42 N ATOM 905 CA MET A 56 5.900 9.476 4.546 1.00 5.32 C ATOM 906 C MET A 56 6.362 9.547 6.014 1.00 73.13 C ATOM 907 O MET A 56 5.883 10.400 6.769 1.00 31.32 O ATOM 908 CB MET A 56 4.385 9.098 4.479 1.00 24.44 C ATOM 909 CG MET A 56 3.665 9.590 3.218 1.00 74.44 C ATOM 910 SD MET A 56 4.358 8.925 1.691 1.00 34.02 S ATOM 911 CE MET A 56 4.066 7.172 1.910 1.00 61.53 C ATOM 0 H MET A 56 6.451 7.552 3.843 1.00 35.42 H new ATOM 0 HA MET A 56 6.033 10.462 4.101 1.00 5.32 H new ATOM 0 HB2 MET A 56 4.291 8.014 4.537 1.00 24.44 H new ATOM 0 HB3 MET A 56 3.881 9.509 5.354 1.00 24.44 H new ATOM 0 HG2 MET A 56 2.612 9.316 3.280 1.00 74.44 H new ATOM 0 HG3 MET A 56 3.710 10.679 3.185 1.00 74.44 H new ATOM 0 HE1 MET A 56 4.474 6.626 1.059 1.00 61.53 H new ATOM 0 HE2 MET A 56 4.552 6.834 2.825 1.00 61.53 H new ATOM 0 HE3 MET A 56 2.994 6.988 1.979 1.00 61.53 H new ATOM 921 N GLY A 57 7.269 8.646 6.410 1.00 50.31 N ATOM 922 CA GLY A 57 7.783 8.614 7.779 1.00 73.33 C ATOM 923 C GLY A 57 6.828 7.957 8.771 1.00 53.43 C ATOM 924 O GLY A 57 6.931 8.197 9.973 1.00 41.34 O ATOM 0 H GLY A 57 7.661 7.930 5.799 1.00 50.31 H new ATOM 0 HA2 GLY A 57 8.732 8.078 7.790 1.00 73.33 H new ATOM 0 HA3 GLY A 57 7.989 9.633 8.105 1.00 73.33 H new ATOM 928 N VAL A 58 5.896 7.127 8.268 1.00 41.44 N ATOM 929 CA VAL A 58 4.880 6.453 9.105 1.00 35.21 C ATOM 930 C VAL A 58 4.687 4.991 8.637 1.00 53.22 C ATOM 931 O VAL A 58 4.482 4.748 7.464 1.00 54.14 O ATOM 932 CB VAL A 58 3.503 7.240 9.057 1.00 53.23 C ATOM 933 CG1 VAL A 58 2.967 7.402 7.611 1.00 70.42 C ATOM 934 CG2 VAL A 58 2.441 6.579 9.967 1.00 55.43 C ATOM 0 H VAL A 58 5.824 6.904 7.275 1.00 41.44 H new ATOM 0 HA VAL A 58 5.231 6.445 10.137 1.00 35.21 H new ATOM 0 HB VAL A 58 3.704 8.240 9.441 1.00 53.23 H new ATOM 0 HG11 VAL A 58 2.023 7.947 7.632 1.00 70.42 H new ATOM 0 HG12 VAL A 58 3.692 7.955 7.014 1.00 70.42 H new ATOM 0 HG13 VAL A 58 2.808 6.418 7.169 1.00 70.42 H new ATOM 0 HG21 VAL A 58 1.511 7.144 9.910 1.00 55.43 H new ATOM 0 HG22 VAL A 58 2.265 5.555 9.636 1.00 55.43 H new ATOM 0 HG23 VAL A 58 2.798 6.571 10.997 1.00 55.43 H new ATOM 944 N SER A 59 4.795 4.018 9.545 1.00 1.54 N ATOM 945 CA SER A 59 4.415 2.627 9.260 1.00 44.53 C ATOM 946 C SER A 59 3.075 2.352 9.931 1.00 24.12 C ATOM 947 O SER A 59 2.771 2.932 10.992 1.00 22.24 O ATOM 948 CB SER A 59 5.479 1.632 9.779 1.00 74.44 C ATOM 949 OG SER A 59 5.151 0.289 9.444 1.00 21.31 O ATOM 0 H SER A 59 5.145 4.167 10.491 1.00 1.54 H new ATOM 0 HA SER A 59 4.340 2.491 8.181 1.00 44.53 H new ATOM 0 HB2 SER A 59 6.451 1.885 9.356 1.00 74.44 H new ATOM 0 HB3 SER A 59 5.568 1.726 10.861 1.00 74.44 H new ATOM 0 HG SER A 59 5.845 -0.312 9.786 1.00 21.31 H new ATOM 955 N ILE A 60 2.276 1.485 9.302 1.00 73.04 N ATOM 956 CA ILE A 60 1.063 0.952 9.918 1.00 62.33 C ATOM 957 C ILE A 60 1.483 0.030 11.089 1.00 42.41 C ATOM 958 O ILE A 60 2.254 -0.917 10.856 1.00 31.04 O ATOM 959 CB ILE A 60 0.156 0.164 8.895 1.00 5.23 C ATOM 960 CG1 ILE A 60 -0.230 1.071 7.678 1.00 2.12 C ATOM 961 CG2 ILE A 60 -1.107 -0.396 9.604 1.00 22.42 C ATOM 962 CD1 ILE A 60 -1.395 0.577 6.849 1.00 12.13 C ATOM 0 H ILE A 60 2.452 1.137 8.360 1.00 73.04 H new ATOM 0 HA ILE A 60 0.461 1.787 10.277 1.00 62.33 H new ATOM 0 HB ILE A 60 0.727 -0.681 8.509 1.00 5.23 H new ATOM 0 HG12 ILE A 60 -0.466 2.068 8.049 1.00 2.12 H new ATOM 0 HG13 ILE A 60 0.640 1.170 7.029 1.00 2.12 H new ATOM 0 HG21 ILE A 60 -1.720 -0.936 8.882 1.00 22.42 H new ATOM 0 HG22 ILE A 60 -0.805 -1.073 10.403 1.00 22.42 H new ATOM 0 HG23 ILE A 60 -1.683 0.428 10.025 1.00 22.42 H new ATOM 0 HD11 ILE A 60 -1.582 1.274 6.032 1.00 12.13 H new ATOM 0 HD12 ILE A 60 -1.160 -0.406 6.440 1.00 12.13 H new ATOM 0 HD13 ILE A 60 -2.284 0.506 7.476 1.00 12.13 H new ATOM 974 N PRO A 61 1.030 0.321 12.363 1.00 41.52 N ATOM 975 CA PRO A 61 1.326 -0.535 13.542 1.00 43.14 C ATOM 976 C PRO A 61 0.780 -1.962 13.347 1.00 33.03 C ATOM 977 O PRO A 61 -0.225 -2.151 12.649 1.00 75.43 O ATOM 978 CB PRO A 61 0.618 0.197 14.718 1.00 40.21 C ATOM 979 CG PRO A 61 -0.382 1.103 14.074 1.00 51.42 C ATOM 980 CD PRO A 61 0.216 1.512 12.751 1.00 13.12 C ATOM 0 HA PRO A 61 2.395 -0.662 13.715 1.00 43.14 H new ATOM 0 HB2 PRO A 61 0.132 -0.513 15.387 1.00 40.21 H new ATOM 0 HB3 PRO A 61 1.332 0.762 15.317 1.00 40.21 H new ATOM 0 HG2 PRO A 61 -1.334 0.593 13.930 1.00 51.42 H new ATOM 0 HG3 PRO A 61 -0.578 1.974 14.699 1.00 51.42 H new ATOM 0 HD2 PRO A 61 -0.554 1.732 12.012 1.00 13.12 H new ATOM 0 HD3 PRO A 61 0.831 2.407 12.846 1.00 13.12 H new ATOM 988 N SER A 62 1.433 -2.944 13.993 1.00 43.03 N ATOM 989 CA SER A 62 1.152 -4.384 13.787 1.00 35.04 C ATOM 990 C SER A 62 -0.303 -4.784 14.150 1.00 32.22 C ATOM 991 O SER A 62 -0.831 -5.756 13.602 1.00 23.53 O ATOM 992 CB SER A 62 2.168 -5.242 14.561 1.00 2.43 C ATOM 993 OG SER A 62 3.498 -4.836 14.285 1.00 12.11 O ATOM 0 H SER A 62 2.171 -2.766 14.674 1.00 43.03 H new ATOM 0 HA SER A 62 1.259 -4.575 12.719 1.00 35.04 H new ATOM 0 HB2 SER A 62 1.975 -5.162 15.631 1.00 2.43 H new ATOM 0 HB3 SER A 62 2.042 -6.291 14.292 1.00 2.43 H new ATOM 0 HG SER A 62 4.123 -5.396 14.791 1.00 12.11 H new ATOM 999 N THR A 63 -0.940 -4.014 15.053 1.00 2.45 N ATOM 1000 CA THR A 63 -2.358 -4.212 15.428 1.00 11.51 C ATOM 1001 C THR A 63 -3.290 -3.748 14.289 1.00 4.40 C ATOM 1002 O THR A 63 -4.337 -4.339 14.056 1.00 22.24 O ATOM 1003 CB THR A 63 -2.715 -3.474 16.767 1.00 73.45 C ATOM 1004 OG1 THR A 63 -4.077 -3.745 17.140 1.00 71.12 O ATOM 1005 CG2 THR A 63 -2.492 -1.951 16.681 1.00 50.31 C ATOM 0 H THR A 63 -0.491 -3.240 15.542 1.00 2.45 H new ATOM 0 HA THR A 63 -2.508 -5.279 15.592 1.00 11.51 H new ATOM 0 HB THR A 63 -2.039 -3.861 17.530 1.00 73.45 H new ATOM 0 HG1 THR A 63 -4.286 -3.280 17.977 1.00 71.12 H new ATOM 0 HG21 THR A 63 -2.754 -1.491 17.634 1.00 50.31 H new ATOM 0 HG22 THR A 63 -1.445 -1.749 16.456 1.00 50.31 H new ATOM 0 HG23 THR A 63 -3.119 -1.535 15.892 1.00 50.31 H new ATOM 1013 N HIS A 64 -2.863 -2.695 13.566 1.00 64.52 N ATOM 1014 CA HIS A 64 -3.583 -2.162 12.389 1.00 50.32 C ATOM 1015 C HIS A 64 -3.202 -2.926 11.112 1.00 11.53 C ATOM 1016 O HIS A 64 -3.752 -2.644 10.041 1.00 62.24 O ATOM 1017 CB HIS A 64 -3.324 -0.634 12.240 1.00 33.24 C ATOM 1018 CG HIS A 64 -4.230 0.225 13.074 1.00 32.20 C ATOM 1019 ND1 HIS A 64 -4.054 0.431 14.418 1.00 32.42 N ATOM 1020 CD2 HIS A 64 -5.366 0.875 12.739 1.00 3.31 C ATOM 1021 CE1 HIS A 64 -5.046 1.162 14.875 1.00 62.53 C ATOM 1022 NE2 HIS A 64 -5.860 1.445 13.874 1.00 43.32 N ATOM 0 H HIS A 64 -2.005 -2.187 13.781 1.00 64.52 H new ATOM 0 HA HIS A 64 -4.652 -2.309 12.545 1.00 50.32 H new ATOM 0 HB2 HIS A 64 -2.290 -0.423 12.512 1.00 33.24 H new ATOM 0 HB3 HIS A 64 -3.441 -0.357 11.192 1.00 33.24 H new ATOM 0 HD2 HIS A 64 -5.802 0.932 11.753 1.00 3.31 H new ATOM 0 HE1 HIS A 64 -5.174 1.479 15.899 1.00 62.53 H new ATOM 0 HE2 HIS A 64 -6.715 1.997 13.940 1.00 43.32 H new ATOM 1031 N ILE A 65 -2.261 -3.888 11.212 1.00 5.31 N ATOM 1032 CA ILE A 65 -1.962 -4.784 10.092 1.00 23.35 C ATOM 1033 C ILE A 65 -3.098 -5.799 9.968 1.00 72.52 C ATOM 1034 O ILE A 65 -3.150 -6.801 10.691 1.00 34.24 O ATOM 1035 CB ILE A 65 -0.579 -5.514 10.220 1.00 52.13 C ATOM 1036 CG1 ILE A 65 0.571 -4.482 10.364 1.00 42.55 C ATOM 1037 CG2 ILE A 65 -0.331 -6.439 9.009 1.00 62.14 C ATOM 1038 CD1 ILE A 65 0.694 -3.503 9.225 1.00 52.13 C ATOM 0 H ILE A 65 -1.705 -4.058 12.050 1.00 5.31 H new ATOM 0 HA ILE A 65 -1.884 -4.175 9.192 1.00 23.35 H new ATOM 0 HB ILE A 65 -0.603 -6.131 11.118 1.00 52.13 H new ATOM 0 HG12 ILE A 65 0.425 -3.924 11.289 1.00 42.55 H new ATOM 0 HG13 ILE A 65 1.513 -5.022 10.463 1.00 42.55 H new ATOM 0 HG21 ILE A 65 0.634 -6.934 9.121 1.00 62.14 H new ATOM 0 HG22 ILE A 65 -1.120 -7.189 8.957 1.00 62.14 H new ATOM 0 HG23 ILE A 65 -0.332 -5.848 8.093 1.00 62.14 H new ATOM 0 HD11 ILE A 65 1.525 -2.824 9.417 1.00 52.13 H new ATOM 0 HD12 ILE A 65 0.876 -4.045 8.297 1.00 52.13 H new ATOM 0 HD13 ILE A 65 -0.229 -2.931 9.136 1.00 52.13 H new ATOM 1050 N THR A 66 -4.039 -5.452 9.101 1.00 70.14 N ATOM 1051 CA THR A 66 -5.171 -6.281 8.739 1.00 20.31 C ATOM 1052 C THR A 66 -5.565 -5.938 7.305 1.00 50.23 C ATOM 1053 O THR A 66 -5.286 -4.827 6.823 1.00 10.23 O ATOM 1054 CB THR A 66 -6.378 -6.068 9.717 1.00 24.34 C ATOM 1055 OG1 THR A 66 -7.533 -6.816 9.286 1.00 61.31 O ATOM 1056 CG2 THR A 66 -6.755 -4.584 9.864 1.00 62.01 C ATOM 0 H THR A 66 -4.031 -4.555 8.616 1.00 70.14 H new ATOM 0 HA THR A 66 -4.893 -7.332 8.813 1.00 20.31 H new ATOM 0 HB THR A 66 -6.053 -6.433 10.691 1.00 24.34 H new ATOM 0 HG1 THR A 66 -8.271 -6.668 9.913 1.00 61.31 H new ATOM 0 HG21 THR A 66 -7.596 -4.489 10.551 1.00 62.01 H new ATOM 0 HG22 THR A 66 -5.902 -4.029 10.255 1.00 62.01 H new ATOM 0 HG23 THR A 66 -7.035 -4.181 8.890 1.00 62.01 H new ATOM 1064 N GLY A 67 -6.245 -6.879 6.647 1.00 61.23 N ATOM 1065 CA GLY A 67 -6.632 -6.730 5.254 1.00 24.20 C ATOM 1066 C GLY A 67 -7.563 -5.542 4.999 1.00 31.53 C ATOM 1067 O GLY A 67 -7.578 -5.005 3.901 1.00 61.41 O ATOM 0 H GLY A 67 -6.539 -7.760 7.068 1.00 61.23 H new ATOM 0 HA2 GLY A 67 -5.734 -6.614 4.647 1.00 24.20 H new ATOM 0 HA3 GLY A 67 -7.125 -7.644 4.923 1.00 24.20 H new ATOM 1071 N LYS A 68 -8.316 -5.136 6.036 1.00 22.11 N ATOM 1072 CA LYS A 68 -9.231 -3.979 5.998 1.00 71.13 C ATOM 1073 C LYS A 68 -8.549 -2.695 5.463 1.00 23.01 C ATOM 1074 O LYS A 68 -9.117 -1.953 4.655 1.00 71.14 O ATOM 1075 CB LYS A 68 -9.760 -3.733 7.430 1.00 13.44 C ATOM 1076 CG LYS A 68 -10.729 -2.545 7.566 1.00 70.42 C ATOM 1077 CD LYS A 68 -11.195 -2.313 9.020 1.00 51.25 C ATOM 1078 CE LYS A 68 -11.800 -3.567 9.669 1.00 4.42 C ATOM 1079 NZ LYS A 68 -12.895 -4.158 8.857 1.00 60.14 N ATOM 0 H LYS A 68 -8.307 -5.609 6.939 1.00 22.11 H new ATOM 0 HA LYS A 68 -10.045 -4.210 5.311 1.00 71.13 H new ATOM 0 HB2 LYS A 68 -10.264 -4.636 7.776 1.00 13.44 H new ATOM 0 HB3 LYS A 68 -8.910 -3.568 8.093 1.00 13.44 H new ATOM 0 HG2 LYS A 68 -10.243 -1.642 7.197 1.00 70.42 H new ATOM 0 HG3 LYS A 68 -11.600 -2.719 6.934 1.00 70.42 H new ATOM 0 HD2 LYS A 68 -10.348 -1.976 9.617 1.00 51.25 H new ATOM 0 HD3 LYS A 68 -11.934 -1.512 9.034 1.00 51.25 H new ATOM 0 HE2 LYS A 68 -11.017 -4.311 9.813 1.00 4.42 H new ATOM 0 HE3 LYS A 68 -12.182 -3.312 10.657 1.00 4.42 H new ATOM 0 HZ1 LYS A 68 -13.347 -4.927 9.391 1.00 60.14 H new ATOM 0 HZ2 LYS A 68 -13.601 -3.425 8.640 1.00 60.14 H new ATOM 0 HZ3 LYS A 68 -12.505 -4.536 7.970 1.00 60.14 H new ATOM 1093 N TYR A 69 -7.323 -2.464 5.929 1.00 50.30 N ATOM 1094 CA TYR A 69 -6.536 -1.265 5.594 1.00 44.41 C ATOM 1095 C TYR A 69 -5.616 -1.500 4.388 1.00 74.33 C ATOM 1096 O TYR A 69 -4.997 -0.559 3.890 1.00 43.24 O ATOM 1097 CB TYR A 69 -5.724 -0.839 6.831 1.00 72.15 C ATOM 1098 CG TYR A 69 -6.605 -0.499 8.057 1.00 71.43 C ATOM 1099 CD1 TYR A 69 -7.578 0.504 7.994 1.00 1.31 C ATOM 1100 CD2 TYR A 69 -6.481 -1.192 9.256 1.00 4.13 C ATOM 1101 CE1 TYR A 69 -8.375 0.808 9.079 1.00 64.43 C ATOM 1102 CE2 TYR A 69 -7.278 -0.899 10.341 1.00 24.30 C ATOM 1103 CZ TYR A 69 -8.220 0.101 10.250 1.00 71.13 C ATOM 1104 OH TYR A 69 -9.007 0.398 11.335 1.00 24.33 O ATOM 0 H TYR A 69 -6.838 -3.106 6.556 1.00 50.30 H new ATOM 0 HA TYR A 69 -7.221 -0.466 5.310 1.00 44.41 H new ATOM 0 HB2 TYR A 69 -5.036 -1.641 7.099 1.00 72.15 H new ATOM 0 HB3 TYR A 69 -5.117 0.030 6.577 1.00 72.15 H new ATOM 0 HD1 TYR A 69 -7.709 1.054 7.074 1.00 1.31 H new ATOM 0 HD2 TYR A 69 -5.744 -1.977 9.339 1.00 4.13 H new ATOM 0 HE1 TYR A 69 -9.113 1.593 9.010 1.00 64.43 H new ATOM 0 HE2 TYR A 69 -7.164 -1.453 11.261 1.00 24.30 H new ATOM 0 HH TYR A 69 -8.772 -0.193 12.081 1.00 24.33 H new ATOM 1114 N PHE A 70 -5.538 -2.758 3.925 1.00 41.42 N ATOM 1115 CA PHE A 70 -4.661 -3.173 2.805 1.00 25.24 C ATOM 1116 C PHE A 70 -5.469 -3.808 1.654 1.00 40.13 C ATOM 1117 O PHE A 70 -4.886 -4.489 0.816 1.00 33.22 O ATOM 1118 CB PHE A 70 -3.603 -4.191 3.311 1.00 32.34 C ATOM 1119 CG PHE A 70 -2.476 -3.603 4.169 1.00 33.04 C ATOM 1120 CD1 PHE A 70 -1.318 -3.097 3.569 1.00 42.44 C ATOM 1121 CD2 PHE A 70 -2.551 -3.602 5.560 1.00 4.13 C ATOM 1122 CE1 PHE A 70 -0.273 -2.615 4.334 1.00 33.34 C ATOM 1123 CE2 PHE A 70 -1.514 -3.115 6.323 1.00 40.02 C ATOM 1124 CZ PHE A 70 -0.370 -2.629 5.711 1.00 24.32 C ATOM 0 H PHE A 70 -6.084 -3.526 4.317 1.00 41.42 H new ATOM 0 HA PHE A 70 -4.168 -2.279 2.424 1.00 25.24 H new ATOM 0 HB2 PHE A 70 -4.113 -4.960 3.891 1.00 32.34 H new ATOM 0 HB3 PHE A 70 -3.158 -4.685 2.447 1.00 32.34 H new ATOM 0 HD1 PHE A 70 -1.240 -3.083 2.492 1.00 42.44 H new ATOM 0 HD2 PHE A 70 -3.435 -3.988 6.046 1.00 4.13 H new ATOM 0 HE1 PHE A 70 0.616 -2.229 3.857 1.00 33.34 H new ATOM 0 HE2 PHE A 70 -1.592 -3.112 7.400 1.00 40.02 H new ATOM 0 HZ PHE A 70 0.448 -2.260 6.313 1.00 24.32 H new ATOM 1134 N LYS A 71 -6.797 -3.579 1.608 1.00 51.43 N ATOM 1135 CA LYS A 71 -7.687 -4.182 0.567 1.00 51.32 C ATOM 1136 C LYS A 71 -7.163 -3.945 -0.856 1.00 61.50 C ATOM 1137 O LYS A 71 -7.132 -4.858 -1.684 1.00 42.44 O ATOM 1138 CB LYS A 71 -9.108 -3.609 0.677 1.00 23.24 C ATOM 1139 CG LYS A 71 -9.855 -3.969 1.972 1.00 14.43 C ATOM 1140 CD LYS A 71 -11.244 -3.304 2.040 1.00 33.33 C ATOM 1141 CE LYS A 71 -11.162 -1.771 1.944 1.00 71.24 C ATOM 1142 NZ LYS A 71 -12.496 -1.122 1.981 1.00 21.11 N ATOM 0 H LYS A 71 -7.287 -2.982 2.275 1.00 51.43 H new ATOM 0 HA LYS A 71 -7.700 -5.256 0.752 1.00 51.32 H new ATOM 0 HB2 LYS A 71 -9.053 -2.523 0.597 1.00 23.24 H new ATOM 0 HB3 LYS A 71 -9.693 -3.962 -0.172 1.00 23.24 H new ATOM 0 HG2 LYS A 71 -9.967 -5.051 2.037 1.00 14.43 H new ATOM 0 HG3 LYS A 71 -9.261 -3.658 2.832 1.00 14.43 H new ATOM 0 HD2 LYS A 71 -11.866 -3.684 1.230 1.00 33.33 H new ATOM 0 HD3 LYS A 71 -11.732 -3.582 2.974 1.00 33.33 H new ATOM 0 HE2 LYS A 71 -10.555 -1.392 2.766 1.00 71.24 H new ATOM 0 HE3 LYS A 71 -10.654 -1.496 1.020 1.00 71.24 H new ATOM 0 HZ1 LYS A 71 -12.382 -0.090 1.913 1.00 21.11 H new ATOM 0 HZ2 LYS A 71 -13.069 -1.460 1.182 1.00 21.11 H new ATOM 0 HZ3 LYS A 71 -12.973 -1.360 2.874 1.00 21.11 H new ATOM 1156 N ASP A 72 -6.723 -2.708 -1.083 1.00 3.23 N ATOM 1157 CA ASP A 72 -6.296 -2.207 -2.389 1.00 54.10 C ATOM 1158 C ASP A 72 -5.449 -0.951 -2.156 1.00 32.12 C ATOM 1159 O ASP A 72 -4.869 -0.793 -1.072 1.00 50.10 O ATOM 1160 CB ASP A 72 -7.549 -1.913 -3.266 1.00 33.50 C ATOM 1161 CG ASP A 72 -8.391 -0.730 -2.763 1.00 65.43 C ATOM 1162 OD1 ASP A 72 -8.858 -0.754 -1.608 1.00 53.34 O ATOM 1163 OD2 ASP A 72 -8.602 0.222 -3.524 1.00 52.44 O ATOM 0 H ASP A 72 -6.652 -2.008 -0.344 1.00 3.23 H new ATOM 0 HA ASP A 72 -5.694 -2.943 -2.922 1.00 54.10 H new ATOM 0 HB2 ASP A 72 -7.227 -1.710 -4.287 1.00 33.50 H new ATOM 0 HB3 ASP A 72 -8.175 -2.805 -3.300 1.00 33.50 H new ATOM 1168 N LEU A 73 -5.346 -0.069 -3.164 1.00 5.05 N ATOM 1169 CA LEU A 73 -4.662 1.215 -2.993 1.00 22.05 C ATOM 1170 C LEU A 73 -5.505 2.143 -2.124 1.00 44.54 C ATOM 1171 O LEU A 73 -5.005 2.653 -1.140 1.00 52.14 O ATOM 1172 CB LEU A 73 -4.357 1.922 -4.326 1.00 23.31 C ATOM 1173 CG LEU A 73 -3.632 3.299 -4.183 1.00 15.11 C ATOM 1174 CD1 LEU A 73 -2.259 3.138 -3.489 1.00 71.34 C ATOM 1175 CD2 LEU A 73 -3.500 4.003 -5.541 1.00 35.44 C ATOM 0 H LEU A 73 -5.726 -0.224 -4.098 1.00 5.05 H new ATOM 0 HA LEU A 73 -3.709 0.993 -2.514 1.00 22.05 H new ATOM 0 HB2 LEU A 73 -3.740 1.264 -4.938 1.00 23.31 H new ATOM 0 HB3 LEU A 73 -5.293 2.073 -4.864 1.00 23.31 H new ATOM 0 HG LEU A 73 -4.247 3.935 -3.546 1.00 15.11 H new ATOM 0 HD11 LEU A 73 -1.778 4.112 -3.403 1.00 71.34 H new ATOM 0 HD12 LEU A 73 -2.401 2.715 -2.495 1.00 71.34 H new ATOM 0 HD13 LEU A 73 -1.629 2.473 -4.079 1.00 71.34 H new ATOM 0 HD21 LEU A 73 -2.992 4.958 -5.408 1.00 35.44 H new ATOM 0 HD22 LEU A 73 -2.923 3.376 -6.221 1.00 35.44 H new ATOM 0 HD23 LEU A 73 -4.492 4.175 -5.959 1.00 35.44 H new ATOM 1187 N ASN A 74 -6.783 2.321 -2.510 1.00 15.12 N ATOM 1188 CA ASN A 74 -7.724 3.263 -1.851 1.00 14.14 C ATOM 1189 C ASN A 74 -7.819 3.024 -0.341 1.00 11.51 C ATOM 1190 O ASN A 74 -7.857 3.981 0.425 1.00 45.15 O ATOM 1191 CB ASN A 74 -9.133 3.178 -2.484 1.00 14.05 C ATOM 1192 CG ASN A 74 -9.190 3.752 -3.896 1.00 2.13 C ATOM 1193 OD1 ASN A 74 -9.417 4.951 -4.067 1.00 52.05 O ATOM 1194 ND2 ASN A 74 -8.969 2.928 -4.915 1.00 33.55 N ATOM 0 H ASN A 74 -7.199 1.815 -3.292 1.00 15.12 H new ATOM 0 HA ASN A 74 -7.322 4.264 -2.009 1.00 14.14 H new ATOM 0 HB2 ASN A 74 -9.451 2.136 -2.509 1.00 14.05 H new ATOM 0 HB3 ASN A 74 -9.842 3.713 -1.852 1.00 14.05 H new ATOM 0 HD21 ASN A 74 -8.985 3.283 -5.871 1.00 33.55 H new ATOM 0 HD22 ASN A 74 -8.784 1.940 -4.741 1.00 33.55 H new ATOM 1201 N ALA A 75 -7.830 1.738 0.059 1.00 73.11 N ATOM 1202 CA ALA A 75 -7.795 1.333 1.481 1.00 2.11 C ATOM 1203 C ALA A 75 -6.592 1.975 2.207 1.00 21.13 C ATOM 1204 O ALA A 75 -6.752 2.643 3.223 1.00 43.03 O ATOM 1205 CB ALA A 75 -7.747 -0.196 1.589 1.00 12.33 C ATOM 0 H ALA A 75 -7.863 0.952 -0.590 1.00 73.11 H new ATOM 0 HA ALA A 75 -8.703 1.688 1.967 1.00 2.11 H new ATOM 0 HB1 ALA A 75 -7.721 -0.486 2.639 1.00 12.33 H new ATOM 0 HB2 ALA A 75 -8.632 -0.622 1.116 1.00 12.33 H new ATOM 0 HB3 ALA A 75 -6.853 -0.568 1.088 1.00 12.33 H new ATOM 1211 N ILE A 76 -5.408 1.798 1.607 1.00 21.42 N ATOM 1212 CA ILE A 76 -4.127 2.335 2.119 1.00 1.33 C ATOM 1213 C ILE A 76 -4.093 3.863 2.017 1.00 13.31 C ATOM 1214 O ILE A 76 -3.585 4.513 2.913 1.00 23.51 O ATOM 1215 CB ILE A 76 -2.916 1.712 1.328 1.00 54.42 C ATOM 1216 CG1 ILE A 76 -2.896 0.169 1.523 1.00 61.21 C ATOM 1217 CG2 ILE A 76 -1.558 2.342 1.749 1.00 23.24 C ATOM 1218 CD1 ILE A 76 -1.837 -0.566 0.727 1.00 53.01 C ATOM 0 H ILE A 76 -5.304 1.271 0.740 1.00 21.42 H new ATOM 0 HA ILE A 76 -4.042 2.060 3.170 1.00 1.33 H new ATOM 0 HB ILE A 76 -3.054 1.937 0.270 1.00 54.42 H new ATOM 0 HG12 ILE A 76 -2.747 -0.046 2.581 1.00 61.21 H new ATOM 0 HG13 ILE A 76 -3.874 -0.229 1.251 1.00 61.21 H new ATOM 0 HG21 ILE A 76 -0.751 1.882 1.178 1.00 23.24 H new ATOM 0 HG22 ILE A 76 -1.577 3.414 1.552 1.00 23.24 H new ATOM 0 HG23 ILE A 76 -1.392 2.172 2.813 1.00 23.24 H new ATOM 0 HD11 ILE A 76 -1.905 -1.635 0.931 1.00 53.01 H new ATOM 0 HD12 ILE A 76 -1.994 -0.389 -0.337 1.00 53.01 H new ATOM 0 HD13 ILE A 76 -0.850 -0.204 1.014 1.00 53.01 H new ATOM 1230 N SER A 77 -4.688 4.415 0.943 1.00 61.15 N ATOM 1231 CA SER A 77 -4.657 5.863 0.653 1.00 32.32 C ATOM 1232 C SER A 77 -5.458 6.643 1.705 1.00 14.33 C ATOM 1233 O SER A 77 -5.140 7.788 2.020 1.00 22.11 O ATOM 1234 CB SER A 77 -5.216 6.135 -0.758 1.00 24.20 C ATOM 1235 OG SER A 77 -4.547 5.354 -1.732 1.00 40.35 O ATOM 0 H SER A 77 -5.204 3.871 0.251 1.00 61.15 H new ATOM 0 HA SER A 77 -3.622 6.201 0.691 1.00 32.32 H new ATOM 0 HB2 SER A 77 -6.283 5.912 -0.779 1.00 24.20 H new ATOM 0 HB3 SER A 77 -5.107 7.193 -0.998 1.00 24.20 H new ATOM 0 HG SER A 77 -4.665 4.403 -1.526 1.00 40.35 H new ATOM 1241 N ARG A 78 -6.496 5.991 2.243 1.00 53.33 N ATOM 1242 CA ARG A 78 -7.330 6.556 3.310 1.00 72.23 C ATOM 1243 C ARG A 78 -6.644 6.381 4.661 1.00 64.01 C ATOM 1244 O ARG A 78 -6.524 7.339 5.429 1.00 41.44 O ATOM 1245 CB ARG A 78 -8.726 5.884 3.319 1.00 1.44 C ATOM 1246 CG ARG A 78 -9.545 6.103 2.034 1.00 25.23 C ATOM 1247 CD ARG A 78 -9.768 7.586 1.706 1.00 5.43 C ATOM 1248 NE ARG A 78 -10.542 7.766 0.469 1.00 60.53 N ATOM 1249 CZ ARG A 78 -10.878 8.947 -0.059 1.00 11.41 C ATOM 1250 NH1 ARG A 78 -10.511 10.079 0.530 1.00 74.00 N ATOM 1251 NH2 ARG A 78 -11.596 8.989 -1.166 1.00 61.03 N ATOM 0 H ARG A 78 -6.781 5.056 1.950 1.00 53.33 H new ATOM 0 HA ARG A 78 -7.464 7.621 3.122 1.00 72.23 H new ATOM 0 HB2 ARG A 78 -8.599 4.813 3.477 1.00 1.44 H new ATOM 0 HB3 ARG A 78 -9.294 6.266 4.167 1.00 1.44 H new ATOM 0 HG2 ARG A 78 -9.033 5.625 1.199 1.00 25.23 H new ATOM 0 HG3 ARG A 78 -10.512 5.611 2.139 1.00 25.23 H new ATOM 0 HD2 ARG A 78 -10.290 8.066 2.534 1.00 5.43 H new ATOM 0 HD3 ARG A 78 -8.804 8.084 1.606 1.00 5.43 H new ATOM 0 HE ARG A 78 -10.846 6.926 -0.024 1.00 60.53 H new ATOM 0 HH11 ARG A 78 -9.968 10.052 1.393 1.00 74.00 H new ATOM 0 HH12 ARG A 78 -10.772 10.975 0.119 1.00 74.00 H new ATOM 0 HH21 ARG A 78 -11.892 8.122 -1.615 1.00 61.03 H new ATOM 0 HH22 ARG A 78 -11.855 9.888 -1.572 1.00 61.03 H new ATOM 1265 N THR A 79 -6.161 5.152 4.900 1.00 45.13 N ATOM 1266 CA THR A 79 -5.543 4.755 6.178 1.00 21.32 C ATOM 1267 C THR A 79 -4.280 5.570 6.476 1.00 13.42 C ATOM 1268 O THR A 79 -4.096 6.030 7.597 1.00 52.11 O ATOM 1269 CB THR A 79 -5.196 3.234 6.191 1.00 20.22 C ATOM 1270 OG1 THR A 79 -6.387 2.485 5.918 1.00 64.52 O ATOM 1271 CG2 THR A 79 -4.612 2.776 7.545 1.00 74.24 C ATOM 0 H THR A 79 -6.188 4.401 4.210 1.00 45.13 H new ATOM 0 HA THR A 79 -6.278 4.959 6.956 1.00 21.32 H new ATOM 0 HB THR A 79 -4.437 3.059 5.429 1.00 20.22 H new ATOM 0 HG1 THR A 79 -6.636 2.598 4.977 1.00 64.52 H new ATOM 0 HG21 THR A 79 -4.387 1.710 7.502 1.00 74.24 H new ATOM 0 HG22 THR A 79 -3.698 3.332 7.754 1.00 74.24 H new ATOM 0 HG23 THR A 79 -5.338 2.962 8.336 1.00 74.24 H new ATOM 1279 N VAL A 80 -3.448 5.774 5.447 1.00 11.22 N ATOM 1280 CA VAL A 80 -2.149 6.457 5.584 1.00 40.43 C ATOM 1281 C VAL A 80 -2.366 7.930 5.990 1.00 21.33 C ATOM 1282 O VAL A 80 -1.593 8.483 6.773 1.00 74.44 O ATOM 1283 CB VAL A 80 -1.282 6.336 4.266 1.00 71.35 C ATOM 1284 CG1 VAL A 80 -1.875 7.131 3.075 1.00 22.02 C ATOM 1285 CG2 VAL A 80 0.179 6.747 4.522 1.00 30.24 C ATOM 0 H VAL A 80 -3.653 5.471 4.495 1.00 11.22 H new ATOM 0 HA VAL A 80 -1.584 5.963 6.374 1.00 40.43 H new ATOM 0 HB VAL A 80 -1.305 5.284 3.982 1.00 71.35 H new ATOM 0 HG11 VAL A 80 -1.235 7.008 2.201 1.00 22.02 H new ATOM 0 HG12 VAL A 80 -2.874 6.757 2.849 1.00 22.02 H new ATOM 0 HG13 VAL A 80 -1.934 8.188 3.336 1.00 22.02 H new ATOM 0 HG21 VAL A 80 0.750 6.654 3.598 1.00 30.24 H new ATOM 0 HG22 VAL A 80 0.211 7.781 4.866 1.00 30.24 H new ATOM 0 HG23 VAL A 80 0.611 6.098 5.283 1.00 30.24 H new ATOM 1295 N GLU A 81 -3.464 8.530 5.483 1.00 23.34 N ATOM 1296 CA GLU A 81 -3.883 9.891 5.859 1.00 25.24 C ATOM 1297 C GLU A 81 -4.368 9.932 7.311 1.00 62.04 C ATOM 1298 O GLU A 81 -4.086 10.891 8.022 1.00 23.13 O ATOM 1299 CB GLU A 81 -4.993 10.403 4.911 1.00 32.23 C ATOM 1300 CG GLU A 81 -4.550 10.601 3.452 1.00 74.31 C ATOM 1301 CD GLU A 81 -3.424 11.639 3.290 1.00 62.14 C ATOM 1302 OE1 GLU A 81 -3.658 12.838 3.579 1.00 54.44 O ATOM 1303 OE2 GLU A 81 -2.298 11.269 2.900 1.00 4.31 O ATOM 0 H GLU A 81 -4.081 8.084 4.804 1.00 23.34 H new ATOM 0 HA GLU A 81 -3.016 10.546 5.767 1.00 25.24 H new ATOM 0 HB2 GLU A 81 -5.824 9.698 4.932 1.00 32.23 H new ATOM 0 HB3 GLU A 81 -5.370 11.351 5.294 1.00 32.23 H new ATOM 0 HG2 GLU A 81 -4.214 9.646 3.049 1.00 74.31 H new ATOM 0 HG3 GLU A 81 -5.409 10.913 2.858 1.00 74.31 H new ATOM 1310 N GLN A 82 -5.085 8.871 7.734 1.00 55.04 N ATOM 1311 CA GLN A 82 -5.581 8.732 9.128 1.00 41.51 C ATOM 1312 C GLN A 82 -4.408 8.688 10.110 1.00 54.41 C ATOM 1313 O GLN A 82 -4.420 9.366 11.135 1.00 4.43 O ATOM 1314 CB GLN A 82 -6.440 7.445 9.304 1.00 61.20 C ATOM 1315 CG GLN A 82 -7.725 7.414 8.462 1.00 70.44 C ATOM 1316 CD GLN A 82 -8.737 8.510 8.828 1.00 13.30 C ATOM 1317 OE1 GLN A 82 -8.820 8.945 9.982 1.00 71.31 O ATOM 1318 NE2 GLN A 82 -9.523 8.957 7.861 1.00 32.43 N ATOM 0 H GLN A 82 -5.337 8.090 7.129 1.00 55.04 H new ATOM 0 HA GLN A 82 -6.206 9.600 9.337 1.00 41.51 H new ATOM 0 HB2 GLN A 82 -5.831 6.579 9.045 1.00 61.20 H new ATOM 0 HB3 GLN A 82 -6.708 7.344 10.356 1.00 61.20 H new ATOM 0 HG2 GLN A 82 -7.460 7.515 7.409 1.00 70.44 H new ATOM 0 HG3 GLN A 82 -8.201 6.440 8.579 1.00 70.44 H new ATOM 0 HE21 GLN A 82 -9.434 8.581 6.917 1.00 32.43 H new ATOM 0 HE22 GLN A 82 -10.217 9.677 8.060 1.00 32.43 H new ATOM 1327 N LEU A 83 -3.389 7.895 9.746 1.00 43.41 N ATOM 1328 CA LEU A 83 -2.196 7.682 10.578 1.00 1.34 C ATOM 1329 C LEU A 83 -1.409 8.978 10.754 1.00 70.41 C ATOM 1330 O LEU A 83 -0.976 9.287 11.848 1.00 11.15 O ATOM 1331 CB LEU A 83 -1.290 6.585 9.978 1.00 31.25 C ATOM 1332 CG LEU A 83 -1.956 5.198 9.736 1.00 24.30 C ATOM 1333 CD1 LEU A 83 -0.943 4.208 9.157 1.00 12.00 C ATOM 1334 CD2 LEU A 83 -2.612 4.627 11.010 1.00 73.44 C ATOM 0 H LEU A 83 -3.369 7.382 8.864 1.00 43.41 H new ATOM 0 HA LEU A 83 -2.536 7.351 11.559 1.00 1.34 H new ATOM 0 HB2 LEU A 83 -0.898 6.947 9.028 1.00 31.25 H new ATOM 0 HB3 LEU A 83 -0.437 6.444 10.642 1.00 31.25 H new ATOM 0 HG LEU A 83 -2.755 5.350 9.011 1.00 24.30 H new ATOM 0 HD11 LEU A 83 -1.427 3.245 8.995 1.00 12.00 H new ATOM 0 HD12 LEU A 83 -0.564 4.588 8.208 1.00 12.00 H new ATOM 0 HD13 LEU A 83 -0.115 4.085 9.855 1.00 12.00 H new ATOM 0 HD21 LEU A 83 -3.061 3.660 10.786 1.00 73.44 H new ATOM 0 HD22 LEU A 83 -1.856 4.505 11.785 1.00 73.44 H new ATOM 0 HD23 LEU A 83 -3.383 5.313 11.361 1.00 73.44 H new ATOM 1346 N LYS A 84 -1.253 9.742 9.665 1.00 50.53 N ATOM 1347 CA LYS A 84 -0.530 11.031 9.706 1.00 2.30 C ATOM 1348 C LYS A 84 -1.372 12.127 10.381 1.00 2.13 C ATOM 1349 O LYS A 84 -0.818 13.079 10.918 1.00 63.20 O ATOM 1350 CB LYS A 84 -0.099 11.450 8.284 1.00 32.10 C ATOM 1351 CG LYS A 84 0.889 10.465 7.631 1.00 73.31 C ATOM 1352 CD LYS A 84 1.315 10.850 6.197 1.00 13.23 C ATOM 1353 CE LYS A 84 0.151 10.831 5.190 1.00 3.24 C ATOM 1354 NZ LYS A 84 -0.650 12.083 5.204 1.00 40.42 N ATOM 0 H LYS A 84 -1.615 9.495 8.744 1.00 50.53 H new ATOM 0 HA LYS A 84 0.367 10.898 10.310 1.00 2.30 H new ATOM 0 HB2 LYS A 84 -0.984 11.536 7.654 1.00 32.10 H new ATOM 0 HB3 LYS A 84 0.359 12.438 8.327 1.00 32.10 H new ATOM 0 HG2 LYS A 84 1.780 10.394 8.255 1.00 73.31 H new ATOM 0 HG3 LYS A 84 0.435 9.474 7.609 1.00 73.31 H new ATOM 0 HD2 LYS A 84 1.757 11.846 6.212 1.00 13.23 H new ATOM 0 HD3 LYS A 84 2.090 10.162 5.859 1.00 13.23 H new ATOM 0 HE2 LYS A 84 0.548 10.671 4.187 1.00 3.24 H new ATOM 0 HE3 LYS A 84 -0.501 9.987 5.413 1.00 3.24 H new ATOM 0 HZ1 LYS A 84 -0.919 12.334 4.231 1.00 40.42 H new ATOM 0 HZ2 LYS A 84 -1.508 11.940 5.775 1.00 40.42 H new ATOM 0 HZ3 LYS A 84 -0.084 12.852 5.616 1.00 40.42 H new ATOM 1368 N ALA A 85 -2.705 11.973 10.367 1.00 15.42 N ATOM 1369 CA ALA A 85 -3.626 12.924 11.020 1.00 3.11 C ATOM 1370 C ALA A 85 -3.588 12.773 12.551 1.00 64.31 C ATOM 1371 O ALA A 85 -3.585 13.766 13.281 1.00 2.31 O ATOM 1372 CB ALA A 85 -5.058 12.726 10.488 1.00 32.33 C ATOM 0 H ALA A 85 -3.175 11.193 9.907 1.00 15.42 H new ATOM 0 HA ALA A 85 -3.300 13.936 10.779 1.00 3.11 H new ATOM 0 HB1 ALA A 85 -5.729 13.433 10.977 1.00 32.33 H new ATOM 0 HB2 ALA A 85 -5.073 12.896 9.412 1.00 32.33 H new ATOM 0 HB3 ALA A 85 -5.387 11.708 10.699 1.00 32.33 H new ATOM 1378 N GLU A 86 -3.571 11.514 13.022 1.00 60.13 N ATOM 1379 CA GLU A 86 -3.630 11.187 14.461 1.00 5.21 C ATOM 1380 C GLU A 86 -2.234 11.167 15.111 1.00 31.41 C ATOM 1381 O GLU A 86 -2.030 11.720 16.203 1.00 72.32 O ATOM 1382 CB GLU A 86 -4.341 9.823 14.644 1.00 11.13 C ATOM 1383 CG GLU A 86 -5.768 9.768 14.064 1.00 51.25 C ATOM 1384 CD GLU A 86 -6.471 8.424 14.322 1.00 51.21 C ATOM 1385 OE1 GLU A 86 -7.087 8.265 15.404 1.00 11.45 O ATOM 1386 OE2 GLU A 86 -6.396 7.518 13.461 1.00 2.22 O ATOM 0 H GLU A 86 -3.516 10.694 12.418 1.00 60.13 H new ATOM 0 HA GLU A 86 -4.197 11.969 14.966 1.00 5.21 H new ATOM 0 HB2 GLU A 86 -3.739 9.047 14.171 1.00 11.13 H new ATOM 0 HB3 GLU A 86 -4.385 9.589 15.708 1.00 11.13 H new ATOM 0 HG2 GLU A 86 -6.362 10.572 14.499 1.00 51.25 H new ATOM 0 HG3 GLU A 86 -5.725 9.949 12.990 1.00 51.25 H new ATOM 1393 N SER A 87 -1.280 10.521 14.433 1.00 40.42 N ATOM 1394 CA SER A 87 0.085 10.302 14.955 1.00 11.41 C ATOM 1395 C SER A 87 1.006 11.507 14.663 1.00 22.25 C ATOM 1396 O SER A 87 2.080 11.616 15.262 1.00 64.43 O ATOM 1397 CB SER A 87 0.677 8.985 14.379 1.00 44.34 C ATOM 1398 OG SER A 87 1.949 8.693 14.922 1.00 74.21 O ATOM 0 H SER A 87 -1.427 10.131 13.502 1.00 40.42 H new ATOM 0 HA SER A 87 0.022 10.206 16.039 1.00 11.41 H new ATOM 0 HB2 SER A 87 -0.004 8.160 14.588 1.00 44.34 H new ATOM 0 HB3 SER A 87 0.756 9.067 13.295 1.00 44.34 H new ATOM 0 HG SER A 87 2.406 9.529 15.153 1.00 74.21 H new ATOM 1404 N ALA A 88 0.596 12.394 13.741 1.00 51.21 N ATOM 1405 CA ALA A 88 1.350 13.629 13.414 1.00 20.34 C ATOM 1406 C ALA A 88 0.405 14.825 13.321 1.00 1.54 C ATOM 1407 O ALA A 88 -0.810 14.693 13.478 1.00 30.35 O ATOM 1408 CB ALA A 88 2.136 13.446 12.103 1.00 31.03 C ATOM 0 H ALA A 88 -0.262 12.282 13.201 1.00 51.21 H new ATOM 0 HA ALA A 88 2.063 13.824 14.215 1.00 20.34 H new ATOM 0 HB1 ALA A 88 2.684 14.361 11.877 1.00 31.03 H new ATOM 0 HB2 ALA A 88 2.838 12.620 12.212 1.00 31.03 H new ATOM 0 HB3 ALA A 88 1.443 13.228 11.291 1.00 31.03 H new ATOM 1414 N LEU A 89 0.989 15.997 13.071 1.00 64.53 N ATOM 1415 CA LEU A 89 0.267 17.264 12.891 1.00 2.44 C ATOM 1416 C LEU A 89 0.609 17.893 11.528 1.00 72.15 C ATOM 1417 O LEU A 89 0.054 18.933 11.161 1.00 62.33 O ATOM 1418 CB LEU A 89 0.545 18.232 14.114 1.00 30.14 C ATOM 1419 CG LEU A 89 2.004 18.813 14.395 1.00 40.42 C ATOM 1420 CD1 LEU A 89 3.128 17.745 14.318 1.00 5.12 C ATOM 1421 CD2 LEU A 89 2.337 20.054 13.502 1.00 52.11 C ATOM 0 H LEU A 89 2.000 16.098 12.985 1.00 64.53 H new ATOM 0 HA LEU A 89 -0.806 17.074 12.880 1.00 2.44 H new ATOM 0 HB2 LEU A 89 -0.121 19.087 14.001 1.00 30.14 H new ATOM 0 HB3 LEU A 89 0.234 17.703 15.015 1.00 30.14 H new ATOM 0 HG LEU A 89 1.975 19.150 15.431 1.00 40.42 H new ATOM 0 HD11 LEU A 89 4.091 18.215 14.520 1.00 5.12 H new ATOM 0 HD12 LEU A 89 2.942 16.967 15.058 1.00 5.12 H new ATOM 0 HD13 LEU A 89 3.142 17.303 13.322 1.00 5.12 H new ATOM 0 HD21 LEU A 89 3.341 20.410 13.733 1.00 52.11 H new ATOM 0 HD22 LEU A 89 2.286 19.770 12.451 1.00 52.11 H new ATOM 0 HD23 LEU A 89 1.616 20.848 13.699 1.00 52.11 H new ATOM 1433 N GLU A 90 1.528 17.252 10.788 1.00 73.34 N ATOM 1434 CA GLU A 90 2.001 17.719 9.469 1.00 72.44 C ATOM 1435 C GLU A 90 1.482 16.760 8.374 1.00 33.41 C ATOM 1436 O GLU A 90 0.830 17.217 7.408 1.00 61.10 O ATOM 1437 CB GLU A 90 3.552 17.779 9.466 1.00 62.52 C ATOM 1438 CG GLU A 90 4.155 18.610 10.617 1.00 43.02 C ATOM 1439 CD GLU A 90 5.688 18.531 10.685 1.00 4.05 C ATOM 1440 OE1 GLU A 90 6.217 17.504 11.150 1.00 24.32 O ATOM 1441 OE2 GLU A 90 6.375 19.486 10.259 1.00 50.43 O ATOM 1442 OXT GLU A 90 1.696 15.536 8.512 1.00 37.94 O ATOM 0 H GLU A 90 1.971 16.384 11.090 1.00 73.34 H new ATOM 0 HA GLU A 90 1.619 18.719 9.266 1.00 72.44 H new ATOM 0 HB2 GLU A 90 3.944 16.763 9.522 1.00 62.52 H new ATOM 0 HB3 GLU A 90 3.886 18.198 8.517 1.00 62.52 H new ATOM 0 HG2 GLU A 90 3.857 19.652 10.499 1.00 43.02 H new ATOM 0 HG3 GLU A 90 3.738 18.264 11.563 1.00 43.02 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.405 -13.449 6.337 1.00 31.11 P HETATM 1451 O25 4EM A 101 2.465 -14.140 5.027 1.00 64.41 O HETATM 1452 O26 4EM A 101 2.226 -14.345 7.504 1.00 63.30 O HETATM 1453 O27 4EM A 101 1.260 -12.330 6.266 1.00 2.13 O HETATM 1454 C28 4EM A 101 1.309 -11.099 7.007 1.00 70.45 C HETATM 1455 C29 4EM A 101 0.834 -11.237 8.462 1.00 63.34 C HETATM 1456 C30 4EM A 101 -0.575 -11.842 8.419 1.00 33.45 C HETATM 1457 C31 4EM A 101 0.786 -9.842 9.100 1.00 61.21 C HETATM 1458 C32 4EM A 101 1.732 -12.164 9.295 1.00 42.14 C HETATM 1459 O33 4EM A 101 3.085 -11.688 9.273 1.00 63.22 O HETATM 1460 C34 4EM A 101 1.255 -12.256 10.768 1.00 41.32 C HETATM 1461 O35 4EM A 101 1.722 -11.494 11.628 1.00 43.11 O HETATM 1462 N36 4EM A 101 0.355 -13.205 11.039 1.00 61.14 N HETATM 1463 C37 4EM A 101 -0.254 -13.467 12.347 1.00 14.41 C HETATM 1464 C38 4EM A 101 -1.750 -13.123 12.343 1.00 74.30 C HETATM 1465 C39 4EM A 101 -2.558 -13.923 11.317 1.00 21.21 C HETATM 1466 O40 4EM A 101 -2.200 -15.055 10.980 1.00 2.23 O HETATM 1467 N41 4EM A 101 -3.642 -13.324 10.803 1.00 75.11 N HETATM 1468 C42 4EM A 101 -4.543 -13.934 9.816 1.00 71.12 C HETATM 1469 C43 4EM A 101 -5.345 -12.910 9.027 1.00 73.40 C HETATM 1470 N44 4EM A 101 -4.530 -12.119 8.319 1.00 41.52 N HETATM 1471 C45 4EM A 101 -4.295 -10.833 8.604 1.00 44.45 C HETATM 1472 O46 4EM A 101 -4.792 -10.224 9.551 1.00 73.44 O HETATM 1473 C47 4EM A 101 -3.452 -10.246 7.766 1.00 73.13 C HETATM 1474 C49 4EM A 101 -2.747 -9.152 8.032 1.00 12.02 C HETATM 1475 C51 4EM A 101 -1.954 -8.951 6.986 1.00 74.31 C HETATM 1476 C50 4EM A 101 -2.182 -9.902 6.083 1.00 71.41 C HETATM 1477 N48 4EM A 101 -3.117 -10.714 6.566 1.00 43.43 N