USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 889 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 86 THR OG1 : rot -34:sc= 0.308 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.383 X(o=0.69,f=0.28) USER MOD Single : A 1 MET CE :methyl -115:sc= -0.138 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.415 (180deg=-0.0217) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 0.383 (180deg=0.328) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -170:sc=-0.00151 USER MOD Single : A 7 TYR OH : rot 86:sc= 0.599 USER MOD Single : A 16 SER OG : rot 180:sc= -0.116 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.846 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00191 K(o=-0.0019,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -101:sc= 0.0361 USER MOD Single : A 37 ASN : amide:sc= -0.663 K(o=-0.66,f=-9!) USER MOD Single : A 40 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.1!) USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00543) USER MOD Single : A 47 LYS NZ :NH3+ -137:sc= 1.63 (180deg=0.23) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.88) USER MOD Single : A 56 TYR OH : rot 4:sc= 0.31 USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0302) USER MOD Single : A 58 MET CE :methyl -146:sc= 0 (180deg=-0.26) USER MOD Single : A 69 HIS : no HE2:sc= 0.429 K(o=0.43,f=-2.1!) USER MOD Single : A 71 GLN : amide:sc= -1.57! C(o=-1.6!,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0461 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.681 (180deg=0.658) USER MOD Single : A 83 GLN : amide:sc= 0.195 K(o=0.19,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -174:sc= -1.01 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.6!) USER MOD Single : A 96 HIS : +bothHN:sc= 1.57 K(o=1.6,f=-4.9!) USER MOD Single : A 97 THR OG1 : rot 99:sc= 0.362 USER MOD Single : A 101 SER OG : rot -8:sc= 0.174 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 176:sc=-0.000248 (180deg=-0.0141) USER MOD Single : A 108 LYS NZ :NH3+ 147:sc= 0.114 (180deg=-0.245) USER MOD Single : A 109 LYS NZ :NH3+ 158:sc= 1.64 (180deg=0.73) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 136:sc= 0.454 (180deg=-0.242) USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= -0.0399 (180deg=-0.285) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.626 -8.503 16.561 1.00 51.12 N ATOM 2 CA MET A 1 3.752 -9.311 15.323 1.00 24.21 C ATOM 3 C MET A 1 4.907 -10.297 15.434 1.00 52.55 C ATOM 4 O MET A 1 5.801 -10.137 16.266 1.00 12.12 O ATOM 5 CB MET A 1 3.991 -8.424 14.090 1.00 51.10 C ATOM 6 CG MET A 1 2.944 -7.346 13.866 1.00 34.13 C ATOM 7 SD MET A 1 3.403 -5.751 14.582 1.00 73.23 S ATOM 8 CE MET A 1 4.829 -5.313 13.583 1.00 44.30 C ATOM 0 H1 MET A 1 2.715 -8.708 17.018 1.00 51.12 H new ATOM 0 H2 MET A 1 4.401 -8.742 17.212 1.00 51.12 H new ATOM 0 H3 MET A 1 3.674 -7.492 16.322 1.00 51.12 H new ATOM 0 HA MET A 1 2.811 -9.849 15.203 1.00 24.21 H new ATOM 0 HB2 MET A 1 4.967 -7.948 14.186 1.00 51.10 H new ATOM 0 HB3 MET A 1 4.032 -9.060 13.205 1.00 51.10 H new ATOM 0 HG2 MET A 1 2.781 -7.223 12.795 1.00 34.13 H new ATOM 0 HG3 MET A 1 1.998 -7.672 14.297 1.00 34.13 H new ATOM 0 HE1 MET A 1 5.719 -5.288 14.211 1.00 44.30 H new ATOM 0 HE2 MET A 1 4.962 -6.054 12.794 1.00 44.30 H new ATOM 0 HE3 MET A 1 4.672 -4.331 13.136 1.00 44.30 H new ATOM 20 N LYS A 2 4.878 -11.307 14.577 1.00 73.12 N ATOM 21 CA LYS A 2 5.978 -12.247 14.419 1.00 31.22 C ATOM 22 C LYS A 2 6.723 -11.880 13.137 1.00 74.35 C ATOM 23 O LYS A 2 6.239 -11.053 12.363 1.00 32.13 O ATOM 24 CB LYS A 2 5.439 -13.692 14.341 1.00 60.22 C ATOM 25 CG LYS A 2 4.540 -13.944 13.135 1.00 65.22 C ATOM 26 CD LYS A 2 3.829 -15.280 13.194 1.00 51.52 C ATOM 27 CE LYS A 2 2.841 -15.411 12.046 1.00 41.45 C ATOM 28 NZ LYS A 2 2.081 -16.685 12.102 1.00 75.50 N ATOM 0 H LYS A 2 4.084 -11.499 13.967 1.00 73.12 H new ATOM 0 HA LYS A 2 6.653 -12.193 15.273 1.00 31.22 H new ATOM 0 HB2 LYS A 2 6.281 -14.384 14.307 1.00 60.22 H new ATOM 0 HB3 LYS A 2 4.882 -13.913 15.251 1.00 60.22 H new ATOM 0 HG2 LYS A 2 3.799 -13.147 13.069 1.00 65.22 H new ATOM 0 HG3 LYS A 2 5.140 -13.898 12.226 1.00 65.22 H new ATOM 0 HD2 LYS A 2 4.558 -16.089 13.147 1.00 51.52 H new ATOM 0 HD3 LYS A 2 3.305 -15.378 14.145 1.00 51.52 H new ATOM 0 HE2 LYS A 2 2.144 -14.573 12.071 1.00 41.45 H new ATOM 0 HE3 LYS A 2 3.377 -15.351 11.099 1.00 41.45 H new ATOM 0 HZ1 LYS A 2 1.574 -16.827 11.205 1.00 75.50 H new ATOM 0 HZ2 LYS A 2 2.739 -17.475 12.256 1.00 75.50 H new ATOM 0 HZ3 LYS A 2 1.397 -16.647 12.884 1.00 75.50 H new ATOM 42 N ASP A 3 7.880 -12.473 12.898 1.00 1.51 N ATOM 43 CA ASP A 3 8.579 -12.241 11.643 1.00 24.05 C ATOM 44 C ASP A 3 7.951 -13.071 10.516 1.00 51.32 C ATOM 45 O ASP A 3 7.766 -14.281 10.635 1.00 30.04 O ATOM 46 CB ASP A 3 10.097 -12.483 11.777 1.00 62.21 C ATOM 47 CG ASP A 3 10.483 -13.867 12.264 1.00 54.34 C ATOM 48 OD1 ASP A 3 10.581 -14.061 13.489 1.00 22.44 O ATOM 49 OD2 ASP A 3 10.711 -14.760 11.429 1.00 32.41 O ATOM 0 H ASP A 3 8.350 -13.108 13.543 1.00 1.51 H new ATOM 0 HA ASP A 3 8.464 -11.190 11.380 1.00 24.05 H new ATOM 0 HB2 ASP A 3 10.564 -12.312 10.807 1.00 62.21 H new ATOM 0 HB3 ASP A 3 10.509 -11.744 12.464 1.00 62.21 H new ATOM 54 N GLY A 4 7.571 -12.378 9.452 1.00 64.12 N ATOM 55 CA GLY A 4 6.959 -13.006 8.296 1.00 33.43 C ATOM 56 C GLY A 4 6.530 -11.984 7.261 1.00 54.11 C ATOM 57 O GLY A 4 7.092 -10.888 7.197 1.00 43.04 O ATOM 0 H GLY A 4 7.679 -11.367 9.368 1.00 64.12 H new ATOM 0 HA2 GLY A 4 7.664 -13.705 7.846 1.00 33.43 H new ATOM 0 HA3 GLY A 4 6.093 -13.587 8.614 1.00 33.43 H new ATOM 61 N THR A 5 5.538 -12.340 6.462 1.00 54.20 N ATOM 62 CA THR A 5 4.991 -11.444 5.454 1.00 65.53 C ATOM 63 C THR A 5 3.518 -11.167 5.753 1.00 71.21 C ATOM 64 O THR A 5 2.716 -12.081 5.938 1.00 64.31 O ATOM 65 CB THR A 5 5.176 -12.030 4.031 1.00 4.43 C ATOM 66 OG1 THR A 5 6.565 -12.201 3.758 1.00 75.20 O ATOM 67 CG2 THR A 5 4.565 -11.155 2.945 1.00 20.05 C ATOM 0 H THR A 5 5.089 -13.256 6.493 1.00 54.20 H new ATOM 0 HA THR A 5 5.535 -10.500 5.489 1.00 65.53 H new ATOM 0 HB THR A 5 4.655 -12.987 4.016 1.00 4.43 H new ATOM 0 HG1 THR A 5 6.678 -12.573 2.859 1.00 75.20 H new ATOM 0 HG21 THR A 5 4.727 -11.617 1.971 1.00 20.05 H new ATOM 0 HG22 THR A 5 3.495 -11.048 3.123 1.00 20.05 H new ATOM 0 HG23 THR A 5 5.035 -10.172 2.962 1.00 20.05 H new ATOM 75 N TYR A 6 3.195 -9.893 5.842 1.00 14.44 N ATOM 76 CA TYR A 6 1.856 -9.451 6.173 1.00 12.25 C ATOM 77 C TYR A 6 1.286 -8.649 5.046 1.00 2.24 C ATOM 78 O TYR A 6 1.700 -7.538 4.818 1.00 60.01 O ATOM 79 CB TYR A 6 1.882 -8.579 7.422 1.00 13.43 C ATOM 80 CG TYR A 6 2.244 -9.301 8.679 1.00 42.15 C ATOM 81 CD1 TYR A 6 3.566 -9.518 9.044 1.00 70.13 C ATOM 82 CD2 TYR A 6 1.250 -9.747 9.512 1.00 60.25 C ATOM 83 CE1 TYR A 6 3.873 -10.169 10.215 1.00 53.22 C ATOM 84 CE2 TYR A 6 1.547 -10.384 10.675 1.00 52.43 C ATOM 85 CZ TYR A 6 2.851 -10.599 11.029 1.00 64.51 C ATOM 86 OH TYR A 6 3.124 -11.235 12.208 1.00 61.13 O ATOM 0 H TYR A 6 3.856 -9.132 5.686 1.00 14.44 H new ATOM 0 HA TYR A 6 1.241 -10.333 6.351 1.00 12.25 H new ATOM 0 HB2 TYR A 6 2.593 -7.767 7.267 1.00 13.43 H new ATOM 0 HB3 TYR A 6 0.901 -8.123 7.551 1.00 13.43 H new ATOM 0 HD1 TYR A 6 4.362 -9.172 8.401 1.00 70.13 H new ATOM 0 HD2 TYR A 6 0.217 -9.590 9.240 1.00 60.25 H new ATOM 0 HE1 TYR A 6 4.903 -10.341 10.492 1.00 53.22 H new ATOM 0 HE2 TYR A 6 0.751 -10.722 11.322 1.00 52.43 H new ATOM 0 HH TYR A 6 2.296 -11.606 12.579 1.00 61.13 H new ATOM 96 N TYR A 7 0.334 -9.186 4.346 1.00 33.40 N ATOM 97 CA TYR A 7 -0.249 -8.448 3.259 1.00 52.43 C ATOM 98 C TYR A 7 -1.754 -8.331 3.464 1.00 64.35 C ATOM 99 O TYR A 7 -2.398 -9.240 3.999 1.00 24.33 O ATOM 100 CB TYR A 7 0.171 -9.084 1.907 1.00 11.24 C ATOM 101 CG TYR A 7 -0.935 -9.681 1.068 1.00 62.31 C ATOM 102 CD1 TYR A 7 -1.382 -10.972 1.293 1.00 70.13 C ATOM 103 CD2 TYR A 7 -1.529 -8.941 0.055 1.00 33.23 C ATOM 104 CE1 TYR A 7 -2.395 -11.513 0.531 1.00 62.43 C ATOM 105 CE2 TYR A 7 -2.542 -9.473 -0.709 1.00 41.44 C ATOM 106 CZ TYR A 7 -2.971 -10.757 -0.466 1.00 43.31 C ATOM 107 OH TYR A 7 -3.991 -11.282 -1.215 1.00 74.43 O ATOM 0 H TYR A 7 -0.053 -10.117 4.501 1.00 33.40 H new ATOM 0 HA TYR A 7 0.128 -7.425 3.235 1.00 52.43 H new ATOM 0 HB2 TYR A 7 0.675 -8.321 1.314 1.00 11.24 H new ATOM 0 HB3 TYR A 7 0.904 -9.865 2.111 1.00 11.24 H new ATOM 0 HD1 TYR A 7 -0.931 -11.563 2.076 1.00 70.13 H new ATOM 0 HD2 TYR A 7 -1.191 -7.933 -0.136 1.00 33.23 H new ATOM 0 HE1 TYR A 7 -2.735 -12.522 0.714 1.00 62.43 H new ATOM 0 HE2 TYR A 7 -2.997 -8.887 -1.494 1.00 41.44 H new ATOM 0 HH TYR A 7 -4.844 -11.133 -0.756 1.00 74.43 H new ATOM 117 N ALA A 8 -2.291 -7.189 3.087 1.00 65.04 N ATOM 118 CA ALA A 8 -3.720 -6.975 3.098 1.00 10.25 C ATOM 119 C ALA A 8 -4.157 -6.482 1.755 1.00 2.13 C ATOM 120 O ALA A 8 -3.449 -5.709 1.129 1.00 43.11 O ATOM 121 CB ALA A 8 -4.117 -5.966 4.143 1.00 52.42 C ATOM 0 H ALA A 8 -1.750 -6.386 2.766 1.00 65.04 H new ATOM 0 HA ALA A 8 -4.203 -7.924 3.334 1.00 10.25 H new ATOM 0 HB1 ALA A 8 -5.198 -5.829 4.124 1.00 52.42 H new ATOM 0 HB2 ALA A 8 -3.814 -6.323 5.127 1.00 52.42 H new ATOM 0 HB3 ALA A 8 -3.627 -5.015 3.935 1.00 52.42 H new ATOM 127 N GLU A 9 -5.317 -6.912 1.327 1.00 5.43 N ATOM 128 CA GLU A 9 -5.867 -6.469 0.072 1.00 22.13 C ATOM 129 C GLU A 9 -7.108 -5.642 0.338 1.00 55.22 C ATOM 130 O GLU A 9 -7.732 -5.776 1.395 1.00 34.20 O ATOM 131 CB GLU A 9 -6.180 -7.662 -0.856 1.00 20.21 C ATOM 132 CG GLU A 9 -7.298 -8.619 -0.399 1.00 12.05 C ATOM 133 CD GLU A 9 -6.877 -9.604 0.686 1.00 33.21 C ATOM 134 OE1 GLU A 9 -7.004 -9.277 1.888 1.00 75.00 O ATOM 135 OE2 GLU A 9 -6.429 -10.717 0.345 1.00 4.51 O ATOM 0 H GLU A 9 -5.903 -7.575 1.835 1.00 5.43 H new ATOM 0 HA GLU A 9 -5.129 -5.853 -0.442 1.00 22.13 H new ATOM 0 HB2 GLU A 9 -6.448 -7.269 -1.837 1.00 20.21 H new ATOM 0 HB3 GLU A 9 -5.266 -8.242 -0.984 1.00 20.21 H new ATOM 0 HG2 GLU A 9 -8.137 -8.029 -0.032 1.00 12.05 H new ATOM 0 HG3 GLU A 9 -7.656 -9.179 -1.263 1.00 12.05 H new ATOM 142 N ALA A 10 -7.427 -4.746 -0.586 1.00 44.31 N ATOM 143 CA ALA A 10 -8.619 -3.922 -0.463 1.00 62.14 C ATOM 144 C ALA A 10 -9.883 -4.761 -0.660 1.00 14.13 C ATOM 145 O ALA A 10 -9.868 -5.771 -1.365 1.00 70.20 O ATOM 146 CB ALA A 10 -8.563 -2.763 -1.445 1.00 4.31 C ATOM 0 H ALA A 10 -6.877 -4.572 -1.427 1.00 44.31 H new ATOM 0 HA ALA A 10 -8.654 -3.508 0.545 1.00 62.14 H new ATOM 0 HB1 ALA A 10 -9.462 -2.155 -1.342 1.00 4.31 H new ATOM 0 HB2 ALA A 10 -7.685 -2.152 -1.236 1.00 4.31 H new ATOM 0 HB3 ALA A 10 -8.502 -3.150 -2.462 1.00 4.31 H new ATOM 152 N ASP A 11 -10.957 -4.353 0.010 1.00 1.24 N ATOM 153 CA ASP A 11 -12.247 -5.044 -0.057 1.00 52.24 C ATOM 154 C ASP A 11 -12.880 -4.874 -1.443 1.00 52.04 C ATOM 155 O ASP A 11 -13.499 -5.800 -1.981 1.00 53.53 O ATOM 156 CB ASP A 11 -13.174 -4.502 1.046 1.00 32.32 C ATOM 157 CG ASP A 11 -14.539 -5.173 1.091 1.00 3.31 C ATOM 158 OD1 ASP A 11 -14.636 -6.310 1.587 1.00 32.45 O ATOM 159 OD2 ASP A 11 -15.522 -4.554 0.640 1.00 72.24 O ATOM 0 H ASP A 11 -10.960 -3.533 0.616 1.00 1.24 H new ATOM 0 HA ASP A 11 -12.093 -6.111 0.105 1.00 52.24 H new ATOM 0 HB2 ASP A 11 -12.686 -4.629 2.012 1.00 32.32 H new ATOM 0 HB3 ASP A 11 -13.312 -3.431 0.897 1.00 32.32 H new ATOM 164 N ASP A 12 -12.670 -3.703 -2.028 1.00 25.14 N ATOM 165 CA ASP A 12 -13.180 -3.382 -3.346 1.00 52.21 C ATOM 166 C ASP A 12 -12.066 -2.779 -4.207 1.00 63.43 C ATOM 167 O ASP A 12 -10.985 -2.470 -3.701 1.00 44.31 O ATOM 168 CB ASP A 12 -14.372 -2.418 -3.227 1.00 24.30 C ATOM 169 CG ASP A 12 -13.995 -1.022 -2.759 1.00 5.55 C ATOM 170 OD1 ASP A 12 -13.550 -0.865 -1.602 1.00 54.22 O ATOM 171 OD2 ASP A 12 -14.173 -0.075 -3.543 1.00 11.23 O ATOM 0 H ASP A 12 -12.138 -2.948 -1.596 1.00 25.14 H new ATOM 0 HA ASP A 12 -13.527 -4.294 -3.831 1.00 52.21 H new ATOM 0 HB2 ASP A 12 -14.864 -2.344 -4.197 1.00 24.30 H new ATOM 0 HB3 ASP A 12 -15.098 -2.839 -2.532 1.00 24.30 H new ATOM 176 N PHE A 13 -12.327 -2.617 -5.502 1.00 12.34 N ATOM 177 CA PHE A 13 -11.341 -2.050 -6.423 1.00 21.22 C ATOM 178 C PHE A 13 -11.427 -0.528 -6.431 1.00 31.12 C ATOM 179 O PHE A 13 -12.499 0.042 -6.204 1.00 45.22 O ATOM 180 CB PHE A 13 -11.540 -2.586 -7.851 1.00 24.11 C ATOM 181 CG PHE A 13 -11.283 -4.060 -8.001 1.00 14.13 C ATOM 182 CD1 PHE A 13 -9.995 -4.537 -8.156 1.00 45.30 C ATOM 183 CD2 PHE A 13 -12.331 -4.966 -7.997 1.00 74.10 C ATOM 184 CE1 PHE A 13 -9.751 -5.888 -8.295 1.00 2.12 C ATOM 185 CE2 PHE A 13 -12.094 -6.319 -8.138 1.00 71.03 C ATOM 186 CZ PHE A 13 -10.802 -6.781 -8.288 1.00 20.03 C ATOM 0 H PHE A 13 -13.213 -2.870 -5.939 1.00 12.34 H new ATOM 0 HA PHE A 13 -10.354 -2.352 -6.073 1.00 21.22 H new ATOM 0 HB2 PHE A 13 -12.561 -2.373 -8.167 1.00 24.11 H new ATOM 0 HB3 PHE A 13 -10.878 -2.043 -8.526 1.00 24.11 H new ATOM 0 HD1 PHE A 13 -9.168 -3.843 -8.168 1.00 45.30 H new ATOM 0 HD2 PHE A 13 -13.344 -4.610 -7.882 1.00 74.10 H new ATOM 0 HE1 PHE A 13 -8.738 -6.246 -8.409 1.00 2.12 H new ATOM 0 HE2 PHE A 13 -12.919 -7.016 -8.131 1.00 71.03 H new ATOM 0 HZ PHE A 13 -10.615 -7.839 -8.400 1.00 20.03 H new ATOM 196 N ASP A 14 -10.293 0.122 -6.693 1.00 72.52 N ATOM 197 CA ASP A 14 -10.238 1.587 -6.787 1.00 44.54 C ATOM 198 C ASP A 14 -10.735 2.063 -8.180 1.00 71.23 C ATOM 199 O ASP A 14 -11.255 1.260 -8.951 1.00 32.13 O ATOM 200 CB ASP A 14 -8.801 2.067 -6.498 1.00 23.14 C ATOM 201 CG ASP A 14 -8.739 3.526 -6.085 1.00 15.32 C ATOM 202 OD1 ASP A 14 -9.275 3.868 -5.016 1.00 55.20 O ATOM 203 OD2 ASP A 14 -8.196 4.337 -6.844 1.00 2.11 O ATOM 0 H ASP A 14 -9.397 -0.341 -6.845 1.00 72.52 H new ATOM 0 HA ASP A 14 -10.901 2.026 -6.042 1.00 44.54 H new ATOM 0 HB2 ASP A 14 -8.370 1.452 -5.708 1.00 23.14 H new ATOM 0 HB3 ASP A 14 -8.188 1.920 -7.387 1.00 23.14 H new ATOM 208 N GLU A 15 -10.568 3.360 -8.493 1.00 53.12 N ATOM 209 CA GLU A 15 -11.056 3.971 -9.741 1.00 64.41 C ATOM 210 C GLU A 15 -10.345 3.397 -10.968 1.00 35.43 C ATOM 211 O GLU A 15 -10.953 3.220 -12.028 1.00 41.43 O ATOM 212 CB GLU A 15 -10.839 5.490 -9.697 1.00 11.15 C ATOM 213 CG GLU A 15 -11.519 6.195 -8.529 1.00 72.13 C ATOM 214 CD GLU A 15 -13.034 6.130 -8.589 1.00 33.13 C ATOM 215 OE1 GLU A 15 -13.612 5.149 -8.084 1.00 24.10 O ATOM 216 OE2 GLU A 15 -13.656 7.062 -9.138 1.00 52.12 O ATOM 0 H GLU A 15 -10.086 4.019 -7.881 1.00 53.12 H new ATOM 0 HA GLU A 15 -12.119 3.745 -9.825 1.00 64.41 H new ATOM 0 HB2 GLU A 15 -9.768 5.690 -9.651 1.00 11.15 H new ATOM 0 HB3 GLU A 15 -11.204 5.923 -10.628 1.00 11.15 H new ATOM 0 HG2 GLU A 15 -11.180 5.746 -7.595 1.00 72.13 H new ATOM 0 HG3 GLU A 15 -11.207 7.239 -8.513 1.00 72.13 H new ATOM 223 N SER A 16 -9.066 3.082 -10.799 1.00 53.42 N ATOM 224 CA SER A 16 -8.261 2.495 -11.855 1.00 75.11 C ATOM 225 C SER A 16 -8.343 0.961 -11.869 1.00 23.13 C ATOM 226 O SER A 16 -7.697 0.307 -12.696 1.00 61.13 O ATOM 227 CB SER A 16 -6.821 2.967 -11.704 1.00 44.21 C ATOM 228 OG SER A 16 -6.427 2.975 -10.339 1.00 0.11 O ATOM 0 H SER A 16 -8.561 3.228 -9.925 1.00 53.42 H new ATOM 0 HA SER A 16 -8.657 2.829 -12.814 1.00 75.11 H new ATOM 0 HB2 SER A 16 -6.159 2.314 -12.273 1.00 44.21 H new ATOM 0 HB3 SER A 16 -6.717 3.968 -12.122 1.00 44.21 H new ATOM 0 HG SER A 16 -5.498 3.280 -10.268 1.00 0.11 H new ATOM 234 N GLY A 17 -9.150 0.402 -10.962 1.00 63.32 N ATOM 235 CA GLY A 17 -9.410 -1.026 -10.943 1.00 23.43 C ATOM 236 C GLY A 17 -8.316 -1.806 -10.272 1.00 14.44 C ATOM 237 O GLY A 17 -7.866 -2.826 -10.792 1.00 73.01 O ATOM 0 H GLY A 17 -9.632 0.926 -10.232 1.00 63.32 H new ATOM 0 HA2 GLY A 17 -10.352 -1.213 -10.428 1.00 23.43 H new ATOM 0 HA3 GLY A 17 -9.530 -1.383 -11.966 1.00 23.43 H new ATOM 241 N TRP A 18 -7.869 -1.308 -9.132 1.00 64.52 N ATOM 242 CA TRP A 18 -6.824 -1.962 -8.373 1.00 14.41 C ATOM 243 C TRP A 18 -7.250 -2.129 -6.923 1.00 73.24 C ATOM 244 O TRP A 18 -7.630 -1.169 -6.260 1.00 42.20 O ATOM 245 CB TRP A 18 -5.501 -1.178 -8.445 1.00 62.50 C ATOM 246 CG TRP A 18 -4.901 -1.064 -9.821 1.00 33.35 C ATOM 247 CD1 TRP A 18 -4.925 0.038 -10.615 1.00 13.22 C ATOM 248 CD2 TRP A 18 -4.189 -2.070 -10.564 1.00 14.22 C ATOM 249 NE1 TRP A 18 -4.288 -0.213 -11.799 1.00 75.45 N ATOM 250 CE2 TRP A 18 -3.828 -1.498 -11.796 1.00 22.50 C ATOM 251 CE3 TRP A 18 -3.828 -3.394 -10.315 1.00 35.44 C ATOM 252 CZ2 TRP A 18 -3.117 -2.197 -12.770 1.00 31.21 C ATOM 253 CZ3 TRP A 18 -3.121 -4.089 -11.279 1.00 74.21 C ATOM 254 CH2 TRP A 18 -2.776 -3.490 -12.496 1.00 73.44 C ATOM 0 H TRP A 18 -8.218 -0.447 -8.712 1.00 64.52 H new ATOM 0 HA TRP A 18 -6.659 -2.945 -8.815 1.00 14.41 H new ATOM 0 HB2 TRP A 18 -5.670 -0.174 -8.055 1.00 62.50 H new ATOM 0 HB3 TRP A 18 -4.776 -1.658 -7.788 1.00 62.50 H new ATOM 0 HD1 TRP A 18 -5.383 0.979 -10.349 1.00 13.22 H new ATOM 0 HE1 TRP A 18 -4.175 0.454 -12.563 1.00 75.45 H new ATOM 0 HE3 TRP A 18 -4.097 -3.869 -9.383 1.00 35.44 H new ATOM 0 HZ2 TRP A 18 -2.846 -1.733 -13.707 1.00 31.21 H new ATOM 0 HZ3 TRP A 18 -2.830 -5.112 -11.090 1.00 74.21 H new ATOM 0 HH2 TRP A 18 -2.230 -4.061 -13.232 1.00 73.44 H new ATOM 265 N LYS A 19 -7.244 -3.370 -6.467 1.00 52.10 N ATOM 266 CA LYS A 19 -7.358 -3.680 -5.057 1.00 74.00 C ATOM 267 C LYS A 19 -6.000 -3.503 -4.418 1.00 21.03 C ATOM 268 O LYS A 19 -5.144 -4.374 -4.548 1.00 32.14 O ATOM 269 CB LYS A 19 -7.840 -5.113 -4.866 1.00 31.11 C ATOM 270 CG LYS A 19 -9.334 -5.262 -4.733 1.00 14.42 C ATOM 271 CD LYS A 19 -9.712 -6.708 -4.508 1.00 75.42 C ATOM 272 CE LYS A 19 -11.213 -6.871 -4.424 1.00 52.42 C ATOM 273 NZ LYS A 19 -11.591 -8.254 -4.050 1.00 21.54 N ATOM 0 H LYS A 19 -7.160 -4.190 -7.067 1.00 52.10 H new ATOM 0 HA LYS A 19 -8.082 -3.012 -4.591 1.00 74.00 H new ATOM 0 HB2 LYS A 19 -7.503 -5.711 -5.712 1.00 31.11 H new ATOM 0 HB3 LYS A 19 -7.367 -5.526 -3.975 1.00 31.11 H new ATOM 0 HG2 LYS A 19 -9.692 -4.654 -3.902 1.00 14.42 H new ATOM 0 HG3 LYS A 19 -9.823 -4.890 -5.633 1.00 14.42 H new ATOM 0 HD2 LYS A 19 -9.321 -7.320 -5.321 1.00 75.42 H new ATOM 0 HD3 LYS A 19 -9.252 -7.069 -3.588 1.00 75.42 H new ATOM 0 HE2 LYS A 19 -11.615 -6.172 -3.690 1.00 52.42 H new ATOM 0 HE3 LYS A 19 -11.661 -6.618 -5.385 1.00 52.42 H new ATOM 0 HZ1 LYS A 19 -12.627 -8.330 -4.002 1.00 21.54 H new ATOM 0 HZ2 LYS A 19 -11.228 -8.918 -4.763 1.00 21.54 H new ATOM 0 HZ3 LYS A 19 -11.183 -8.486 -3.122 1.00 21.54 H new ATOM 287 N ASP A 20 -5.808 -2.365 -3.765 1.00 13.32 N ATOM 288 CA ASP A 20 -4.501 -1.967 -3.258 1.00 22.23 C ATOM 289 C ASP A 20 -4.060 -2.886 -2.138 1.00 4.20 C ATOM 290 O ASP A 20 -4.799 -3.123 -1.180 1.00 2.34 O ATOM 291 CB ASP A 20 -4.546 -0.531 -2.733 1.00 2.35 C ATOM 292 CG ASP A 20 -5.063 0.468 -3.752 1.00 63.43 C ATOM 293 OD1 ASP A 20 -6.299 0.575 -3.905 1.00 13.40 O ATOM 294 OD2 ASP A 20 -4.240 1.161 -4.373 1.00 75.22 O ATOM 0 H ASP A 20 -6.551 -1.693 -3.572 1.00 13.32 H new ATOM 0 HA ASP A 20 -3.790 -2.033 -4.081 1.00 22.23 H new ATOM 0 HB2 ASP A 20 -5.180 -0.496 -1.847 1.00 2.35 H new ATOM 0 HB3 ASP A 20 -3.545 -0.235 -2.421 1.00 2.35 H new ATOM 299 N THR A 21 -2.860 -3.413 -2.276 1.00 23.41 N ATOM 300 CA THR A 21 -2.327 -4.309 -1.286 1.00 12.41 C ATOM 301 C THR A 21 -1.060 -3.713 -0.701 1.00 60.03 C ATOM 302 O THR A 21 -0.189 -3.216 -1.429 1.00 34.25 O ATOM 303 CB THR A 21 -2.034 -5.740 -1.837 1.00 53.53 C ATOM 304 OG1 THR A 21 -0.936 -5.729 -2.745 1.00 62.33 O ATOM 305 CG2 THR A 21 -3.240 -6.339 -2.544 1.00 71.31 C ATOM 0 H THR A 21 -2.240 -3.233 -3.066 1.00 23.41 H new ATOM 0 HA THR A 21 -3.091 -4.425 -0.517 1.00 12.41 H new ATOM 0 HB THR A 21 -1.791 -6.354 -0.970 1.00 53.53 H new ATOM 0 HG1 THR A 21 -1.053 -6.441 -3.408 1.00 62.33 H new ATOM 0 HG21 THR A 21 -2.989 -7.334 -2.911 1.00 71.31 H new ATOM 0 HG22 THR A 21 -4.074 -6.409 -1.845 1.00 71.31 H new ATOM 0 HG23 THR A 21 -3.522 -5.704 -3.383 1.00 71.31 H new ATOM 313 N VAL A 22 -0.964 -3.756 0.608 1.00 52.31 N ATOM 314 CA VAL A 22 0.218 -3.261 1.291 1.00 64.05 C ATOM 315 C VAL A 22 0.860 -4.401 2.050 1.00 31.40 C ATOM 316 O VAL A 22 0.246 -5.020 2.923 1.00 10.43 O ATOM 317 CB VAL A 22 -0.071 -2.044 2.218 1.00 13.22 C ATOM 318 CG1 VAL A 22 1.190 -1.597 2.950 1.00 31.41 C ATOM 319 CG2 VAL A 22 -0.623 -0.874 1.412 1.00 52.42 C ATOM 0 H VAL A 22 -1.687 -4.127 1.224 1.00 52.31 H new ATOM 0 HA VAL A 22 0.910 -2.885 0.537 1.00 64.05 H new ATOM 0 HB VAL A 22 -0.812 -2.362 2.952 1.00 13.22 H new ATOM 0 HG11 VAL A 22 0.957 -0.746 3.590 1.00 31.41 H new ATOM 0 HG12 VAL A 22 1.566 -2.418 3.561 1.00 31.41 H new ATOM 0 HG13 VAL A 22 1.949 -1.308 2.223 1.00 31.41 H new ATOM 0 HG21 VAL A 22 -0.818 -0.033 2.078 1.00 52.42 H new ATOM 0 HG22 VAL A 22 0.105 -0.577 0.657 1.00 52.42 H new ATOM 0 HG23 VAL A 22 -1.551 -1.174 0.924 1.00 52.42 H new ATOM 329 N THR A 23 2.080 -4.696 1.657 1.00 23.21 N ATOM 330 CA THR A 23 2.823 -5.792 2.208 1.00 45.54 C ATOM 331 C THR A 23 3.845 -5.286 3.221 1.00 64.21 C ATOM 332 O THR A 23 4.796 -4.607 2.875 1.00 63.24 O ATOM 333 CB THR A 23 3.527 -6.573 1.087 1.00 53.10 C ATOM 334 OG1 THR A 23 2.595 -6.855 0.033 1.00 12.11 O ATOM 335 CG2 THR A 23 4.089 -7.874 1.616 1.00 31.12 C ATOM 0 H THR A 23 2.582 -4.173 0.940 1.00 23.21 H new ATOM 0 HA THR A 23 2.130 -6.460 2.719 1.00 45.54 H new ATOM 0 HB THR A 23 4.345 -5.963 0.704 1.00 53.10 H new ATOM 0 HG1 THR A 23 3.048 -7.351 -0.680 1.00 12.11 H new ATOM 0 HG21 THR A 23 4.583 -8.412 0.807 1.00 31.12 H new ATOM 0 HG22 THR A 23 4.810 -7.664 2.406 1.00 31.12 H new ATOM 0 HG23 THR A 23 3.279 -8.484 2.016 1.00 31.12 H new ATOM 343 N ILE A 24 3.615 -5.616 4.470 1.00 2.20 N ATOM 344 CA ILE A 24 4.509 -5.271 5.547 1.00 54.35 C ATOM 345 C ILE A 24 5.377 -6.481 5.836 1.00 33.00 C ATOM 346 O ILE A 24 4.884 -7.520 6.267 1.00 43.25 O ATOM 347 CB ILE A 24 3.729 -4.883 6.831 1.00 3.30 C ATOM 348 CG1 ILE A 24 2.677 -3.799 6.528 1.00 35.30 C ATOM 349 CG2 ILE A 24 4.687 -4.431 7.932 1.00 11.03 C ATOM 350 CD1 ILE A 24 3.240 -2.439 6.160 1.00 53.04 C ATOM 0 H ILE A 24 2.791 -6.138 4.769 1.00 2.20 H new ATOM 0 HA ILE A 24 5.110 -4.411 5.251 1.00 54.35 H new ATOM 0 HB ILE A 24 3.202 -5.767 7.189 1.00 3.30 H new ATOM 0 HG12 ILE A 24 2.045 -4.147 5.710 1.00 35.30 H new ATOM 0 HG13 ILE A 24 2.034 -3.685 7.401 1.00 35.30 H new ATOM 0 HG21 ILE A 24 4.118 -4.164 8.822 1.00 11.03 H new ATOM 0 HG22 ILE A 24 5.375 -5.242 8.171 1.00 11.03 H new ATOM 0 HG23 ILE A 24 5.252 -3.564 7.589 1.00 11.03 H new ATOM 0 HD11 ILE A 24 2.421 -1.747 5.965 1.00 53.04 H new ATOM 0 HD12 ILE A 24 3.847 -2.061 6.983 1.00 53.04 H new ATOM 0 HD13 ILE A 24 3.858 -2.531 5.267 1.00 53.04 H new ATOM 362 N GLU A 25 6.651 -6.347 5.581 1.00 32.44 N ATOM 363 CA GLU A 25 7.574 -7.425 5.828 1.00 42.54 C ATOM 364 C GLU A 25 8.275 -7.213 7.161 1.00 2.51 C ATOM 365 O GLU A 25 8.961 -6.209 7.382 1.00 61.23 O ATOM 366 CB GLU A 25 8.545 -7.561 4.660 1.00 43.51 C ATOM 367 CG GLU A 25 9.675 -8.533 4.911 1.00 1.40 C ATOM 368 CD GLU A 25 10.369 -8.926 3.644 1.00 0.33 C ATOM 369 OE1 GLU A 25 11.187 -8.133 3.158 1.00 71.41 O ATOM 370 OE2 GLU A 25 10.086 -10.024 3.118 1.00 31.25 O ATOM 0 H GLU A 25 7.075 -5.501 5.201 1.00 32.44 H new ATOM 0 HA GLU A 25 7.034 -8.369 5.900 1.00 42.54 H new ATOM 0 HB2 GLU A 25 7.993 -7.882 3.777 1.00 43.51 H new ATOM 0 HB3 GLU A 25 8.966 -6.581 4.434 1.00 43.51 H new ATOM 0 HG2 GLU A 25 10.395 -8.083 5.594 1.00 1.40 H new ATOM 0 HG3 GLU A 25 9.284 -9.424 5.402 1.00 1.40 H new ATOM 377 N VAL A 26 8.049 -8.162 8.050 1.00 34.42 N ATOM 378 CA VAL A 26 8.576 -8.122 9.395 1.00 45.41 C ATOM 379 C VAL A 26 9.694 -9.155 9.536 1.00 71.22 C ATOM 380 O VAL A 26 9.570 -10.287 9.080 1.00 11.43 O ATOM 381 CB VAL A 26 7.437 -8.366 10.438 1.00 61.01 C ATOM 382 CG1 VAL A 26 7.953 -8.363 11.869 1.00 52.24 C ATOM 383 CG2 VAL A 26 6.343 -7.312 10.294 1.00 72.12 C ATOM 0 H VAL A 26 7.488 -8.990 7.853 1.00 34.42 H new ATOM 0 HA VAL A 26 8.992 -7.134 9.592 1.00 45.41 H new ATOM 0 HB VAL A 26 7.028 -9.355 10.229 1.00 61.01 H new ATOM 0 HG11 VAL A 26 7.124 -8.536 12.555 1.00 52.24 H new ATOM 0 HG12 VAL A 26 8.695 -9.152 11.990 1.00 52.24 H new ATOM 0 HG13 VAL A 26 8.410 -7.398 12.089 1.00 52.24 H new ATOM 0 HG21 VAL A 26 5.559 -7.498 11.028 1.00 72.12 H new ATOM 0 HG22 VAL A 26 6.768 -6.322 10.460 1.00 72.12 H new ATOM 0 HG23 VAL A 26 5.920 -7.362 9.291 1.00 72.12 H new ATOM 393 N LYS A 27 10.793 -8.726 10.122 1.00 64.33 N ATOM 394 CA LYS A 27 11.918 -9.581 10.432 1.00 10.35 C ATOM 395 C LYS A 27 12.535 -9.074 11.727 1.00 5.43 C ATOM 396 O LYS A 27 12.659 -7.860 11.904 1.00 3.41 O ATOM 397 CB LYS A 27 12.932 -9.558 9.280 1.00 65.32 C ATOM 398 CG LYS A 27 14.122 -10.479 9.454 1.00 34.35 C ATOM 399 CD LYS A 27 15.103 -10.324 8.311 1.00 42.43 C ATOM 400 CE LYS A 27 16.341 -11.162 8.541 1.00 52.41 C ATOM 401 NZ LYS A 27 17.383 -10.930 7.509 1.00 71.23 N ATOM 0 H LYS A 27 10.931 -7.755 10.401 1.00 64.33 H new ATOM 0 HA LYS A 27 11.600 -10.616 10.557 1.00 10.35 H new ATOM 0 HB2 LYS A 27 12.417 -9.826 8.357 1.00 65.32 H new ATOM 0 HB3 LYS A 27 13.296 -8.538 9.157 1.00 65.32 H new ATOM 0 HG2 LYS A 27 14.621 -10.259 10.398 1.00 34.35 H new ATOM 0 HG3 LYS A 27 13.781 -11.513 9.507 1.00 34.35 H new ATOM 0 HD2 LYS A 27 14.627 -10.621 7.376 1.00 42.43 H new ATOM 0 HD3 LYS A 27 15.383 -9.276 8.207 1.00 42.43 H new ATOM 0 HE2 LYS A 27 16.752 -10.936 9.525 1.00 52.41 H new ATOM 0 HE3 LYS A 27 16.066 -12.217 8.545 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 18.210 -11.527 7.711 1.00 71.23 H new ATOM 0 HZ2 LYS A 27 17.003 -11.171 6.571 1.00 71.23 H new ATOM 0 HZ3 LYS A 27 17.667 -9.930 7.521 1.00 71.23 H new ATOM 415 N ASN A 28 12.863 -10.009 12.636 1.00 62.12 N ATOM 416 CA ASN A 28 13.432 -9.704 13.970 1.00 24.53 C ATOM 417 C ASN A 28 12.414 -8.976 14.869 1.00 0.23 C ATOM 418 O ASN A 28 12.786 -8.201 15.757 1.00 63.12 O ATOM 419 CB ASN A 28 14.743 -8.898 13.861 1.00 3.32 C ATOM 420 CG ASN A 28 15.883 -9.681 13.227 1.00 65.21 C ATOM 421 OD1 ASN A 28 15.982 -10.900 13.369 1.00 45.33 O ATOM 422 ND2 ASN A 28 16.748 -8.979 12.509 1.00 33.44 N ATOM 0 H ASN A 28 12.741 -11.008 12.468 1.00 62.12 H new ATOM 0 HA ASN A 28 13.668 -10.659 14.439 1.00 24.53 H new ATOM 0 HB2 ASN A 28 14.560 -7.998 13.274 1.00 3.32 H new ATOM 0 HB3 ASN A 28 15.045 -8.573 14.857 1.00 3.32 H new ATOM 0 HD21 ASN A 28 17.529 -9.448 12.051 1.00 33.44 H new ATOM 0 HD22 ASN A 28 16.632 -7.970 12.415 1.00 33.44 H new ATOM 429 N GLY A 29 11.124 -9.260 14.635 1.00 14.44 N ATOM 430 CA GLY A 29 10.039 -8.661 15.409 1.00 60.23 C ATOM 431 C GLY A 29 9.695 -7.222 15.022 1.00 23.15 C ATOM 432 O GLY A 29 8.871 -6.594 15.686 1.00 12.11 O ATOM 0 H GLY A 29 10.811 -9.906 13.910 1.00 14.44 H new ATOM 0 HA2 GLY A 29 9.147 -9.277 15.294 1.00 60.23 H new ATOM 0 HA3 GLY A 29 10.309 -8.684 16.465 1.00 60.23 H new ATOM 436 N LYS A 30 10.306 -6.705 13.959 1.00 0.22 N ATOM 437 CA LYS A 30 10.083 -5.319 13.537 1.00 21.12 C ATOM 438 C LYS A 30 9.991 -5.209 12.011 1.00 30.23 C ATOM 439 O LYS A 30 10.361 -6.136 11.304 1.00 1.32 O ATOM 440 CB LYS A 30 11.213 -4.435 14.080 1.00 30.43 C ATOM 441 CG LYS A 30 12.593 -4.843 13.596 1.00 3.12 C ATOM 442 CD LYS A 30 13.676 -4.094 14.331 1.00 51.35 C ATOM 443 CE LYS A 30 15.049 -4.527 13.866 1.00 5.04 C ATOM 444 NZ LYS A 30 16.121 -3.928 14.695 1.00 20.32 N ATOM 0 H LYS A 30 10.960 -7.223 13.372 1.00 0.22 H new ATOM 0 HA LYS A 30 9.131 -4.977 13.943 1.00 21.12 H new ATOM 0 HB2 LYS A 30 11.026 -3.402 13.788 1.00 30.43 H new ATOM 0 HB3 LYS A 30 11.196 -4.467 15.169 1.00 30.43 H new ATOM 0 HG2 LYS A 30 12.728 -5.915 13.739 1.00 3.12 H new ATOM 0 HG3 LYS A 30 12.677 -4.651 12.526 1.00 3.12 H new ATOM 0 HD2 LYS A 30 13.555 -3.023 14.170 1.00 51.35 H new ATOM 0 HD3 LYS A 30 13.580 -4.268 15.403 1.00 51.35 H new ATOM 0 HE2 LYS A 30 15.121 -5.614 13.907 1.00 5.04 H new ATOM 0 HE3 LYS A 30 15.189 -4.237 12.825 1.00 5.04 H new ATOM 0 HZ1 LYS A 30 17.048 -4.247 14.347 1.00 20.32 H new ATOM 0 HZ2 LYS A 30 16.067 -2.891 14.636 1.00 20.32 H new ATOM 0 HZ3 LYS A 30 16.002 -4.225 15.684 1.00 20.32 H new ATOM 458 N ILE A 31 9.509 -4.074 11.510 1.00 43.53 N ATOM 459 CA ILE A 31 9.359 -3.868 10.067 1.00 63.13 C ATOM 460 C ILE A 31 10.725 -3.593 9.428 1.00 52.54 C ATOM 461 O ILE A 31 11.427 -2.661 9.810 1.00 30.55 O ATOM 462 CB ILE A 31 8.375 -2.701 9.747 1.00 50.12 C ATOM 463 CG1 ILE A 31 7.019 -2.934 10.441 1.00 62.42 C ATOM 464 CG2 ILE A 31 8.186 -2.546 8.235 1.00 74.14 C ATOM 465 CD1 ILE A 31 6.028 -1.789 10.295 1.00 13.42 C ATOM 0 H ILE A 31 9.215 -3.281 12.080 1.00 43.53 H new ATOM 0 HA ILE A 31 8.938 -4.781 9.646 1.00 63.13 H new ATOM 0 HB ILE A 31 8.806 -1.777 10.131 1.00 50.12 H new ATOM 0 HG12 ILE A 31 6.569 -3.840 10.036 1.00 62.42 H new ATOM 0 HG13 ILE A 31 7.195 -3.112 11.502 1.00 62.42 H new ATOM 0 HG21 ILE A 31 7.496 -1.726 8.037 1.00 74.14 H new ATOM 0 HG22 ILE A 31 9.147 -2.332 7.768 1.00 74.14 H new ATOM 0 HG23 ILE A 31 7.780 -3.470 7.822 1.00 74.14 H new ATOM 0 HD11 ILE A 31 5.103 -2.040 10.814 1.00 13.42 H new ATOM 0 HD12 ILE A 31 6.453 -0.883 10.728 1.00 13.42 H new ATOM 0 HD13 ILE A 31 5.817 -1.622 9.239 1.00 13.42 H new ATOM 477 N VAL A 32 11.112 -4.429 8.478 1.00 41.20 N ATOM 478 CA VAL A 32 12.389 -4.255 7.796 1.00 53.15 C ATOM 479 C VAL A 32 12.191 -3.821 6.345 1.00 61.30 C ATOM 480 O VAL A 32 13.118 -3.314 5.711 1.00 41.30 O ATOM 481 CB VAL A 32 13.272 -5.531 7.851 1.00 13.50 C ATOM 482 CG1 VAL A 32 13.626 -5.870 9.291 1.00 4.12 C ATOM 483 CG2 VAL A 32 12.603 -6.722 7.168 1.00 72.44 C ATOM 0 H VAL A 32 10.566 -5.230 8.162 1.00 41.20 H new ATOM 0 HA VAL A 32 12.914 -3.465 8.333 1.00 53.15 H new ATOM 0 HB VAL A 32 14.189 -5.317 7.301 1.00 13.50 H new ATOM 0 HG11 VAL A 32 14.245 -6.767 9.312 1.00 4.12 H new ATOM 0 HG12 VAL A 32 14.175 -5.040 9.736 1.00 4.12 H new ATOM 0 HG13 VAL A 32 12.712 -6.047 9.858 1.00 4.12 H new ATOM 0 HG21 VAL A 32 13.257 -7.592 7.231 1.00 72.44 H new ATOM 0 HG22 VAL A 32 11.658 -6.942 7.664 1.00 72.44 H new ATOM 0 HG23 VAL A 32 12.416 -6.483 6.121 1.00 72.44 H new ATOM 493 N SER A 33 10.973 -4.004 5.836 1.00 44.44 N ATOM 494 CA SER A 33 10.659 -3.717 4.448 1.00 12.22 C ATOM 495 C SER A 33 9.160 -3.507 4.293 1.00 35.12 C ATOM 496 O SER A 33 8.367 -3.965 5.115 1.00 25.42 O ATOM 497 CB SER A 33 11.136 -4.869 3.541 1.00 73.42 C ATOM 498 OG SER A 33 11.011 -4.550 2.162 1.00 13.23 O ATOM 0 H SER A 33 10.183 -4.354 6.377 1.00 44.44 H new ATOM 0 HA SER A 33 11.178 -2.806 4.148 1.00 12.22 H new ATOM 0 HB2 SER A 33 12.177 -5.100 3.766 1.00 73.42 H new ATOM 0 HB3 SER A 33 10.556 -5.766 3.759 1.00 73.42 H new ATOM 0 HG SER A 33 10.212 -4.985 1.797 1.00 13.23 H new ATOM 504 N VAL A 34 8.793 -2.791 3.253 1.00 25.41 N ATOM 505 CA VAL A 34 7.408 -2.615 2.876 1.00 53.33 C ATOM 506 C VAL A 34 7.319 -2.577 1.350 1.00 20.51 C ATOM 507 O VAL A 34 8.102 -1.910 0.664 1.00 73.20 O ATOM 508 CB VAL A 34 6.755 -1.369 3.554 1.00 33.14 C ATOM 509 CG1 VAL A 34 7.461 -0.090 3.182 1.00 2.24 C ATOM 510 CG2 VAL A 34 5.269 -1.258 3.235 1.00 1.12 C ATOM 0 H VAL A 34 9.452 -2.311 2.641 1.00 25.41 H new ATOM 0 HA VAL A 34 6.827 -3.461 3.242 1.00 53.33 H new ATOM 0 HB VAL A 34 6.862 -1.518 4.628 1.00 33.14 H new ATOM 0 HG11 VAL A 34 6.974 0.751 3.675 1.00 2.24 H new ATOM 0 HG12 VAL A 34 8.502 -0.144 3.499 1.00 2.24 H new ATOM 0 HG13 VAL A 34 7.418 0.049 2.102 1.00 2.24 H new ATOM 0 HG21 VAL A 34 4.856 -0.377 3.727 1.00 1.12 H new ATOM 0 HG22 VAL A 34 5.134 -1.168 2.157 1.00 1.12 H new ATOM 0 HG23 VAL A 34 4.753 -2.149 3.592 1.00 1.12 H new ATOM 520 N ASP A 35 6.396 -3.356 0.837 1.00 61.02 N ATOM 521 CA ASP A 35 6.264 -3.587 -0.587 1.00 11.32 C ATOM 522 C ASP A 35 4.853 -3.266 -1.043 1.00 74.43 C ATOM 523 O ASP A 35 3.887 -3.480 -0.308 1.00 34.45 O ATOM 524 CB ASP A 35 6.644 -5.037 -0.939 1.00 31.21 C ATOM 525 CG ASP A 35 8.137 -5.306 -0.790 1.00 73.10 C ATOM 526 OD1 ASP A 35 8.580 -5.657 0.326 1.00 64.23 O ATOM 527 OD2 ASP A 35 8.875 -5.155 -1.789 1.00 32.23 O ATOM 0 H ASP A 35 5.707 -3.854 1.401 1.00 61.02 H new ATOM 0 HA ASP A 35 6.951 -2.925 -1.114 1.00 11.32 H new ATOM 0 HB2 ASP A 35 6.090 -5.720 -0.295 1.00 31.21 H new ATOM 0 HB3 ASP A 35 6.341 -5.249 -1.964 1.00 31.21 H new ATOM 532 N TRP A 36 4.741 -2.719 -2.242 1.00 21.34 N ATOM 533 CA TRP A 36 3.460 -2.259 -2.761 1.00 60.24 C ATOM 534 C TRP A 36 3.066 -3.010 -4.025 1.00 1.02 C ATOM 535 O TRP A 36 3.893 -3.282 -4.899 1.00 2.45 O ATOM 536 CB TRP A 36 3.453 -0.732 -2.990 1.00 25.34 C ATOM 537 CG TRP A 36 4.811 -0.095 -3.147 1.00 45.23 C ATOM 538 CD1 TRP A 36 5.525 0.538 -2.172 1.00 35.22 C ATOM 539 CD2 TRP A 36 5.613 -0.026 -4.335 1.00 64.35 C ATOM 540 NE1 TRP A 36 6.718 0.985 -2.677 1.00 52.12 N ATOM 541 CE2 TRP A 36 6.798 0.651 -3.997 1.00 4.33 C ATOM 542 CE3 TRP A 36 5.452 -0.477 -5.647 1.00 3.34 C ATOM 543 CZ2 TRP A 36 7.808 0.892 -4.919 1.00 53.12 C ATOM 544 CZ3 TRP A 36 6.454 -0.237 -6.560 1.00 44.13 C ATOM 545 CH2 TRP A 36 7.621 0.439 -6.192 1.00 41.44 C ATOM 0 H TRP A 36 5.526 -2.581 -2.879 1.00 21.34 H new ATOM 0 HA TRP A 36 2.709 -2.478 -2.002 1.00 60.24 H new ATOM 0 HB2 TRP A 36 2.865 -0.518 -3.882 1.00 25.34 H new ATOM 0 HB3 TRP A 36 2.943 -0.258 -2.151 1.00 25.34 H new ATOM 0 HD1 TRP A 36 5.198 0.668 -1.151 1.00 35.22 H new ATOM 0 HE1 TRP A 36 7.432 1.487 -2.150 1.00 52.12 H new ATOM 0 HE3 TRP A 36 4.557 -1.005 -5.940 1.00 3.34 H new ATOM 0 HZ2 TRP A 36 8.708 1.419 -4.639 1.00 53.12 H new ATOM 0 HZ3 TRP A 36 6.336 -0.577 -7.578 1.00 44.13 H new ATOM 0 HH2 TRP A 36 8.391 0.606 -6.931 1.00 41.44 H new ATOM 556 N ASN A 37 1.787 -3.348 -4.087 1.00 12.02 N ATOM 557 CA ASN A 37 1.211 -4.156 -5.155 1.00 42.44 C ATOM 558 C ASN A 37 -0.296 -3.853 -5.199 1.00 34.31 C ATOM 559 O ASN A 37 -0.793 -3.140 -4.327 1.00 45.31 O ATOM 560 CB ASN A 37 1.496 -5.651 -4.854 1.00 1.40 C ATOM 561 CG ASN A 37 1.097 -6.617 -5.953 1.00 1.14 C ATOM 562 OD1 ASN A 37 1.190 -6.307 -7.138 1.00 52.11 O ATOM 563 ND2 ASN A 37 0.597 -7.779 -5.563 1.00 40.22 N ATOM 0 H ASN A 37 1.106 -3.063 -3.383 1.00 12.02 H new ATOM 0 HA ASN A 37 1.646 -3.926 -6.128 1.00 42.44 H new ATOM 0 HB2 ASN A 37 2.562 -5.769 -4.657 1.00 1.40 H new ATOM 0 HB3 ASN A 37 0.971 -5.928 -3.940 1.00 1.40 H new ATOM 0 HD21 ASN A 37 0.273 -8.453 -6.256 1.00 40.22 H new ATOM 0 HD22 ASN A 37 0.536 -8.000 -4.569 1.00 40.22 H new ATOM 570 N ALA A 38 -1.007 -4.363 -6.202 1.00 12.14 N ATOM 571 CA ALA A 38 -2.463 -4.241 -6.290 1.00 64.31 C ATOM 572 C ALA A 38 -3.012 -5.300 -7.241 1.00 62.22 C ATOM 573 O ALA A 38 -2.297 -5.751 -8.116 1.00 0.12 O ATOM 574 CB ALA A 38 -2.863 -2.844 -6.756 1.00 53.23 C ATOM 0 H ALA A 38 -0.590 -4.874 -6.980 1.00 12.14 H new ATOM 0 HA ALA A 38 -2.888 -4.398 -5.299 1.00 64.31 H new ATOM 0 HB1 ALA A 38 -3.949 -2.777 -6.814 1.00 53.23 H new ATOM 0 HB2 ALA A 38 -2.491 -2.104 -6.048 1.00 53.23 H new ATOM 0 HB3 ALA A 38 -2.435 -2.652 -7.740 1.00 53.23 H new ATOM 580 N ILE A 39 -4.269 -5.699 -7.071 1.00 71.04 N ATOM 581 CA ILE A 39 -4.872 -6.733 -7.925 1.00 73.14 C ATOM 582 C ILE A 39 -5.783 -6.072 -8.970 1.00 60.10 C ATOM 583 O ILE A 39 -6.515 -5.146 -8.647 1.00 4.24 O ATOM 584 CB ILE A 39 -5.688 -7.771 -7.102 1.00 50.10 C ATOM 585 CG1 ILE A 39 -4.960 -8.129 -5.793 1.00 33.14 C ATOM 586 CG2 ILE A 39 -5.911 -9.037 -7.936 1.00 25.34 C ATOM 587 CD1 ILE A 39 -5.796 -8.928 -4.813 1.00 73.52 C ATOM 0 H ILE A 39 -4.893 -5.328 -6.354 1.00 71.04 H new ATOM 0 HA ILE A 39 -4.060 -7.268 -8.418 1.00 73.14 H new ATOM 0 HB ILE A 39 -6.651 -7.328 -6.849 1.00 50.10 H new ATOM 0 HG12 ILE A 39 -4.062 -8.697 -6.034 1.00 33.14 H new ATOM 0 HG13 ILE A 39 -4.634 -7.208 -5.309 1.00 33.14 H new ATOM 0 HG21 ILE A 39 -6.483 -9.760 -7.354 1.00 25.34 H new ATOM 0 HG22 ILE A 39 -6.461 -8.784 -8.842 1.00 25.34 H new ATOM 0 HG23 ILE A 39 -4.947 -9.469 -8.206 1.00 25.34 H new ATOM 0 HD11 ILE A 39 -5.208 -9.137 -3.919 1.00 73.52 H new ATOM 0 HD12 ILE A 39 -6.682 -8.355 -4.539 1.00 73.52 H new ATOM 0 HD13 ILE A 39 -6.100 -9.867 -5.275 1.00 73.52 H new ATOM 599 N ASN A 40 -5.734 -6.550 -10.214 1.00 13.54 N ATOM 600 CA ASN A 40 -6.438 -5.901 -11.326 1.00 54.04 C ATOM 601 C ASN A 40 -7.885 -6.392 -11.460 1.00 33.11 C ATOM 602 O ASN A 40 -8.163 -7.581 -11.309 1.00 14.24 O ATOM 603 CB ASN A 40 -5.680 -6.147 -12.633 1.00 10.23 C ATOM 604 CG ASN A 40 -5.974 -5.123 -13.718 1.00 22.01 C ATOM 605 OD1 ASN A 40 -5.921 -5.443 -14.894 1.00 23.23 O ATOM 606 ND2 ASN A 40 -6.269 -3.883 -13.341 1.00 24.33 N ATOM 0 H ASN A 40 -5.214 -7.386 -10.479 1.00 13.54 H new ATOM 0 HA ASN A 40 -6.475 -4.832 -11.114 1.00 54.04 H new ATOM 0 HB2 ASN A 40 -4.610 -6.146 -12.427 1.00 10.23 H new ATOM 0 HB3 ASN A 40 -5.932 -7.140 -13.006 1.00 10.23 H new ATOM 0 HD21 ASN A 40 -6.459 -3.168 -14.043 1.00 24.33 H new ATOM 0 HD22 ASN A 40 -6.306 -3.646 -12.349 1.00 24.33 H new ATOM 613 N LYS A 41 -8.794 -5.451 -11.754 1.00 12.55 N ATOM 614 CA LYS A 41 -10.230 -5.729 -11.900 1.00 74.32 C ATOM 615 C LYS A 41 -10.542 -6.449 -13.223 1.00 55.43 C ATOM 616 O LYS A 41 -11.554 -7.147 -13.340 1.00 63.32 O ATOM 617 CB LYS A 41 -11.025 -4.416 -11.809 1.00 3.30 C ATOM 618 CG LYS A 41 -12.532 -4.613 -11.817 1.00 64.42 C ATOM 619 CD LYS A 41 -13.281 -3.302 -11.833 1.00 24.03 C ATOM 620 CE LYS A 41 -14.762 -3.515 -12.102 1.00 50.42 C ATOM 621 NZ LYS A 41 -15.427 -4.314 -11.039 1.00 2.40 N ATOM 0 H LYS A 41 -8.552 -4.471 -11.898 1.00 12.55 H new ATOM 0 HA LYS A 41 -10.527 -6.394 -11.089 1.00 74.32 H new ATOM 0 HB2 LYS A 41 -10.741 -3.892 -10.897 1.00 3.30 H new ATOM 0 HB3 LYS A 41 -10.747 -3.774 -12.645 1.00 3.30 H new ATOM 0 HG2 LYS A 41 -12.815 -5.201 -12.690 1.00 64.42 H new ATOM 0 HG3 LYS A 41 -12.826 -5.186 -10.938 1.00 64.42 H new ATOM 0 HD2 LYS A 41 -13.152 -2.795 -10.876 1.00 24.03 H new ATOM 0 HD3 LYS A 41 -12.860 -2.650 -12.598 1.00 24.03 H new ATOM 0 HE2 LYS A 41 -15.255 -2.547 -12.186 1.00 50.42 H new ATOM 0 HE3 LYS A 41 -14.885 -4.019 -13.061 1.00 50.42 H new ATOM 0 HZ1 LYS A 41 -16.441 -4.401 -11.253 1.00 2.40 H new ATOM 0 HZ2 LYS A 41 -14.999 -5.261 -10.998 1.00 2.40 H new ATOM 0 HZ3 LYS A 41 -15.307 -3.839 -10.121 1.00 2.40 H new ATOM 635 N ASP A 42 -9.645 -6.285 -14.200 1.00 74.53 N ATOM 636 CA ASP A 42 -9.725 -6.973 -15.496 1.00 61.00 C ATOM 637 C ASP A 42 -9.731 -8.503 -15.324 1.00 2.13 C ATOM 638 O ASP A 42 -10.420 -9.222 -16.053 1.00 55.03 O ATOM 639 CB ASP A 42 -8.547 -6.505 -16.361 1.00 23.44 C ATOM 640 CG ASP A 42 -8.358 -7.289 -17.645 1.00 0.02 C ATOM 641 OD1 ASP A 42 -9.058 -6.998 -18.630 1.00 65.31 O ATOM 642 OD2 ASP A 42 -7.512 -8.206 -17.671 1.00 51.34 O ATOM 0 H ASP A 42 -8.837 -5.668 -14.115 1.00 74.53 H new ATOM 0 HA ASP A 42 -10.664 -6.720 -15.989 1.00 61.00 H new ATOM 0 HB2 ASP A 42 -8.691 -5.454 -16.610 1.00 23.44 H new ATOM 0 HB3 ASP A 42 -7.632 -6.571 -15.772 1.00 23.44 H new ATOM 647 N GLY A 43 -8.989 -8.984 -14.329 1.00 11.33 N ATOM 648 CA GLY A 43 -8.972 -10.397 -14.022 1.00 5.40 C ATOM 649 C GLY A 43 -7.683 -11.064 -14.432 1.00 45.20 C ATOM 650 O GLY A 43 -7.562 -12.285 -14.331 1.00 60.34 O ATOM 0 H GLY A 43 -8.396 -8.412 -13.728 1.00 11.33 H new ATOM 0 HA2 GLY A 43 -9.123 -10.534 -12.951 1.00 5.40 H new ATOM 0 HA3 GLY A 43 -9.806 -10.885 -14.527 1.00 5.40 H new ATOM 654 N GLY A 44 -6.726 -10.261 -14.900 1.00 4.51 N ATOM 655 CA GLY A 44 -5.427 -10.780 -15.280 1.00 52.30 C ATOM 656 C GLY A 44 -4.507 -10.994 -14.095 1.00 54.21 C ATOM 657 O GLY A 44 -4.723 -11.898 -13.283 1.00 13.43 O ATOM 0 H GLY A 44 -6.833 -9.254 -15.022 1.00 4.51 H new ATOM 0 HA2 GLY A 44 -5.559 -11.725 -15.806 1.00 52.30 H new ATOM 0 HA3 GLY A 44 -4.956 -10.089 -15.979 1.00 52.30 H new ATOM 661 N ASP A 45 -3.488 -10.158 -13.989 1.00 63.15 N ATOM 662 CA ASP A 45 -2.467 -10.323 -12.959 1.00 13.32 C ATOM 663 C ASP A 45 -2.464 -9.159 -11.975 1.00 41.13 C ATOM 664 O ASP A 45 -3.409 -8.369 -11.916 1.00 24.41 O ATOM 665 CB ASP A 45 -1.083 -10.472 -13.609 1.00 5.23 C ATOM 666 CG ASP A 45 -0.921 -11.760 -14.383 1.00 32.41 C ATOM 667 OD1 ASP A 45 -1.041 -12.839 -13.771 1.00 41.34 O ATOM 668 OD2 ASP A 45 -0.671 -11.698 -15.602 1.00 32.53 O ATOM 0 H ASP A 45 -3.342 -9.356 -14.603 1.00 63.15 H new ATOM 0 HA ASP A 45 -2.703 -11.228 -12.398 1.00 13.32 H new ATOM 0 HB2 ASP A 45 -0.912 -9.630 -14.279 1.00 5.23 H new ATOM 0 HB3 ASP A 45 -0.318 -10.423 -12.834 1.00 5.23 H new ATOM 673 N ASP A 46 -1.395 -9.080 -11.189 1.00 42.52 N ATOM 674 CA ASP A 46 -1.212 -8.028 -10.190 1.00 44.11 C ATOM 675 C ASP A 46 -0.422 -6.867 -10.787 1.00 71.11 C ATOM 676 O ASP A 46 -0.078 -6.893 -11.959 1.00 11.23 O ATOM 677 CB ASP A 46 -0.455 -8.580 -8.976 1.00 41.15 C ATOM 678 CG ASP A 46 -1.208 -9.665 -8.245 1.00 14.43 C ATOM 679 OD1 ASP A 46 -1.097 -10.838 -8.658 1.00 4.21 O ATOM 680 OD2 ASP A 46 -1.909 -9.358 -7.260 1.00 2.11 O ATOM 0 H ASP A 46 -0.625 -9.748 -11.226 1.00 42.52 H new ATOM 0 HA ASP A 46 -2.194 -7.675 -9.877 1.00 44.11 H new ATOM 0 HB2 ASP A 46 0.507 -8.973 -9.305 1.00 41.15 H new ATOM 0 HB3 ASP A 46 -0.246 -7.763 -8.285 1.00 41.15 H new ATOM 685 N LYS A 47 -0.150 -5.852 -9.969 1.00 12.13 N ATOM 686 CA LYS A 47 0.741 -4.742 -10.329 1.00 24.43 C ATOM 687 C LYS A 47 2.144 -5.234 -10.640 1.00 55.14 C ATOM 688 O LYS A 47 2.733 -4.833 -11.639 1.00 51.44 O ATOM 689 CB LYS A 47 0.823 -3.717 -9.192 1.00 53.32 C ATOM 690 CG LYS A 47 -0.279 -2.669 -9.200 1.00 62.54 C ATOM 691 CD LYS A 47 -0.203 -1.770 -10.424 1.00 21.44 C ATOM 692 CE LYS A 47 1.116 -1.028 -10.486 1.00 12.10 C ATOM 693 NZ LYS A 47 1.308 -0.351 -11.781 1.00 41.22 N ATOM 0 H LYS A 47 -0.542 -5.773 -9.031 1.00 12.13 H new ATOM 0 HA LYS A 47 0.320 -4.274 -11.219 1.00 24.43 H new ATOM 0 HB2 LYS A 47 0.794 -4.247 -8.240 1.00 53.32 H new ATOM 0 HB3 LYS A 47 1.787 -3.211 -9.246 1.00 53.32 H new ATOM 0 HG2 LYS A 47 -1.250 -3.164 -9.174 1.00 62.54 H new ATOM 0 HG3 LYS A 47 -0.207 -2.061 -8.299 1.00 62.54 H new ATOM 0 HD2 LYS A 47 -0.327 -2.370 -11.326 1.00 21.44 H new ATOM 0 HD3 LYS A 47 -1.024 -1.054 -10.402 1.00 21.44 H new ATOM 0 HE2 LYS A 47 1.156 -0.292 -9.683 1.00 12.10 H new ATOM 0 HE3 LYS A 47 1.934 -1.728 -10.318 1.00 12.10 H new ATOM 0 HZ1 LYS A 47 2.286 -0.494 -12.106 1.00 41.22 H new ATOM 0 HZ2 LYS A 47 0.649 -0.748 -12.481 1.00 41.22 H new ATOM 0 HZ3 LYS A 47 1.125 0.667 -11.671 1.00 41.22 H new ATOM 707 N ASP A 48 2.652 -6.109 -9.771 1.00 33.55 N ATOM 708 CA ASP A 48 3.973 -6.712 -9.915 1.00 24.23 C ATOM 709 C ASP A 48 4.045 -7.607 -11.156 1.00 61.31 C ATOM 710 O ASP A 48 4.934 -7.442 -11.986 1.00 75.21 O ATOM 711 CB ASP A 48 4.301 -7.521 -8.652 1.00 50.42 C ATOM 712 CG ASP A 48 5.650 -8.216 -8.717 1.00 60.24 C ATOM 713 OD1 ASP A 48 6.674 -7.547 -8.499 1.00 44.32 O ATOM 714 OD2 ASP A 48 5.687 -9.436 -8.983 1.00 62.11 O ATOM 0 H ASP A 48 2.151 -6.421 -8.939 1.00 33.55 H new ATOM 0 HA ASP A 48 4.708 -5.917 -10.042 1.00 24.23 H new ATOM 0 HB2 ASP A 48 4.284 -6.856 -7.788 1.00 50.42 H new ATOM 0 HB3 ASP A 48 3.523 -8.268 -8.495 1.00 50.42 H new ATOM 719 N THR A 49 3.075 -8.513 -11.286 1.00 24.33 N ATOM 720 CA THR A 49 3.089 -9.528 -12.335 1.00 72.44 C ATOM 721 C THR A 49 2.863 -8.921 -13.732 1.00 62.10 C ATOM 722 O THR A 49 3.550 -9.293 -14.672 1.00 10.25 O ATOM 723 CB THR A 49 2.030 -10.613 -12.056 1.00 74.02 C ATOM 724 OG1 THR A 49 1.920 -10.841 -10.640 1.00 35.23 O ATOM 725 CG2 THR A 49 2.399 -11.924 -12.741 1.00 31.11 C ATOM 0 H THR A 49 2.263 -8.562 -10.670 1.00 24.33 H new ATOM 0 HA THR A 49 4.080 -9.981 -12.326 1.00 72.44 H new ATOM 0 HB THR A 49 1.077 -10.261 -12.452 1.00 74.02 H new ATOM 0 HG1 THR A 49 1.244 -11.530 -10.471 1.00 35.23 H new ATOM 0 HG21 THR A 49 1.636 -12.673 -12.529 1.00 31.11 H new ATOM 0 HG22 THR A 49 2.463 -11.767 -13.818 1.00 31.11 H new ATOM 0 HG23 THR A 49 3.362 -12.271 -12.367 1.00 31.11 H new ATOM 733 N LEU A 50 1.932 -7.960 -13.846 1.00 1.42 N ATOM 734 CA LEU A 50 1.659 -7.276 -15.125 1.00 15.11 C ATOM 735 C LEU A 50 2.834 -6.406 -15.569 1.00 12.42 C ATOM 736 O LEU A 50 3.081 -6.269 -16.762 1.00 15.43 O ATOM 737 CB LEU A 50 0.380 -6.429 -15.060 1.00 45.31 C ATOM 738 CG LEU A 50 -0.937 -7.210 -15.158 1.00 12.22 C ATOM 739 CD1 LEU A 50 -2.126 -6.269 -15.038 1.00 50.25 C ATOM 740 CD2 LEU A 50 -1.015 -7.996 -16.464 1.00 11.24 C ATOM 0 H LEU A 50 1.355 -7.638 -13.069 1.00 1.42 H new ATOM 0 HA LEU A 50 1.514 -8.063 -15.865 1.00 15.11 H new ATOM 0 HB2 LEU A 50 0.382 -5.871 -14.124 1.00 45.31 H new ATOM 0 HB3 LEU A 50 0.409 -5.697 -15.867 1.00 45.31 H new ATOM 0 HG LEU A 50 -0.967 -7.920 -14.332 1.00 12.22 H new ATOM 0 HD11 LEU A 50 -3.051 -6.841 -15.110 1.00 50.25 H new ATOM 0 HD12 LEU A 50 -2.089 -5.757 -14.076 1.00 50.25 H new ATOM 0 HD13 LEU A 50 -2.091 -5.534 -15.842 1.00 50.25 H new ATOM 0 HD21 LEU A 50 -1.959 -8.540 -16.506 1.00 11.24 H new ATOM 0 HD22 LEU A 50 -0.955 -7.308 -17.307 1.00 11.24 H new ATOM 0 HD23 LEU A 50 -0.187 -8.703 -16.513 1.00 11.24 H new ATOM 752 N SER A 51 3.550 -5.823 -14.605 1.00 53.32 N ATOM 753 CA SER A 51 4.733 -5.013 -14.888 1.00 24.34 C ATOM 754 C SER A 51 5.892 -5.878 -15.419 1.00 62.41 C ATOM 755 O SER A 51 6.628 -5.457 -16.312 1.00 50.11 O ATOM 756 CB SER A 51 5.163 -4.272 -13.618 1.00 13.22 C ATOM 757 OG SER A 51 6.117 -3.271 -13.898 1.00 3.13 O ATOM 0 H SER A 51 3.327 -5.899 -13.613 1.00 53.32 H new ATOM 0 HA SER A 51 4.478 -4.290 -15.663 1.00 24.34 H new ATOM 0 HB2 SER A 51 4.290 -3.821 -13.146 1.00 13.22 H new ATOM 0 HB3 SER A 51 5.580 -4.983 -12.905 1.00 13.22 H new ATOM 0 HG SER A 51 6.368 -2.817 -13.067 1.00 3.13 H new ATOM 763 N ARG A 52 6.021 -7.096 -14.879 1.00 55.42 N ATOM 764 CA ARG A 52 7.072 -8.037 -15.286 1.00 52.10 C ATOM 765 C ARG A 52 6.757 -8.700 -16.634 1.00 55.14 C ATOM 766 O ARG A 52 7.666 -9.027 -17.396 1.00 51.23 O ATOM 767 CB ARG A 52 7.258 -9.124 -14.223 1.00 15.55 C ATOM 768 CG ARG A 52 7.838 -8.630 -12.906 1.00 54.31 C ATOM 769 CD ARG A 52 7.913 -9.753 -11.881 1.00 51.14 C ATOM 770 NE ARG A 52 8.851 -10.813 -12.285 1.00 61.51 N ATOM 771 CZ ARG A 52 8.648 -12.121 -12.091 1.00 23.42 C ATOM 772 NH1 ARG A 52 7.511 -12.567 -11.560 1.00 30.44 N ATOM 773 NH2 ARG A 52 9.576 -12.994 -12.461 1.00 24.44 N ATOM 0 H ARG A 52 5.403 -7.456 -14.151 1.00 55.42 H new ATOM 0 HA ARG A 52 7.991 -7.461 -15.393 1.00 52.10 H new ATOM 0 HB2 ARG A 52 6.293 -9.591 -14.027 1.00 15.55 H new ATOM 0 HB3 ARG A 52 7.911 -9.899 -14.625 1.00 15.55 H new ATOM 0 HG2 ARG A 52 8.834 -8.221 -13.075 1.00 54.31 H new ATOM 0 HG3 ARG A 52 7.223 -7.819 -12.516 1.00 54.31 H new ATOM 0 HD2 ARG A 52 8.222 -9.344 -10.919 1.00 51.14 H new ATOM 0 HD3 ARG A 52 6.921 -10.182 -11.741 1.00 51.14 H new ATOM 0 HE ARG A 52 9.716 -10.530 -12.745 1.00 61.51 H new ATOM 0 HH11 ARG A 52 6.779 -11.908 -11.295 1.00 30.44 H new ATOM 0 HH12 ARG A 52 7.372 -13.568 -11.419 1.00 30.44 H new ATOM 0 HH21 ARG A 52 10.441 -12.667 -12.892 1.00 24.44 H new ATOM 0 HH22 ARG A 52 9.425 -13.992 -12.315 1.00 24.44 H new ATOM 787 N ASN A 53 5.469 -8.899 -16.915 1.00 20.44 N ATOM 788 CA ASN A 53 5.023 -9.527 -18.166 1.00 22.34 C ATOM 789 C ASN A 53 4.959 -8.533 -19.328 1.00 71.31 C ATOM 790 O ASN A 53 4.939 -8.938 -20.494 1.00 5.44 O ATOM 791 CB ASN A 53 3.646 -10.183 -17.985 1.00 45.14 C ATOM 792 CG ASN A 53 3.676 -11.422 -17.108 1.00 11.34 C ATOM 793 OD1 ASN A 53 4.677 -12.129 -17.046 1.00 71.22 O ATOM 794 ND2 ASN A 53 2.570 -11.701 -16.433 1.00 3.32 N ATOM 0 H ASN A 53 4.708 -8.633 -16.290 1.00 20.44 H new ATOM 0 HA ASN A 53 5.765 -10.287 -18.412 1.00 22.34 H new ATOM 0 HB2 ASN A 53 2.960 -9.456 -17.550 1.00 45.14 H new ATOM 0 HB3 ASN A 53 3.248 -10.450 -18.964 1.00 45.14 H new ATOM 0 HD21 ASN A 53 2.531 -12.528 -15.837 1.00 3.32 H new ATOM 0 HD22 ASN A 53 1.758 -11.089 -16.510 1.00 3.32 H new ATOM 801 N GLY A 54 4.931 -7.242 -19.002 1.00 50.12 N ATOM 802 CA GLY A 54 4.824 -6.203 -20.016 1.00 44.43 C ATOM 803 C GLY A 54 3.405 -6.034 -20.522 1.00 21.25 C ATOM 804 O GLY A 54 3.170 -6.004 -21.730 1.00 3.55 O ATOM 0 H GLY A 54 4.981 -6.894 -18.044 1.00 50.12 H new ATOM 0 HA2 GLY A 54 5.174 -5.258 -19.602 1.00 44.43 H new ATOM 0 HA3 GLY A 54 5.479 -6.447 -20.853 1.00 44.43 H new ATOM 808 N GLY A 55 2.463 -5.946 -19.592 1.00 5.40 N ATOM 809 CA GLY A 55 1.068 -5.782 -19.942 1.00 24.31 C ATOM 810 C GLY A 55 0.300 -5.021 -18.891 1.00 53.32 C ATOM 811 O GLY A 55 -0.804 -5.411 -18.523 1.00 71.30 O ATOM 0 H GLY A 55 2.645 -5.986 -18.589 1.00 5.40 H new ATOM 0 HA2 GLY A 55 0.994 -5.257 -20.894 1.00 24.31 H new ATOM 0 HA3 GLY A 55 0.613 -6.763 -20.082 1.00 24.31 H new ATOM 815 N TYR A 56 0.889 -3.936 -18.399 1.00 65.44 N ATOM 816 CA TYR A 56 0.231 -3.068 -17.430 1.00 64.03 C ATOM 817 C TYR A 56 -0.877 -2.238 -18.099 1.00 53.55 C ATOM 818 O TYR A 56 -0.613 -1.320 -18.883 1.00 41.41 O ATOM 819 CB TYR A 56 1.279 -2.181 -16.715 1.00 53.22 C ATOM 820 CG TYR A 56 0.725 -0.953 -16.007 1.00 75.02 C ATOM 821 CD1 TYR A 56 -0.159 -1.058 -14.937 1.00 15.04 C ATOM 822 CD2 TYR A 56 1.072 0.319 -16.445 1.00 30.02 C ATOM 823 CE1 TYR A 56 -0.670 0.070 -14.331 1.00 20.40 C ATOM 824 CE2 TYR A 56 0.561 1.445 -15.845 1.00 24.23 C ATOM 825 CZ TYR A 56 -0.306 1.318 -14.791 1.00 24.44 C ATOM 826 OH TYR A 56 -0.816 2.442 -14.196 1.00 62.11 O ATOM 0 H TYR A 56 1.829 -3.636 -18.658 1.00 65.44 H new ATOM 0 HA TYR A 56 -0.254 -3.683 -16.672 1.00 64.03 H new ATOM 0 HB2 TYR A 56 1.808 -2.792 -15.984 1.00 53.22 H new ATOM 0 HB3 TYR A 56 2.015 -1.854 -17.450 1.00 53.22 H new ATOM 0 HD1 TYR A 56 -0.448 -2.034 -14.577 1.00 15.04 H new ATOM 0 HD2 TYR A 56 1.757 0.425 -17.273 1.00 30.02 H new ATOM 0 HE1 TYR A 56 -1.353 -0.023 -13.499 1.00 20.40 H new ATOM 0 HE2 TYR A 56 0.841 2.425 -16.202 1.00 24.23 H new ATOM 0 HH TYR A 56 -1.367 2.184 -13.428 1.00 62.11 H new ATOM 836 N LYS A 57 -2.115 -2.624 -17.820 1.00 63.44 N ATOM 837 CA LYS A 57 -3.278 -1.835 -18.186 1.00 64.11 C ATOM 838 C LYS A 57 -4.165 -1.616 -16.968 1.00 34.41 C ATOM 839 O LYS A 57 -4.410 -2.543 -16.188 1.00 43.14 O ATOM 840 CB LYS A 57 -4.093 -2.517 -19.297 1.00 70.23 C ATOM 841 CG LYS A 57 -3.491 -2.409 -20.689 1.00 23.43 C ATOM 842 CD LYS A 57 -4.360 -3.112 -21.721 1.00 35.41 C ATOM 843 CE LYS A 57 -3.969 -2.743 -23.148 1.00 63.22 C ATOM 844 NZ LYS A 57 -2.540 -3.032 -23.443 1.00 24.41 N ATOM 0 H LYS A 57 -2.338 -3.492 -17.334 1.00 63.44 H new ATOM 0 HA LYS A 57 -2.923 -0.875 -18.561 1.00 64.11 H new ATOM 0 HB2 LYS A 57 -4.209 -3.572 -19.048 1.00 70.23 H new ATOM 0 HB3 LYS A 57 -5.092 -2.082 -19.314 1.00 70.23 H new ATOM 0 HG2 LYS A 57 -3.379 -1.359 -20.959 1.00 23.43 H new ATOM 0 HG3 LYS A 57 -2.493 -2.847 -20.691 1.00 23.43 H new ATOM 0 HD2 LYS A 57 -4.276 -4.191 -21.590 1.00 35.41 H new ATOM 0 HD3 LYS A 57 -5.405 -2.851 -21.553 1.00 35.41 H new ATOM 0 HE2 LYS A 57 -4.599 -3.293 -23.847 1.00 63.22 H new ATOM 0 HE3 LYS A 57 -4.163 -1.683 -23.311 1.00 63.22 H new ATOM 0 HZ1 LYS A 57 -2.356 -2.875 -24.454 1.00 24.41 H new ATOM 0 HZ2 LYS A 57 -1.935 -2.402 -22.879 1.00 24.41 H new ATOM 0 HZ3 LYS A 57 -2.329 -4.021 -23.202 1.00 24.41 H new ATOM 858 N MET A 58 -4.621 -0.383 -16.801 1.00 72.31 N ATOM 859 CA MET A 58 -5.633 -0.061 -15.797 1.00 4.34 C ATOM 860 C MET A 58 -7.009 -0.200 -16.435 1.00 74.15 C ATOM 861 O MET A 58 -7.111 -0.338 -17.656 1.00 42.43 O ATOM 862 CB MET A 58 -5.463 1.375 -15.271 1.00 75.34 C ATOM 863 CG MET A 58 -4.129 1.641 -14.590 1.00 3.04 C ATOM 864 SD MET A 58 -4.020 3.280 -13.834 1.00 44.33 S ATOM 865 CE MET A 58 -4.050 4.346 -15.271 1.00 70.24 C ATOM 0 H MET A 58 -4.306 0.417 -17.350 1.00 72.31 H new ATOM 0 HA MET A 58 -5.522 -0.745 -14.956 1.00 4.34 H new ATOM 0 HB2 MET A 58 -5.577 2.070 -16.103 1.00 75.34 H new ATOM 0 HB3 MET A 58 -6.266 1.588 -14.566 1.00 75.34 H new ATOM 0 HG2 MET A 58 -3.964 0.884 -13.823 1.00 3.04 H new ATOM 0 HG3 MET A 58 -3.328 1.533 -15.322 1.00 3.04 H new ATOM 0 HE1 MET A 58 -3.427 5.222 -15.088 1.00 70.24 H new ATOM 0 HE2 MET A 58 -3.667 3.803 -16.135 1.00 70.24 H new ATOM 0 HE3 MET A 58 -5.074 4.664 -15.467 1.00 70.24 H new ATOM 875 N VAL A 59 -8.070 -0.159 -15.634 1.00 73.13 N ATOM 876 CA VAL A 59 -9.409 -0.085 -16.212 1.00 42.03 C ATOM 877 C VAL A 59 -9.819 1.381 -16.382 1.00 10.13 C ATOM 878 O VAL A 59 -10.784 1.690 -17.073 1.00 5.12 O ATOM 879 CB VAL A 59 -10.497 -0.891 -15.429 1.00 3.25 C ATOM 880 CG1 VAL A 59 -10.060 -2.333 -15.199 1.00 33.45 C ATOM 881 CG2 VAL A 59 -10.878 -0.232 -14.113 1.00 51.43 C ATOM 0 H VAL A 59 -8.034 -0.175 -14.615 1.00 73.13 H new ATOM 0 HA VAL A 59 -9.352 -0.570 -17.186 1.00 42.03 H new ATOM 0 HB VAL A 59 -11.388 -0.894 -16.057 1.00 3.25 H new ATOM 0 HG11 VAL A 59 -10.838 -2.866 -14.652 1.00 33.45 H new ATOM 0 HG12 VAL A 59 -9.893 -2.820 -16.160 1.00 33.45 H new ATOM 0 HG13 VAL A 59 -9.136 -2.345 -14.620 1.00 33.45 H new ATOM 0 HG21 VAL A 59 -11.636 -0.833 -13.611 1.00 51.43 H new ATOM 0 HG22 VAL A 59 -9.997 -0.154 -13.476 1.00 51.43 H new ATOM 0 HG23 VAL A 59 -11.275 0.765 -14.307 1.00 51.43 H new ATOM 891 N GLU A 60 -9.042 2.278 -15.773 1.00 12.24 N ATOM 892 CA GLU A 60 -9.236 3.694 -15.937 1.00 42.31 C ATOM 893 C GLU A 60 -8.365 4.165 -17.083 1.00 73.54 C ATOM 894 O GLU A 60 -7.153 4.329 -16.929 1.00 0.10 O ATOM 895 CB GLU A 60 -8.879 4.449 -14.654 1.00 74.13 C ATOM 896 CG GLU A 60 -9.274 5.917 -14.658 1.00 40.33 C ATOM 897 CD GLU A 60 -10.776 6.120 -14.590 1.00 11.04 C ATOM 898 OE1 GLU A 60 -11.466 5.891 -15.606 1.00 70.44 O ATOM 899 OE2 GLU A 60 -11.274 6.509 -13.519 1.00 73.33 O ATOM 0 H GLU A 60 -8.267 2.031 -15.157 1.00 12.24 H new ATOM 0 HA GLU A 60 -10.285 3.894 -16.154 1.00 42.31 H new ATOM 0 HB2 GLU A 60 -9.364 3.957 -13.811 1.00 74.13 H new ATOM 0 HB3 GLU A 60 -7.804 4.375 -14.491 1.00 74.13 H new ATOM 0 HG2 GLU A 60 -8.805 6.417 -13.811 1.00 40.33 H new ATOM 0 HG3 GLU A 60 -8.888 6.390 -15.561 1.00 40.33 H new ATOM 978 N GLU A 67 -2.654 4.580 -7.738 1.00 0.43 N ATOM 979 CA GLU A 67 -2.081 3.291 -7.396 1.00 4.32 C ATOM 980 C GLU A 67 -0.704 3.478 -6.764 1.00 1.41 C ATOM 981 O GLU A 67 -0.163 4.591 -6.727 1.00 3.43 O ATOM 982 CB GLU A 67 -1.955 2.416 -8.654 1.00 62.14 C ATOM 983 CG GLU A 67 -1.322 3.144 -9.829 1.00 73.54 C ATOM 984 CD GLU A 67 -0.834 2.216 -10.905 1.00 50.41 C ATOM 985 OE1 GLU A 67 -1.645 1.484 -11.501 1.00 74.15 O ATOM 986 OE2 GLU A 67 0.380 2.225 -11.172 1.00 21.53 O ATOM 0 HA GLU A 67 -2.739 2.798 -6.681 1.00 4.32 H new ATOM 0 HB2 GLU A 67 -1.359 1.535 -8.417 1.00 62.14 H new ATOM 0 HB3 GLU A 67 -2.945 2.063 -8.944 1.00 62.14 H new ATOM 0 HG2 GLU A 67 -2.050 3.834 -10.256 1.00 73.54 H new ATOM 0 HG3 GLU A 67 -0.486 3.744 -9.469 1.00 73.54 H new ATOM 993 N TRP A 68 -0.144 2.381 -6.277 1.00 61.12 N ATOM 994 CA TRP A 68 1.165 2.394 -5.648 1.00 73.42 C ATOM 995 C TRP A 68 2.237 1.894 -6.608 1.00 11.43 C ATOM 996 O TRP A 68 2.391 0.688 -6.817 1.00 43.31 O ATOM 997 CB TRP A 68 1.136 1.561 -4.356 1.00 44.25 C ATOM 998 CG TRP A 68 0.031 1.977 -3.442 1.00 11.35 C ATOM 999 CD1 TRP A 68 -1.009 1.211 -3.006 1.00 43.45 C ATOM 1000 CD2 TRP A 68 -0.174 3.285 -2.902 1.00 4.11 C ATOM 1001 NE1 TRP A 68 -1.851 1.966 -2.229 1.00 1.10 N ATOM 1002 CE2 TRP A 68 -1.355 3.247 -2.152 1.00 73.04 C ATOM 1003 CE3 TRP A 68 0.537 4.486 -2.986 1.00 3.35 C ATOM 1004 CZ2 TRP A 68 -1.844 4.369 -1.495 1.00 71.15 C ATOM 1005 CZ3 TRP A 68 0.052 5.590 -2.335 1.00 71.13 C ATOM 1006 CH2 TRP A 68 -1.128 5.528 -1.596 1.00 45.31 C ATOM 0 H TRP A 68 -0.583 1.461 -6.307 1.00 61.12 H new ATOM 0 HA TRP A 68 1.418 3.422 -5.387 1.00 73.42 H new ATOM 0 HB2 TRP A 68 1.020 0.507 -4.608 1.00 44.25 H new ATOM 0 HB3 TRP A 68 2.090 1.662 -3.839 1.00 44.25 H new ATOM 0 HD1 TRP A 68 -1.149 0.166 -3.238 1.00 43.45 H new ATOM 0 HE1 TRP A 68 -2.705 1.632 -1.782 1.00 1.10 H new ATOM 0 HE3 TRP A 68 1.453 4.543 -3.555 1.00 3.35 H new ATOM 0 HZ2 TRP A 68 -2.759 4.326 -0.924 1.00 71.15 H new ATOM 0 HZ3 TRP A 68 0.593 6.523 -2.396 1.00 71.13 H new ATOM 0 HH2 TRP A 68 -1.484 6.415 -1.093 1.00 45.31 H new ATOM 1017 N HIS A 69 2.942 2.839 -7.220 1.00 63.24 N ATOM 1018 CA HIS A 69 4.043 2.514 -8.110 1.00 24.35 C ATOM 1019 C HIS A 69 5.226 3.471 -7.870 1.00 70.13 C ATOM 1020 O HIS A 69 6.065 3.211 -7.014 1.00 61.42 O ATOM 1021 CB HIS A 69 3.563 2.534 -9.589 1.00 12.51 C ATOM 1022 CG HIS A 69 4.589 2.098 -10.607 1.00 63.40 C ATOM 1023 ND1 HIS A 69 5.027 2.913 -11.635 1.00 42.20 N ATOM 1024 CD2 HIS A 69 5.262 0.933 -10.748 1.00 54.52 C ATOM 1025 CE1 HIS A 69 5.927 2.268 -12.354 1.00 72.32 C ATOM 1026 NE2 HIS A 69 6.087 1.065 -11.839 1.00 2.11 N ATOM 0 H HIS A 69 2.767 3.838 -7.114 1.00 63.24 H new ATOM 0 HA HIS A 69 4.394 1.505 -7.895 1.00 24.35 H new ATOM 0 HB2 HIS A 69 2.689 1.888 -9.679 1.00 12.51 H new ATOM 0 HB3 HIS A 69 3.239 3.545 -9.835 1.00 12.51 H new ATOM 0 HD1 HIS A 69 4.705 3.865 -11.810 1.00 42.20 H new ATOM 0 HD2 HIS A 69 5.168 0.060 -10.119 1.00 54.52 H new ATOM 0 HE1 HIS A 69 6.444 2.659 -13.217 1.00 72.32 H new ATOM 1035 N GLU A 70 5.245 4.597 -8.579 1.00 73.20 N ATOM 1036 CA GLU A 70 6.418 5.470 -8.620 1.00 41.23 C ATOM 1037 C GLU A 70 6.323 6.598 -7.600 1.00 13.30 C ATOM 1038 O GLU A 70 7.338 7.107 -7.144 1.00 32.13 O ATOM 1039 CB GLU A 70 6.661 6.038 -10.043 1.00 71.42 C ATOM 1040 CG GLU A 70 5.568 6.963 -10.609 1.00 21.04 C ATOM 1041 CD GLU A 70 4.320 6.226 -11.054 1.00 0.23 C ATOM 1042 OE1 GLU A 70 4.293 5.753 -12.200 1.00 24.34 O ATOM 1043 OE2 GLU A 70 3.380 6.071 -10.241 1.00 32.44 O ATOM 0 H GLU A 70 4.458 4.929 -9.136 1.00 73.20 H new ATOM 0 HA GLU A 70 7.276 4.852 -8.354 1.00 41.23 H new ATOM 0 HB2 GLU A 70 7.602 6.587 -10.035 1.00 71.42 H new ATOM 0 HB3 GLU A 70 6.787 5.200 -10.728 1.00 71.42 H new ATOM 0 HG2 GLU A 70 5.296 7.696 -9.850 1.00 21.04 H new ATOM 0 HG3 GLU A 70 5.974 7.516 -11.456 1.00 21.04 H new ATOM 1050 N GLN A 71 5.100 6.979 -7.238 1.00 42.34 N ATOM 1051 CA GLN A 71 4.886 7.982 -6.200 1.00 20.44 C ATOM 1052 C GLN A 71 4.813 7.303 -4.820 1.00 10.31 C ATOM 1053 O GLN A 71 4.811 7.964 -3.777 1.00 72.12 O ATOM 1054 CB GLN A 71 3.618 8.780 -6.512 1.00 33.14 C ATOM 1055 CG GLN A 71 3.498 10.089 -5.742 1.00 21.13 C ATOM 1056 CD GLN A 71 2.473 11.046 -6.321 1.00 3.24 C ATOM 1057 OE1 GLN A 71 2.616 12.255 -6.199 1.00 3.43 O ATOM 1058 NE2 GLN A 71 1.442 10.522 -6.963 1.00 43.32 N ATOM 0 H GLN A 71 4.243 6.608 -7.648 1.00 42.34 H new ATOM 0 HA GLN A 71 5.724 8.679 -6.178 1.00 20.44 H new ATOM 0 HB2 GLN A 71 3.592 8.996 -7.580 1.00 33.14 H new ATOM 0 HB3 GLN A 71 2.749 8.161 -6.291 1.00 33.14 H new ATOM 0 HG2 GLN A 71 3.233 9.869 -4.708 1.00 21.13 H new ATOM 0 HG3 GLN A 71 4.471 10.580 -5.724 1.00 21.13 H new ATOM 0 HE21 GLN A 71 1.354 9.509 -7.046 1.00 43.32 H new ATOM 0 HE22 GLN A 71 0.735 11.131 -7.375 1.00 43.32 H new ATOM 1067 N ALA A 72 4.796 5.968 -4.836 1.00 22.33 N ATOM 1068 CA ALA A 72 4.743 5.161 -3.624 1.00 43.15 C ATOM 1069 C ALA A 72 6.075 5.152 -2.866 1.00 71.42 C ATOM 1070 O ALA A 72 6.067 4.928 -1.668 1.00 24.43 O ATOM 1071 CB ALA A 72 4.330 3.742 -3.959 1.00 24.42 C ATOM 0 H ALA A 72 4.819 5.419 -5.695 1.00 22.33 H new ATOM 0 HA ALA A 72 4.000 5.617 -2.969 1.00 43.15 H new ATOM 0 HB1 ALA A 72 4.294 3.148 -3.046 1.00 24.42 H new ATOM 0 HB2 ALA A 72 3.345 3.750 -4.426 1.00 24.42 H new ATOM 0 HB3 ALA A 72 5.054 3.305 -4.647 1.00 24.42 H new ATOM 1077 N GLU A 73 7.202 5.398 -3.574 1.00 2.34 N ATOM 1078 CA GLU A 73 8.561 5.333 -2.982 1.00 3.51 C ATOM 1079 C GLU A 73 8.768 6.299 -1.799 1.00 22.43 C ATOM 1080 O GLU A 73 9.495 5.979 -0.854 1.00 74.12 O ATOM 1081 CB GLU A 73 9.642 5.598 -4.048 1.00 2.22 C ATOM 1082 CG GLU A 73 9.555 6.967 -4.716 1.00 23.11 C ATOM 1083 CD GLU A 73 10.757 7.284 -5.578 1.00 14.04 C ATOM 1084 OE1 GLU A 73 10.788 6.843 -6.742 1.00 73.13 O ATOM 1085 OE2 GLU A 73 11.664 7.996 -5.104 1.00 34.25 O ATOM 0 H GLU A 73 7.197 5.645 -4.564 1.00 2.34 H new ATOM 0 HA GLU A 73 8.657 4.319 -2.593 1.00 3.51 H new ATOM 0 HB2 GLU A 73 10.623 5.497 -3.584 1.00 2.22 H new ATOM 0 HB3 GLU A 73 9.572 4.828 -4.817 1.00 2.22 H new ATOM 0 HG2 GLU A 73 8.655 7.009 -5.329 1.00 23.11 H new ATOM 0 HG3 GLU A 73 9.454 7.734 -3.948 1.00 23.11 H new ATOM 1092 N LYS A 74 8.114 7.460 -1.846 1.00 23.45 N ATOM 1093 CA LYS A 74 8.248 8.469 -0.799 1.00 4.23 C ATOM 1094 C LYS A 74 7.478 8.032 0.445 1.00 32.54 C ATOM 1095 O LYS A 74 7.931 8.204 1.577 1.00 63.15 O ATOM 1096 CB LYS A 74 7.713 9.829 -1.293 1.00 4.31 C ATOM 1097 CG LYS A 74 8.241 10.278 -2.662 1.00 1.35 C ATOM 1098 CD LYS A 74 9.762 10.384 -2.713 1.00 14.21 C ATOM 1099 CE LYS A 74 10.290 11.483 -1.808 1.00 51.43 C ATOM 1100 NZ LYS A 74 11.770 11.459 -1.725 1.00 11.53 N ATOM 0 H LYS A 74 7.483 7.724 -2.603 1.00 23.45 H new ATOM 0 HA LYS A 74 9.304 8.576 -0.550 1.00 4.23 H new ATOM 0 HB2 LYS A 74 6.625 9.779 -1.339 1.00 4.31 H new ATOM 0 HB3 LYS A 74 7.966 10.591 -0.556 1.00 4.31 H new ATOM 0 HG2 LYS A 74 7.907 9.573 -3.423 1.00 1.35 H new ATOM 0 HG3 LYS A 74 7.807 11.246 -2.912 1.00 1.35 H new ATOM 0 HD2 LYS A 74 10.201 9.431 -2.419 1.00 14.21 H new ATOM 0 HD3 LYS A 74 10.077 10.577 -3.738 1.00 14.21 H new ATOM 0 HE2 LYS A 74 9.962 12.453 -2.183 1.00 51.43 H new ATOM 0 HE3 LYS A 74 9.867 11.367 -0.810 1.00 51.43 H new ATOM 0 HZ1 LYS A 74 12.095 12.223 -1.099 1.00 11.53 H new ATOM 0 HZ2 LYS A 74 12.082 10.543 -1.344 1.00 11.53 H new ATOM 0 HZ3 LYS A 74 12.173 11.594 -2.674 1.00 11.53 H new ATOM 1114 N VAL A 75 6.328 7.428 0.182 1.00 41.24 N ATOM 1115 CA VAL A 75 5.365 7.022 1.196 1.00 71.30 C ATOM 1116 C VAL A 75 5.852 5.772 1.971 1.00 53.44 C ATOM 1117 O VAL A 75 5.712 5.694 3.196 1.00 74.22 O ATOM 1118 CB VAL A 75 3.993 6.753 0.515 1.00 33.11 C ATOM 1119 CG1 VAL A 75 2.894 6.603 1.534 1.00 13.31 C ATOM 1120 CG2 VAL A 75 3.628 7.864 -0.469 1.00 22.15 C ATOM 0 H VAL A 75 6.031 7.201 -0.767 1.00 41.24 H new ATOM 0 HA VAL A 75 5.258 7.826 1.924 1.00 71.30 H new ATOM 0 HB VAL A 75 4.094 5.817 -0.035 1.00 33.11 H new ATOM 0 HG11 VAL A 75 1.949 6.416 1.025 1.00 13.31 H new ATOM 0 HG12 VAL A 75 3.122 5.766 2.195 1.00 13.31 H new ATOM 0 HG13 VAL A 75 2.815 7.518 2.121 1.00 13.31 H new ATOM 0 HG21 VAL A 75 2.663 7.643 -0.926 1.00 22.15 H new ATOM 0 HG22 VAL A 75 3.569 8.815 0.061 1.00 22.15 H new ATOM 0 HG23 VAL A 75 4.391 7.928 -1.245 1.00 22.15 H new ATOM 1130 N GLU A 76 6.427 4.809 1.237 1.00 24.45 N ATOM 1131 CA GLU A 76 6.929 3.554 1.818 1.00 73.14 C ATOM 1132 C GLU A 76 8.178 3.760 2.688 1.00 4.02 C ATOM 1133 O GLU A 76 8.348 3.078 3.697 1.00 74.25 O ATOM 1134 CB GLU A 76 7.165 2.490 0.724 1.00 64.50 C ATOM 1135 CG GLU A 76 8.140 2.868 -0.389 1.00 23.13 C ATOM 1136 CD GLU A 76 9.543 2.320 -0.203 1.00 22.21 C ATOM 1137 OE1 GLU A 76 9.733 1.098 -0.352 1.00 61.32 O ATOM 1138 OE2 GLU A 76 10.473 3.114 0.047 1.00 31.41 O ATOM 0 H GLU A 76 6.557 4.877 0.228 1.00 24.45 H new ATOM 0 HA GLU A 76 6.152 3.183 2.486 1.00 73.14 H new ATOM 0 HB2 GLU A 76 7.529 1.581 1.204 1.00 64.50 H new ATOM 0 HB3 GLU A 76 6.204 2.248 0.270 1.00 64.50 H new ATOM 0 HG2 GLU A 76 7.745 2.509 -1.339 1.00 23.13 H new ATOM 0 HG3 GLU A 76 8.193 3.955 -0.456 1.00 23.13 H new ATOM 1145 N ALA A 77 9.042 4.704 2.295 1.00 63.24 N ATOM 1146 CA ALA A 77 10.233 5.058 3.079 1.00 32.41 C ATOM 1147 C ALA A 77 9.853 5.644 4.440 1.00 13.23 C ATOM 1148 O ALA A 77 10.522 5.390 5.447 1.00 21.32 O ATOM 1149 CB ALA A 77 11.097 6.037 2.306 1.00 50.53 C ATOM 0 H ALA A 77 8.938 5.240 1.433 1.00 63.24 H new ATOM 0 HA ALA A 77 10.801 4.145 3.257 1.00 32.41 H new ATOM 0 HB1 ALA A 77 11.976 6.292 2.897 1.00 50.53 H new ATOM 0 HB2 ALA A 77 11.411 5.582 1.366 1.00 50.53 H new ATOM 0 HB3 ALA A 77 10.525 6.941 2.098 1.00 50.53 H new ATOM 1155 N TYR A 78 8.744 6.385 4.450 1.00 11.12 N ATOM 1156 CA TYR A 78 8.200 6.989 5.658 1.00 20.12 C ATOM 1157 C TYR A 78 7.619 5.926 6.608 1.00 25.30 C ATOM 1158 O TYR A 78 7.675 6.089 7.821 1.00 33.25 O ATOM 1159 CB TYR A 78 7.139 8.019 5.278 1.00 12.12 C ATOM 1160 CG TYR A 78 6.851 9.037 6.352 1.00 4.23 C ATOM 1161 CD1 TYR A 78 7.818 9.954 6.730 1.00 52.44 C ATOM 1162 CD2 TYR A 78 5.612 9.098 6.973 1.00 1.40 C ATOM 1163 CE1 TYR A 78 7.565 10.901 7.695 1.00 1.33 C ATOM 1164 CE2 TYR A 78 5.349 10.048 7.936 1.00 3.21 C ATOM 1165 CZ TYR A 78 6.332 10.947 8.293 1.00 32.04 C ATOM 1166 OH TYR A 78 6.078 11.897 9.255 1.00 55.04 O ATOM 0 H TYR A 78 8.197 6.582 3.612 1.00 11.12 H new ATOM 0 HA TYR A 78 9.009 7.488 6.192 1.00 20.12 H new ATOM 0 HB2 TYR A 78 7.462 8.540 4.377 1.00 12.12 H new ATOM 0 HB3 TYR A 78 6.215 7.497 5.031 1.00 12.12 H new ATOM 0 HD1 TYR A 78 8.789 9.925 6.258 1.00 52.44 H new ATOM 0 HD2 TYR A 78 4.843 8.391 6.698 1.00 1.40 H new ATOM 0 HE1 TYR A 78 8.333 11.604 7.980 1.00 1.33 H new ATOM 0 HE2 TYR A 78 4.379 10.088 8.408 1.00 3.21 H new ATOM 0 HH TYR A 78 5.159 11.797 9.579 1.00 55.04 H new ATOM 1176 N LEU A 79 7.069 4.847 6.042 1.00 62.23 N ATOM 1177 CA LEU A 79 6.525 3.724 6.822 1.00 13.21 C ATOM 1178 C LEU A 79 7.633 3.021 7.621 1.00 64.14 C ATOM 1179 O LEU A 79 7.441 2.695 8.796 1.00 34.01 O ATOM 1180 CB LEU A 79 5.811 2.737 5.865 1.00 51.33 C ATOM 1181 CG LEU A 79 4.953 1.590 6.471 1.00 23.21 C ATOM 1182 CD1 LEU A 79 5.784 0.371 6.845 1.00 21.13 C ATOM 1183 CD2 LEU A 79 4.151 2.068 7.673 1.00 32.43 C ATOM 0 H LEU A 79 6.987 4.725 5.033 1.00 62.23 H new ATOM 0 HA LEU A 79 5.802 4.105 7.543 1.00 13.21 H new ATOM 0 HB2 LEU A 79 5.164 3.322 5.211 1.00 51.33 H new ATOM 0 HB3 LEU A 79 6.573 2.280 5.234 1.00 51.33 H new ATOM 0 HG LEU A 79 4.260 1.286 5.687 1.00 23.21 H new ATOM 0 HD11 LEU A 79 5.134 -0.398 7.263 1.00 21.13 H new ATOM 0 HD12 LEU A 79 6.281 -0.017 5.956 1.00 21.13 H new ATOM 0 HD13 LEU A 79 6.533 0.654 7.585 1.00 21.13 H new ATOM 0 HD21 LEU A 79 3.563 1.241 8.071 1.00 32.43 H new ATOM 0 HD22 LEU A 79 4.831 2.433 8.443 1.00 32.43 H new ATOM 0 HD23 LEU A 79 3.483 2.873 7.368 1.00 32.43 H new ATOM 1195 N VAL A 80 8.781 2.793 6.978 1.00 54.41 N ATOM 1196 CA VAL A 80 9.891 2.060 7.600 1.00 13.34 C ATOM 1197 C VAL A 80 10.560 2.891 8.711 1.00 54.11 C ATOM 1198 O VAL A 80 10.963 2.345 9.733 1.00 12.35 O ATOM 1199 CB VAL A 80 10.939 1.603 6.544 1.00 40.31 C ATOM 1200 CG1 VAL A 80 12.011 0.703 7.155 1.00 32.31 C ATOM 1201 CG2 VAL A 80 10.260 0.872 5.399 1.00 12.24 C ATOM 0 H VAL A 80 8.968 3.105 6.025 1.00 54.41 H new ATOM 0 HA VAL A 80 9.469 1.165 8.057 1.00 13.34 H new ATOM 0 HB VAL A 80 11.424 2.504 6.168 1.00 40.31 H new ATOM 0 HG11 VAL A 80 12.721 0.408 6.383 1.00 32.31 H new ATOM 0 HG12 VAL A 80 12.535 1.245 7.942 1.00 32.31 H new ATOM 0 HG13 VAL A 80 11.542 -0.186 7.576 1.00 32.31 H new ATOM 0 HG21 VAL A 80 11.009 0.560 4.671 1.00 12.24 H new ATOM 0 HG22 VAL A 80 9.741 -0.006 5.784 1.00 12.24 H new ATOM 0 HG23 VAL A 80 9.541 1.536 4.919 1.00 12.24 H new ATOM 1211 N GLU A 81 10.633 4.217 8.546 1.00 51.25 N ATOM 1212 CA GLU A 81 11.206 5.067 9.593 1.00 15.34 C ATOM 1213 C GLU A 81 10.226 5.285 10.761 1.00 3.25 C ATOM 1214 O GLU A 81 10.652 5.598 11.875 1.00 2.35 O ATOM 1215 CB GLU A 81 11.717 6.401 9.026 1.00 3.22 C ATOM 1216 CG GLU A 81 10.673 7.255 8.334 1.00 41.11 C ATOM 1217 CD GLU A 81 11.260 8.523 7.761 1.00 23.42 C ATOM 1218 OE1 GLU A 81 11.909 8.454 6.701 1.00 52.34 O ATOM 1219 OE2 GLU A 81 11.094 9.588 8.387 1.00 62.15 O ATOM 0 H GLU A 81 10.310 4.715 7.716 1.00 51.25 H new ATOM 0 HA GLU A 81 12.068 4.535 9.996 1.00 15.34 H new ATOM 0 HB2 GLU A 81 12.153 6.979 9.840 1.00 3.22 H new ATOM 0 HB3 GLU A 81 12.519 6.192 8.318 1.00 3.22 H new ATOM 0 HG2 GLU A 81 10.207 6.679 7.535 1.00 41.11 H new ATOM 0 HG3 GLU A 81 9.886 7.510 9.044 1.00 41.11 H new ATOM 1226 N LYS A 82 8.919 5.109 10.511 1.00 12.33 N ATOM 1227 CA LYS A 82 7.914 5.179 11.573 1.00 15.24 C ATOM 1228 C LYS A 82 7.841 3.887 12.374 1.00 14.34 C ATOM 1229 O LYS A 82 7.557 3.927 13.573 1.00 63.42 O ATOM 1230 CB LYS A 82 6.522 5.463 10.991 1.00 31.23 C ATOM 1231 CG LYS A 82 6.287 6.907 10.592 1.00 22.01 C ATOM 1232 CD LYS A 82 6.335 7.836 11.787 1.00 51.12 C ATOM 1233 CE LYS A 82 5.985 9.251 11.386 1.00 22.21 C ATOM 1234 NZ LYS A 82 5.996 10.184 12.533 1.00 50.24 N ATOM 0 H LYS A 82 8.538 4.918 9.584 1.00 12.33 H new ATOM 0 HA LYS A 82 8.220 5.991 12.233 1.00 15.24 H new ATOM 0 HB2 LYS A 82 6.372 4.829 10.117 1.00 31.23 H new ATOM 0 HB3 LYS A 82 5.770 5.176 11.726 1.00 31.23 H new ATOM 0 HG2 LYS A 82 7.041 7.210 9.865 1.00 22.01 H new ATOM 0 HG3 LYS A 82 5.318 6.995 10.102 1.00 22.01 H new ATOM 0 HD2 LYS A 82 5.640 7.488 12.551 1.00 51.12 H new ATOM 0 HD3 LYS A 82 7.331 7.815 12.229 1.00 51.12 H new ATOM 0 HE2 LYS A 82 6.693 9.597 10.633 1.00 22.21 H new ATOM 0 HE3 LYS A 82 4.998 9.261 10.924 1.00 22.21 H new ATOM 0 HZ1 LYS A 82 5.850 11.156 12.192 1.00 50.24 H new ATOM 0 HZ2 LYS A 82 5.234 9.931 13.194 1.00 50.24 H new ATOM 0 HZ3 LYS A 82 6.912 10.123 13.022 1.00 50.24 H new ATOM 1248 N GLN A 83 8.086 2.750 11.681 1.00 64.51 N ATOM 1249 CA GLN A 83 7.928 1.381 12.226 1.00 5.54 C ATOM 1250 C GLN A 83 6.471 1.085 12.621 1.00 63.14 C ATOM 1251 O GLN A 83 6.195 0.102 13.309 1.00 50.44 O ATOM 1252 CB GLN A 83 8.864 1.125 13.428 1.00 34.02 C ATOM 1253 CG GLN A 83 10.327 0.957 13.062 1.00 61.22 C ATOM 1254 CD GLN A 83 10.581 -0.303 12.267 1.00 4.34 C ATOM 1255 OE1 GLN A 83 10.803 -1.367 12.832 1.00 23.24 O ATOM 1256 NE2 GLN A 83 10.572 -0.192 10.954 1.00 14.41 N ATOM 0 H GLN A 83 8.404 2.758 10.712 1.00 64.51 H new ATOM 0 HA GLN A 83 8.210 0.700 11.423 1.00 5.54 H new ATOM 0 HB2 GLN A 83 8.771 1.955 14.128 1.00 34.02 H new ATOM 0 HB3 GLN A 83 8.528 0.229 13.950 1.00 34.02 H new ATOM 0 HG2 GLN A 83 10.656 1.821 12.484 1.00 61.22 H new ATOM 0 HG3 GLN A 83 10.926 0.936 13.972 1.00 61.22 H new ATOM 0 HE21 GLN A 83 10.383 0.711 10.520 1.00 14.41 H new ATOM 0 HE22 GLN A 83 10.754 -1.010 10.372 1.00 14.41 H new ATOM 1265 N ASP A 84 5.543 1.903 12.130 1.00 3.32 N ATOM 1266 CA ASP A 84 4.168 1.874 12.591 1.00 44.31 C ATOM 1267 C ASP A 84 3.221 2.291 11.465 1.00 63.22 C ATOM 1268 O ASP A 84 3.369 3.371 10.888 1.00 5.44 O ATOM 1269 CB ASP A 84 4.012 2.798 13.806 1.00 43.43 C ATOM 1270 CG ASP A 84 2.659 2.666 14.467 1.00 5.23 C ATOM 1271 OD1 ASP A 84 2.416 1.649 15.149 1.00 33.34 O ATOM 1272 OD2 ASP A 84 1.835 3.569 14.304 1.00 12.44 O ATOM 0 H ASP A 84 5.727 2.598 11.406 1.00 3.32 H new ATOM 0 HA ASP A 84 3.910 0.858 12.889 1.00 44.31 H new ATOM 0 HB2 ASP A 84 4.791 2.570 14.533 1.00 43.43 H new ATOM 0 HB3 ASP A 84 4.160 3.832 13.493 1.00 43.43 H new ATOM 1277 N PRO A 85 2.230 1.425 11.138 1.00 32.43 N ATOM 1278 CA PRO A 85 1.286 1.646 10.022 1.00 13.31 C ATOM 1279 C PRO A 85 0.137 2.628 10.317 1.00 72.01 C ATOM 1280 O PRO A 85 -0.719 2.838 9.461 1.00 54.22 O ATOM 1281 CB PRO A 85 0.712 0.251 9.817 1.00 14.21 C ATOM 1282 CG PRO A 85 0.710 -0.354 11.170 1.00 12.31 C ATOM 1283 CD PRO A 85 1.975 0.124 11.810 1.00 64.52 C ATOM 0 HA PRO A 85 1.795 2.096 9.169 1.00 13.31 H new ATOM 0 HB2 PRO A 85 -0.294 0.294 9.400 1.00 14.21 H new ATOM 0 HB3 PRO A 85 1.320 -0.330 9.124 1.00 14.21 H new ATOM 0 HG2 PRO A 85 -0.164 -0.041 11.741 1.00 12.31 H new ATOM 0 HG3 PRO A 85 0.682 -1.442 11.116 1.00 12.31 H new ATOM 0 HD2 PRO A 85 1.860 0.244 12.887 1.00 64.52 H new ATOM 0 HD3 PRO A 85 2.795 -0.577 11.653 1.00 64.52 H new ATOM 1291 N THR A 86 0.101 3.213 11.510 1.00 64.30 N ATOM 1292 CA THR A 86 -0.977 4.131 11.855 1.00 75.24 C ATOM 1293 C THR A 86 -0.428 5.488 12.341 1.00 54.32 C ATOM 1294 O THR A 86 -1.188 6.374 12.750 1.00 30.42 O ATOM 1295 CB THR A 86 -1.963 3.478 12.889 1.00 74.13 C ATOM 1296 OG1 THR A 86 -3.141 4.272 13.055 1.00 1.52 O ATOM 1297 CG2 THR A 86 -1.329 3.253 14.252 1.00 1.32 C ATOM 0 H THR A 86 0.795 3.071 12.244 1.00 64.30 H new ATOM 0 HA THR A 86 -1.551 4.334 10.951 1.00 75.24 H new ATOM 0 HB THR A 86 -2.224 2.506 12.470 1.00 74.13 H new ATOM 0 HG1 THR A 86 -2.911 5.221 12.966 1.00 1.52 H new ATOM 0 HG21 THR A 86 -2.059 2.800 14.923 1.00 1.32 H new ATOM 0 HG22 THR A 86 -0.470 2.590 14.149 1.00 1.32 H new ATOM 0 HG23 THR A 86 -1.002 4.208 14.663 1.00 1.32 H new ATOM 1305 N ASP A 87 0.894 5.678 12.250 1.00 42.40 N ATOM 1306 CA ASP A 87 1.500 6.930 12.688 1.00 71.12 C ATOM 1307 C ASP A 87 1.628 7.890 11.508 1.00 42.14 C ATOM 1308 O ASP A 87 2.621 7.881 10.772 1.00 64.25 O ATOM 1309 CB ASP A 87 2.856 6.695 13.352 1.00 45.03 C ATOM 1310 CG ASP A 87 3.219 7.827 14.298 1.00 24.23 C ATOM 1311 OD1 ASP A 87 3.745 8.858 13.843 1.00 4.12 O ATOM 1312 OD2 ASP A 87 2.960 7.694 15.510 1.00 72.53 O ATOM 0 H ASP A 87 1.551 4.990 11.882 1.00 42.40 H new ATOM 0 HA ASP A 87 0.848 7.380 13.437 1.00 71.12 H new ATOM 0 HB2 ASP A 87 2.835 5.754 13.901 1.00 45.03 H new ATOM 0 HB3 ASP A 87 3.625 6.599 12.586 1.00 45.03 H new ATOM 1317 N ILE A 88 0.574 8.680 11.319 1.00 60.43 N ATOM 1318 CA ILE A 88 0.473 9.640 10.229 1.00 22.01 C ATOM 1319 C ILE A 88 -0.724 10.569 10.506 1.00 11.14 C ATOM 1320 O ILE A 88 -1.689 10.161 11.159 1.00 45.03 O ATOM 1321 CB ILE A 88 0.325 8.907 8.843 1.00 35.11 C ATOM 1322 CG1 ILE A 88 0.437 9.882 7.660 1.00 3.34 C ATOM 1323 CG2 ILE A 88 -0.983 8.119 8.753 1.00 50.24 C ATOM 1324 CD1 ILE A 88 1.805 10.508 7.500 1.00 2.44 C ATOM 0 H ILE A 88 -0.244 8.669 11.928 1.00 60.43 H new ATOM 0 HA ILE A 88 1.385 10.234 10.174 1.00 22.01 H new ATOM 0 HB ILE A 88 1.154 8.202 8.781 1.00 35.11 H new ATOM 0 HG12 ILE A 88 0.182 9.353 6.742 1.00 3.34 H new ATOM 0 HG13 ILE A 88 -0.301 10.675 7.786 1.00 3.34 H new ATOM 0 HG21 ILE A 88 -1.046 7.628 7.782 1.00 50.24 H new ATOM 0 HG22 ILE A 88 -1.010 7.367 9.542 1.00 50.24 H new ATOM 0 HG23 ILE A 88 -1.826 8.799 8.871 1.00 50.24 H new ATOM 0 HD11 ILE A 88 1.799 11.182 6.643 1.00 2.44 H new ATOM 0 HD12 ILE A 88 2.056 11.068 8.401 1.00 2.44 H new ATOM 0 HD13 ILE A 88 2.547 9.725 7.340 1.00 2.44 H new ATOM 1336 N LYS A 89 -0.635 11.822 10.073 1.00 42.52 N ATOM 1337 CA LYS A 89 -1.760 12.744 10.170 1.00 45.01 C ATOM 1338 C LYS A 89 -2.045 13.373 8.811 1.00 41.34 C ATOM 1339 O LYS A 89 -1.147 13.921 8.166 1.00 13.42 O ATOM 1340 CB LYS A 89 -1.492 13.824 11.235 1.00 60.14 C ATOM 1341 CG LYS A 89 -2.653 14.795 11.464 1.00 3.11 C ATOM 1342 CD LYS A 89 -3.930 14.071 11.871 1.00 71.02 C ATOM 1343 CE LYS A 89 -5.105 15.024 12.028 1.00 13.10 C ATOM 1344 NZ LYS A 89 -4.996 15.861 13.251 1.00 25.31 N ATOM 0 H LYS A 89 0.204 12.222 9.652 1.00 42.52 H new ATOM 0 HA LYS A 89 -2.642 12.184 10.480 1.00 45.01 H new ATOM 0 HB2 LYS A 89 -1.254 13.334 12.179 1.00 60.14 H new ATOM 0 HB3 LYS A 89 -0.611 14.395 10.941 1.00 60.14 H new ATOM 0 HG2 LYS A 89 -2.379 15.511 12.239 1.00 3.11 H new ATOM 0 HG3 LYS A 89 -2.834 15.365 10.553 1.00 3.11 H new ATOM 0 HD2 LYS A 89 -4.173 13.317 11.122 1.00 71.02 H new ATOM 0 HD3 LYS A 89 -3.763 13.544 12.811 1.00 71.02 H new ATOM 0 HE2 LYS A 89 -5.164 15.671 11.153 1.00 13.10 H new ATOM 0 HE3 LYS A 89 -6.032 14.451 12.064 1.00 13.10 H new ATOM 0 HZ1 LYS A 89 -5.819 16.493 13.313 1.00 25.31 H new ATOM 0 HZ2 LYS A 89 -4.966 15.247 14.090 1.00 25.31 H new ATOM 0 HZ3 LYS A 89 -4.126 16.429 13.207 1.00 25.31 H new ATOM 1358 N TYR A 90 -3.298 13.266 8.377 1.00 14.34 N ATOM 1359 CA TYR A 90 -3.744 13.873 7.128 1.00 12.41 C ATOM 1360 C TYR A 90 -4.525 15.148 7.407 1.00 32.24 C ATOM 1361 O TYR A 90 -5.144 15.286 8.465 1.00 2.33 O ATOM 1362 CB TYR A 90 -4.636 12.919 6.324 1.00 51.15 C ATOM 1363 CG TYR A 90 -4.090 11.518 6.165 1.00 34.32 C ATOM 1364 CD1 TYR A 90 -2.842 11.286 5.601 1.00 55.31 C ATOM 1365 CD2 TYR A 90 -4.838 10.428 6.574 1.00 11.31 C ATOM 1366 CE1 TYR A 90 -2.359 10.004 5.454 1.00 23.54 C ATOM 1367 CE2 TYR A 90 -4.362 9.144 6.431 1.00 44.11 C ATOM 1368 CZ TYR A 90 -3.124 8.938 5.871 1.00 12.55 C ATOM 1369 OH TYR A 90 -2.647 7.657 5.725 1.00 44.40 O ATOM 0 H TYR A 90 -4.028 12.759 8.878 1.00 14.34 H new ATOM 0 HA TYR A 90 -2.851 14.099 6.545 1.00 12.41 H new ATOM 0 HB2 TYR A 90 -5.610 12.861 6.809 1.00 51.15 H new ATOM 0 HB3 TYR A 90 -4.798 13.345 5.334 1.00 51.15 H new ATOM 0 HD1 TYR A 90 -2.242 12.122 5.273 1.00 55.31 H new ATOM 0 HD2 TYR A 90 -5.812 10.587 7.013 1.00 11.31 H new ATOM 0 HE1 TYR A 90 -1.387 9.836 5.015 1.00 23.54 H new ATOM 0 HE2 TYR A 90 -4.958 8.304 6.757 1.00 44.11 H new ATOM 0 HH TYR A 90 -3.344 7.017 5.980 1.00 44.40 H new ATOM 1379 N LYS A 91 -4.474 16.089 6.469 1.00 35.33 N ATOM 1380 CA LYS A 91 -5.258 17.314 6.585 1.00 61.02 C ATOM 1381 C LYS A 91 -5.905 17.720 5.249 1.00 0.30 C ATOM 1382 O LYS A 91 -5.466 18.668 4.595 1.00 3.04 O ATOM 1383 CB LYS A 91 -4.368 18.474 7.127 1.00 74.23 C ATOM 1384 CG LYS A 91 -2.825 18.294 7.012 1.00 73.13 C ATOM 1385 CD LYS A 91 -2.261 18.357 5.583 1.00 42.50 C ATOM 1386 CE LYS A 91 -2.458 19.720 4.933 1.00 65.33 C ATOM 1387 NZ LYS A 91 -1.497 19.955 3.829 1.00 32.01 N ATOM 0 H LYS A 91 -3.903 16.028 5.626 1.00 35.33 H new ATOM 0 HA LYS A 91 -6.066 17.117 7.290 1.00 61.02 H new ATOM 0 HB2 LYS A 91 -4.643 19.387 6.599 1.00 74.23 H new ATOM 0 HB3 LYS A 91 -4.614 18.627 8.178 1.00 74.23 H new ATOM 0 HG2 LYS A 91 -2.340 19.065 7.611 1.00 73.13 H new ATOM 0 HG3 LYS A 91 -2.554 17.333 7.450 1.00 73.13 H new ATOM 0 HD2 LYS A 91 -1.197 18.120 5.606 1.00 42.50 H new ATOM 0 HD3 LYS A 91 -2.744 17.594 4.972 1.00 42.50 H new ATOM 0 HE2 LYS A 91 -3.476 19.795 4.549 1.00 65.33 H new ATOM 0 HE3 LYS A 91 -2.343 20.500 5.686 1.00 65.33 H new ATOM 0 HZ1 LYS A 91 -1.667 20.894 3.415 1.00 32.01 H new ATOM 0 HZ2 LYS A 91 -0.526 19.910 4.199 1.00 32.01 H new ATOM 0 HZ3 LYS A 91 -1.623 19.226 3.098 1.00 32.01 H new ATOM 1401 N ASP A 92 -6.967 16.995 4.861 1.00 74.24 N ATOM 1402 CA ASP A 92 -7.818 17.359 3.713 1.00 52.21 C ATOM 1403 C ASP A 92 -9.117 16.529 3.739 1.00 4.02 C ATOM 1404 O ASP A 92 -9.499 15.999 4.784 1.00 21.33 O ATOM 1405 CB ASP A 92 -7.063 17.155 2.368 1.00 22.43 C ATOM 1406 CG ASP A 92 -6.821 15.707 2.028 1.00 22.35 C ATOM 1407 OD1 ASP A 92 -6.390 14.962 2.909 1.00 2.00 O ATOM 1408 OD2 ASP A 92 -7.093 15.305 0.882 1.00 32.14 O ATOM 0 H ASP A 92 -7.261 16.140 5.333 1.00 74.24 H new ATOM 0 HA ASP A 92 -8.072 18.416 3.793 1.00 52.21 H new ATOM 0 HB2 ASP A 92 -7.637 17.618 1.565 1.00 22.43 H new ATOM 0 HB3 ASP A 92 -6.106 17.674 2.416 1.00 22.43 H new ATOM 1413 N ASN A 93 -9.766 16.422 2.573 1.00 50.54 N ATOM 1414 CA ASN A 93 -10.961 15.599 2.370 1.00 21.10 C ATOM 1415 C ASN A 93 -10.670 14.085 2.393 1.00 1.23 C ATOM 1416 O ASN A 93 -11.558 13.309 2.741 1.00 50.23 O ATOM 1417 CB ASN A 93 -11.602 15.909 1.010 1.00 2.04 C ATOM 1418 CG ASN A 93 -12.135 17.327 0.840 1.00 3.41 C ATOM 1419 OD1 ASN A 93 -11.614 18.295 1.391 1.00 22.24 O ATOM 1420 ND2 ASN A 93 -13.189 17.460 0.053 1.00 54.20 N ATOM 0 H ASN A 93 -9.469 16.914 1.730 1.00 50.54 H new ATOM 0 HA ASN A 93 -11.625 15.846 3.199 1.00 21.10 H new ATOM 0 HB2 ASN A 93 -10.864 15.722 0.230 1.00 2.04 H new ATOM 0 HB3 ASN A 93 -12.422 15.210 0.848 1.00 2.04 H new ATOM 0 HD21 ASN A 93 -13.590 18.383 -0.110 1.00 54.20 H new ATOM 0 HD22 ASN A 93 -13.601 16.639 -0.391 1.00 54.20 H new ATOM 1427 N ASP A 94 -9.447 13.664 2.028 1.00 41.41 N ATOM 1428 CA ASP A 94 -9.185 12.245 1.759 1.00 54.25 C ATOM 1429 C ASP A 94 -8.074 11.684 2.649 1.00 3.32 C ATOM 1430 O ASP A 94 -8.342 10.887 3.548 1.00 14.23 O ATOM 1431 CB ASP A 94 -8.798 12.015 0.289 1.00 2.34 C ATOM 1432 CG ASP A 94 -9.351 10.711 -0.260 1.00 33.44 C ATOM 1433 OD1 ASP A 94 -8.718 9.654 -0.070 1.00 3.15 O ATOM 1434 OD2 ASP A 94 -10.419 10.747 -0.900 1.00 45.13 O ATOM 0 H ASP A 94 -8.639 14.276 1.915 1.00 41.41 H new ATOM 0 HA ASP A 94 -10.115 11.721 1.981 1.00 54.25 H new ATOM 0 HB2 ASP A 94 -9.166 12.845 -0.314 1.00 2.34 H new ATOM 0 HB3 ASP A 94 -7.712 12.012 0.199 1.00 2.34 H new ATOM 1439 N GLY A 95 -6.839 12.135 2.425 1.00 13.44 N ATOM 1440 CA GLY A 95 -5.695 11.478 3.023 1.00 70.53 C ATOM 1441 C GLY A 95 -4.366 12.028 2.537 1.00 4.25 C ATOM 1442 O GLY A 95 -3.448 11.278 2.265 1.00 22.31 O ATOM 0 H GLY A 95 -6.615 12.941 1.841 1.00 13.44 H new ATOM 0 HA2 GLY A 95 -5.750 11.583 4.107 1.00 70.53 H new ATOM 0 HA3 GLY A 95 -5.741 10.411 2.803 1.00 70.53 H new ATOM 1446 N HIS A 96 -4.263 13.335 2.456 1.00 24.33 N ATOM 1447 CA HIS A 96 -3.042 14.012 2.053 1.00 1.24 C ATOM 1448 C HIS A 96 -2.279 14.511 3.258 1.00 52.43 C ATOM 1449 O HIS A 96 -2.860 15.044 4.200 1.00 32.21 O ATOM 1450 CB HIS A 96 -3.353 15.182 1.122 1.00 51.50 C ATOM 1451 CG HIS A 96 -3.621 14.762 -0.285 1.00 11.31 C ATOM 1452 ND1 HIS A 96 -4.879 14.756 -0.840 1.00 51.02 N ATOM 1453 CD2 HIS A 96 -2.788 14.314 -1.246 1.00 23.34 C ATOM 1454 CE1 HIS A 96 -4.812 14.326 -2.077 1.00 54.42 C ATOM 1455 NE2 HIS A 96 -3.556 14.051 -2.353 1.00 12.20 N ATOM 0 H HIS A 96 -5.032 13.970 2.670 1.00 24.33 H new ATOM 0 HA HIS A 96 -2.424 13.289 1.520 1.00 1.24 H new ATOM 0 HB2 HIS A 96 -4.220 15.721 1.504 1.00 51.50 H new ATOM 0 HB3 HIS A 96 -2.515 15.878 1.132 1.00 51.50 H new ATOM 0 HD1 HIS A 96 -5.734 15.042 -0.363 1.00 51.02 H new ATOM 0 HD2 HIS A 96 -1.719 14.186 -1.161 1.00 23.34 H new ATOM 0 HE1 HIS A 96 -5.646 14.216 -2.754 1.00 54.42 H new ATOM 0 HE2 HIS A 96 -3.209 13.699 -3.245 1.00 12.20 H new ATOM 1464 N THR A 97 -0.976 14.358 3.204 1.00 12.32 N ATOM 1465 CA THR A 97 -0.111 14.760 4.288 1.00 43.04 C ATOM 1466 C THR A 97 1.097 15.502 3.718 1.00 11.12 C ATOM 1467 O THR A 97 1.567 15.189 2.618 1.00 40.32 O ATOM 1468 CB THR A 97 0.318 13.539 5.156 1.00 55.54 C ATOM 1469 OG1 THR A 97 1.148 13.962 6.241 1.00 20.51 O ATOM 1470 CG2 THR A 97 1.045 12.469 4.345 1.00 42.21 C ATOM 0 H THR A 97 -0.486 13.951 2.407 1.00 12.32 H new ATOM 0 HA THR A 97 -0.656 15.433 4.950 1.00 43.04 H new ATOM 0 HB THR A 97 -0.599 13.095 5.543 1.00 55.54 H new ATOM 0 HG1 THR A 97 0.608 14.037 7.056 1.00 20.51 H new ATOM 0 HG21 THR A 97 1.321 11.642 4.999 1.00 42.21 H new ATOM 0 HG22 THR A 97 0.389 12.104 3.554 1.00 42.21 H new ATOM 0 HG23 THR A 97 1.944 12.897 3.902 1.00 42.21 H new ATOM 1478 N ASP A 98 1.579 16.498 4.451 1.00 33.40 N ATOM 1479 CA ASP A 98 2.733 17.271 4.003 1.00 15.12 C ATOM 1480 C ASP A 98 3.988 16.812 4.756 1.00 72.55 C ATOM 1481 O ASP A 98 5.097 17.284 4.502 1.00 13.23 O ATOM 1482 CB ASP A 98 2.481 18.772 4.184 1.00 41.35 C ATOM 1483 CG ASP A 98 3.412 19.643 3.346 1.00 42.35 C ATOM 1484 OD1 ASP A 98 3.230 19.690 2.112 1.00 3.53 O ATOM 1485 OD2 ASP A 98 4.316 20.287 3.920 1.00 75.25 O ATOM 0 H ASP A 98 1.194 16.788 5.350 1.00 33.40 H new ATOM 0 HA ASP A 98 2.892 17.096 2.939 1.00 15.12 H new ATOM 0 HB2 ASP A 98 1.448 18.995 3.918 1.00 41.35 H new ATOM 0 HB3 ASP A 98 2.602 19.030 5.236 1.00 41.35 H new ATOM 1490 N ALA A 99 3.793 15.838 5.664 1.00 21.54 N ATOM 1491 CA ALA A 99 4.891 15.204 6.385 1.00 30.14 C ATOM 1492 C ALA A 99 5.708 14.339 5.428 1.00 14.53 C ATOM 1493 O ALA A 99 6.915 14.166 5.600 1.00 73.12 O ATOM 1494 CB ALA A 99 4.351 14.380 7.543 1.00 52.33 C ATOM 0 H ALA A 99 2.872 15.476 5.911 1.00 21.54 H new ATOM 0 HA ALA A 99 5.545 15.973 6.795 1.00 30.14 H new ATOM 0 HB1 ALA A 99 5.180 13.911 8.074 1.00 52.33 H new ATOM 0 HB2 ALA A 99 3.803 15.028 8.226 1.00 52.33 H new ATOM 0 HB3 ALA A 99 3.683 13.609 7.160 1.00 52.33 H new ATOM 1500 N ILE A 100 5.026 13.797 4.421 1.00 35.12 N ATOM 1501 CA ILE A 100 5.685 13.214 3.268 1.00 24.23 C ATOM 1502 C ILE A 100 5.579 14.207 2.112 1.00 3.33 C ATOM 1503 O ILE A 100 4.574 14.225 1.393 1.00 65.44 O ATOM 1504 CB ILE A 100 5.056 11.870 2.821 1.00 54.04 C ATOM 1505 CG1 ILE A 100 4.723 10.985 4.026 1.00 14.44 C ATOM 1506 CG2 ILE A 100 6.015 11.148 1.880 1.00 24.44 C ATOM 1507 CD1 ILE A 100 3.912 9.754 3.681 1.00 51.44 C ATOM 0 H ILE A 100 4.008 13.753 4.387 1.00 35.12 H new ATOM 0 HA ILE A 100 6.719 13.009 3.546 1.00 24.23 H new ATOM 0 HB ILE A 100 4.123 12.080 2.298 1.00 54.04 H new ATOM 0 HG12 ILE A 100 5.652 10.673 4.503 1.00 14.44 H new ATOM 0 HG13 ILE A 100 4.173 11.577 4.757 1.00 14.44 H new ATOM 0 HG21 ILE A 100 5.573 10.203 1.565 1.00 24.44 H new ATOM 0 HG22 ILE A 100 6.203 11.770 1.005 1.00 24.44 H new ATOM 0 HG23 ILE A 100 6.955 10.955 2.397 1.00 24.44 H new ATOM 0 HD11 ILE A 100 3.718 9.180 4.587 1.00 51.44 H new ATOM 0 HD12 ILE A 100 2.965 10.056 3.233 1.00 51.44 H new ATOM 0 HD13 ILE A 100 4.468 9.138 2.974 1.00 51.44 H new ATOM 1519 N SER A 101 6.580 15.070 1.988 1.00 44.44 N ATOM 1520 CA SER A 101 6.633 16.054 0.911 1.00 14.32 C ATOM 1521 C SER A 101 6.996 15.384 -0.411 1.00 41.22 C ATOM 1522 O SER A 101 8.136 14.957 -0.616 1.00 30.52 O ATOM 1523 CB SER A 101 7.637 17.158 1.248 1.00 3.50 C ATOM 1524 OG SER A 101 7.352 17.738 2.511 1.00 43.34 O ATOM 0 H SER A 101 7.374 15.109 2.627 1.00 44.44 H new ATOM 0 HA SER A 101 5.646 16.504 0.806 1.00 14.32 H new ATOM 0 HB2 SER A 101 8.647 16.747 1.252 1.00 3.50 H new ATOM 0 HB3 SER A 101 7.609 17.927 0.476 1.00 3.50 H new ATOM 0 HG SER A 101 6.497 17.393 2.844 1.00 43.34 H new ATOM 1530 N GLY A 102 5.997 15.259 -1.275 1.00 70.43 N ATOM 1531 CA GLY A 102 6.183 14.611 -2.559 1.00 53.13 C ATOM 1532 C GLY A 102 5.021 13.705 -2.912 1.00 0.40 C ATOM 1533 O GLY A 102 4.889 13.272 -4.056 1.00 61.42 O ATOM 0 H GLY A 102 5.050 15.599 -1.106 1.00 70.43 H new ATOM 0 HA2 GLY A 102 6.300 15.369 -3.334 1.00 53.13 H new ATOM 0 HA3 GLY A 102 7.104 14.029 -2.541 1.00 53.13 H new ATOM 1537 N ALA A 103 4.179 13.412 -1.927 1.00 22.33 N ATOM 1538 CA ALA A 103 3.010 12.578 -2.146 1.00 65.14 C ATOM 1539 C ALA A 103 1.777 13.422 -2.464 1.00 43.32 C ATOM 1540 O ALA A 103 1.088 13.924 -1.569 1.00 15.32 O ATOM 1541 CB ALA A 103 2.771 11.689 -0.943 1.00 62.14 C ATOM 0 H ALA A 103 4.287 13.742 -0.968 1.00 22.33 H new ATOM 0 HA ALA A 103 3.198 11.944 -3.012 1.00 65.14 H new ATOM 0 HB1 ALA A 103 1.892 11.068 -1.118 1.00 62.14 H new ATOM 0 HB2 ALA A 103 3.640 11.051 -0.784 1.00 62.14 H new ATOM 0 HB3 ALA A 103 2.608 12.307 -0.060 1.00 62.14 H new ATOM 1547 N THR A 104 1.533 13.597 -3.757 1.00 72.01 N ATOM 1548 CA THR A 104 0.371 14.326 -4.245 1.00 23.54 C ATOM 1549 C THR A 104 -0.799 13.349 -4.490 1.00 71.54 C ATOM 1550 O THR A 104 -1.937 13.756 -4.732 1.00 63.24 O ATOM 1551 CB THR A 104 0.731 15.116 -5.529 1.00 20.54 C ATOM 1552 OG1 THR A 104 2.033 15.705 -5.376 1.00 34.24 O ATOM 1553 CG2 THR A 104 -0.268 16.234 -5.810 1.00 11.55 C ATOM 0 H THR A 104 2.136 13.237 -4.497 1.00 72.01 H new ATOM 0 HA THR A 104 0.056 15.047 -3.491 1.00 23.54 H new ATOM 0 HB THR A 104 0.710 14.413 -6.362 1.00 20.54 H new ATOM 0 HG1 THR A 104 2.264 16.204 -6.187 1.00 34.24 H new ATOM 0 HG21 THR A 104 0.022 16.762 -6.718 1.00 11.55 H new ATOM 0 HG22 THR A 104 -1.263 15.809 -5.940 1.00 11.55 H new ATOM 0 HG23 THR A 104 -0.278 16.932 -4.973 1.00 11.55 H new ATOM 1561 N ILE A 105 -0.502 12.050 -4.414 1.00 11.53 N ATOM 1562 CA ILE A 105 -1.531 11.024 -4.307 1.00 54.44 C ATOM 1563 C ILE A 105 -1.871 10.889 -2.812 1.00 44.33 C ATOM 1564 O ILE A 105 -1.007 11.153 -1.957 1.00 14.00 O ATOM 1565 CB ILE A 105 -1.034 9.682 -4.969 1.00 43.40 C ATOM 1566 CG1 ILE A 105 -2.204 8.789 -5.476 1.00 71.11 C ATOM 1567 CG2 ILE A 105 -0.072 8.894 -4.067 1.00 51.32 C ATOM 1568 CD1 ILE A 105 -2.874 7.881 -4.454 1.00 23.11 C ATOM 0 H ILE A 105 0.451 11.686 -4.425 1.00 11.53 H new ATOM 0 HA ILE A 105 -2.439 11.290 -4.849 1.00 54.44 H new ATOM 0 HB ILE A 105 -0.466 9.986 -5.848 1.00 43.40 H new ATOM 0 HG12 ILE A 105 -2.967 9.440 -5.902 1.00 71.11 H new ATOM 0 HG13 ILE A 105 -1.828 8.166 -6.287 1.00 71.11 H new ATOM 0 HG21 ILE A 105 0.237 7.980 -4.575 1.00 51.32 H new ATOM 0 HG22 ILE A 105 0.806 9.503 -3.851 1.00 51.32 H new ATOM 0 HG23 ILE A 105 -0.575 8.639 -3.134 1.00 51.32 H new ATOM 0 HD11 ILE A 105 -3.670 7.315 -4.937 1.00 23.11 H new ATOM 0 HD12 ILE A 105 -2.137 7.192 -4.042 1.00 23.11 H new ATOM 0 HD13 ILE A 105 -3.295 8.486 -3.651 1.00 23.11 H new ATOM 1580 N LYS A 106 -3.129 10.589 -2.483 1.00 11.11 N ATOM 1581 CA LYS A 106 -3.513 10.409 -1.090 1.00 32.43 C ATOM 1582 C LYS A 106 -2.853 9.162 -0.481 1.00 64.22 C ATOM 1583 O LYS A 106 -2.995 8.037 -0.961 1.00 23.24 O ATOM 1584 CB LYS A 106 -5.047 10.417 -0.877 1.00 4.04 C ATOM 1585 CG LYS A 106 -5.840 9.260 -1.482 1.00 75.45 C ATOM 1586 CD LYS A 106 -6.144 9.462 -2.955 1.00 33.15 C ATOM 1587 CE LYS A 106 -7.109 8.409 -3.470 1.00 24.44 C ATOM 1588 NZ LYS A 106 -8.472 8.574 -2.894 1.00 74.35 N ATOM 0 H LYS A 106 -3.887 10.468 -3.155 1.00 11.11 H new ATOM 0 HA LYS A 106 -3.135 11.278 -0.552 1.00 32.43 H new ATOM 0 HB2 LYS A 106 -5.239 10.434 0.196 1.00 4.04 H new ATOM 0 HB3 LYS A 106 -5.440 11.347 -1.287 1.00 4.04 H new ATOM 0 HG2 LYS A 106 -5.278 8.335 -1.355 1.00 75.45 H new ATOM 0 HG3 LYS A 106 -6.776 9.142 -0.935 1.00 75.45 H new ATOM 0 HD2 LYS A 106 -6.570 10.454 -3.108 1.00 33.15 H new ATOM 0 HD3 LYS A 106 -5.218 9.421 -3.528 1.00 33.15 H new ATOM 0 HE2 LYS A 106 -7.165 8.469 -4.557 1.00 24.44 H new ATOM 0 HE3 LYS A 106 -6.729 7.417 -3.224 1.00 24.44 H new ATOM 0 HZ1 LYS A 106 -9.116 7.879 -3.322 1.00 74.35 H new ATOM 0 HZ2 LYS A 106 -8.435 8.425 -1.865 1.00 74.35 H new ATOM 0 HZ3 LYS A 106 -8.819 9.534 -3.092 1.00 74.35 H new ATOM 1602 N VAL A 107 -2.129 9.432 0.592 1.00 31.32 N ATOM 1603 CA VAL A 107 -1.358 8.464 1.377 1.00 1.11 C ATOM 1604 C VAL A 107 -2.282 7.569 2.236 1.00 25.21 C ATOM 1605 O VAL A 107 -1.854 6.526 2.750 1.00 62.41 O ATOM 1606 CB VAL A 107 -0.365 9.292 2.253 1.00 22.32 C ATOM 1607 CG1 VAL A 107 0.381 8.487 3.287 1.00 33.24 C ATOM 1608 CG2 VAL A 107 0.643 9.984 1.370 1.00 35.13 C ATOM 0 H VAL A 107 -2.055 10.379 0.964 1.00 31.32 H new ATOM 0 HA VAL A 107 -0.813 7.779 0.728 1.00 1.11 H new ATOM 0 HB VAL A 107 -0.986 10.005 2.796 1.00 22.32 H new ATOM 0 HG11 VAL A 107 1.047 9.143 3.848 1.00 33.24 H new ATOM 0 HG12 VAL A 107 -0.331 8.023 3.970 1.00 33.24 H new ATOM 0 HG13 VAL A 107 0.967 7.713 2.792 1.00 33.24 H new ATOM 0 HG21 VAL A 107 1.333 10.560 1.987 1.00 35.13 H new ATOM 0 HG22 VAL A 107 1.200 9.240 0.801 1.00 35.13 H new ATOM 0 HG23 VAL A 107 0.126 10.653 0.683 1.00 35.13 H new ATOM 1618 N LYS A 108 -3.561 7.980 2.315 1.00 20.50 N ATOM 1619 CA LYS A 108 -4.609 7.324 3.108 1.00 1.32 C ATOM 1620 C LYS A 108 -4.670 5.816 2.884 1.00 71.13 C ATOM 1621 O LYS A 108 -4.616 5.066 3.841 1.00 21.00 O ATOM 1622 CB LYS A 108 -5.967 7.931 2.747 1.00 60.13 C ATOM 1623 CG LYS A 108 -7.127 7.424 3.585 1.00 1.12 C ATOM 1624 CD LYS A 108 -8.449 7.651 2.877 1.00 73.12 C ATOM 1625 CE LYS A 108 -9.633 7.353 3.781 1.00 40.14 C ATOM 1626 NZ LYS A 108 -9.732 8.323 4.903 1.00 74.05 N ATOM 0 H LYS A 108 -3.900 8.801 1.814 1.00 20.50 H new ATOM 0 HA LYS A 108 -4.366 7.489 4.158 1.00 1.32 H new ATOM 0 HB2 LYS A 108 -5.906 9.014 2.852 1.00 60.13 H new ATOM 0 HB3 LYS A 108 -6.176 7.724 1.697 1.00 60.13 H new ATOM 0 HG2 LYS A 108 -6.997 6.361 3.787 1.00 1.12 H new ATOM 0 HG3 LYS A 108 -7.134 7.933 4.549 1.00 1.12 H new ATOM 0 HD2 LYS A 108 -8.505 8.684 2.534 1.00 73.12 H new ATOM 0 HD3 LYS A 108 -8.500 7.018 1.991 1.00 73.12 H new ATOM 0 HE2 LYS A 108 -10.552 7.380 3.196 1.00 40.14 H new ATOM 0 HE3 LYS A 108 -9.539 6.343 4.181 1.00 40.14 H new ATOM 0 HZ1 LYS A 108 -10.732 8.476 5.143 1.00 74.05 H new ATOM 0 HZ2 LYS A 108 -9.231 7.946 5.733 1.00 74.05 H new ATOM 0 HZ3 LYS A 108 -9.302 9.227 4.620 1.00 74.05 H new ATOM 1640 N LYS A 109 -4.729 5.398 1.614 1.00 34.04 N ATOM 1641 CA LYS A 109 -4.909 3.991 1.251 1.00 61.42 C ATOM 1642 C LYS A 109 -3.687 3.132 1.632 1.00 2.31 C ATOM 1643 O LYS A 109 -3.835 1.952 1.953 1.00 21.32 O ATOM 1644 CB LYS A 109 -5.184 3.893 -0.258 1.00 42.52 C ATOM 1645 CG LYS A 109 -5.588 2.501 -0.737 1.00 31.22 C ATOM 1646 CD LYS A 109 -7.070 2.210 -0.518 1.00 10.32 C ATOM 1647 CE LYS A 109 -7.969 3.018 -1.453 1.00 42.13 C ATOM 1648 NZ LYS A 109 -7.605 2.848 -2.887 1.00 21.05 N ATOM 0 H LYS A 109 -4.653 6.025 0.813 1.00 34.04 H new ATOM 0 HA LYS A 109 -5.758 3.599 1.812 1.00 61.42 H new ATOM 0 HB2 LYS A 109 -5.975 4.597 -0.517 1.00 42.52 H new ATOM 0 HB3 LYS A 109 -4.290 4.205 -0.799 1.00 42.52 H new ATOM 0 HG2 LYS A 109 -5.356 2.405 -1.798 1.00 31.22 H new ATOM 0 HG3 LYS A 109 -4.994 1.754 -0.211 1.00 31.22 H new ATOM 0 HD2 LYS A 109 -7.255 1.147 -0.671 1.00 10.32 H new ATOM 0 HD3 LYS A 109 -7.332 2.434 0.516 1.00 10.32 H new ATOM 0 HE2 LYS A 109 -9.005 2.714 -1.307 1.00 42.13 H new ATOM 0 HE3 LYS A 109 -7.906 4.074 -1.189 1.00 42.13 H new ATOM 0 HZ1 LYS A 109 -8.423 3.087 -3.483 1.00 21.05 H new ATOM 0 HZ2 LYS A 109 -6.810 3.477 -3.120 1.00 21.05 H new ATOM 0 HZ3 LYS A 109 -7.328 1.861 -3.060 1.00 21.05 H new ATOM 1662 N PHE A 110 -2.497 3.740 1.618 1.00 72.24 N ATOM 1663 CA PHE A 110 -1.261 3.046 1.976 1.00 60.24 C ATOM 1664 C PHE A 110 -1.260 2.660 3.455 1.00 33.31 C ATOM 1665 O PHE A 110 -1.108 1.489 3.783 1.00 11.23 O ATOM 1666 CB PHE A 110 -0.030 3.920 1.650 1.00 14.24 C ATOM 1667 CG PHE A 110 1.272 3.314 2.100 1.00 24.54 C ATOM 1668 CD1 PHE A 110 1.846 2.251 1.420 1.00 70.00 C ATOM 1669 CD2 PHE A 110 1.900 3.794 3.236 1.00 73.04 C ATOM 1670 CE1 PHE A 110 3.016 1.678 1.876 1.00 1.42 C ATOM 1671 CE2 PHE A 110 3.066 3.234 3.686 1.00 13.22 C ATOM 1672 CZ PHE A 110 3.624 2.174 3.014 1.00 20.52 C ATOM 0 H PHE A 110 -2.366 4.718 1.360 1.00 72.24 H new ATOM 0 HA PHE A 110 -1.206 2.133 1.383 1.00 60.24 H new ATOM 0 HB2 PHE A 110 0.010 4.090 0.574 1.00 14.24 H new ATOM 0 HB3 PHE A 110 -0.151 4.895 2.123 1.00 14.24 H new ATOM 0 HD1 PHE A 110 1.374 1.868 0.527 1.00 70.00 H new ATOM 0 HD2 PHE A 110 1.464 4.622 3.775 1.00 73.04 H new ATOM 0 HE1 PHE A 110 3.455 0.846 1.346 1.00 1.42 H new ATOM 0 HE2 PHE A 110 3.547 3.626 4.570 1.00 13.22 H new ATOM 0 HZ PHE A 110 4.539 1.728 3.375 1.00 20.52 H new ATOM 1682 N PHE A 111 -1.440 3.651 4.329 1.00 44.34 N ATOM 1683 CA PHE A 111 -1.428 3.419 5.774 1.00 1.13 C ATOM 1684 C PHE A 111 -2.670 2.647 6.237 1.00 33.12 C ATOM 1685 O PHE A 111 -2.619 1.947 7.242 1.00 52.33 O ATOM 1686 CB PHE A 111 -1.289 4.735 6.545 1.00 54.03 C ATOM 1687 CG PHE A 111 0.132 5.235 6.658 1.00 24.35 C ATOM 1688 CD1 PHE A 111 0.966 4.784 7.667 1.00 31.04 C ATOM 1689 CD2 PHE A 111 0.628 6.160 5.766 1.00 32.54 C ATOM 1690 CE1 PHE A 111 2.262 5.245 7.787 1.00 22.12 C ATOM 1691 CE2 PHE A 111 1.930 6.628 5.876 1.00 72.14 C ATOM 1692 CZ PHE A 111 2.746 6.167 6.888 1.00 41.32 C ATOM 0 H PHE A 111 -1.596 4.623 4.061 1.00 44.34 H new ATOM 0 HA PHE A 111 -0.556 2.802 5.992 1.00 1.13 H new ATOM 0 HB2 PHE A 111 -1.893 5.497 6.054 1.00 54.03 H new ATOM 0 HB3 PHE A 111 -1.697 4.602 7.547 1.00 54.03 H new ATOM 0 HD1 PHE A 111 0.595 4.057 8.374 1.00 31.04 H new ATOM 0 HD2 PHE A 111 -0.004 6.526 4.971 1.00 32.54 H new ATOM 0 HE1 PHE A 111 2.894 4.883 8.584 1.00 22.12 H new ATOM 0 HE2 PHE A 111 2.304 7.353 5.169 1.00 72.14 H new ATOM 0 HZ PHE A 111 3.760 6.528 6.974 1.00 41.32 H new ATOM 1702 N ASP A 112 -3.763 2.777 5.477 1.00 44.03 N ATOM 1703 CA ASP A 112 -5.021 2.054 5.721 1.00 72.25 C ATOM 1704 C ASP A 112 -4.809 0.550 5.641 1.00 22.13 C ATOM 1705 O ASP A 112 -5.093 -0.184 6.582 1.00 14.12 O ATOM 1706 CB ASP A 112 -6.039 2.438 4.651 1.00 35.41 C ATOM 1707 CG ASP A 112 -7.434 2.617 5.189 1.00 14.33 C ATOM 1708 OD1 ASP A 112 -8.174 1.622 5.268 1.00 53.22 O ATOM 1709 OD2 ASP A 112 -7.801 3.762 5.517 1.00 65.32 O ATOM 0 H ASP A 112 -3.802 3.394 4.665 1.00 44.03 H new ATOM 0 HA ASP A 112 -5.375 2.320 6.717 1.00 72.25 H new ATOM 0 HB2 ASP A 112 -5.720 3.364 4.173 1.00 35.41 H new ATOM 0 HB3 ASP A 112 -6.051 1.669 3.879 1.00 35.41 H new ATOM 1714 N LEU A 113 -4.252 0.124 4.510 1.00 71.43 N ATOM 1715 CA LEU A 113 -4.028 -1.286 4.214 1.00 75.04 C ATOM 1716 C LEU A 113 -2.777 -1.824 4.917 1.00 44.41 C ATOM 1717 O LEU A 113 -2.597 -3.031 5.016 1.00 73.52 O ATOM 1718 CB LEU A 113 -3.925 -1.506 2.695 1.00 1.03 C ATOM 1719 CG LEU A 113 -5.238 -1.737 1.918 1.00 15.31 C ATOM 1720 CD1 LEU A 113 -5.998 -2.924 2.481 1.00 62.22 C ATOM 1721 CD2 LEU A 113 -6.128 -0.507 1.904 1.00 4.45 C ATOM 0 H LEU A 113 -3.942 0.753 3.769 1.00 71.43 H new ATOM 0 HA LEU A 113 -4.885 -1.841 4.596 1.00 75.04 H new ATOM 0 HB2 LEU A 113 -3.426 -0.639 2.263 1.00 1.03 H new ATOM 0 HB3 LEU A 113 -3.277 -2.365 2.523 1.00 1.03 H new ATOM 0 HG LEU A 113 -4.957 -1.949 0.886 1.00 15.31 H new ATOM 0 HD11 LEU A 113 -6.920 -3.067 1.917 1.00 62.22 H new ATOM 0 HD12 LEU A 113 -5.383 -3.820 2.403 1.00 62.22 H new ATOM 0 HD13 LEU A 113 -6.238 -2.739 3.528 1.00 62.22 H new ATOM 0 HD21 LEU A 113 -7.038 -0.723 1.345 1.00 4.45 H new ATOM 0 HD22 LEU A 113 -6.387 -0.234 2.927 1.00 4.45 H new ATOM 0 HD23 LEU A 113 -5.599 0.320 1.430 1.00 4.45 H new ATOM 1733 N ALA A 114 -1.908 -0.920 5.373 1.00 54.53 N ATOM 1734 CA ALA A 114 -0.780 -1.284 6.226 1.00 31.31 C ATOM 1735 C ALA A 114 -1.253 -1.688 7.626 1.00 21.10 C ATOM 1736 O ALA A 114 -0.699 -2.607 8.228 1.00 12.50 O ATOM 1737 CB ALA A 114 0.211 -0.137 6.304 1.00 73.24 C ATOM 0 H ALA A 114 -1.967 0.076 5.163 1.00 54.53 H new ATOM 0 HA ALA A 114 -0.282 -2.146 5.783 1.00 31.31 H new ATOM 0 HB1 ALA A 114 1.047 -0.421 6.943 1.00 73.24 H new ATOM 0 HB2 ALA A 114 0.580 0.094 5.305 1.00 73.24 H new ATOM 0 HB3 ALA A 114 -0.281 0.742 6.721 1.00 73.24 H new ATOM 1743 N GLN A 115 -2.287 -0.990 8.126 1.00 5.33 N ATOM 1744 CA GLN A 115 -2.937 -1.331 9.400 1.00 44.50 C ATOM 1745 C GLN A 115 -3.655 -2.669 9.292 1.00 70.33 C ATOM 1746 O GLN A 115 -3.627 -3.486 10.211 1.00 72.41 O ATOM 1747 CB GLN A 115 -3.951 -0.255 9.795 1.00 43.40 C ATOM 1748 CG GLN A 115 -3.330 1.023 10.317 1.00 61.11 C ATOM 1749 CD GLN A 115 -4.341 2.141 10.461 1.00 51.05 C ATOM 1750 OE1 GLN A 115 -4.994 2.271 11.491 1.00 75.44 O ATOM 1751 NE2 GLN A 115 -4.459 2.970 9.435 1.00 74.32 N ATOM 0 H GLN A 115 -2.693 -0.178 7.660 1.00 5.33 H new ATOM 0 HA GLN A 115 -2.160 -1.394 10.162 1.00 44.50 H new ATOM 0 HB2 GLN A 115 -4.568 -0.018 8.928 1.00 43.40 H new ATOM 0 HB3 GLN A 115 -4.615 -0.661 10.558 1.00 43.40 H new ATOM 0 HG2 GLN A 115 -2.867 0.829 11.284 1.00 61.11 H new ATOM 0 HG3 GLN A 115 -2.536 1.340 9.641 1.00 61.11 H new ATOM 0 HE21 GLN A 115 -3.897 2.826 8.596 1.00 74.32 H new ATOM 0 HE22 GLN A 115 -5.112 3.752 9.484 1.00 74.32 H new ATOM 1760 N LYS A 116 -4.264 -2.888 8.130 1.00 75.54 N ATOM 1761 CA LYS A 116 -5.008 -4.103 7.835 1.00 4.43 C ATOM 1762 C LYS A 116 -4.075 -5.294 7.593 1.00 42.32 C ATOM 1763 O LYS A 116 -4.488 -6.439 7.707 1.00 70.31 O ATOM 1764 CB LYS A 116 -5.943 -3.879 6.646 1.00 2.21 C ATOM 1765 CG LYS A 116 -6.951 -2.765 6.891 1.00 2.21 C ATOM 1766 CD LYS A 116 -7.984 -2.642 5.783 1.00 0.54 C ATOM 1767 CE LYS A 116 -8.930 -3.832 5.770 1.00 13.05 C ATOM 1768 NZ LYS A 116 -10.075 -3.617 4.854 1.00 41.05 N ATOM 0 H LYS A 116 -4.253 -2.218 7.361 1.00 75.54 H new ATOM 0 HA LYS A 116 -5.614 -4.346 8.708 1.00 4.43 H new ATOM 0 HB2 LYS A 116 -5.350 -3.639 5.763 1.00 2.21 H new ATOM 0 HB3 LYS A 116 -6.476 -4.805 6.430 1.00 2.21 H new ATOM 0 HG2 LYS A 116 -7.461 -2.946 7.837 1.00 2.21 H new ATOM 0 HG3 LYS A 116 -6.420 -1.818 6.992 1.00 2.21 H new ATOM 0 HD2 LYS A 116 -8.555 -1.723 5.917 1.00 0.54 H new ATOM 0 HD3 LYS A 116 -7.479 -2.566 4.820 1.00 0.54 H new ATOM 0 HE2 LYS A 116 -8.385 -4.726 5.466 1.00 13.05 H new ATOM 0 HE3 LYS A 116 -9.301 -4.012 6.779 1.00 13.05 H new ATOM 0 HZ1 LYS A 116 -10.697 -4.451 4.874 1.00 41.05 H new ATOM 0 HZ2 LYS A 116 -10.610 -2.779 5.158 1.00 41.05 H new ATOM 0 HZ3 LYS A 116 -9.723 -3.471 3.886 1.00 41.05 H new ATOM 1782 N ALA A 117 -2.834 -5.021 7.196 1.00 3.21 N ATOM 1783 CA ALA A 117 -1.835 -6.069 6.992 1.00 73.32 C ATOM 1784 C ALA A 117 -1.443 -6.741 8.308 1.00 53.35 C ATOM 1785 O ALA A 117 -1.242 -7.946 8.351 1.00 51.20 O ATOM 1786 CB ALA A 117 -0.610 -5.498 6.303 1.00 65.34 C ATOM 0 H ALA A 117 -2.494 -4.078 7.008 1.00 3.21 H new ATOM 0 HA ALA A 117 -2.280 -6.833 6.354 1.00 73.32 H new ATOM 0 HB1 ALA A 117 0.127 -6.288 6.157 1.00 65.34 H new ATOM 0 HB2 ALA A 117 -0.896 -5.085 5.336 1.00 65.34 H new ATOM 0 HB3 ALA A 117 -0.179 -4.710 6.921 1.00 65.34 H new ATOM 1792 N LEU A 118 -1.389 -5.960 9.381 1.00 0.44 N ATOM 1793 CA LEU A 118 -0.945 -6.451 10.685 1.00 1.12 C ATOM 1794 C LEU A 118 -2.119 -6.529 11.673 1.00 21.21 C ATOM 1795 O LEU A 118 -1.913 -6.553 12.887 1.00 73.21 O ATOM 1796 CB LEU A 118 0.124 -5.499 11.208 1.00 53.42 C ATOM 1797 CG LEU A 118 1.260 -5.230 10.229 1.00 24.42 C ATOM 1798 CD1 LEU A 118 1.686 -3.793 10.327 1.00 62.53 C ATOM 1799 CD2 LEU A 118 2.429 -6.149 10.495 1.00 21.21 C ATOM 0 H LEU A 118 -1.650 -4.974 9.375 1.00 0.44 H new ATOM 0 HA LEU A 118 -0.540 -7.457 10.580 1.00 1.12 H new ATOM 0 HB2 LEU A 118 -0.347 -4.551 11.469 1.00 53.42 H new ATOM 0 HB3 LEU A 118 0.542 -5.911 12.127 1.00 53.42 H new ATOM 0 HG LEU A 118 0.903 -5.426 9.218 1.00 24.42 H new ATOM 0 HD11 LEU A 118 2.499 -3.606 9.625 1.00 62.53 H new ATOM 0 HD12 LEU A 118 0.842 -3.146 10.086 1.00 62.53 H new ATOM 0 HD13 LEU A 118 2.027 -3.583 11.341 1.00 62.53 H new ATOM 0 HD21 LEU A 118 3.227 -5.938 9.783 1.00 21.21 H new ATOM 0 HD22 LEU A 118 2.795 -5.988 11.509 1.00 21.21 H new ATOM 0 HD23 LEU A 118 2.110 -7.185 10.385 1.00 21.21 H new ATOM 1811 N LYS A 119 -3.346 -6.592 11.130 1.00 41.24 N ATOM 1812 CA LYS A 119 -4.588 -6.553 11.934 1.00 31.01 C ATOM 1813 C LYS A 119 -4.729 -7.747 12.892 1.00 22.53 C ATOM 1814 O LYS A 119 -5.128 -7.573 14.041 1.00 32.52 O ATOM 1815 CB LYS A 119 -5.827 -6.449 11.016 1.00 65.14 C ATOM 1816 CG LYS A 119 -6.048 -7.645 10.085 1.00 22.44 C ATOM 1817 CD LYS A 119 -7.273 -7.473 9.199 1.00 54.25 C ATOM 1818 CE LYS A 119 -8.585 -7.618 9.971 1.00 21.42 C ATOM 1819 NZ LYS A 119 -8.859 -9.027 10.361 1.00 1.43 N ATOM 0 H LYS A 119 -3.509 -6.671 10.126 1.00 41.24 H new ATOM 0 HA LYS A 119 -4.522 -5.661 12.557 1.00 31.01 H new ATOM 0 HB2 LYS A 119 -6.712 -6.325 11.639 1.00 65.14 H new ATOM 0 HB3 LYS A 119 -5.736 -5.548 10.409 1.00 65.14 H new ATOM 0 HG2 LYS A 119 -5.167 -7.782 9.459 1.00 22.44 H new ATOM 0 HG3 LYS A 119 -6.159 -8.550 10.682 1.00 22.44 H new ATOM 0 HD2 LYS A 119 -7.240 -6.491 8.728 1.00 54.25 H new ATOM 0 HD3 LYS A 119 -7.244 -8.212 8.398 1.00 54.25 H new ATOM 0 HE2 LYS A 119 -8.548 -6.997 10.866 1.00 21.42 H new ATOM 0 HE3 LYS A 119 -9.407 -7.247 9.359 1.00 21.42 H new ATOM 0 HZ1 LYS A 119 -9.190 -9.056 11.347 1.00 1.43 H new ATOM 0 HZ2 LYS A 119 -9.591 -9.424 9.738 1.00 1.43 H new ATOM 0 HZ3 LYS A 119 -7.988 -9.588 10.272 1.00 1.43 H new ATOM 1833 N ASP A 120 -4.398 -8.946 12.417 1.00 45.50 N ATOM 1834 CA ASP A 120 -4.483 -10.154 13.239 1.00 34.32 C ATOM 1835 C ASP A 120 -3.109 -10.551 13.753 1.00 53.21 C ATOM 1836 O ASP A 120 -2.995 -11.345 14.686 1.00 12.05 O ATOM 1837 CB ASP A 120 -5.069 -11.328 12.438 1.00 2.10 C ATOM 1838 CG ASP A 120 -6.424 -11.029 11.828 1.00 52.31 C ATOM 1839 OD1 ASP A 120 -7.410 -10.873 12.573 1.00 73.12 O ATOM 1840 OD2 ASP A 120 -6.506 -10.938 10.592 1.00 64.50 O ATOM 0 H ASP A 120 -4.068 -9.108 11.466 1.00 45.50 H new ATOM 0 HA ASP A 120 -5.139 -9.929 14.080 1.00 34.32 H new ATOM 0 HB2 ASP A 120 -4.374 -11.598 11.643 1.00 2.10 H new ATOM 0 HB3 ASP A 120 -5.158 -12.195 13.092 1.00 2.10 H new ATOM 1845 N ALA A 121 -2.080 -9.956 13.124 1.00 42.31 N ATOM 1846 CA ALA A 121 -0.666 -10.326 13.275 1.00 43.42 C ATOM 1847 C ALA A 121 -0.374 -11.807 12.940 1.00 2.12 C ATOM 1848 O ALA A 121 0.671 -12.341 13.310 1.00 0.35 O ATOM 1849 CB ALA A 121 -0.128 -9.932 14.645 1.00 44.12 C ATOM 0 H ALA A 121 -2.217 -9.180 12.476 1.00 42.31 H new ATOM 0 HA ALA A 121 -0.123 -9.748 12.527 1.00 43.42 H new ATOM 0 HB1 ALA A 121 0.920 -10.221 14.721 1.00 44.12 H new ATOM 0 HB2 ALA A 121 -0.217 -8.853 14.775 1.00 44.12 H new ATOM 0 HB3 ALA A 121 -0.701 -10.439 15.421 1.00 44.12 H new ATOM 1855 N GLU A 122 -1.266 -12.436 12.167 1.00 63.41 N ATOM 1856 CA GLU A 122 -1.045 -13.779 11.642 1.00 1.23 C ATOM 1857 C GLU A 122 -1.570 -13.863 10.217 1.00 32.42 C ATOM 1858 O GLU A 122 -2.682 -14.335 9.973 1.00 10.01 O ATOM 1859 CB GLU A 122 -1.693 -14.875 12.505 1.00 21.45 C ATOM 1860 CG GLU A 122 -0.993 -15.135 13.827 1.00 21.31 C ATOM 1861 CD GLU A 122 -1.100 -16.577 14.267 1.00 55.14 C ATOM 1862 OE1 GLU A 122 -2.181 -16.997 14.717 1.00 55.13 O ATOM 1863 OE2 GLU A 122 -0.098 -17.309 14.134 1.00 44.42 O ATOM 0 H GLU A 122 -2.158 -12.026 11.891 1.00 63.41 H new ATOM 0 HA GLU A 122 0.030 -13.958 11.661 1.00 1.23 H new ATOM 0 HB2 GLU A 122 -2.728 -14.597 12.705 1.00 21.45 H new ATOM 0 HB3 GLU A 122 -1.717 -15.803 11.933 1.00 21.45 H new ATOM 0 HG2 GLU A 122 0.059 -14.864 13.737 1.00 21.31 H new ATOM 0 HG3 GLU A 122 -1.423 -14.492 14.595 1.00 21.31 H new ATOM 1870 N LYS A 123 -0.795 -13.323 9.289 1.00 0.02 N ATOM 1871 CA LYS A 123 -1.126 -13.383 7.876 1.00 50.21 C ATOM 1872 C LYS A 123 -0.313 -14.482 7.195 1.00 72.23 C ATOM 1873 O LYS A 123 0.735 -14.888 7.708 1.00 54.21 O ATOM 1874 CB LYS A 123 -0.870 -12.020 7.225 1.00 73.12 C ATOM 1875 CG LYS A 123 -2.118 -11.159 6.988 1.00 41.52 C ATOM 1876 CD LYS A 123 -2.850 -10.746 8.270 1.00 63.02 C ATOM 1877 CE LYS A 123 -4.075 -11.614 8.548 1.00 23.40 C ATOM 1878 NZ LYS A 123 -5.140 -11.448 7.520 1.00 74.31 N ATOM 0 H LYS A 123 0.076 -12.834 9.494 1.00 0.02 H new ATOM 0 HA LYS A 123 -2.183 -13.624 7.760 1.00 50.21 H new ATOM 0 HB2 LYS A 123 -0.177 -11.460 7.854 1.00 73.12 H new ATOM 0 HB3 LYS A 123 -0.373 -12.181 6.268 1.00 73.12 H new ATOM 0 HG2 LYS A 123 -1.828 -10.261 6.443 1.00 41.52 H new ATOM 0 HG3 LYS A 123 -2.809 -11.709 6.350 1.00 41.52 H new ATOM 0 HD2 LYS A 123 -2.163 -10.811 9.114 1.00 63.02 H new ATOM 0 HD3 LYS A 123 -3.158 -9.704 8.189 1.00 63.02 H new ATOM 0 HE2 LYS A 123 -3.773 -12.661 8.587 1.00 23.40 H new ATOM 0 HE3 LYS A 123 -4.479 -11.362 9.528 1.00 23.40 H new ATOM 0 HZ1 LYS A 123 -6.053 -11.755 7.913 1.00 74.31 H new ATOM 0 HZ2 LYS A 123 -5.202 -10.448 7.242 1.00 74.31 H new ATOM 0 HZ3 LYS A 123 -4.910 -12.025 6.686 1.00 74.31 H new