USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 2:sc= -1.51 USER MOD Set 1.2: A 64 MET CE :methyl -119:sc= -6.05! (180deg=-10.8!) USER MOD Set 2.1: A 32 MET CE :methyl -112:sc= -6.67! (180deg=-9.11!) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00329 X(o=-0.0033,f=0.44) USER MOD Single : A 14 MET CE :methyl -149:sc= -0.923 (180deg=-2.78!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0097 K(o=-0.0097,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= -0.0724 (180deg=-0.157) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.26! C(o=-5.3!,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= 0.545 USER MOD Single : A 50 CYS SG : rot 12:sc= -1.33 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00799 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.0169 (180deg=0.0157) USER MOD Single : A 60 MET CE :methyl 128:sc= -7.01! (180deg=-11.9!) USER MOD Single : A 61 ASN : amide:sc= -3.17! C(o=-3.2!,f=-14!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= 0.15 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 71 ASN : amide:sc= -1.25 K(o=-1.3,f=-3.3!) USER MOD Single : A 76 SER OG : rot 180:sc= -1.25! USER MOD Single : A 81 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.7) USER MOD Single : A 86 SER OG : rot 150:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.322 K(o=-0.32,f=-3!) USER MOD Single : A 97 HIS :FLIP no HE2:sc= 0.0381 F(o=-0.57,f=0.038) USER MOD Single : A 100 SER OG : rot 142:sc= 0.156 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.631 13.850 -6.561 1.00 0.00 N ATOM 79 CA LYS A 9 0.807 12.660 -6.689 1.00 0.00 C ATOM 80 C LYS A 9 1.692 11.471 -7.068 1.00 0.00 C ATOM 81 O LYS A 9 1.774 11.101 -8.238 1.00 0.00 O ATOM 82 CB LYS A 9 -0.343 12.907 -7.668 1.00 0.00 C ATOM 83 CG LYS A 9 -1.099 14.189 -7.314 1.00 0.00 C ATOM 84 CD LYS A 9 -2.593 14.044 -7.610 1.00 0.00 C ATOM 85 CE LYS A 9 -2.944 14.651 -8.970 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.057 15.618 -8.834 1.00 0.00 N ATOM 0 HA LYS A 9 0.337 12.418 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.048 12.980 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.029 12.060 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.955 14.421 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.691 15.025 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.869 12.990 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.172 14.536 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.070 15.150 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.224 13.861 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.283 16.021 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.895 15.132 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.776 16.381 -8.186 1.00 0.00 H new ATOM 100 N PRO A 10 2.349 10.890 -6.029 1.00 0.00 N ATOM 101 CA PRO A 10 3.225 9.750 -6.241 1.00 0.00 C ATOM 102 C PRO A 10 2.416 8.475 -6.487 1.00 0.00 C ATOM 103 O PRO A 10 2.944 7.490 -7.003 1.00 0.00 O ATOM 104 CB PRO A 10 4.084 9.675 -4.989 1.00 0.00 C ATOM 105 CG PRO A 10 3.348 10.481 -3.930 1.00 0.00 C ATOM 106 CD PRO A 10 2.276 11.300 -4.630 1.00 0.00 C ATOM 0 HA PRO A 10 3.847 9.858 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.219 8.642 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.077 10.085 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.900 9.819 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.040 11.133 -3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.290 11.102 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.460 12.369 -4.521 1.00 0.00 H new ATOM 114 N LEU A 11 1.148 8.534 -6.108 1.00 0.00 N ATOM 115 CA LEU A 11 0.261 7.397 -6.282 1.00 0.00 C ATOM 116 C LEU A 11 -0.722 7.691 -7.416 1.00 0.00 C ATOM 117 O LEU A 11 -1.590 6.873 -7.718 1.00 0.00 O ATOM 118 CB LEU A 11 -0.417 7.039 -4.958 1.00 0.00 C ATOM 119 CG LEU A 11 0.518 6.709 -3.793 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.742 5.929 -4.277 1.00 0.00 C ATOM 121 CD2 LEU A 11 0.910 7.975 -3.028 1.00 0.00 C ATOM 0 H LEU A 11 0.714 9.352 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 11 0.828 6.513 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.054 7.873 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.070 6.183 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.019 6.066 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.390 5.707 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.419 4.997 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.289 6.527 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.575 7.712 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.421 8.663 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.014 8.453 -2.632 1.00 0.00 H new ATOM 133 N SER A 12 -0.554 8.861 -8.014 1.00 0.00 N ATOM 134 CA SER A 12 -1.415 9.273 -9.109 1.00 0.00 C ATOM 135 C SER A 12 -1.544 8.139 -10.129 1.00 0.00 C ATOM 136 O SER A 12 -0.660 7.944 -10.961 1.00 0.00 O ATOM 137 CB SER A 12 -0.880 10.537 -9.786 1.00 0.00 C ATOM 138 OG SER A 12 -1.925 11.445 -10.122 1.00 0.00 O ATOM 0 H SER A 12 0.166 9.537 -7.761 1.00 0.00 H new ATOM 0 HA SER A 12 -2.400 9.501 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.170 11.031 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.335 10.262 -10.689 1.00 0.00 H new ATOM 0 HG SER A 12 -1.543 12.239 -10.550 1.00 0.00 H new ATOM 144 N ASN A 13 -2.654 7.422 -10.031 1.00 0.00 N ATOM 145 CA ASN A 13 -2.910 6.313 -10.934 1.00 0.00 C ATOM 146 C ASN A 13 -2.299 5.036 -10.353 1.00 0.00 C ATOM 147 O ASN A 13 -1.561 4.329 -11.039 1.00 0.00 O ATOM 148 CB ASN A 13 -2.276 6.560 -12.304 1.00 0.00 C ATOM 149 CG ASN A 13 -3.031 5.809 -13.402 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.088 4.590 -13.429 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.605 6.601 -14.303 1.00 0.00 N ATOM 0 H ASN A 13 -3.386 7.588 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.989 6.215 -11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.278 7.628 -12.522 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.234 6.239 -12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.132 6.196 -15.076 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.518 7.614 -14.221 1.00 0.00 H new ATOM 158 N MET A 14 -2.628 4.779 -9.096 1.00 0.00 N ATOM 159 CA MET A 14 -2.120 3.600 -8.415 1.00 0.00 C ATOM 160 C MET A 14 -3.055 3.176 -7.281 1.00 0.00 C ATOM 161 O MET A 14 -3.467 4.004 -6.470 1.00 0.00 O ATOM 162 CB MET A 14 -0.730 3.896 -7.848 1.00 0.00 C ATOM 163 CG MET A 14 0.359 3.591 -8.879 1.00 0.00 C ATOM 164 SD MET A 14 1.416 2.283 -8.282 1.00 0.00 S ATOM 165 CE MET A 14 1.775 2.897 -6.644 1.00 0.00 C ATOM 0 H MET A 14 -3.240 5.367 -8.531 1.00 0.00 H new ATOM 0 HA MET A 14 -2.061 2.785 -9.136 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.670 4.943 -7.550 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.564 3.299 -6.951 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.096 3.298 -9.825 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.949 4.487 -9.073 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.770 2.569 -6.342 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.738 3.986 -6.647 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.037 2.511 -5.941 1.00 0.00 H new ATOM 175 N LYS A 15 -3.363 1.888 -7.260 1.00 0.00 N ATOM 176 CA LYS A 15 -4.241 1.344 -6.239 1.00 0.00 C ATOM 177 C LYS A 15 -3.400 0.829 -5.069 1.00 0.00 C ATOM 178 O LYS A 15 -2.464 0.056 -5.267 1.00 0.00 O ATOM 179 CB LYS A 15 -5.172 0.289 -6.838 1.00 0.00 C ATOM 180 CG LYS A 15 -6.267 0.940 -7.686 1.00 0.00 C ATOM 181 CD LYS A 15 -7.000 -0.103 -8.532 1.00 0.00 C ATOM 182 CE LYS A 15 -8.510 -0.039 -8.294 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.152 0.857 -9.282 1.00 0.00 N ATOM 0 H LYS A 15 -3.020 1.205 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.893 2.123 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.596 -0.403 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.626 -0.296 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.978 1.452 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.827 1.696 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.787 0.065 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.632 -1.099 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.939 -1.038 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.710 0.320 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.177 0.890 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.755 1.814 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.976 0.498 -10.242 1.00 0.00 H new ATOM 197 N ILE A 16 -3.763 1.278 -3.877 1.00 0.00 N ATOM 198 CA ILE A 16 -3.053 0.872 -2.676 1.00 0.00 C ATOM 199 C ILE A 16 -4.009 0.111 -1.756 1.00 0.00 C ATOM 200 O ILE A 16 -5.161 0.507 -1.587 1.00 0.00 O ATOM 201 CB ILE A 16 -2.391 2.080 -2.011 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.473 2.812 -2.992 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.654 1.668 -0.735 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.285 3.516 -4.081 1.00 0.00 C ATOM 0 H ILE A 16 -4.540 1.919 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.240 0.190 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.174 2.780 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.869 3.543 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.783 2.102 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.192 2.545 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.361 1.227 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.883 0.938 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.609 4.029 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.869 2.780 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.956 4.242 -3.622 1.00 0.00 H new ATOM 216 N LEU A 17 -3.496 -0.970 -1.186 1.00 0.00 N ATOM 217 CA LEU A 17 -4.291 -1.790 -0.287 1.00 0.00 C ATOM 218 C LEU A 17 -3.714 -1.696 1.127 1.00 0.00 C ATOM 219 O LEU A 17 -2.512 -1.494 1.298 1.00 0.00 O ATOM 220 CB LEU A 17 -4.391 -3.222 -0.817 1.00 0.00 C ATOM 221 CG LEU A 17 -5.259 -4.180 0.000 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.531 -4.554 -0.764 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.463 -5.415 0.426 1.00 0.00 C ATOM 0 H LEU A 17 -2.540 -1.297 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.315 -1.420 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.783 -3.186 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.385 -3.637 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.569 -3.667 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.130 -5.236 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.107 -3.653 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.262 -5.040 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.104 -6.079 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.103 -5.939 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.613 -5.108 1.036 1.00 0.00 H new ATOM 235 N THR A 18 -4.596 -1.847 2.103 1.00 0.00 N ATOM 236 CA THR A 18 -4.190 -1.782 3.496 1.00 0.00 C ATOM 237 C THR A 18 -4.696 -3.009 4.258 1.00 0.00 C ATOM 238 O THR A 18 -5.721 -3.587 3.899 1.00 0.00 O ATOM 239 CB THR A 18 -4.693 -0.458 4.074 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.108 -0.527 3.921 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.285 0.746 3.222 1.00 0.00 C ATOM 0 H THR A 18 -5.591 -2.014 1.957 1.00 0.00 H new ATOM 0 HA THR A 18 -3.104 -1.804 3.592 1.00 0.00 H new ATOM 0 HB THR A 18 -4.307 -0.334 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.515 0.292 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.667 1.660 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.198 0.798 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.699 0.639 2.219 1.00 0.00 H new ATOM 249 N LEU A 19 -3.954 -3.370 5.294 1.00 0.00 N ATOM 250 CA LEU A 19 -4.314 -4.517 6.109 1.00 0.00 C ATOM 251 C LEU A 19 -4.033 -4.202 7.580 1.00 0.00 C ATOM 252 O LEU A 19 -3.493 -3.144 7.899 1.00 0.00 O ATOM 253 CB LEU A 19 -3.607 -5.776 5.604 1.00 0.00 C ATOM 254 CG LEU A 19 -4.505 -6.843 4.973 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.674 -7.886 4.225 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.417 -7.482 6.022 1.00 0.00 C ATOM 0 H LEU A 19 -3.104 -2.888 5.588 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.381 -4.723 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.859 -5.478 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.072 -6.228 6.439 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.149 -6.358 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.336 -8.632 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.103 -7.398 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.989 -8.372 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.045 -8.236 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.809 -7.950 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.048 -6.715 6.471 1.00 0.00 H new ATOM 268 N GLY A 20 -4.413 -5.139 8.436 1.00 0.00 N ATOM 269 CA GLY A 20 -4.208 -4.974 9.865 1.00 0.00 C ATOM 270 C GLY A 20 -4.691 -3.599 10.333 1.00 0.00 C ATOM 271 O GLY A 20 -5.614 -3.030 9.751 1.00 0.00 O ATOM 0 H GLY A 20 -4.862 -6.015 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.743 -5.755 10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.150 -5.091 10.100 1.00 0.00 H new ATOM 275 N LYS A 21 -4.046 -3.106 11.380 1.00 0.00 N ATOM 276 CA LYS A 21 -4.398 -1.809 11.932 1.00 0.00 C ATOM 277 C LYS A 21 -3.198 -0.867 11.818 1.00 0.00 C ATOM 278 O LYS A 21 -2.083 -1.229 12.191 1.00 0.00 O ATOM 279 CB LYS A 21 -4.927 -1.960 13.360 1.00 0.00 C ATOM 280 CG LYS A 21 -5.201 -0.594 13.991 1.00 0.00 C ATOM 281 CD LYS A 21 -6.627 -0.128 13.691 1.00 0.00 C ATOM 282 CE LYS A 21 -7.639 -0.848 14.584 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.005 -0.001 15.741 1.00 0.00 N ATOM 0 H LYS A 21 -3.282 -3.581 11.860 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.211 -1.361 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.843 -2.551 13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.202 -2.505 13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.052 -0.651 15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.488 0.137 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.702 0.948 13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.862 -0.317 12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.532 -1.092 14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.218 -1.790 14.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.693 -0.505 16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.153 0.211 16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.427 0.887 15.402 1.00 0.00 H new ATOM 297 N LEU A 22 -3.466 0.322 11.300 1.00 0.00 N ATOM 298 CA LEU A 22 -2.422 1.318 11.132 1.00 0.00 C ATOM 299 C LEU A 22 -2.636 2.451 12.138 1.00 0.00 C ATOM 300 O LEU A 22 -3.698 2.550 12.750 1.00 0.00 O ATOM 301 CB LEU A 22 -2.362 1.791 9.678 1.00 0.00 C ATOM 302 CG LEU A 22 -2.178 0.697 8.624 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.865 1.080 7.311 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.697 0.372 8.423 1.00 0.00 C ATOM 0 H LEU A 22 -4.392 0.618 10.991 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.445 0.884 11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.281 2.332 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.542 2.502 9.582 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.660 -0.211 8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.719 0.286 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.932 1.221 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.434 2.007 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.595 -0.408 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.170 1.267 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.270 0.025 9.364 1.00 0.00 H new ATOM 316 N SER A 23 -1.610 3.277 12.279 1.00 0.00 N ATOM 317 CA SER A 23 -1.672 4.398 13.200 1.00 0.00 C ATOM 318 C SER A 23 -2.934 5.222 12.937 1.00 0.00 C ATOM 319 O SER A 23 -3.651 5.581 13.870 1.00 0.00 O ATOM 320 CB SER A 23 -0.428 5.280 13.080 1.00 0.00 C ATOM 321 OG SER A 23 -0.334 6.220 14.147 1.00 0.00 O ATOM 0 H SER A 23 -0.730 3.192 11.770 1.00 0.00 H new ATOM 0 HA SER A 23 -1.708 4.004 14.216 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.462 4.651 13.071 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.452 5.812 12.129 1.00 0.00 H new ATOM 0 HG SER A 23 0.474 6.763 14.035 1.00 0.00 H new ATOM 327 N ARG A 24 -3.167 5.498 11.662 1.00 0.00 N ATOM 328 CA ARG A 24 -4.330 6.273 11.265 1.00 0.00 C ATOM 329 C ARG A 24 -5.509 5.345 10.964 1.00 0.00 C ATOM 330 O ARG A 24 -5.378 4.124 11.041 1.00 0.00 O ATOM 331 CB ARG A 24 -4.030 7.121 10.028 1.00 0.00 C ATOM 332 CG ARG A 24 -3.093 8.281 10.373 1.00 0.00 C ATOM 333 CD ARG A 24 -3.540 9.571 9.682 1.00 0.00 C ATOM 334 NE ARG A 24 -2.622 10.677 10.032 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.571 11.257 11.239 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.384 10.840 12.218 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.705 12.255 11.467 1.00 0.00 N ATOM 0 H ARG A 24 -2.570 5.199 10.891 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.586 6.935 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.576 6.498 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.961 7.511 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.075 8.430 11.453 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.076 8.035 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.555 9.428 8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.557 9.822 9.985 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.988 11.019 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.043 10.080 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.345 11.282 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.085 12.573 10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.666 12.697 12.386 1.00 0.00 H new ATOM 351 N ASN A 25 -6.634 5.959 10.629 1.00 0.00 N ATOM 352 CA ASN A 25 -7.835 5.203 10.317 1.00 0.00 C ATOM 353 C ASN A 25 -7.897 4.953 8.809 1.00 0.00 C ATOM 354 O ASN A 25 -7.345 5.723 8.025 1.00 0.00 O ATOM 355 CB ASN A 25 -9.092 5.976 10.721 1.00 0.00 C ATOM 356 CG ASN A 25 -9.246 6.018 12.242 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.478 5.430 12.986 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.278 6.743 12.662 1.00 0.00 N ATOM 0 H ASN A 25 -6.739 6.972 10.567 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.796 4.264 10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.040 6.992 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.970 5.507 10.276 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.466 6.833 13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.882 7.210 11.986 1.00 0.00 H new ATOM 365 N LYS A 26 -8.574 3.873 8.448 1.00 0.00 N ATOM 366 CA LYS A 26 -8.716 3.511 7.048 1.00 0.00 C ATOM 367 C LYS A 26 -9.054 4.762 6.235 1.00 0.00 C ATOM 368 O LYS A 26 -8.312 5.137 5.328 1.00 0.00 O ATOM 369 CB LYS A 26 -9.733 2.380 6.887 1.00 0.00 C ATOM 370 CG LYS A 26 -9.305 1.411 5.783 1.00 0.00 C ATOM 371 CD LYS A 26 -10.349 0.310 5.584 1.00 0.00 C ATOM 372 CE LYS A 26 -9.966 -0.605 4.419 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.893 -0.411 3.282 1.00 0.00 N ATOM 0 H LYS A 26 -9.031 3.236 9.101 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.776 3.120 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.835 1.841 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.712 2.797 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.164 1.957 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.344 0.964 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.442 -0.278 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.324 0.759 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.944 -0.393 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.991 -1.646 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.570 -0.976 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.849 -0.715 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.913 0.595 3.018 1.00 0.00 H new ATOM 387 N ASP A 27 -10.175 5.374 6.588 1.00 0.00 N ATOM 388 CA ASP A 27 -10.620 6.575 5.902 1.00 0.00 C ATOM 389 C ASP A 27 -9.444 7.545 5.765 1.00 0.00 C ATOM 390 O ASP A 27 -9.008 7.844 4.655 1.00 0.00 O ATOM 391 CB ASP A 27 -11.726 7.281 6.690 1.00 0.00 C ATOM 392 CG ASP A 27 -12.975 6.438 6.948 1.00 0.00 C ATOM 393 OD1 ASP A 27 -13.408 5.758 5.993 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.470 6.492 8.095 1.00 0.00 O ATOM 0 H ASP A 27 -10.788 5.060 7.340 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.003 6.283 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.319 7.603 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.019 8.181 6.149 1.00 0.00 H new ATOM 399 N GLU A 28 -8.965 8.009 6.910 1.00 0.00 N ATOM 400 CA GLU A 28 -7.848 8.938 6.931 1.00 0.00 C ATOM 401 C GLU A 28 -6.819 8.556 5.866 1.00 0.00 C ATOM 402 O GLU A 28 -6.290 9.421 5.169 1.00 0.00 O ATOM 403 CB GLU A 28 -7.206 8.992 8.319 1.00 0.00 C ATOM 404 CG GLU A 28 -8.139 9.664 9.329 1.00 0.00 C ATOM 405 CD GLU A 28 -7.375 10.665 10.199 1.00 0.00 C ATOM 406 OE1 GLU A 28 -7.252 11.826 9.753 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.931 10.246 11.289 1.00 0.00 O ATOM 0 H GLU A 28 -9.330 7.759 7.829 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.226 9.935 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.969 7.982 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.265 9.540 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.944 10.175 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.603 8.907 9.961 1.00 0.00 H new ATOM 414 N VAL A 29 -6.565 7.259 5.772 1.00 0.00 N ATOM 415 CA VAL A 29 -5.608 6.752 4.803 1.00 0.00 C ATOM 416 C VAL A 29 -6.224 6.816 3.404 1.00 0.00 C ATOM 417 O VAL A 29 -5.646 7.410 2.494 1.00 0.00 O ATOM 418 CB VAL A 29 -5.163 5.342 5.196 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.304 4.712 4.098 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.420 5.354 6.533 1.00 0.00 C ATOM 0 H VAL A 29 -7.005 6.544 6.351 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.711 7.371 4.792 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.057 4.730 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.001 3.710 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.880 4.652 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.418 5.325 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.115 4.339 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.538 5.989 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.077 5.742 7.311 1.00 0.00 H new ATOM 430 N LYS A 30 -7.388 6.197 3.275 1.00 0.00 N ATOM 431 CA LYS A 30 -8.088 6.176 2.002 1.00 0.00 C ATOM 432 C LYS A 30 -8.070 7.580 1.392 1.00 0.00 C ATOM 433 O LYS A 30 -8.047 7.730 0.172 1.00 0.00 O ATOM 434 CB LYS A 30 -9.494 5.597 2.173 1.00 0.00 C ATOM 435 CG LYS A 30 -10.332 5.811 0.910 1.00 0.00 C ATOM 436 CD LYS A 30 -11.817 5.578 1.192 1.00 0.00 C ATOM 437 CE LYS A 30 -12.387 4.496 0.273 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.253 3.570 1.036 1.00 0.00 N ATOM 0 H LYS A 30 -7.864 5.706 4.032 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.580 5.516 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.428 4.532 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.985 6.069 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.183 6.825 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.996 5.132 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.951 5.284 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.368 6.508 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.959 4.958 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.573 3.941 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.631 2.842 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.697 3.115 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.040 4.101 1.460 1.00 0.00 H new ATOM 452 N ALA A 31 -8.083 8.572 2.271 1.00 0.00 N ATOM 453 CA ALA A 31 -8.069 9.957 1.834 1.00 0.00 C ATOM 454 C ALA A 31 -6.659 10.327 1.369 1.00 0.00 C ATOM 455 O ALA A 31 -6.488 10.921 0.305 1.00 0.00 O ATOM 456 CB ALA A 31 -8.562 10.856 2.971 1.00 0.00 C ATOM 0 H ALA A 31 -8.103 8.444 3.283 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.743 10.099 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.552 11.896 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.578 10.572 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.908 10.741 3.835 1.00 0.00 H new ATOM 462 N MET A 32 -5.685 9.960 2.188 1.00 0.00 N ATOM 463 CA MET A 32 -4.295 10.246 1.874 1.00 0.00 C ATOM 464 C MET A 32 -3.882 9.580 0.560 1.00 0.00 C ATOM 465 O MET A 32 -3.269 10.214 -0.296 1.00 0.00 O ATOM 466 CB MET A 32 -3.401 9.739 3.007 1.00 0.00 C ATOM 467 CG MET A 32 -2.641 10.893 3.664 1.00 0.00 C ATOM 468 SD MET A 32 -1.509 11.624 2.492 1.00 0.00 S ATOM 469 CE MET A 32 0.046 11.109 3.201 1.00 0.00 C ATOM 0 H MET A 32 -5.830 9.467 3.069 1.00 0.00 H new ATOM 0 HA MET A 32 -4.181 11.324 1.764 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.009 9.227 3.753 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.693 9.008 2.617 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.344 11.646 4.021 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.093 10.530 4.534 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.577 11.980 3.584 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.140 10.410 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.651 10.622 2.436 1.00 0.00 H new ATOM 479 N ILE A 33 -4.235 8.308 0.442 1.00 0.00 N ATOM 480 CA ILE A 33 -3.909 7.548 -0.753 1.00 0.00 C ATOM 481 C ILE A 33 -4.554 8.216 -1.968 1.00 0.00 C ATOM 482 O ILE A 33 -3.983 8.216 -3.057 1.00 0.00 O ATOM 483 CB ILE A 33 -4.301 6.080 -0.578 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.560 5.451 0.604 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.082 5.296 -1.873 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.198 4.120 1.007 1.00 0.00 C ATOM 0 H ILE A 33 -4.744 7.785 1.155 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.832 7.548 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.366 6.036 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.515 5.292 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.573 6.136 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.368 4.255 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.691 5.728 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.030 5.345 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.652 3.695 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.236 4.286 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.161 3.429 0.165 1.00 0.00 H new ATOM 498 N GLU A 34 -5.737 8.769 -1.741 1.00 0.00 N ATOM 499 CA GLU A 34 -6.466 9.439 -2.805 1.00 0.00 C ATOM 500 C GLU A 34 -5.893 10.838 -3.042 1.00 0.00 C ATOM 501 O GLU A 34 -5.763 11.274 -4.185 1.00 0.00 O ATOM 502 CB GLU A 34 -7.961 9.506 -2.487 1.00 0.00 C ATOM 503 CG GLU A 34 -8.655 8.188 -2.834 1.00 0.00 C ATOM 504 CD GLU A 34 -10.007 8.440 -3.503 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.054 9.344 -4.364 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.964 7.722 -3.139 1.00 0.00 O ATOM 0 H GLU A 34 -6.208 8.767 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.348 8.859 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.102 9.728 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.419 10.321 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.020 7.602 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.798 7.599 -1.928 1.00 0.00 H new ATOM 513 N LYS A 35 -5.565 11.503 -1.944 1.00 0.00 N ATOM 514 CA LYS A 35 -5.009 12.843 -2.018 1.00 0.00 C ATOM 515 C LYS A 35 -3.633 12.783 -2.683 1.00 0.00 C ATOM 516 O LYS A 35 -3.206 13.744 -3.322 1.00 0.00 O ATOM 517 CB LYS A 35 -4.995 13.495 -0.633 1.00 0.00 C ATOM 518 CG LYS A 35 -3.630 13.326 0.038 1.00 0.00 C ATOM 519 CD LYS A 35 -2.734 14.537 -0.230 1.00 0.00 C ATOM 520 CE LYS A 35 -3.004 15.653 0.782 1.00 0.00 C ATOM 521 NZ LYS A 35 -2.664 16.972 0.202 1.00 0.00 N ATOM 0 H LYS A 35 -5.674 11.138 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.636 13.482 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.231 14.555 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.769 13.048 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.762 13.198 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.147 12.422 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.687 14.238 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.909 14.907 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.053 15.638 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.417 15.484 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.853 17.718 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.657 16.988 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.243 17.138 -0.646 1.00 0.00 H new ATOM 535 N LEU A 36 -2.976 11.645 -2.511 1.00 0.00 N ATOM 536 CA LEU A 36 -1.657 11.447 -3.087 1.00 0.00 C ATOM 537 C LEU A 36 -1.803 10.995 -4.541 1.00 0.00 C ATOM 538 O LEU A 36 -0.818 10.635 -5.185 1.00 0.00 O ATOM 539 CB LEU A 36 -0.834 10.489 -2.224 1.00 0.00 C ATOM 540 CG LEU A 36 -0.435 11.006 -0.841 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.030 9.853 0.079 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.662 12.067 -0.947 1.00 0.00 C ATOM 0 H LEU A 36 -3.333 10.850 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.102 12.385 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.403 9.568 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.074 10.230 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.304 11.486 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.249 10.248 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.868 9.166 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.818 9.323 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.927 12.417 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.541 11.635 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.301 12.906 -1.542 1.00 0.00 H new ATOM 554 N GLY A 37 -3.039 11.028 -5.017 1.00 0.00 N ATOM 555 CA GLY A 37 -3.327 10.625 -6.383 1.00 0.00 C ATOM 556 C GLY A 37 -3.646 9.131 -6.459 1.00 0.00 C ATOM 557 O GLY A 37 -4.210 8.663 -7.447 1.00 0.00 O ATOM 0 H GLY A 37 -3.853 11.328 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.170 11.200 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.472 10.851 -7.020 1.00 0.00 H new ATOM 561 N GLY A 38 -3.272 8.424 -5.403 1.00 0.00 N ATOM 562 CA GLY A 38 -3.511 6.993 -5.337 1.00 0.00 C ATOM 563 C GLY A 38 -5.003 6.693 -5.175 1.00 0.00 C ATOM 564 O GLY A 38 -5.843 7.562 -5.404 1.00 0.00 O ATOM 0 H GLY A 38 -2.805 8.816 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.137 6.516 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.958 6.566 -4.500 1.00 0.00 H new ATOM 568 N LYS A 39 -5.287 5.461 -4.779 1.00 0.00 N ATOM 569 CA LYS A 39 -6.662 5.036 -4.583 1.00 0.00 C ATOM 570 C LYS A 39 -6.681 3.754 -3.748 1.00 0.00 C ATOM 571 O LYS A 39 -6.065 2.757 -4.121 1.00 0.00 O ATOM 572 CB LYS A 39 -7.380 4.905 -5.928 1.00 0.00 C ATOM 573 CG LYS A 39 -8.120 6.196 -6.283 1.00 0.00 C ATOM 574 CD LYS A 39 -9.489 5.893 -6.894 1.00 0.00 C ATOM 575 CE LYS A 39 -9.575 6.409 -8.332 1.00 0.00 C ATOM 576 NZ LYS A 39 -10.126 5.366 -9.225 1.00 0.00 N ATOM 0 H LYS A 39 -4.588 4.743 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.217 5.789 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.657 4.670 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.087 4.076 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.244 6.806 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.525 6.779 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.668 4.818 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.271 6.355 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.205 7.297 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.585 6.706 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.178 5.733 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.509 4.529 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.079 5.102 -8.904 1.00 0.00 H new ATOM 590 N LEU A 40 -7.396 3.821 -2.635 1.00 0.00 N ATOM 591 CA LEU A 40 -7.503 2.678 -1.744 1.00 0.00 C ATOM 592 C LEU A 40 -8.437 1.638 -2.366 1.00 0.00 C ATOM 593 O LEU A 40 -9.490 1.985 -2.899 1.00 0.00 O ATOM 594 CB LEU A 40 -7.928 3.127 -0.345 1.00 0.00 C ATOM 595 CG LEU A 40 -7.748 2.099 0.774 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.808 2.628 1.859 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.100 1.668 1.346 1.00 0.00 C ATOM 0 H LEU A 40 -7.907 4.649 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.531 2.200 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.361 4.021 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.979 3.415 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.281 1.210 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.698 1.878 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.833 2.843 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.223 3.541 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.943 0.937 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.618 2.538 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.704 1.222 0.556 1.00 0.00 H new ATOM 609 N THR A 41 -8.018 0.385 -2.278 1.00 0.00 N ATOM 610 CA THR A 41 -8.804 -0.708 -2.826 1.00 0.00 C ATOM 611 C THR A 41 -9.020 -1.792 -1.768 1.00 0.00 C ATOM 612 O THR A 41 -8.394 -1.765 -0.709 1.00 0.00 O ATOM 613 CB THR A 41 -8.094 -1.217 -4.082 1.00 0.00 C ATOM 614 OG1 THR A 41 -8.840 -2.372 -4.458 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.694 -1.759 -3.785 1.00 0.00 C ATOM 0 H THR A 41 -7.144 0.101 -1.835 1.00 0.00 H new ATOM 0 HA THR A 41 -9.801 -0.374 -3.112 1.00 0.00 H new ATOM 0 HB THR A 41 -8.024 -0.410 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.449 -2.765 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.235 -2.107 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.082 -0.968 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.767 -2.589 -3.082 1.00 0.00 H new ATOM 623 N GLY A 42 -9.907 -2.721 -2.091 1.00 0.00 N ATOM 624 CA GLY A 42 -10.214 -3.812 -1.182 1.00 0.00 C ATOM 625 C GLY A 42 -9.489 -5.093 -1.600 1.00 0.00 C ATOM 626 O GLY A 42 -8.971 -5.821 -0.755 1.00 0.00 O ATOM 0 H GLY A 42 -10.423 -2.741 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.922 -3.539 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.290 -3.987 -1.168 1.00 0.00 H new ATOM 630 N THR A 43 -9.477 -5.330 -2.903 1.00 0.00 N ATOM 631 CA THR A 43 -8.824 -6.511 -3.443 1.00 0.00 C ATOM 632 C THR A 43 -7.314 -6.287 -3.544 1.00 0.00 C ATOM 633 O THR A 43 -6.865 -5.174 -3.812 1.00 0.00 O ATOM 634 CB THR A 43 -9.480 -6.841 -4.785 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.835 -7.128 -4.448 1.00 0.00 O ATOM 636 CG2 THR A 43 -8.961 -8.150 -5.385 1.00 0.00 C ATOM 0 H THR A 43 -9.909 -4.725 -3.601 1.00 0.00 H new ATOM 0 HA THR A 43 -8.950 -7.369 -2.783 1.00 0.00 H new ATOM 0 HB THR A 43 -9.303 -6.025 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.334 -7.351 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.459 -8.337 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.886 -8.075 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.168 -8.972 -4.700 1.00 0.00 H new ATOM 644 N ALA A 44 -6.573 -7.362 -3.324 1.00 0.00 N ATOM 645 CA ALA A 44 -5.123 -7.297 -3.386 1.00 0.00 C ATOM 646 C ALA A 44 -4.667 -7.547 -4.825 1.00 0.00 C ATOM 647 O ALA A 44 -3.850 -6.799 -5.360 1.00 0.00 O ATOM 648 CB ALA A 44 -4.523 -8.304 -2.402 1.00 0.00 C ATOM 0 H ALA A 44 -6.949 -8.284 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.771 -6.307 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.435 -8.255 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.854 -8.066 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.852 -9.309 -2.664 1.00 0.00 H new ATOM 654 N ASN A 45 -5.215 -8.601 -5.411 1.00 0.00 N ATOM 655 CA ASN A 45 -4.875 -8.959 -6.778 1.00 0.00 C ATOM 656 C ASN A 45 -5.202 -7.785 -7.704 1.00 0.00 C ATOM 657 O ASN A 45 -4.720 -7.730 -8.834 1.00 0.00 O ATOM 658 CB ASN A 45 -5.682 -10.171 -7.247 1.00 0.00 C ATOM 659 CG ASN A 45 -7.130 -10.087 -6.760 1.00 0.00 C ATOM 660 OD1 ASN A 45 -7.427 -10.237 -5.586 1.00 0.00 O ATOM 661 ND2 ASN A 45 -8.012 -9.840 -7.724 1.00 0.00 N ATOM 0 H ASN A 45 -5.892 -9.219 -4.964 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.812 -9.200 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.663 -10.226 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.221 -11.086 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.004 -9.766 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.696 -9.725 -8.687 1.00 0.00 H new ATOM 668 N LYS A 46 -6.017 -6.877 -7.190 1.00 0.00 N ATOM 669 CA LYS A 46 -6.414 -5.708 -7.956 1.00 0.00 C ATOM 670 C LYS A 46 -5.866 -4.450 -7.280 1.00 0.00 C ATOM 671 O LYS A 46 -6.572 -3.450 -7.157 1.00 0.00 O ATOM 672 CB LYS A 46 -7.931 -5.688 -8.156 1.00 0.00 C ATOM 673 CG LYS A 46 -8.405 -6.946 -8.887 1.00 0.00 C ATOM 674 CD LYS A 46 -9.132 -6.586 -10.184 1.00 0.00 C ATOM 675 CE LYS A 46 -9.589 -7.844 -10.924 1.00 0.00 C ATOM 676 NZ LYS A 46 -10.536 -7.494 -12.006 1.00 0.00 N ATOM 0 H LYS A 46 -6.414 -6.927 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.984 -5.745 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.428 -5.616 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.214 -4.803 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.550 -7.585 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.070 -7.518 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.994 -5.958 -9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.472 -6.002 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.725 -8.361 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.065 -8.532 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.836 -8.360 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.368 -7.021 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.070 -6.855 -12.682 1.00 0.00 H new ATOM 690 N ALA A 47 -4.613 -4.541 -6.859 1.00 0.00 N ATOM 691 CA ALA A 47 -3.963 -3.422 -6.198 1.00 0.00 C ATOM 692 C ALA A 47 -2.585 -3.197 -6.824 1.00 0.00 C ATOM 693 O ALA A 47 -2.057 -4.076 -7.503 1.00 0.00 O ATOM 694 CB ALA A 47 -3.883 -3.693 -4.695 1.00 0.00 C ATOM 0 H ALA A 47 -4.031 -5.372 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.541 -2.508 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.395 -2.854 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.889 -3.817 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.308 -4.602 -4.519 1.00 0.00 H new ATOM 700 N SER A 48 -2.042 -2.015 -6.573 1.00 0.00 N ATOM 701 CA SER A 48 -0.736 -1.663 -7.103 1.00 0.00 C ATOM 702 C SER A 48 0.309 -1.700 -5.987 1.00 0.00 C ATOM 703 O SER A 48 1.493 -1.915 -6.246 1.00 0.00 O ATOM 704 CB SER A 48 -0.762 -0.281 -7.760 1.00 0.00 C ATOM 705 OG SER A 48 -1.821 -0.160 -8.706 1.00 0.00 O ATOM 0 H SER A 48 -2.483 -1.288 -6.009 1.00 0.00 H new ATOM 0 HA SER A 48 -0.469 -2.394 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.873 0.484 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.191 -0.098 -8.257 1.00 0.00 H new ATOM 0 HG SER A 48 -1.629 0.580 -9.320 1.00 0.00 H new ATOM 711 N LEU A 49 -0.165 -1.487 -4.768 1.00 0.00 N ATOM 712 CA LEU A 49 0.714 -1.494 -3.611 1.00 0.00 C ATOM 713 C LEU A 49 -0.085 -1.899 -2.371 1.00 0.00 C ATOM 714 O LEU A 49 -1.312 -1.812 -2.363 1.00 0.00 O ATOM 715 CB LEU A 49 1.425 -0.147 -3.471 1.00 0.00 C ATOM 716 CG LEU A 49 2.040 0.148 -2.102 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.304 -0.685 -1.877 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.303 1.646 -1.929 1.00 0.00 C ATOM 0 H LEU A 49 -1.147 -1.308 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 49 1.504 -2.234 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.215 -0.096 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.712 0.644 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 49 1.321 -0.143 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.721 -0.456 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.055 -1.745 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.038 -0.448 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.740 1.828 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.992 1.986 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.364 2.193 -2.015 1.00 0.00 H new ATOM 730 N CYS A 50 0.643 -2.332 -1.352 1.00 0.00 N ATOM 731 CA CYS A 50 0.017 -2.751 -0.110 1.00 0.00 C ATOM 732 C CYS A 50 0.680 -1.992 1.042 1.00 0.00 C ATOM 733 O CYS A 50 1.897 -1.812 1.051 1.00 0.00 O ATOM 734 CB CYS A 50 0.099 -4.266 0.083 1.00 0.00 C ATOM 735 SG CYS A 50 -1.043 -4.791 1.413 1.00 0.00 S ATOM 0 H CYS A 50 1.661 -2.402 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.046 -2.512 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.156 -4.774 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.120 -4.554 0.334 1.00 0.00 H new ATOM 0 HG CYS A 50 -1.835 -3.806 1.719 1.00 0.00 H new ATOM 741 N ILE A 51 -0.149 -1.569 1.984 1.00 0.00 N ATOM 742 CA ILE A 51 0.342 -0.834 3.138 1.00 0.00 C ATOM 743 C ILE A 51 -0.137 -1.522 4.417 1.00 0.00 C ATOM 744 O ILE A 51 -1.251 -1.278 4.878 1.00 0.00 O ATOM 745 CB ILE A 51 -0.059 0.640 3.045 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.531 1.291 1.792 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.326 1.394 4.319 1.00 0.00 C ATOM 748 CD1 ILE A 51 0.161 2.774 1.719 1.00 0.00 C ATOM 0 H ILE A 51 -1.158 -1.721 1.972 1.00 0.00 H new ATOM 0 HA ILE A 51 1.432 -0.843 3.160 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.144 0.694 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.616 1.183 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.164 0.777 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.030 2.439 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.182 0.947 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.404 1.334 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.593 3.213 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.924 2.877 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.550 3.290 2.597 1.00 0.00 H new ATOM 760 N SER A 52 0.728 -2.369 4.956 1.00 0.00 N ATOM 761 CA SER A 52 0.408 -3.094 6.173 1.00 0.00 C ATOM 762 C SER A 52 1.550 -2.955 7.181 1.00 0.00 C ATOM 763 O SER A 52 2.485 -2.187 6.963 1.00 0.00 O ATOM 764 CB SER A 52 0.136 -4.571 5.879 1.00 0.00 C ATOM 765 OG SER A 52 -0.761 -5.147 6.824 1.00 0.00 O ATOM 0 H SER A 52 1.651 -2.569 4.571 1.00 0.00 H new ATOM 0 HA SER A 52 -0.498 -2.663 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.281 -4.670 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.076 -5.122 5.889 1.00 0.00 H new ATOM 0 HG SER A 52 -1.049 -4.461 7.462 1.00 0.00 H new ATOM 771 N THR A 53 1.436 -3.709 8.264 1.00 0.00 N ATOM 772 CA THR A 53 2.447 -3.680 9.307 1.00 0.00 C ATOM 773 C THR A 53 3.209 -5.006 9.349 1.00 0.00 C ATOM 774 O THR A 53 2.707 -6.029 8.888 1.00 0.00 O ATOM 775 CB THR A 53 1.755 -3.335 10.627 1.00 0.00 C ATOM 776 OG1 THR A 53 0.633 -4.212 10.671 1.00 0.00 O ATOM 777 CG2 THR A 53 1.135 -1.936 10.615 1.00 0.00 C ATOM 0 H THR A 53 0.658 -4.344 8.442 1.00 0.00 H new ATOM 0 HA THR A 53 3.198 -2.916 9.108 1.00 0.00 H new ATOM 0 HB THR A 53 2.474 -3.406 11.443 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.129 -4.057 11.497 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.657 -1.742 11.575 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.914 -1.194 10.441 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.391 -1.874 9.820 1.00 0.00 H new ATOM 785 N LYS A 54 4.409 -4.945 9.907 1.00 0.00 N ATOM 786 CA LYS A 54 5.245 -6.128 10.015 1.00 0.00 C ATOM 787 C LYS A 54 4.387 -7.315 10.458 1.00 0.00 C ATOM 788 O LYS A 54 4.323 -8.331 9.768 1.00 0.00 O ATOM 789 CB LYS A 54 6.440 -5.858 10.931 1.00 0.00 C ATOM 790 CG LYS A 54 7.151 -7.160 11.305 1.00 0.00 C ATOM 791 CD LYS A 54 8.621 -7.123 10.884 1.00 0.00 C ATOM 792 CE LYS A 54 8.788 -7.580 9.434 1.00 0.00 C ATOM 793 NZ LYS A 54 10.174 -8.038 9.191 1.00 0.00 N ATOM 0 H LYS A 54 4.822 -4.094 10.289 1.00 0.00 H new ATOM 0 HA LYS A 54 5.669 -6.385 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.140 -5.188 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.102 -5.351 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.081 -7.320 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.653 -8.002 10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.010 -6.111 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.207 -7.765 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.089 -8.388 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.546 -6.760 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.270 -8.345 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.835 -7.257 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.392 -8.835 9.823 1.00 0.00 H new ATOM 807 N LYS A 55 3.749 -7.147 11.607 1.00 0.00 N ATOM 808 CA LYS A 55 2.898 -8.191 12.150 1.00 0.00 C ATOM 809 C LYS A 55 2.062 -8.800 11.022 1.00 0.00 C ATOM 810 O LYS A 55 2.208 -9.978 10.702 1.00 0.00 O ATOM 811 CB LYS A 55 2.062 -7.651 13.312 1.00 0.00 C ATOM 812 CG LYS A 55 2.218 -8.530 14.555 1.00 0.00 C ATOM 813 CD LYS A 55 3.039 -7.817 15.631 1.00 0.00 C ATOM 814 CE LYS A 55 2.176 -7.490 16.852 1.00 0.00 C ATOM 815 NZ LYS A 55 2.602 -8.295 18.018 1.00 0.00 N ATOM 0 H LYS A 55 3.805 -6.303 12.177 1.00 0.00 H new ATOM 0 HA LYS A 55 3.503 -8.995 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.369 -6.631 13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.012 -7.609 13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.235 -8.784 14.951 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.704 -9.467 14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.877 -8.447 15.931 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.461 -6.899 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.255 -6.429 17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.128 -7.690 16.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.006 -8.061 18.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.504 -9.306 17.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.596 -8.084 18.241 1.00 0.00 H new ATOM 829 N GLU A 56 1.203 -7.968 10.450 1.00 0.00 N ATOM 830 CA GLU A 56 0.344 -8.409 9.365 1.00 0.00 C ATOM 831 C GLU A 56 1.128 -9.293 8.393 1.00 0.00 C ATOM 832 O GLU A 56 0.879 -10.495 8.302 1.00 0.00 O ATOM 833 CB GLU A 56 -0.279 -7.215 8.639 1.00 0.00 C ATOM 834 CG GLU A 56 -1.792 -7.166 8.863 1.00 0.00 C ATOM 835 CD GLU A 56 -2.439 -8.514 8.535 1.00 0.00 C ATOM 836 OE1 GLU A 56 -2.711 -8.736 7.336 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.645 -9.291 9.492 1.00 0.00 O ATOM 0 H GLU A 56 1.084 -6.991 10.718 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.469 -9.000 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.175 -6.291 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.068 -7.283 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.001 -6.901 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.230 -6.387 8.240 1.00 0.00 H new ATOM 844 N VAL A 57 2.059 -8.665 7.691 1.00 0.00 N ATOM 845 CA VAL A 57 2.881 -9.379 6.729 1.00 0.00 C ATOM 846 C VAL A 57 3.395 -10.672 7.365 1.00 0.00 C ATOM 847 O VAL A 57 3.567 -11.680 6.680 1.00 0.00 O ATOM 848 CB VAL A 57 4.005 -8.473 6.225 1.00 0.00 C ATOM 849 CG1 VAL A 57 4.944 -9.233 5.286 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.440 -7.225 5.544 1.00 0.00 C ATOM 0 H VAL A 57 2.263 -7.669 7.769 1.00 0.00 H new ATOM 0 HA VAL A 57 2.291 -9.658 5.856 1.00 0.00 H new ATOM 0 HB VAL A 57 4.586 -8.149 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.734 -8.565 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.387 -10.075 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.381 -9.601 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.260 -6.598 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.823 -7.521 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.833 -6.665 6.256 1.00 0.00 H new ATOM 860 N GLU A 58 3.625 -10.602 8.668 1.00 0.00 N ATOM 861 CA GLU A 58 4.116 -11.755 9.404 1.00 0.00 C ATOM 862 C GLU A 58 3.012 -12.804 9.545 1.00 0.00 C ATOM 863 O GLU A 58 3.277 -14.003 9.473 1.00 0.00 O ATOM 864 CB GLU A 58 4.657 -11.340 10.774 1.00 0.00 C ATOM 865 CG GLU A 58 6.185 -11.425 10.809 1.00 0.00 C ATOM 866 CD GLU A 58 6.703 -11.394 12.248 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.781 -10.275 12.799 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.010 -12.490 12.764 1.00 0.00 O ATOM 0 H GLU A 58 3.481 -9.765 9.233 1.00 0.00 H new ATOM 0 HA GLU A 58 4.940 -12.197 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.341 -10.322 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.236 -11.984 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.513 -12.342 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.612 -10.594 10.247 1.00 0.00 H new ATOM 875 N LYS A 59 1.797 -12.315 9.744 1.00 0.00 N ATOM 876 CA LYS A 59 0.651 -13.196 9.896 1.00 0.00 C ATOM 877 C LYS A 59 0.501 -14.052 8.637 1.00 0.00 C ATOM 878 O LYS A 59 0.346 -15.269 8.725 1.00 0.00 O ATOM 879 CB LYS A 59 -0.602 -12.390 10.244 1.00 0.00 C ATOM 880 CG LYS A 59 -0.830 -12.357 11.757 1.00 0.00 C ATOM 881 CD LYS A 59 -0.492 -10.980 12.332 1.00 0.00 C ATOM 882 CE LYS A 59 -1.721 -10.341 12.982 1.00 0.00 C ATOM 883 NZ LYS A 59 -1.804 -8.905 12.633 1.00 0.00 N ATOM 0 H LYS A 59 1.581 -11.320 9.804 1.00 0.00 H new ATOM 0 HA LYS A 59 0.804 -13.880 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.501 -11.373 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.470 -12.829 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.869 -12.602 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.214 -13.117 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.305 -11.075 13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.118 -10.333 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.623 -10.855 12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.668 -10.456 14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.679 -8.502 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.984 -8.403 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.808 -8.799 11.598 1.00 0.00 H new ATOM 897 N MET A 60 0.553 -13.383 7.495 1.00 0.00 N ATOM 898 CA MET A 60 0.425 -14.067 6.219 1.00 0.00 C ATOM 899 C MET A 60 -0.950 -14.724 6.085 1.00 0.00 C ATOM 900 O MET A 60 -1.068 -15.822 5.543 1.00 0.00 O ATOM 901 CB MET A 60 1.514 -15.136 6.102 1.00 0.00 C ATOM 902 CG MET A 60 2.782 -14.559 5.468 1.00 0.00 C ATOM 903 SD MET A 60 2.726 -14.764 3.696 1.00 0.00 S ATOM 904 CE MET A 60 2.309 -13.099 3.204 1.00 0.00 C ATOM 0 H MET A 60 0.682 -12.374 7.426 1.00 0.00 H new ATOM 0 HA MET A 60 0.536 -13.333 5.421 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.746 -15.534 7.090 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.149 -15.968 5.501 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.875 -13.502 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.661 -15.060 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.017 -12.754 2.451 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.301 -13.084 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.354 -12.441 4.072 1.00 0.00 H new ATOM 914 N ASN A 61 -1.956 -14.023 6.588 1.00 0.00 N ATOM 915 CA ASN A 61 -3.319 -14.524 6.531 1.00 0.00 C ATOM 916 C ASN A 61 -3.811 -14.489 5.082 1.00 0.00 C ATOM 917 O ASN A 61 -3.026 -14.261 4.163 1.00 0.00 O ATOM 918 CB ASN A 61 -4.260 -13.657 7.370 1.00 0.00 C ATOM 919 CG ASN A 61 -4.568 -12.337 6.661 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.573 -12.183 5.988 1.00 0.00 O ATOM 921 ND2 ASN A 61 -3.647 -11.395 6.849 1.00 0.00 N ATOM 0 H ASN A 61 -1.854 -13.113 7.037 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.321 -15.541 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.187 -14.198 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.806 -13.455 8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.760 -10.478 6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.828 -11.590 7.425 1.00 0.00 H new ATOM 928 N LYS A 62 -5.106 -14.719 4.925 1.00 0.00 N ATOM 929 CA LYS A 62 -5.711 -14.716 3.604 1.00 0.00 C ATOM 930 C LYS A 62 -5.449 -13.368 2.930 1.00 0.00 C ATOM 931 O LYS A 62 -4.806 -13.307 1.883 1.00 0.00 O ATOM 932 CB LYS A 62 -7.194 -15.082 3.693 1.00 0.00 C ATOM 933 CG LYS A 62 -7.472 -16.419 3.005 1.00 0.00 C ATOM 934 CD LYS A 62 -7.363 -17.580 3.997 1.00 0.00 C ATOM 935 CE LYS A 62 -6.852 -18.845 3.306 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.133 -20.038 4.135 1.00 0.00 N ATOM 0 H LYS A 62 -5.753 -14.909 5.690 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.255 -15.480 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.496 -15.138 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.794 -14.299 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.469 -16.405 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.765 -16.566 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.689 -17.307 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.338 -17.774 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.328 -18.952 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.780 -18.762 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.780 -20.888 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.658 -19.941 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.159 -20.125 4.282 1.00 0.00 H new ATOM 950 N LYS A 63 -5.962 -12.319 3.558 1.00 0.00 N ATOM 951 CA LYS A 63 -5.791 -10.976 3.032 1.00 0.00 C ATOM 952 C LYS A 63 -4.340 -10.787 2.588 1.00 0.00 C ATOM 953 O LYS A 63 -4.080 -10.411 1.445 1.00 0.00 O ATOM 954 CB LYS A 63 -6.263 -9.937 4.052 1.00 0.00 C ATOM 955 CG LYS A 63 -7.787 -9.809 4.039 1.00 0.00 C ATOM 956 CD LYS A 63 -8.214 -8.384 3.683 1.00 0.00 C ATOM 957 CE LYS A 63 -9.279 -8.389 2.584 1.00 0.00 C ATOM 958 NZ LYS A 63 -8.686 -7.995 1.287 1.00 0.00 N ATOM 0 H LYS A 63 -6.496 -12.373 4.426 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.415 -10.830 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.927 -10.222 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.811 -8.971 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.208 -10.510 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.187 -10.079 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.604 -7.885 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.347 -7.813 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.721 -9.382 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.084 -7.703 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.088 -7.085 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.656 -7.901 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.897 -8.722 0.574 1.00 0.00 H new ATOM 972 N MET A 64 -3.431 -11.055 3.514 1.00 0.00 N ATOM 973 CA MET A 64 -2.012 -10.920 3.232 1.00 0.00 C ATOM 974 C MET A 64 -1.578 -11.884 2.126 1.00 0.00 C ATOM 975 O MET A 64 -0.750 -11.537 1.285 1.00 0.00 O ATOM 976 CB MET A 64 -1.210 -11.205 4.503 1.00 0.00 C ATOM 977 CG MET A 64 0.251 -10.779 4.337 1.00 0.00 C ATOM 978 SD MET A 64 0.339 -9.038 3.955 1.00 0.00 S ATOM 979 CE MET A 64 -0.352 -8.357 5.453 1.00 0.00 C ATOM 0 H MET A 64 -3.650 -11.365 4.461 1.00 0.00 H new ATOM 0 HA MET A 64 -1.823 -9.901 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.654 -10.673 5.344 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.258 -12.269 4.737 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.805 -10.988 5.252 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.719 -11.358 3.541 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.256 -7.796 5.215 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.598 -9.166 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.375 -7.692 5.920 1.00 0.00 H new ATOM 989 N GLU A 65 -2.156 -13.075 2.164 1.00 0.00 N ATOM 990 CA GLU A 65 -1.839 -14.092 1.175 1.00 0.00 C ATOM 991 C GLU A 65 -2.055 -13.545 -0.237 1.00 0.00 C ATOM 992 O GLU A 65 -1.197 -13.702 -1.105 1.00 0.00 O ATOM 993 CB GLU A 65 -2.668 -15.358 1.405 1.00 0.00 C ATOM 994 CG GLU A 65 -1.865 -16.406 2.178 1.00 0.00 C ATOM 995 CD GLU A 65 -1.320 -17.482 1.237 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.257 -17.222 0.633 1.00 0.00 O ATOM 997 OE2 GLU A 65 -1.977 -18.541 1.144 1.00 0.00 O ATOM 0 H GLU A 65 -2.842 -13.359 2.864 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.788 -14.360 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.574 -15.108 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.983 -15.770 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.040 -15.924 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.497 -16.867 2.936 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.204 -12.913 -0.424 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.543 -12.342 -1.716 1.00 0.00 C ATOM 1006 C GLU A 66 -2.402 -11.456 -2.220 1.00 0.00 C ATOM 1007 O GLU A 66 -2.096 -11.449 -3.411 1.00 0.00 O ATOM 1008 CB GLU A 66 -4.855 -11.558 -1.642 1.00 0.00 C ATOM 1009 CG GLU A 66 -5.986 -12.432 -1.098 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.873 -12.950 -2.232 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.600 -12.113 -2.811 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.805 -14.170 -2.494 1.00 0.00 O ATOM 0 H GLU A 66 -3.912 -12.784 0.298 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.685 -13.157 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.725 -10.685 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.119 -11.190 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.567 -13.273 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.588 -11.857 -0.394 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.804 -10.728 -1.287 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.704 -9.840 -1.622 1.00 0.00 C ATOM 1021 C VAL A 67 0.511 -10.674 -2.035 1.00 0.00 C ATOM 1022 O VAL A 67 1.228 -10.314 -2.967 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.414 -8.901 -0.450 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.636 -7.856 -0.831 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.698 -8.233 0.047 1.00 0.00 C ATOM 0 H VAL A 67 -2.061 -10.735 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.968 -9.208 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.009 -9.499 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.823 -7.201 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.562 -8.357 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.272 -7.264 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.464 -7.571 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.144 -7.655 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.401 -8.997 0.377 1.00 0.00 H new ATOM 1035 N LYS A 68 0.705 -11.772 -1.320 1.00 0.00 N ATOM 1036 CA LYS A 68 1.821 -12.660 -1.600 1.00 0.00 C ATOM 1037 C LYS A 68 1.631 -13.291 -2.980 1.00 0.00 C ATOM 1038 O LYS A 68 2.585 -13.418 -3.746 1.00 0.00 O ATOM 1039 CB LYS A 68 1.989 -13.682 -0.474 1.00 0.00 C ATOM 1040 CG LYS A 68 3.199 -14.584 -0.727 1.00 0.00 C ATOM 1041 CD LYS A 68 3.879 -14.971 0.588 1.00 0.00 C ATOM 1042 CE LYS A 68 5.293 -15.498 0.339 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.257 -16.678 -0.553 1.00 0.00 N ATOM 0 H LYS A 68 0.108 -12.067 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 68 2.755 -12.099 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.110 -13.164 0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.088 -14.290 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.882 -15.483 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.912 -14.070 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.921 -14.105 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.288 -15.732 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.906 -14.715 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.760 -15.765 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.200 -17.114 -0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.570 -17.369 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.975 -16.382 -1.509 1.00 0.00 H new ATOM 1057 N GLU A 69 0.392 -13.670 -3.257 1.00 0.00 N ATOM 1058 CA GLU A 69 0.064 -14.286 -4.532 1.00 0.00 C ATOM 1059 C GLU A 69 0.298 -13.295 -5.674 1.00 0.00 C ATOM 1060 O GLU A 69 0.811 -13.668 -6.728 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.377 -14.800 -4.538 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.669 -15.629 -3.285 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.487 -16.875 -3.630 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -2.149 -17.510 -4.652 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.432 -17.163 -2.864 1.00 0.00 O ATOM 0 H GLU A 69 -0.397 -13.562 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 69 0.721 -15.143 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.067 -13.958 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.547 -15.407 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.732 -15.924 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.213 -15.022 -2.561 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.091 -12.053 -5.427 1.00 0.00 N ATOM 1073 CA ALA A 70 0.069 -11.007 -6.423 1.00 0.00 C ATOM 1074 C ALA A 70 1.449 -10.365 -6.263 1.00 0.00 C ATOM 1075 O ALA A 70 1.740 -9.346 -6.888 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.066 -9.991 -6.283 1.00 0.00 C ATOM 0 H ALA A 70 -0.517 -11.747 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 70 0.012 -11.422 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.946 -9.206 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.023 -10.491 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.039 -9.550 -5.286 1.00 0.00 H new ATOM 1082 N ASN A 71 2.263 -10.987 -5.423 1.00 0.00 N ATOM 1083 CA ASN A 71 3.605 -10.489 -5.173 1.00 0.00 C ATOM 1084 C ASN A 71 3.570 -8.962 -5.092 1.00 0.00 C ATOM 1085 O ASN A 71 4.300 -8.282 -5.812 1.00 0.00 O ATOM 1086 CB ASN A 71 4.557 -10.881 -6.305 1.00 0.00 C ATOM 1087 CG ASN A 71 5.972 -11.117 -5.774 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.188 -11.809 -4.793 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.922 -10.503 -6.475 1.00 0.00 N ATOM 0 H ASN A 71 2.019 -11.832 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 71 3.958 -10.924 -4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.193 -11.784 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.574 -10.094 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.900 -10.597 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.672 -9.938 -7.287 1.00 0.00 H new ATOM 1096 N ILE A 72 2.715 -8.467 -4.209 1.00 0.00 N ATOM 1097 CA ILE A 72 2.577 -7.033 -4.024 1.00 0.00 C ATOM 1098 C ILE A 72 3.390 -6.599 -2.803 1.00 0.00 C ATOM 1099 O ILE A 72 3.137 -7.057 -1.690 1.00 0.00 O ATOM 1100 CB ILE A 72 1.099 -6.643 -3.949 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.368 -7.014 -5.241 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.940 -5.160 -3.606 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.127 -6.704 -5.133 1.00 0.00 C ATOM 0 H ILE A 72 2.111 -9.034 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 72 2.982 -6.498 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 72 0.636 -7.212 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.798 -6.463 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.509 -8.074 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.120 -4.909 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.404 -4.958 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.422 -4.555 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.623 -6.977 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.559 -7.275 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.265 -5.639 -4.947 1.00 0.00 H new ATOM 1115 N ARG A 73 4.350 -5.721 -3.052 1.00 0.00 N ATOM 1116 CA ARG A 73 5.202 -5.220 -1.987 1.00 0.00 C ATOM 1117 C ARG A 73 4.351 -4.636 -0.857 1.00 0.00 C ATOM 1118 O ARG A 73 3.397 -3.902 -1.109 1.00 0.00 O ATOM 1119 CB ARG A 73 6.157 -4.143 -2.506 1.00 0.00 C ATOM 1120 CG ARG A 73 5.410 -2.839 -2.791 1.00 0.00 C ATOM 1121 CD ARG A 73 6.106 -2.038 -3.893 1.00 0.00 C ATOM 1122 NE ARG A 73 5.158 -1.764 -4.996 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.525 -1.365 -6.221 1.00 0.00 C ATOM 1124 NH1 ARG A 73 6.823 -1.191 -6.508 1.00 0.00 N ATOM 1125 NH2 ARG A 73 4.596 -1.140 -7.159 1.00 0.00 N ATOM 0 H ARG A 73 4.557 -5.343 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 73 5.788 -6.058 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.942 -3.963 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.645 -4.493 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.385 -3.060 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.355 -2.241 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.486 -1.100 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.965 -2.593 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 73 4.162 -1.887 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.531 -1.362 -5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.103 -0.887 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.608 -1.272 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.876 -0.836 -8.092 1.00 0.00 H new ATOM 1139 N VAL A 74 4.727 -4.985 0.364 1.00 0.00 N ATOM 1140 CA VAL A 74 4.011 -4.505 1.534 1.00 0.00 C ATOM 1141 C VAL A 74 4.885 -3.499 2.285 1.00 0.00 C ATOM 1142 O VAL A 74 5.939 -3.857 2.809 1.00 0.00 O ATOM 1143 CB VAL A 74 3.577 -5.687 2.403 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.507 -5.262 3.411 1.00 0.00 C ATOM 1145 CG2 VAL A 74 3.087 -6.852 1.541 1.00 0.00 C ATOM 0 H VAL A 74 5.519 -5.595 0.569 1.00 0.00 H new ATOM 0 HA VAL A 74 3.100 -3.985 1.238 1.00 0.00 H new ATOM 0 HB VAL A 74 4.448 -6.029 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.216 -6.120 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.906 -4.481 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.636 -4.882 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.785 -7.679 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.236 -6.528 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.891 -7.180 0.882 1.00 0.00 H new ATOM 1155 N VAL A 75 4.416 -2.261 2.313 1.00 0.00 N ATOM 1156 CA VAL A 75 5.142 -1.200 2.991 1.00 0.00 C ATOM 1157 C VAL A 75 4.351 -0.752 4.221 1.00 0.00 C ATOM 1158 O VAL A 75 3.191 -1.127 4.388 1.00 0.00 O ATOM 1159 CB VAL A 75 5.431 -0.057 2.016 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.335 -0.525 0.874 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.131 0.544 1.476 1.00 0.00 C ATOM 0 H VAL A 75 3.542 -1.968 1.877 1.00 0.00 H new ATOM 0 HA VAL A 75 6.109 -1.562 3.341 1.00 0.00 H new ATOM 0 HB VAL A 75 5.960 0.724 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.525 0.307 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.280 -0.883 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.845 -1.332 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.364 1.354 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.564 -0.226 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.538 0.932 2.304 1.00 0.00 H new ATOM 1171 N SER A 76 5.009 0.045 5.051 1.00 0.00 N ATOM 1172 CA SER A 76 4.381 0.548 6.260 1.00 0.00 C ATOM 1173 C SER A 76 3.693 1.885 5.976 1.00 0.00 C ATOM 1174 O SER A 76 3.865 2.459 4.901 1.00 0.00 O ATOM 1175 CB SER A 76 5.404 0.707 7.387 1.00 0.00 C ATOM 1176 OG SER A 76 4.865 0.336 8.653 1.00 0.00 O ATOM 0 H SER A 76 5.971 0.354 4.909 1.00 0.00 H new ATOM 0 HA SER A 76 3.634 -0.176 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.279 0.094 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.742 1.742 7.426 1.00 0.00 H new ATOM 0 HG SER A 76 5.549 0.450 9.346 1.00 0.00 H new ATOM 1182 N GLU A 77 2.929 2.342 6.957 1.00 0.00 N ATOM 1183 CA GLU A 77 2.215 3.601 6.825 1.00 0.00 C ATOM 1184 C GLU A 77 3.203 4.768 6.769 1.00 0.00 C ATOM 1185 O GLU A 77 2.847 5.867 6.346 1.00 0.00 O ATOM 1186 CB GLU A 77 1.213 3.785 7.966 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.093 4.398 7.456 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.156 5.894 7.771 1.00 0.00 C ATOM 1189 OE1 GLU A 77 0.057 6.235 8.954 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.415 6.663 6.820 1.00 0.00 O ATOM 0 H GLU A 77 2.789 1.863 7.847 1.00 0.00 H new ATOM 0 HA GLU A 77 1.653 3.581 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.008 2.822 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.645 4.427 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.175 4.246 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.941 3.890 7.915 1.00 0.00 H new ATOM 1197 N ASP A 78 4.424 4.490 7.202 1.00 0.00 N ATOM 1198 CA ASP A 78 5.465 5.503 7.206 1.00 0.00 C ATOM 1199 C ASP A 78 5.722 5.970 5.772 1.00 0.00 C ATOM 1200 O ASP A 78 6.130 7.109 5.550 1.00 0.00 O ATOM 1201 CB ASP A 78 6.775 4.943 7.763 1.00 0.00 C ATOM 1202 CG ASP A 78 6.626 4.063 9.005 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.632 4.272 9.733 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.511 3.201 9.199 1.00 0.00 O ATOM 0 H ASP A 78 4.715 3.578 7.553 1.00 0.00 H new ATOM 0 HA ASP A 78 5.130 6.329 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.266 4.363 6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.435 5.776 8.004 1.00 0.00 H new ATOM 1209 N PHE A 79 5.473 5.067 4.836 1.00 0.00 N ATOM 1210 CA PHE A 79 5.672 5.372 3.429 1.00 0.00 C ATOM 1211 C PHE A 79 4.802 6.553 2.996 1.00 0.00 C ATOM 1212 O PHE A 79 5.279 7.468 2.326 1.00 0.00 O ATOM 1213 CB PHE A 79 5.256 4.130 2.638 1.00 0.00 C ATOM 1214 CG PHE A 79 4.858 4.419 1.190 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.793 4.850 0.301 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.570 4.245 0.790 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.424 5.119 -1.044 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.201 4.513 -0.554 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.136 4.944 -1.443 1.00 0.00 C ATOM 0 H PHE A 79 5.135 4.123 5.024 1.00 0.00 H new ATOM 0 HA PHE A 79 6.714 5.638 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.080 3.417 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.418 3.652 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.816 4.988 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.827 3.903 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.166 5.462 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.178 4.375 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.855 5.147 -2.466 1.00 0.00 H new ATOM 1229 N LEU A 80 3.540 6.495 3.395 1.00 0.00 N ATOM 1230 CA LEU A 80 2.598 7.548 3.057 1.00 0.00 C ATOM 1231 C LEU A 80 3.156 8.895 3.523 1.00 0.00 C ATOM 1232 O LEU A 80 3.203 9.852 2.752 1.00 0.00 O ATOM 1233 CB LEU A 80 1.212 7.229 3.619 1.00 0.00 C ATOM 1234 CG LEU A 80 0.397 6.189 2.847 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.774 5.677 3.686 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.064 6.746 1.498 1.00 0.00 C ATOM 0 H LEU A 80 3.148 5.734 3.950 1.00 0.00 H new ATOM 0 HA LEU A 80 2.471 7.612 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.329 6.880 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.637 8.154 3.660 1.00 0.00 H new ATOM 0 HG LEU A 80 1.041 5.335 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.337 4.939 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.394 5.216 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.427 6.510 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.641 5.987 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.686 7.626 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.806 7.021 0.902 1.00 0.00 H new ATOM 1248 N GLN A 81 3.565 8.925 4.783 1.00 0.00 N ATOM 1249 CA GLN A 81 4.118 10.138 5.362 1.00 0.00 C ATOM 1250 C GLN A 81 5.338 10.598 4.562 1.00 0.00 C ATOM 1251 O GLN A 81 5.651 11.788 4.530 1.00 0.00 O ATOM 1252 CB GLN A 81 4.474 9.930 6.835 1.00 0.00 C ATOM 1253 CG GLN A 81 5.589 10.883 7.269 1.00 0.00 C ATOM 1254 CD GLN A 81 5.151 12.341 7.125 1.00 0.00 C ATOM 1255 OE1 GLN A 81 3.975 12.666 7.120 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.160 13.200 7.007 1.00 0.00 N ATOM 0 H GLN A 81 3.525 8.129 5.419 1.00 0.00 H new ATOM 0 HA GLN A 81 3.360 10.920 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.591 10.093 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.789 8.899 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.861 10.682 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.479 10.706 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.122 12.861 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.972 14.197 6.905 1.00 0.00 H new ATOM 1265 N ASP A 82 5.996 9.632 3.938 1.00 0.00 N ATOM 1266 CA ASP A 82 7.175 9.924 3.141 1.00 0.00 C ATOM 1267 C ASP A 82 6.744 10.360 1.739 1.00 0.00 C ATOM 1268 O ASP A 82 7.096 11.449 1.288 1.00 0.00 O ATOM 1269 CB ASP A 82 8.063 8.686 2.998 1.00 0.00 C ATOM 1270 CG ASP A 82 8.205 8.153 1.571 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.604 8.958 0.702 1.00 0.00 O ATOM 1272 OD2 ASP A 82 7.912 6.953 1.382 1.00 0.00 O ATOM 0 H ASP A 82 5.735 8.646 3.968 1.00 0.00 H new ATOM 0 HA ASP A 82 7.734 10.714 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.055 8.923 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.659 7.893 3.627 1.00 0.00 H new ATOM 1277 N VAL A 83 5.987 9.488 1.089 1.00 0.00 N ATOM 1278 CA VAL A 83 5.504 9.770 -0.251 1.00 0.00 C ATOM 1279 C VAL A 83 4.898 11.174 -0.286 1.00 0.00 C ATOM 1280 O VAL A 83 4.911 11.834 -1.324 1.00 0.00 O ATOM 1281 CB VAL A 83 4.521 8.683 -0.692 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.076 9.109 -0.423 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.722 8.328 -2.167 1.00 0.00 C ATOM 0 H VAL A 83 5.697 8.586 1.466 1.00 0.00 H new ATOM 0 HA VAL A 83 6.328 9.754 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 83 4.723 7.789 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.398 8.319 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.942 9.289 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.857 10.023 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.011 7.553 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.560 9.215 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.738 7.963 -2.318 1.00 0.00 H new ATOM 1293 N SER A 84 4.381 11.589 0.861 1.00 0.00 N ATOM 1294 CA SER A 84 3.771 12.903 0.975 1.00 0.00 C ATOM 1295 C SER A 84 4.838 13.948 1.306 1.00 0.00 C ATOM 1296 O SER A 84 4.712 15.111 0.924 1.00 0.00 O ATOM 1297 CB SER A 84 2.673 12.910 2.041 1.00 0.00 C ATOM 1298 OG SER A 84 1.795 14.023 1.896 1.00 0.00 O ATOM 0 H SER A 84 4.372 11.039 1.720 1.00 0.00 H new ATOM 0 HA SER A 84 3.312 13.151 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.100 11.985 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.129 12.934 3.031 1.00 0.00 H new ATOM 0 HG SER A 84 1.108 13.991 2.594 1.00 0.00 H new ATOM 1304 N ALA A 85 5.864 13.497 2.012 1.00 0.00 N ATOM 1305 CA ALA A 85 6.953 14.379 2.398 1.00 0.00 C ATOM 1306 C ALA A 85 8.285 13.741 2.001 1.00 0.00 C ATOM 1307 O ALA A 85 9.119 13.452 2.858 1.00 0.00 O ATOM 1308 CB ALA A 85 6.868 14.668 3.898 1.00 0.00 C ATOM 0 H ALA A 85 5.965 12.532 2.327 1.00 0.00 H new ATOM 0 HA ALA A 85 6.877 15.334 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.684 15.329 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.915 15.148 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.944 13.733 4.453 1.00 0.00 H new ATOM 1314 N SER A 86 8.445 13.541 0.701 1.00 0.00 N ATOM 1315 CA SER A 86 9.662 12.943 0.179 1.00 0.00 C ATOM 1316 C SER A 86 9.750 13.167 -1.331 1.00 0.00 C ATOM 1317 O SER A 86 8.728 13.278 -2.007 1.00 0.00 O ATOM 1318 CB SER A 86 9.722 11.448 0.499 1.00 0.00 C ATOM 1319 OG SER A 86 11.051 10.939 0.425 1.00 0.00 O ATOM 0 H SER A 86 7.751 13.783 -0.007 1.00 0.00 H new ATOM 0 HA SER A 86 10.513 13.424 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.323 11.275 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.086 10.902 -0.198 1.00 0.00 H new ATOM 0 HG SER A 86 11.151 10.194 1.053 1.00 0.00 H new ATOM 1325 N THR A 87 10.981 13.227 -1.818 1.00 0.00 N ATOM 1326 CA THR A 87 11.216 13.435 -3.237 1.00 0.00 C ATOM 1327 C THR A 87 12.069 12.301 -3.809 1.00 0.00 C ATOM 1328 O THR A 87 12.861 12.517 -4.724 1.00 0.00 O ATOM 1329 CB THR A 87 11.846 14.818 -3.413 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.006 14.780 -2.586 1.00 0.00 O ATOM 1331 CG2 THR A 87 10.992 15.933 -2.806 1.00 0.00 C ATOM 0 H THR A 87 11.826 13.135 -1.255 1.00 0.00 H new ATOM 0 HA THR A 87 10.283 13.412 -3.800 1.00 0.00 H new ATOM 0 HB THR A 87 11.998 15.014 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.476 15.638 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.485 16.893 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.015 15.946 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.867 15.755 -1.738 1.00 0.00 H new ATOM 1339 N LYS A 88 11.877 11.118 -3.245 1.00 0.00 N ATOM 1340 CA LYS A 88 12.619 9.949 -3.687 1.00 0.00 C ATOM 1341 C LYS A 88 11.747 9.126 -4.637 1.00 0.00 C ATOM 1342 O LYS A 88 10.573 9.436 -4.833 1.00 0.00 O ATOM 1343 CB LYS A 88 13.137 9.156 -2.486 1.00 0.00 C ATOM 1344 CG LYS A 88 14.073 10.010 -1.627 1.00 0.00 C ATOM 1345 CD LYS A 88 15.387 9.276 -1.352 1.00 0.00 C ATOM 1346 CE LYS A 88 15.437 8.764 0.089 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.822 8.813 0.609 1.00 0.00 N ATOM 0 H LYS A 88 11.218 10.943 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 88 13.505 10.250 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.297 8.812 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.665 8.268 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.278 10.953 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.585 10.255 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.492 8.440 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.227 9.946 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.784 9.369 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.063 7.741 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.838 8.462 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.436 8.217 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.166 9.794 0.587 1.00 0.00 H new ATOM 1361 N SER A 89 12.355 8.093 -5.203 1.00 0.00 N ATOM 1362 CA SER A 89 11.648 7.224 -6.127 1.00 0.00 C ATOM 1363 C SER A 89 10.769 6.240 -5.353 1.00 0.00 C ATOM 1364 O SER A 89 11.139 5.792 -4.268 1.00 0.00 O ATOM 1365 CB SER A 89 12.627 6.465 -7.027 1.00 0.00 C ATOM 1366 OG SER A 89 13.579 7.335 -7.632 1.00 0.00 O ATOM 0 H SER A 89 13.329 7.839 -5.039 1.00 0.00 H new ATOM 0 HA SER A 89 11.016 7.844 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.148 5.709 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.072 5.938 -7.803 1.00 0.00 H new ATOM 0 HG SER A 89 14.187 6.813 -8.197 1.00 0.00 H new ATOM 1372 N LEU A 90 9.621 5.933 -5.939 1.00 0.00 N ATOM 1373 CA LEU A 90 8.686 5.011 -5.317 1.00 0.00 C ATOM 1374 C LEU A 90 9.422 3.726 -4.934 1.00 0.00 C ATOM 1375 O LEU A 90 9.452 3.349 -3.763 1.00 0.00 O ATOM 1376 CB LEU A 90 7.478 4.779 -6.227 1.00 0.00 C ATOM 1377 CG LEU A 90 6.299 5.736 -6.033 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.798 5.703 -4.588 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.663 7.152 -6.482 1.00 0.00 C ATOM 0 H LEU A 90 9.317 6.307 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 90 8.287 5.437 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.810 4.848 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.123 3.760 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 90 5.478 5.399 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.960 6.392 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.473 4.693 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.604 6.001 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.808 7.812 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.507 7.514 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.934 7.141 -7.538 1.00 0.00 H new ATOM 1391 N GLN A 91 9.999 3.089 -5.942 1.00 0.00 N ATOM 1392 CA GLN A 91 10.733 1.854 -5.725 1.00 0.00 C ATOM 1393 C GLN A 91 11.558 1.946 -4.439 1.00 0.00 C ATOM 1394 O GLN A 91 11.415 1.113 -3.545 1.00 0.00 O ATOM 1395 CB GLN A 91 11.624 1.528 -6.925 1.00 0.00 C ATOM 1396 CG GLN A 91 11.701 0.017 -7.156 1.00 0.00 C ATOM 1397 CD GLN A 91 13.134 -0.491 -6.988 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.078 0.269 -6.851 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.243 -1.817 -7.007 1.00 0.00 N ATOM 0 H GLN A 91 9.973 3.405 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 91 10.015 1.042 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.232 2.016 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.625 1.926 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.045 -0.496 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.342 -0.220 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.411 -2.395 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.158 -2.255 -6.903 1.00 0.00 H new ATOM 1408 N GLU A 92 12.402 2.966 -4.386 1.00 0.00 N ATOM 1409 CA GLU A 92 13.249 3.178 -3.225 1.00 0.00 C ATOM 1410 C GLU A 92 12.397 3.280 -1.958 1.00 0.00 C ATOM 1411 O GLU A 92 12.629 2.558 -0.990 1.00 0.00 O ATOM 1412 CB GLU A 92 14.121 4.422 -3.401 1.00 0.00 C ATOM 1413 CG GLU A 92 15.097 4.248 -4.567 1.00 0.00 C ATOM 1414 CD GLU A 92 16.451 3.733 -4.075 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.261 4.584 -3.650 1.00 0.00 O ATOM 1416 OE2 GLU A 92 16.645 2.499 -4.136 1.00 0.00 O ATOM 0 H GLU A 92 12.517 3.655 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 92 13.914 2.321 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.488 5.292 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.676 4.614 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.681 3.550 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.230 5.201 -5.080 1.00 0.00 H new ATOM 1423 N LEU A 93 11.429 4.183 -2.006 1.00 0.00 N ATOM 1424 CA LEU A 93 10.541 4.390 -0.874 1.00 0.00 C ATOM 1425 C LEU A 93 10.042 3.034 -0.370 1.00 0.00 C ATOM 1426 O LEU A 93 10.252 2.684 0.790 1.00 0.00 O ATOM 1427 CB LEU A 93 9.418 5.360 -1.244 1.00 0.00 C ATOM 1428 CG LEU A 93 9.799 6.841 -1.288 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.571 7.716 -1.552 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.534 7.256 -0.012 1.00 0.00 C ATOM 0 H LEU A 93 11.240 4.780 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 93 11.077 4.860 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.027 5.077 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.606 5.235 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 93 10.487 6.992 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.870 8.764 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.127 7.441 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.840 7.567 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.793 8.313 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.890 7.087 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.443 6.664 0.093 1.00 0.00 H new ATOM 1442 N PHE A 94 9.389 2.309 -1.267 1.00 0.00 N ATOM 1443 CA PHE A 94 8.858 1.000 -0.927 1.00 0.00 C ATOM 1444 C PHE A 94 9.910 0.149 -0.213 1.00 0.00 C ATOM 1445 O PHE A 94 9.627 -0.459 0.817 1.00 0.00 O ATOM 1446 CB PHE A 94 8.474 0.318 -2.242 1.00 0.00 C ATOM 1447 CG PHE A 94 7.401 1.062 -3.039 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.426 1.752 -2.388 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.422 1.034 -4.398 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.430 2.443 -3.128 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.426 1.724 -5.138 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.451 2.414 -4.487 1.00 0.00 C ATOM 0 H PHE A 94 9.216 2.603 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 94 8.003 1.108 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.366 0.216 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.119 -0.690 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.409 1.774 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.196 0.487 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.656 2.991 -2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.442 1.701 -6.218 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.693 2.939 -5.050 1.00 0.00 H new ATOM 1462 N LEU A 95 11.103 0.134 -0.790 1.00 0.00 N ATOM 1463 CA LEU A 95 12.199 -0.631 -0.221 1.00 0.00 C ATOM 1464 C LEU A 95 12.519 -0.096 1.176 1.00 0.00 C ATOM 1465 O LEU A 95 12.447 -0.833 2.158 1.00 0.00 O ATOM 1466 CB LEU A 95 13.400 -0.632 -1.169 1.00 0.00 C ATOM 1467 CG LEU A 95 14.745 -0.246 -0.549 1.00 0.00 C ATOM 1468 CD1 LEU A 95 15.037 -1.088 0.695 1.00 0.00 C ATOM 1469 CD2 LEU A 95 15.871 -0.338 -1.580 1.00 0.00 C ATOM 0 H LEU A 95 11.334 0.639 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 95 11.913 -1.676 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.495 -1.628 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.190 0.054 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 95 14.687 0.794 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 95 15.998 -0.794 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.253 -0.928 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.068 -2.143 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 95 16.815 -0.058 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.939 -1.360 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.662 0.338 -2.409 1.00 0.00 H new ATOM 1481 N ALA A 96 12.866 1.182 1.220 1.00 0.00 N ATOM 1482 CA ALA A 96 13.197 1.824 2.481 1.00 0.00 C ATOM 1483 C ALA A 96 12.029 1.659 3.455 1.00 0.00 C ATOM 1484 O ALA A 96 12.196 1.815 4.663 1.00 0.00 O ATOM 1485 CB ALA A 96 13.545 3.292 2.230 1.00 0.00 C ATOM 0 H ALA A 96 12.925 1.790 0.403 1.00 0.00 H new ATOM 0 HA ALA A 96 14.071 1.355 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.793 3.774 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.400 3.353 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.690 3.797 1.779 1.00 0.00 H new ATOM 1491 N HIS A 97 10.871 1.346 2.892 1.00 0.00 N ATOM 1492 CA HIS A 97 9.674 1.159 3.695 1.00 0.00 C ATOM 1493 C HIS A 97 9.012 -0.170 3.327 1.00 0.00 C ATOM 1494 O HIS A 97 7.790 -0.248 3.213 1.00 0.00 O ATOM 1495 CB HIS A 97 8.729 2.353 3.549 1.00 0.00 C ATOM 1496 CG HIS A 97 9.391 3.692 3.773 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.804 4.642 2.885 1.00 0.00 N flip ATOM 1498 CD2 HIS A 97 9.696 4.175 5.033 1.00 0.00 C flip ATOM 1499 CE1 HIS A 97 10.331 5.652 3.567 1.00 0.00 C flip ATOM 1500 NE2 HIS A 97 10.266 5.364 4.898 1.00 0.00 N flip ATOM 0 H HIS A 97 10.736 1.217 1.889 1.00 0.00 H new ATOM 0 HA HIS A 97 9.944 1.111 4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.293 2.338 2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.908 2.242 4.257 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.722 4.586 1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.503 3.669 5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.743 6.553 3.138 1.00 0.00 H new ATOM 1508 N ILE A 98 9.848 -1.182 3.151 1.00 0.00 N ATOM 1509 CA ILE A 98 9.359 -2.504 2.798 1.00 0.00 C ATOM 1510 C ILE A 98 9.191 -3.337 4.070 1.00 0.00 C ATOM 1511 O ILE A 98 10.142 -3.518 4.829 1.00 0.00 O ATOM 1512 CB ILE A 98 10.271 -3.152 1.754 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.618 -4.399 1.154 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.650 -3.455 2.344 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.180 -4.147 -0.290 1.00 0.00 C ATOM 0 H ILE A 98 10.861 -1.113 3.246 1.00 0.00 H new ATOM 0 HA ILE A 98 8.377 -2.435 2.330 1.00 0.00 H new ATOM 0 HB ILE A 98 10.417 -2.442 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.320 -5.232 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.755 -4.687 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.279 -3.915 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.112 -2.528 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.543 -4.138 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.719 -5.049 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.460 -3.329 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.049 -3.883 -0.893 1.00 0.00 H new ATOM 1527 N LEU A 99 7.973 -3.824 4.264 1.00 0.00 N ATOM 1528 CA LEU A 99 7.668 -4.633 5.431 1.00 0.00 C ATOM 1529 C LEU A 99 7.758 -6.114 5.057 1.00 0.00 C ATOM 1530 O LEU A 99 7.853 -6.974 5.931 1.00 0.00 O ATOM 1531 CB LEU A 99 6.317 -4.230 6.025 1.00 0.00 C ATOM 1532 CG LEU A 99 6.267 -2.861 6.707 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.991 -2.709 7.538 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.526 -2.617 7.541 1.00 0.00 C ATOM 0 H LEU A 99 7.187 -3.673 3.632 1.00 0.00 H new ATOM 0 HA LEU A 99 8.401 -4.457 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.573 -4.245 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.021 -4.987 6.751 1.00 0.00 H new ATOM 0 HG LEU A 99 6.241 -2.095 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.980 -1.728 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.121 -2.808 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.962 -3.483 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.464 -1.637 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.609 -3.387 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.403 -2.653 6.895 1.00 0.00 H new ATOM 1546 N SER A 100 7.723 -6.366 3.756 1.00 0.00 N ATOM 1547 CA SER A 100 7.799 -7.728 3.255 1.00 0.00 C ATOM 1548 C SER A 100 9.144 -7.956 2.562 1.00 0.00 C ATOM 1549 O SER A 100 9.994 -7.067 2.539 1.00 0.00 O ATOM 1550 CB SER A 100 6.648 -8.025 2.292 1.00 0.00 C ATOM 1551 OG SER A 100 6.962 -7.649 0.954 1.00 0.00 O ATOM 0 H SER A 100 7.643 -5.650 3.034 1.00 0.00 H new ATOM 0 HA SER A 100 7.714 -8.410 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.414 -9.089 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.755 -7.492 2.619 1.00 0.00 H new ATOM 0 HG SER A 100 6.596 -8.313 0.333 1.00 0.00 H new ATOM 1557 N SER A 101 9.295 -9.153 2.014 1.00 0.00 N ATOM 1558 CA SER A 101 10.522 -9.509 1.322 1.00 0.00 C ATOM 1559 C SER A 101 10.246 -9.695 -0.171 1.00 0.00 C ATOM 1560 O SER A 101 11.170 -9.900 -0.956 1.00 0.00 O ATOM 1561 CB SER A 101 11.137 -10.781 1.911 1.00 0.00 C ATOM 1562 OG SER A 101 12.490 -10.585 2.311 1.00 0.00 O ATOM 0 H SER A 101 8.588 -9.888 2.035 1.00 0.00 H new ATOM 0 HA SER A 101 11.237 -8.697 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.548 -11.104 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.090 -11.582 1.173 1.00 0.00 H new ATOM 0 HG SER A 101 12.845 -11.419 2.683 1.00 0.00 H new ATOM 1568 N TRP A 102 8.970 -9.617 -0.518 1.00 0.00 N ATOM 1569 CA TRP A 102 8.560 -9.774 -1.903 1.00 0.00 C ATOM 1570 C TRP A 102 8.106 -8.407 -2.420 1.00 0.00 C ATOM 1571 O TRP A 102 8.393 -7.381 -1.805 1.00 0.00 O ATOM 1572 CB TRP A 102 7.483 -10.852 -2.038 1.00 0.00 C ATOM 1573 CG TRP A 102 6.104 -10.420 -1.534 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.131 -9.804 -2.220 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.581 -10.597 -0.201 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.024 -9.572 -1.429 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.306 -10.070 -0.163 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.166 -11.183 0.935 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.508 -10.076 0.988 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.356 -11.182 2.077 1.00 0.00 C ATOM 1581 CH2 TRP A 102 4.071 -10.655 2.132 1.00 0.00 C ATOM 0 H TRP A 102 8.206 -9.447 0.136 1.00 0.00 H new ATOM 0 HA TRP A 102 9.394 -10.118 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.402 -11.141 -3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.799 -11.738 -1.487 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.204 -9.524 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.158 -9.118 -1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.162 -11.601 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.513 -9.657 0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.758 -11.621 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.509 -10.692 3.053 1.00 0.00 H new ATOM 1592 N GLY A 103 7.406 -8.438 -3.544 1.00 0.00 N ATOM 1593 CA GLY A 103 6.910 -7.214 -4.150 1.00 0.00 C ATOM 1594 C GLY A 103 7.925 -6.643 -5.142 1.00 0.00 C ATOM 1595 O GLY A 103 8.361 -5.501 -5.002 1.00 0.00 O ATOM 0 H GLY A 103 7.170 -9.291 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.968 -7.413 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.701 -6.478 -3.373 1.00 0.00 H new