USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 866 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 108 THR OG1 : rot 70:sc= 0.0108 USER MOD Set 1.2: A 111 LYS NZ :NH3+ -170:sc= 0.938 (180deg=0.575) USER MOD Set 2.1: A 102 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 106 GLN : amide:sc= 1.06 K(o=2.3,f=-6.9!) USER MOD Set 3.1: A 71 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 72 SER OG : rot 180:sc= 0.969 USER MOD Set 4.1: A 13 THR OG1 : rot -170:sc= 0.932 USER MOD Set 4.2: A 16 THR OG1 : rot 103:sc= 1.02 USER MOD Single : A 7 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.48) USER MOD Single : A 11 CYS SG : rot 44:sc= -0.7 USER MOD Single : A 12 HIS : no HE2:sc= 1.12 K(o=1.1,f=-6.1!) USER MOD Single : A 18 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 20 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= -0.0087 (180deg=-0.0985) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 86:sc= 0.386 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 1.08 (180deg=-0.659) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.397 (180deg=0.147) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0.24 (180deg=-0.226) USER MOD Single : A 67 THR OG1 : rot -29:sc= -0.402 USER MOD Single : A 75 SER OG : rot 76:sc= 0.434 USER MOD Single : A 80 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.1) USER MOD Single : A 82 MET CE :methyl -179:sc= -1.46 (180deg=-1.46) USER MOD Single : A 84 THR OG1 : rot 63:sc= 0.309 USER MOD Single : A 86 MET CE :methyl -126:sc= -1.64 (180deg=-4.04!) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc=-0.00197 (180deg=-0.0775) USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.903) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.712) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.778 -0.369 -13.058 1.00 0.00 N ATOM 70 CA GLY A 6 -4.298 -1.538 -12.367 1.00 0.00 C ATOM 71 C GLY A 6 -2.904 -1.326 -11.847 1.00 0.00 C ATOM 72 O GLY A 6 -2.186 -2.289 -11.547 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.966 -1.774 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.311 -2.394 -13.042 1.00 0.00 H new ATOM 76 N GLN A 7 -2.508 -0.072 -11.751 1.00 0.00 N ATOM 77 CA GLN A 7 -1.148 0.260 -11.410 1.00 0.00 C ATOM 78 C GLN A 7 -0.919 0.432 -9.944 1.00 0.00 C ATOM 79 O GLN A 7 -1.753 0.940 -9.197 1.00 0.00 O ATOM 80 CB GLN A 7 -0.670 1.516 -12.106 1.00 0.00 C ATOM 81 CG GLN A 7 -1.520 2.749 -11.824 1.00 0.00 C ATOM 82 CD GLN A 7 -0.933 4.011 -12.399 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.145 4.695 -11.749 1.00 0.00 O ATOM 84 NE2 GLN A 7 -1.298 4.339 -13.595 1.00 0.00 N ATOM 0 H GLN A 7 -3.115 0.733 -11.906 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.576 -0.602 -11.754 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.357 1.719 -11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.654 1.338 -13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.518 2.598 -12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.635 2.866 -10.746 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.954 3.750 -14.108 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.930 5.187 -14.026 1.00 0.00 H new ATOM 93 N VAL A 8 0.215 -0.019 -9.566 1.00 0.00 N ATOM 94 CA VAL A 8 0.730 0.111 -8.236 1.00 0.00 C ATOM 95 C VAL A 8 2.020 0.920 -8.343 1.00 0.00 C ATOM 96 O VAL A 8 2.874 0.591 -9.180 1.00 0.00 O ATOM 97 CB VAL A 8 1.045 -1.276 -7.619 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.516 -1.138 -6.194 1.00 0.00 C ATOM 99 CG2 VAL A 8 -0.159 -2.204 -7.690 1.00 0.00 C ATOM 0 H VAL A 8 0.848 -0.513 -10.195 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.005 0.597 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 8 1.848 -1.719 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.730 -2.125 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.420 -0.530 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.739 -0.659 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.097 -3.167 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.991 -1.763 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.447 -2.347 -8.731 1.00 0.00 H new ATOM 109 N ILE A 9 2.184 1.965 -7.554 1.00 0.00 N ATOM 110 CA ILE A 9 3.400 2.738 -7.654 1.00 0.00 C ATOM 111 C ILE A 9 4.486 2.134 -6.786 1.00 0.00 C ATOM 112 O ILE A 9 4.402 2.154 -5.559 1.00 0.00 O ATOM 113 CB ILE A 9 3.178 4.227 -7.275 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.171 4.874 -8.235 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.503 5.004 -7.283 1.00 0.00 C ATOM 116 CD1 ILE A 9 2.593 4.853 -9.697 1.00 0.00 C ATOM 0 H ILE A 9 1.512 2.289 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 9 3.716 2.708 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 9 2.774 4.264 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.214 4.361 -8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.010 5.908 -7.931 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.317 6.044 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.190 4.560 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.944 4.960 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.824 5.330 -10.305 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.533 5.392 -9.812 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.725 3.821 -10.023 1.00 0.00 H new ATOM 128 N ALA A 10 5.500 1.609 -7.423 1.00 0.00 N ATOM 129 CA ALA A 10 6.609 1.012 -6.730 1.00 0.00 C ATOM 130 C ALA A 10 7.629 2.073 -6.406 1.00 0.00 C ATOM 131 O ALA A 10 8.209 2.685 -7.310 1.00 0.00 O ATOM 132 CB ALA A 10 7.233 -0.099 -7.560 1.00 0.00 C ATOM 0 H ALA A 10 5.579 1.584 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 10 6.249 0.568 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.070 -0.535 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.487 -0.869 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.590 0.310 -8.505 1.00 0.00 H new ATOM 138 N CYS A 11 7.826 2.311 -5.141 1.00 0.00 N ATOM 139 CA CYS A 11 8.721 3.303 -4.705 1.00 0.00 C ATOM 140 C CYS A 11 9.990 2.654 -4.193 1.00 0.00 C ATOM 141 O CYS A 11 9.947 1.717 -3.384 1.00 0.00 O ATOM 142 CB CYS A 11 8.085 4.087 -3.592 1.00 0.00 C ATOM 143 SG CYS A 11 6.403 4.655 -3.957 1.00 0.00 S ATOM 0 H CYS A 11 7.357 1.808 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 11 8.961 3.966 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.062 3.470 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.709 4.952 -3.368 1.00 0.00 H new ATOM 0 HG CYS A 11 5.732 3.693 -4.518 1.00 0.00 H new ATOM 149 N HIS A 12 11.099 3.123 -4.678 1.00 0.00 N ATOM 150 CA HIS A 12 12.393 2.653 -4.226 1.00 0.00 C ATOM 151 C HIS A 12 13.182 3.820 -3.710 1.00 0.00 C ATOM 152 O HIS A 12 14.350 3.701 -3.382 1.00 0.00 O ATOM 153 CB HIS A 12 13.171 1.962 -5.355 1.00 0.00 C ATOM 154 CG HIS A 12 12.532 0.713 -5.871 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.902 -0.535 -5.456 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.553 0.524 -6.783 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.194 -1.440 -6.083 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.362 -0.823 -6.900 1.00 0.00 N ATOM 0 H HIS A 12 11.143 3.843 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 12 12.236 1.920 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.288 2.663 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.172 1.722 -4.996 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.622 -0.732 -4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.020 1.295 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.277 -2.509 -5.954 1.00 0.00 H new ATOM 167 N THR A 13 12.525 4.949 -3.606 1.00 0.00 N ATOM 168 CA THR A 13 13.176 6.163 -3.178 1.00 0.00 C ATOM 169 C THR A 13 12.320 6.897 -2.172 1.00 0.00 C ATOM 170 O THR A 13 11.079 6.874 -2.264 1.00 0.00 O ATOM 171 CB THR A 13 13.507 7.085 -4.388 1.00 0.00 C ATOM 172 OG1 THR A 13 12.344 7.244 -5.227 1.00 0.00 O ATOM 173 CG2 THR A 13 14.662 6.528 -5.210 1.00 0.00 C ATOM 0 H THR A 13 11.532 5.053 -3.814 1.00 0.00 H new ATOM 0 HA THR A 13 14.116 5.887 -2.701 1.00 0.00 H new ATOM 0 HB THR A 13 13.805 8.056 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.601 7.691 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.868 7.195 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.550 6.448 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.396 5.541 -5.589 1.00 0.00 H new ATOM 181 N VAL A 14 12.963 7.548 -1.207 1.00 0.00 N ATOM 182 CA VAL A 14 12.243 8.282 -0.186 1.00 0.00 C ATOM 183 C VAL A 14 11.621 9.545 -0.795 1.00 0.00 C ATOM 184 O VAL A 14 10.623 10.044 -0.314 1.00 0.00 O ATOM 185 CB VAL A 14 13.132 8.608 1.071 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.325 9.484 0.727 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.307 9.220 2.201 1.00 0.00 C ATOM 0 H VAL A 14 13.978 7.579 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 14 11.442 7.642 0.184 1.00 0.00 H new ATOM 0 HB VAL A 14 13.528 7.656 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.905 9.679 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.952 8.974 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.975 10.428 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.955 9.431 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.848 10.146 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.528 8.520 2.503 1.00 0.00 H new ATOM 197 N GLU A 15 12.215 10.016 -1.892 1.00 0.00 N ATOM 198 CA GLU A 15 11.693 11.150 -2.647 1.00 0.00 C ATOM 199 C GLU A 15 10.291 10.833 -3.143 1.00 0.00 C ATOM 200 O GLU A 15 9.351 11.580 -2.896 1.00 0.00 O ATOM 201 CB GLU A 15 12.604 11.428 -3.850 1.00 0.00 C ATOM 202 CG GLU A 15 12.119 12.533 -4.787 1.00 0.00 C ATOM 203 CD GLU A 15 12.034 13.895 -4.136 1.00 0.00 C ATOM 204 OE1 GLU A 15 11.036 14.190 -3.456 1.00 0.00 O ATOM 205 OE2 GLU A 15 12.951 14.705 -4.327 1.00 0.00 O ATOM 0 H GLU A 15 13.071 9.621 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 15 11.661 12.027 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.595 11.694 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.713 10.508 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.792 12.592 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.136 12.263 -5.172 1.00 0.00 H new ATOM 212 N THR A 16 10.160 9.696 -3.801 1.00 0.00 N ATOM 213 CA THR A 16 8.887 9.264 -4.329 1.00 0.00 C ATOM 214 C THR A 16 7.900 9.010 -3.180 1.00 0.00 C ATOM 215 O THR A 16 6.759 9.446 -3.233 1.00 0.00 O ATOM 216 CB THR A 16 9.060 8.000 -5.200 1.00 0.00 C ATOM 217 OG1 THR A 16 10.026 8.282 -6.233 1.00 0.00 O ATOM 218 CG2 THR A 16 7.742 7.592 -5.854 1.00 0.00 C ATOM 0 H THR A 16 10.930 9.052 -3.982 1.00 0.00 H new ATOM 0 HA THR A 16 8.483 10.053 -4.963 1.00 0.00 H new ATOM 0 HB THR A 16 9.395 7.181 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.886 7.875 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.898 6.699 -6.460 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.002 7.382 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.384 8.403 -6.488 1.00 0.00 H new ATOM 226 N TRP A 17 8.381 8.346 -2.138 1.00 0.00 N ATOM 227 CA TRP A 17 7.593 8.066 -0.940 1.00 0.00 C ATOM 228 C TRP A 17 7.018 9.355 -0.331 1.00 0.00 C ATOM 229 O TRP A 17 5.803 9.480 -0.124 1.00 0.00 O ATOM 230 CB TRP A 17 8.484 7.335 0.081 1.00 0.00 C ATOM 231 CG TRP A 17 7.883 7.187 1.446 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.252 7.862 2.572 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.805 6.339 1.827 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.477 7.476 3.625 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.581 6.543 3.200 1.00 0.00 C ATOM 236 CE3 TRP A 17 6.013 5.428 1.147 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.594 5.865 3.904 1.00 0.00 C ATOM 238 CZ3 TRP A 17 5.035 4.762 1.841 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.831 4.983 3.209 1.00 0.00 C ATOM 0 H TRP A 17 9.334 7.983 -2.097 1.00 0.00 H new ATOM 0 HA TRP A 17 6.747 7.435 -1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.719 6.344 -0.307 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.427 7.874 0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.043 8.596 2.622 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.556 7.830 4.579 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.162 5.246 0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.440 6.032 4.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.409 4.052 1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.050 4.440 3.722 1.00 0.00 H new ATOM 250 N ASN A 18 7.895 10.298 -0.078 1.00 0.00 N ATOM 251 CA ASN A 18 7.546 11.556 0.554 1.00 0.00 C ATOM 252 C ASN A 18 6.588 12.339 -0.332 1.00 0.00 C ATOM 253 O ASN A 18 5.533 12.804 0.137 1.00 0.00 O ATOM 254 CB ASN A 18 8.835 12.368 0.812 1.00 0.00 C ATOM 255 CG ASN A 18 8.661 13.643 1.638 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.606 14.275 1.653 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.716 14.040 2.309 1.00 0.00 N ATOM 0 H ASN A 18 8.885 10.215 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 18 7.049 11.363 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.553 11.724 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.272 12.637 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.676 14.895 2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.577 13.494 2.276 1.00 0.00 H new ATOM 264 N GLU A 19 6.933 12.443 -1.606 1.00 0.00 N ATOM 265 CA GLU A 19 6.154 13.203 -2.561 1.00 0.00 C ATOM 266 C GLU A 19 4.747 12.639 -2.716 1.00 0.00 C ATOM 267 O GLU A 19 3.776 13.392 -2.676 1.00 0.00 O ATOM 268 CB GLU A 19 6.860 13.260 -3.912 1.00 0.00 C ATOM 269 CG GLU A 19 6.155 14.118 -4.939 1.00 0.00 C ATOM 270 CD GLU A 19 6.879 14.151 -6.243 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.808 14.965 -6.397 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.529 13.386 -7.145 1.00 0.00 O ATOM 0 H GLU A 19 7.762 12.001 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 19 6.062 14.218 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.870 13.642 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.955 12.247 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.146 13.737 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.057 15.133 -4.555 1.00 0.00 H new ATOM 279 N GLN A 20 4.632 11.319 -2.867 1.00 0.00 N ATOM 280 CA GLN A 20 3.365 10.685 -3.029 1.00 0.00 C ATOM 281 C GLN A 20 2.463 10.899 -1.842 1.00 0.00 C ATOM 282 O GLN A 20 1.267 11.120 -2.005 1.00 0.00 O ATOM 283 CB GLN A 20 3.544 9.225 -3.310 1.00 0.00 C ATOM 284 CG GLN A 20 4.080 8.888 -4.702 1.00 0.00 C ATOM 285 CD GLN A 20 3.127 9.269 -5.840 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.354 10.222 -5.755 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.181 8.516 -6.908 1.00 0.00 N ATOM 0 H GLN A 20 5.426 10.678 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 20 2.875 11.150 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.224 8.810 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.584 8.726 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.030 9.401 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.284 7.818 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.833 7.733 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.571 8.712 -7.702 1.00 0.00 H new ATOM 296 N LEU A 21 3.017 10.862 -0.643 1.00 0.00 N ATOM 297 CA LEU A 21 2.246 11.076 0.511 1.00 0.00 C ATOM 298 C LEU A 21 1.811 12.510 0.619 1.00 0.00 C ATOM 299 O LEU A 21 0.664 12.784 0.942 1.00 0.00 O ATOM 300 CB LEU A 21 3.012 10.674 1.719 1.00 0.00 C ATOM 301 CG LEU A 21 3.298 9.191 1.928 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.059 9.001 3.223 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.007 8.376 1.946 1.00 0.00 C ATOM 0 H LEU A 21 4.006 10.683 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 21 1.349 10.461 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.968 11.198 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.470 11.035 2.593 1.00 0.00 H new ATOM 0 HG LEU A 21 3.903 8.833 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.264 7.941 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.000 9.549 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.462 9.376 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.244 7.323 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.368 8.724 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.486 8.499 0.996 1.00 0.00 H new ATOM 315 N GLN A 22 2.724 13.418 0.345 1.00 0.00 N ATOM 316 CA GLN A 22 2.422 14.832 0.376 1.00 0.00 C ATOM 317 C GLN A 22 1.313 15.139 -0.632 1.00 0.00 C ATOM 318 O GLN A 22 0.357 15.857 -0.329 1.00 0.00 O ATOM 319 CB GLN A 22 3.674 15.650 0.048 1.00 0.00 C ATOM 320 CG GLN A 22 3.482 17.150 0.176 1.00 0.00 C ATOM 321 CD GLN A 22 4.720 17.933 -0.202 1.00 0.00 C ATOM 322 OE1 GLN A 22 5.581 18.206 0.639 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.807 18.328 -1.446 1.00 0.00 N ATOM 0 H GLN A 22 3.689 13.199 0.097 1.00 0.00 H new ATOM 0 HA GLN A 22 2.085 15.103 1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.482 15.340 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.990 15.420 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.653 17.461 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.205 17.390 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.074 18.082 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.607 18.882 -1.750 1.00 0.00 H new ATOM 332 N LYS A 23 1.442 14.551 -1.811 1.00 0.00 N ATOM 333 CA LYS A 23 0.487 14.714 -2.882 1.00 0.00 C ATOM 334 C LYS A 23 -0.874 14.136 -2.493 1.00 0.00 C ATOM 335 O LYS A 23 -1.907 14.779 -2.711 1.00 0.00 O ATOM 336 CB LYS A 23 1.013 14.044 -4.159 1.00 0.00 C ATOM 337 CG LYS A 23 0.112 14.196 -5.374 1.00 0.00 C ATOM 338 CD LYS A 23 0.723 13.534 -6.598 1.00 0.00 C ATOM 339 CE LYS A 23 -0.144 13.734 -7.832 1.00 0.00 C ATOM 340 NZ LYS A 23 -1.483 13.114 -7.695 1.00 0.00 N ATOM 0 H LYS A 23 2.224 13.941 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 23 0.356 15.780 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.992 14.461 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.158 12.982 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.862 13.753 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.056 15.254 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.715 13.947 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.850 12.468 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.260 14.801 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.362 13.310 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.975 13.145 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.378 12.125 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.037 13.637 -6.986 1.00 0.00 H new ATOM 354 N ALA A 24 -0.876 12.936 -1.897 1.00 0.00 N ATOM 355 CA ALA A 24 -2.121 12.291 -1.513 1.00 0.00 C ATOM 356 C ALA A 24 -2.788 13.044 -0.378 1.00 0.00 C ATOM 357 O ALA A 24 -3.999 13.220 -0.370 1.00 0.00 O ATOM 358 CB ALA A 24 -1.883 10.838 -1.124 1.00 0.00 C ATOM 0 H ALA A 24 -0.035 12.404 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.788 12.307 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.829 10.377 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.457 10.300 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.192 10.795 -0.282 1.00 0.00 H new ATOM 364 N ASN A 25 -1.978 13.512 0.550 1.00 0.00 N ATOM 365 CA ASN A 25 -2.445 14.252 1.723 1.00 0.00 C ATOM 366 C ASN A 25 -3.128 15.523 1.288 1.00 0.00 C ATOM 367 O ASN A 25 -4.264 15.816 1.667 1.00 0.00 O ATOM 368 CB ASN A 25 -1.244 14.628 2.585 1.00 0.00 C ATOM 369 CG ASN A 25 -1.630 15.207 3.935 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.815 14.469 4.908 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.716 16.515 4.022 1.00 0.00 N ATOM 0 H ASN A 25 -0.966 13.392 0.518 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.142 13.629 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.626 13.744 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.633 15.353 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.942 16.953 4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.557 17.093 3.197 1.00 0.00 H new ATOM 378 N GLU A 26 -2.415 16.268 0.494 1.00 0.00 N ATOM 379 CA GLU A 26 -2.873 17.543 -0.026 1.00 0.00 C ATOM 380 C GLU A 26 -4.110 17.404 -0.930 1.00 0.00 C ATOM 381 O GLU A 26 -5.066 18.182 -0.807 1.00 0.00 O ATOM 382 CB GLU A 26 -1.728 18.230 -0.774 1.00 0.00 C ATOM 383 CG GLU A 26 -2.088 19.550 -1.412 1.00 0.00 C ATOM 384 CD GLU A 26 -0.904 20.205 -2.057 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.560 19.842 -3.212 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.293 21.089 -1.424 1.00 0.00 O ATOM 0 H GLU A 26 -1.480 16.010 0.178 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.179 18.157 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.904 18.392 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.363 17.556 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.866 19.391 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.503 20.216 -0.656 1.00 0.00 H new ATOM 393 N SER A 27 -4.110 16.413 -1.798 1.00 0.00 N ATOM 394 CA SER A 27 -5.189 16.238 -2.745 1.00 0.00 C ATOM 395 C SER A 27 -6.359 15.432 -2.162 1.00 0.00 C ATOM 396 O SER A 27 -7.354 15.206 -2.850 1.00 0.00 O ATOM 397 CB SER A 27 -4.653 15.566 -3.996 1.00 0.00 C ATOM 398 OG SER A 27 -3.568 16.313 -4.542 1.00 0.00 O ATOM 0 H SER A 27 -3.370 15.714 -1.866 1.00 0.00 H new ATOM 0 HA SER A 27 -5.582 17.225 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.322 14.555 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.448 15.476 -4.736 1.00 0.00 H new ATOM 0 HG SER A 27 -2.734 16.048 -4.101 1.00 0.00 H new ATOM 404 N LYS A 28 -6.234 15.017 -0.892 1.00 0.00 N ATOM 405 CA LYS A 28 -7.265 14.216 -0.203 1.00 0.00 C ATOM 406 C LYS A 28 -7.469 12.863 -0.849 1.00 0.00 C ATOM 407 O LYS A 28 -8.514 12.224 -0.677 1.00 0.00 O ATOM 408 CB LYS A 28 -8.585 14.953 -0.120 1.00 0.00 C ATOM 409 CG LYS A 28 -8.578 16.130 0.812 1.00 0.00 C ATOM 410 CD LYS A 28 -9.943 16.776 0.867 1.00 0.00 C ATOM 411 CE LYS A 28 -10.012 17.796 1.976 1.00 0.00 C ATOM 412 NZ LYS A 28 -9.754 17.165 3.295 1.00 0.00 N ATOM 0 H LYS A 28 -5.420 15.225 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.893 14.053 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.860 15.296 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.358 14.255 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.282 15.808 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.838 16.859 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.162 17.255 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.705 16.012 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.281 18.584 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.994 18.268 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.373 17.594 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.948 16.145 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.760 17.314 3.562 1.00 0.00 H new ATOM 426 N THR A 29 -6.464 12.400 -1.521 1.00 0.00 N ATOM 427 CA THR A 29 -6.532 11.149 -2.183 1.00 0.00 C ATOM 428 C THR A 29 -6.275 10.048 -1.164 1.00 0.00 C ATOM 429 O THR A 29 -5.476 10.209 -0.225 1.00 0.00 O ATOM 430 CB THR A 29 -5.488 11.070 -3.286 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.530 12.289 -4.053 1.00 0.00 O ATOM 432 CG2 THR A 29 -5.780 9.898 -4.225 1.00 0.00 C ATOM 0 H THR A 29 -5.573 12.885 -1.623 1.00 0.00 H new ATOM 0 HA THR A 29 -7.518 11.032 -2.632 1.00 0.00 H new ATOM 0 HB THR A 29 -4.508 10.927 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.859 12.250 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.021 9.860 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.765 8.966 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.762 10.031 -4.679 1.00 0.00 H new ATOM 440 N LEU A 30 -6.949 8.973 -1.323 1.00 0.00 N ATOM 441 CA LEU A 30 -6.826 7.865 -0.427 1.00 0.00 C ATOM 442 C LEU A 30 -5.605 7.059 -0.883 1.00 0.00 C ATOM 443 O LEU A 30 -5.477 6.725 -2.072 1.00 0.00 O ATOM 444 CB LEU A 30 -8.151 7.037 -0.425 1.00 0.00 C ATOM 445 CG LEU A 30 -8.311 5.841 0.560 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.754 5.383 0.568 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.442 4.657 0.168 1.00 0.00 C ATOM 0 H LEU A 30 -7.612 8.826 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.672 8.180 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.969 7.731 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.295 6.650 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.001 6.190 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.866 4.546 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.395 6.205 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.041 5.068 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.586 3.847 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.721 4.315 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.395 4.959 0.168 1.00 0.00 H new ATOM 459 N VAL A 31 -4.732 6.755 0.040 1.00 0.00 N ATOM 460 CA VAL A 31 -3.475 6.133 -0.279 1.00 0.00 C ATOM 461 C VAL A 31 -3.298 4.808 0.474 1.00 0.00 C ATOM 462 O VAL A 31 -3.629 4.703 1.661 1.00 0.00 O ATOM 463 CB VAL A 31 -2.292 7.123 0.021 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.285 7.577 1.475 1.00 0.00 C ATOM 465 CG2 VAL A 31 -0.952 6.529 -0.356 1.00 0.00 C ATOM 0 H VAL A 31 -4.872 6.932 1.035 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.468 5.899 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.458 8.001 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.451 8.260 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.222 8.087 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.177 6.710 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.161 7.245 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.786 5.615 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.943 6.299 -1.421 1.00 0.00 H new ATOM 475 N VAL A 32 -2.817 3.805 -0.222 1.00 0.00 N ATOM 476 CA VAL A 32 -2.571 2.516 0.369 1.00 0.00 C ATOM 477 C VAL A 32 -1.134 2.083 0.077 1.00 0.00 C ATOM 478 O VAL A 32 -0.658 2.188 -1.055 1.00 0.00 O ATOM 479 CB VAL A 32 -3.588 1.453 -0.136 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.482 1.230 -1.607 1.00 0.00 C ATOM 481 CG2 VAL A 32 -3.492 0.154 0.639 1.00 0.00 C ATOM 0 H VAL A 32 -2.586 3.862 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.705 2.599 1.448 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.581 1.860 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.211 0.480 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.679 2.165 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.478 0.882 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.221 -0.557 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.489 -0.260 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.696 0.343 1.693 1.00 0.00 H new ATOM 491 N VAL A 33 -0.444 1.634 1.087 1.00 0.00 N ATOM 492 CA VAL A 33 0.947 1.273 0.942 1.00 0.00 C ATOM 493 C VAL A 33 1.196 -0.188 1.291 1.00 0.00 C ATOM 494 O VAL A 33 0.733 -0.675 2.324 1.00 0.00 O ATOM 495 CB VAL A 33 1.851 2.158 1.839 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.313 1.779 1.670 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.639 3.637 1.536 1.00 0.00 C ATOM 0 H VAL A 33 -0.820 1.507 2.027 1.00 0.00 H new ATOM 0 HA VAL A 33 1.197 1.433 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 33 1.570 1.983 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.929 2.412 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.453 0.735 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.607 1.917 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.284 4.236 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.883 3.833 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.598 3.901 1.721 1.00 0.00 H new ATOM 507 N ASP A 34 1.898 -0.864 0.412 1.00 0.00 N ATOM 508 CA ASP A 34 2.370 -2.223 0.621 1.00 0.00 C ATOM 509 C ASP A 34 3.861 -2.206 0.916 1.00 0.00 C ATOM 510 O ASP A 34 4.668 -1.831 0.059 1.00 0.00 O ATOM 511 CB ASP A 34 2.090 -3.087 -0.620 1.00 0.00 C ATOM 512 CG ASP A 34 2.810 -4.434 -0.604 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.495 -5.274 0.238 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.689 -4.651 -1.484 1.00 0.00 O ATOM 0 H ASP A 34 2.166 -0.479 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 34 1.838 -2.654 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.017 -3.259 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.389 -2.535 -1.511 1.00 0.00 H new ATOM 519 N PHE A 35 4.225 -2.537 2.133 1.00 0.00 N ATOM 520 CA PHE A 35 5.603 -2.632 2.503 1.00 0.00 C ATOM 521 C PHE A 35 6.058 -4.056 2.289 1.00 0.00 C ATOM 522 O PHE A 35 5.567 -4.974 2.957 1.00 0.00 O ATOM 523 CB PHE A 35 5.788 -2.260 3.972 1.00 0.00 C ATOM 524 CG PHE A 35 5.475 -0.828 4.323 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.441 0.156 4.181 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.225 -0.471 4.806 1.00 0.00 C ATOM 527 CE1 PHE A 35 6.167 1.468 4.513 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.946 0.841 5.142 1.00 0.00 C ATOM 529 CZ PHE A 35 4.918 1.811 4.995 1.00 0.00 C ATOM 0 H PHE A 35 3.570 -2.746 2.887 1.00 0.00 H new ATOM 0 HA PHE A 35 6.190 -1.945 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.155 -2.910 4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.820 -2.468 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.419 -0.107 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.461 -1.226 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.928 2.225 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.969 1.107 5.519 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.702 2.836 5.256 1.00 0.00 H new ATOM 539 N THR A 36 7.002 -4.239 1.406 1.00 0.00 N ATOM 540 CA THR A 36 7.438 -5.559 1.051 1.00 0.00 C ATOM 541 C THR A 36 8.936 -5.564 0.731 1.00 0.00 C ATOM 542 O THR A 36 9.563 -4.504 0.632 1.00 0.00 O ATOM 543 CB THR A 36 6.632 -6.056 -0.183 1.00 0.00 C ATOM 544 OG1 THR A 36 7.011 -7.391 -0.546 1.00 0.00 O ATOM 545 CG2 THR A 36 6.862 -5.138 -1.369 1.00 0.00 C ATOM 0 H THR A 36 7.485 -3.485 0.918 1.00 0.00 H new ATOM 0 HA THR A 36 7.264 -6.227 1.895 1.00 0.00 H new ATOM 0 HB THR A 36 5.577 -6.049 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.488 -7.680 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.291 -5.499 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.537 -4.129 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.923 -5.126 -1.619 1.00 0.00 H new ATOM 553 N ALA A 37 9.490 -6.747 0.589 1.00 0.00 N ATOM 554 CA ALA A 37 10.870 -6.934 0.238 1.00 0.00 C ATOM 555 C ALA A 37 10.963 -8.016 -0.817 1.00 0.00 C ATOM 556 O ALA A 37 10.197 -8.989 -0.786 1.00 0.00 O ATOM 557 CB ALA A 37 11.698 -7.308 1.453 1.00 0.00 C ATOM 0 H ALA A 37 8.979 -7.620 0.718 1.00 0.00 H new ATOM 0 HA ALA A 37 11.268 -5.998 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.738 -7.443 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.633 -6.514 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.319 -8.236 1.880 1.00 0.00 H new ATOM 563 N SER A 38 11.904 -7.861 -1.717 1.00 0.00 N ATOM 564 CA SER A 38 12.121 -8.772 -2.830 1.00 0.00 C ATOM 565 C SER A 38 12.463 -10.182 -2.331 1.00 0.00 C ATOM 566 O SER A 38 12.134 -11.177 -2.975 1.00 0.00 O ATOM 567 CB SER A 38 13.262 -8.214 -3.715 1.00 0.00 C ATOM 568 OG SER A 38 13.525 -9.018 -4.861 1.00 0.00 O ATOM 0 H SER A 38 12.560 -7.080 -1.701 1.00 0.00 H new ATOM 0 HA SER A 38 11.205 -8.849 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.003 -7.206 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.171 -8.134 -3.118 1.00 0.00 H new ATOM 0 HG SER A 38 14.252 -8.617 -5.382 1.00 0.00 H new ATOM 574 N TRP A 39 13.094 -10.257 -1.176 1.00 0.00 N ATOM 575 CA TRP A 39 13.518 -11.527 -0.613 1.00 0.00 C ATOM 576 C TRP A 39 12.452 -12.157 0.289 1.00 0.00 C ATOM 577 O TRP A 39 12.709 -13.174 0.948 1.00 0.00 O ATOM 578 CB TRP A 39 14.861 -11.365 0.131 1.00 0.00 C ATOM 579 CG TRP A 39 14.880 -10.321 1.207 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.255 -9.039 1.057 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.531 -10.478 2.596 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.160 -8.367 2.244 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.718 -9.229 3.207 1.00 0.00 C ATOM 584 CE3 TRP A 39 14.073 -11.548 3.375 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.471 -9.016 4.560 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.830 -11.336 4.714 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.028 -10.080 5.295 1.00 0.00 C ATOM 0 H TRP A 39 13.327 -9.446 -0.603 1.00 0.00 H new ATOM 0 HA TRP A 39 13.661 -12.218 -1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.129 -12.324 0.574 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.634 -11.124 -0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.586 -8.600 0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.383 -7.382 2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.913 -12.521 2.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.624 -8.047 5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.480 -12.154 5.326 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.827 -9.947 6.348 1.00 0.00 H new ATOM 598 N CYS A 40 11.266 -11.582 0.304 1.00 0.00 N ATOM 599 CA CYS A 40 10.192 -12.095 1.127 1.00 0.00 C ATOM 600 C CYS A 40 9.243 -12.952 0.294 1.00 0.00 C ATOM 601 O CYS A 40 8.662 -12.478 -0.679 1.00 0.00 O ATOM 602 CB CYS A 40 9.426 -10.940 1.783 1.00 0.00 C ATOM 603 SG CYS A 40 8.001 -11.460 2.807 1.00 0.00 S ATOM 0 H CYS A 40 11.023 -10.758 -0.246 1.00 0.00 H new ATOM 0 HA CYS A 40 10.624 -12.718 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.116 -10.370 2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.070 -10.267 1.003 1.00 0.00 H new ATOM 608 N GLY A 41 9.073 -14.199 0.708 1.00 0.00 N ATOM 609 CA GLY A 41 8.212 -15.147 0.010 1.00 0.00 C ATOM 610 C GLY A 41 6.734 -14.789 0.092 1.00 0.00 C ATOM 611 O GLY A 41 6.111 -14.541 -0.937 1.00 0.00 O ATOM 0 H GLY A 41 9.527 -14.584 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.510 -15.195 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.362 -16.142 0.430 1.00 0.00 H new ATOM 615 N PRO A 42 6.134 -14.756 1.317 1.00 0.00 N ATOM 616 CA PRO A 42 4.713 -14.395 1.509 1.00 0.00 C ATOM 617 C PRO A 42 4.361 -13.081 0.826 1.00 0.00 C ATOM 618 O PRO A 42 3.297 -12.933 0.238 1.00 0.00 O ATOM 619 CB PRO A 42 4.608 -14.222 3.023 1.00 0.00 C ATOM 620 CG PRO A 42 5.629 -15.139 3.571 1.00 0.00 C ATOM 621 CD PRO A 42 6.777 -15.108 2.604 1.00 0.00 C ATOM 0 HA PRO A 42 4.039 -15.141 1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.801 -13.191 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.611 -14.476 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.947 -14.820 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.232 -16.149 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.526 -14.371 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.283 -16.072 2.550 1.00 0.00 H new ATOM 629 N CYS A 43 5.281 -12.150 0.894 1.00 0.00 N ATOM 630 CA CYS A 43 5.116 -10.828 0.321 1.00 0.00 C ATOM 631 C CYS A 43 5.055 -10.921 -1.212 1.00 0.00 C ATOM 632 O CYS A 43 4.218 -10.300 -1.856 1.00 0.00 O ATOM 633 CB CYS A 43 6.301 -9.980 0.737 1.00 0.00 C ATOM 634 SG CYS A 43 6.631 -9.983 2.534 1.00 0.00 S ATOM 0 H CYS A 43 6.180 -12.287 1.355 1.00 0.00 H new ATOM 0 HA CYS A 43 4.188 -10.381 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.189 -10.336 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.131 -8.954 0.412 1.00 0.00 H new ATOM 639 N ARG A 44 5.931 -11.734 -1.770 1.00 0.00 N ATOM 640 CA ARG A 44 6.011 -11.955 -3.205 1.00 0.00 C ATOM 641 C ARG A 44 4.749 -12.680 -3.695 1.00 0.00 C ATOM 642 O ARG A 44 4.270 -12.453 -4.812 1.00 0.00 O ATOM 643 CB ARG A 44 7.267 -12.784 -3.485 1.00 0.00 C ATOM 644 CG ARG A 44 7.512 -13.162 -4.922 1.00 0.00 C ATOM 645 CD ARG A 44 8.792 -13.967 -5.029 1.00 0.00 C ATOM 646 NE ARG A 44 9.033 -14.442 -6.384 1.00 0.00 N ATOM 647 CZ ARG A 44 10.153 -15.014 -6.810 1.00 0.00 C ATOM 648 NH1 ARG A 44 11.191 -15.169 -5.983 1.00 0.00 N ATOM 649 NH2 ARG A 44 10.232 -15.440 -8.064 1.00 0.00 N ATOM 0 H ARG A 44 6.616 -12.267 -1.235 1.00 0.00 H new ATOM 0 HA ARG A 44 6.073 -11.007 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.132 -12.226 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.211 -13.699 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.673 -13.744 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.583 -12.265 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.633 -13.353 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.741 -14.819 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 44 8.280 -14.326 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.126 -14.847 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.048 -15.609 -6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.436 -15.327 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.088 -15.881 -8.400 1.00 0.00 H new ATOM 663 N PHE A 45 4.214 -13.520 -2.832 1.00 0.00 N ATOM 664 CA PHE A 45 3.019 -14.300 -3.110 1.00 0.00 C ATOM 665 C PHE A 45 1.729 -13.464 -3.003 1.00 0.00 C ATOM 666 O PHE A 45 0.761 -13.698 -3.737 1.00 0.00 O ATOM 667 CB PHE A 45 2.964 -15.511 -2.159 1.00 0.00 C ATOM 668 CG PHE A 45 1.716 -16.338 -2.276 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.542 -17.207 -3.334 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.715 -16.239 -1.321 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.398 -17.964 -3.440 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.432 -16.996 -1.421 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.591 -17.856 -2.483 1.00 0.00 C ATOM 0 H PHE A 45 4.601 -13.684 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 45 3.079 -14.645 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.827 -16.148 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.054 -15.155 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.312 -17.294 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.836 -15.561 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.274 -18.642 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.203 -16.915 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.491 -18.447 -2.568 1.00 0.00 H new ATOM 683 N ILE A 46 1.713 -12.493 -2.111 1.00 0.00 N ATOM 684 CA ILE A 46 0.511 -11.689 -1.901 1.00 0.00 C ATOM 685 C ILE A 46 0.499 -10.501 -2.882 1.00 0.00 C ATOM 686 O ILE A 46 -0.541 -9.877 -3.134 1.00 0.00 O ATOM 687 CB ILE A 46 0.430 -11.172 -0.419 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.940 -10.578 -0.098 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.514 -10.155 -0.127 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.052 -11.586 -0.147 1.00 0.00 C ATOM 0 H ILE A 46 2.506 -12.238 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.361 -12.317 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 46 0.584 -12.040 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.910 -10.129 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.155 -9.776 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.429 -9.819 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.492 -10.611 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.403 -9.302 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.997 -11.097 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.108 -12.018 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.859 -12.376 0.579 1.00 0.00 H new ATOM 702 N ALA A 47 1.662 -10.235 -3.454 1.00 0.00 N ATOM 703 CA ALA A 47 1.867 -9.147 -4.393 1.00 0.00 C ATOM 704 C ALA A 47 0.854 -9.136 -5.582 1.00 0.00 C ATOM 705 O ALA A 47 0.238 -8.093 -5.840 1.00 0.00 O ATOM 706 CB ALA A 47 3.310 -9.129 -4.880 1.00 0.00 C ATOM 0 H ALA A 47 2.505 -10.780 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 47 1.668 -8.226 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.446 -8.307 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.979 -8.994 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.539 -10.072 -5.376 1.00 0.00 H new ATOM 712 N PRO A 48 0.644 -10.276 -6.325 1.00 0.00 N ATOM 713 CA PRO A 48 -0.319 -10.312 -7.443 1.00 0.00 C ATOM 714 C PRO A 48 -1.749 -10.014 -6.984 1.00 0.00 C ATOM 715 O PRO A 48 -2.544 -9.444 -7.726 1.00 0.00 O ATOM 716 CB PRO A 48 -0.224 -11.752 -7.967 1.00 0.00 C ATOM 717 CG PRO A 48 0.399 -12.526 -6.861 1.00 0.00 C ATOM 718 CD PRO A 48 1.330 -11.580 -6.176 1.00 0.00 C ATOM 0 HA PRO A 48 -0.088 -9.557 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.209 -12.146 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.380 -11.803 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.357 -12.899 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.936 -13.394 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.475 -11.843 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.315 -11.574 -6.642 1.00 0.00 H new ATOM 726 N PHE A 49 -2.049 -10.370 -5.753 1.00 0.00 N ATOM 727 CA PHE A 49 -3.374 -10.163 -5.194 1.00 0.00 C ATOM 728 C PHE A 49 -3.592 -8.661 -4.935 1.00 0.00 C ATOM 729 O PHE A 49 -4.671 -8.125 -5.191 1.00 0.00 O ATOM 730 CB PHE A 49 -3.532 -10.983 -3.900 1.00 0.00 C ATOM 731 CG PHE A 49 -4.924 -10.991 -3.323 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.844 -11.941 -3.735 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.309 -10.063 -2.369 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.119 -11.968 -3.211 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.585 -10.086 -1.839 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.489 -11.041 -2.263 1.00 0.00 C ATOM 0 H PHE A 49 -1.388 -10.809 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.131 -10.504 -5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.230 -12.011 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.845 -10.589 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.558 -12.671 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.605 -9.314 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.825 -12.714 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.875 -9.359 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.487 -11.060 -1.850 1.00 0.00 H new ATOM 746 N PHE A 50 -2.545 -7.998 -4.454 1.00 0.00 N ATOM 747 CA PHE A 50 -2.569 -6.551 -4.198 1.00 0.00 C ATOM 748 C PHE A 50 -2.593 -5.785 -5.527 1.00 0.00 C ATOM 749 O PHE A 50 -3.215 -4.729 -5.642 1.00 0.00 O ATOM 750 CB PHE A 50 -1.349 -6.156 -3.342 1.00 0.00 C ATOM 751 CG PHE A 50 -1.269 -4.698 -2.951 1.00 0.00 C ATOM 752 CD1 PHE A 50 -2.004 -4.214 -1.880 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.446 -3.820 -3.644 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.921 -2.885 -1.507 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.361 -2.491 -3.276 1.00 0.00 C ATOM 756 CZ PHE A 50 -1.099 -2.024 -2.206 1.00 0.00 C ATOM 0 H PHE A 50 -1.655 -8.442 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.471 -6.290 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.356 -6.757 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.444 -6.417 -3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.649 -4.883 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.134 -4.180 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.498 -2.521 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.282 -1.818 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.033 -0.986 -1.916 1.00 0.00 H new ATOM 766 N ALA A 51 -1.934 -6.336 -6.528 1.00 0.00 N ATOM 767 CA ALA A 51 -1.944 -5.745 -7.862 1.00 0.00 C ATOM 768 C ALA A 51 -3.342 -5.873 -8.472 1.00 0.00 C ATOM 769 O ALA A 51 -3.812 -4.991 -9.186 1.00 0.00 O ATOM 770 CB ALA A 51 -0.905 -6.415 -8.748 1.00 0.00 C ATOM 0 H ALA A 51 -1.384 -7.191 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.690 -4.688 -7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.926 -5.962 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.085 -6.285 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.128 -7.479 -8.830 1.00 0.00 H new ATOM 776 N ASP A 52 -4.004 -6.976 -8.155 1.00 0.00 N ATOM 777 CA ASP A 52 -5.376 -7.254 -8.609 1.00 0.00 C ATOM 778 C ASP A 52 -6.323 -6.281 -7.955 1.00 0.00 C ATOM 779 O ASP A 52 -7.333 -5.879 -8.521 1.00 0.00 O ATOM 780 CB ASP A 52 -5.748 -8.661 -8.212 1.00 0.00 C ATOM 781 CG ASP A 52 -7.081 -9.121 -8.768 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.181 -9.358 -9.997 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.040 -9.271 -7.976 1.00 0.00 O ATOM 0 H ASP A 52 -3.609 -7.714 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.438 -7.148 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.968 -9.343 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.776 -8.726 -7.124 1.00 0.00 H new ATOM 788 N LEU A 53 -5.987 -5.921 -6.756 1.00 0.00 N ATOM 789 CA LEU A 53 -6.684 -4.921 -6.019 1.00 0.00 C ATOM 790 C LEU A 53 -6.595 -3.558 -6.714 1.00 0.00 C ATOM 791 O LEU A 53 -7.608 -2.882 -6.882 1.00 0.00 O ATOM 792 CB LEU A 53 -6.146 -4.865 -4.601 1.00 0.00 C ATOM 793 CG LEU A 53 -6.467 -6.044 -3.701 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.894 -5.826 -2.307 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.968 -6.262 -3.629 1.00 0.00 C ATOM 0 H LEU A 53 -5.199 -6.327 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.741 -5.184 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.062 -4.762 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.530 -3.961 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.007 -6.936 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.135 -6.682 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.811 -5.716 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.325 -4.924 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.182 -7.111 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.447 -5.369 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.355 -6.463 -4.628 1.00 0.00 H new ATOM 807 N ALA A 54 -5.396 -3.179 -7.141 1.00 0.00 N ATOM 808 CA ALA A 54 -5.188 -1.913 -7.868 1.00 0.00 C ATOM 809 C ALA A 54 -5.940 -1.933 -9.192 1.00 0.00 C ATOM 810 O ALA A 54 -6.414 -0.921 -9.676 1.00 0.00 O ATOM 811 CB ALA A 54 -3.711 -1.687 -8.110 1.00 0.00 C ATOM 0 H ALA A 54 -4.546 -3.725 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.574 -1.095 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.570 -0.749 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.189 -1.640 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.309 -2.509 -8.703 1.00 0.00 H new ATOM 817 N LYS A 55 -6.019 -3.109 -9.747 1.00 0.00 N ATOM 818 CA LYS A 55 -6.729 -3.406 -10.981 1.00 0.00 C ATOM 819 C LYS A 55 -8.237 -3.183 -10.818 1.00 0.00 C ATOM 820 O LYS A 55 -8.935 -2.869 -11.784 1.00 0.00 O ATOM 821 CB LYS A 55 -6.440 -4.868 -11.287 1.00 0.00 C ATOM 822 CG LYS A 55 -7.233 -5.533 -12.383 1.00 0.00 C ATOM 823 CD LYS A 55 -6.970 -7.021 -12.304 1.00 0.00 C ATOM 824 CE LYS A 55 -7.805 -7.822 -13.263 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.599 -9.267 -13.043 1.00 0.00 N ATOM 0 H LYS A 55 -5.573 -3.932 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.402 -2.751 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.383 -4.953 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.595 -5.438 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.297 -5.326 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.939 -5.144 -13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.915 -7.208 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.165 -7.364 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.858 -7.574 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.542 -7.563 -14.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.428 -9.792 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.752 -9.579 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.472 -9.449 -12.027 1.00 0.00 H new ATOM 839 N LYS A 56 -8.733 -3.367 -9.619 1.00 0.00 N ATOM 840 CA LYS A 56 -10.151 -3.213 -9.362 1.00 0.00 C ATOM 841 C LYS A 56 -10.515 -1.838 -8.811 1.00 0.00 C ATOM 842 O LYS A 56 -11.615 -1.335 -9.071 1.00 0.00 O ATOM 843 CB LYS A 56 -10.674 -4.338 -8.471 1.00 0.00 C ATOM 844 CG LYS A 56 -10.594 -5.705 -9.135 1.00 0.00 C ATOM 845 CD LYS A 56 -11.126 -6.820 -8.246 1.00 0.00 C ATOM 846 CE LYS A 56 -10.280 -7.022 -6.997 1.00 0.00 C ATOM 847 NZ LYS A 56 -10.794 -8.133 -6.168 1.00 0.00 N ATOM 0 H LYS A 56 -8.178 -3.624 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.651 -3.287 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.102 -4.356 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.710 -4.130 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.161 -5.686 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.557 -5.917 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.151 -6.590 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.158 -7.750 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.249 -7.228 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.270 -6.103 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.195 -8.243 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.770 -7.924 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.780 -9.014 -6.721 1.00 0.00 H new ATOM 861 N LEU A 57 -9.622 -1.238 -8.052 1.00 0.00 N ATOM 862 CA LEU A 57 -9.863 0.064 -7.487 1.00 0.00 C ATOM 863 C LEU A 57 -8.991 1.117 -8.173 1.00 0.00 C ATOM 864 O LEU A 57 -7.832 1.285 -7.823 1.00 0.00 O ATOM 865 CB LEU A 57 -9.615 0.081 -5.960 1.00 0.00 C ATOM 866 CG LEU A 57 -10.561 -0.741 -5.037 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.430 -2.246 -5.245 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.325 -0.385 -3.578 1.00 0.00 C ATOM 0 H LEU A 57 -8.715 -1.640 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.913 0.304 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.598 -0.271 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.654 1.119 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.580 -0.471 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.114 -2.767 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.676 -2.493 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.407 -2.555 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.995 -0.970 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.291 -0.607 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.519 0.677 -3.427 1.00 0.00 H new ATOM 880 N PRO A 58 -9.534 1.832 -9.170 1.00 0.00 N ATOM 881 CA PRO A 58 -8.774 2.822 -9.925 1.00 0.00 C ATOM 882 C PRO A 58 -8.769 4.198 -9.259 1.00 0.00 C ATOM 883 O PRO A 58 -8.015 5.089 -9.656 1.00 0.00 O ATOM 884 CB PRO A 58 -9.533 2.882 -11.245 1.00 0.00 C ATOM 885 CG PRO A 58 -10.954 2.635 -10.866 1.00 0.00 C ATOM 886 CD PRO A 58 -10.926 1.719 -9.663 1.00 0.00 C ATOM 0 HA PRO A 58 -7.722 2.552 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.413 3.851 -11.729 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.172 2.129 -11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.460 3.571 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.501 2.176 -11.690 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.646 2.030 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.173 0.693 -9.935 1.00 0.00 H new ATOM 894 N ASN A 59 -9.616 4.389 -8.261 1.00 0.00 N ATOM 895 CA ASN A 59 -9.694 5.682 -7.588 1.00 0.00 C ATOM 896 C ASN A 59 -8.721 5.708 -6.417 1.00 0.00 C ATOM 897 O ASN A 59 -8.274 6.768 -5.971 1.00 0.00 O ATOM 898 CB ASN A 59 -11.122 5.974 -7.115 1.00 0.00 C ATOM 899 CG ASN A 59 -11.302 7.394 -6.581 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.635 8.322 -7.020 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.199 7.570 -5.648 1.00 0.00 N ATOM 0 H ASN A 59 -10.253 3.678 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.418 6.462 -8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.812 5.815 -7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.392 5.263 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.360 8.501 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.739 6.776 -5.303 1.00 0.00 H new ATOM 908 N VAL A 60 -8.383 4.541 -5.936 1.00 0.00 N ATOM 909 CA VAL A 60 -7.435 4.403 -4.860 1.00 0.00 C ATOM 910 C VAL A 60 -6.049 4.281 -5.458 1.00 0.00 C ATOM 911 O VAL A 60 -5.856 3.550 -6.427 1.00 0.00 O ATOM 912 CB VAL A 60 -7.751 3.158 -3.980 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.699 2.968 -2.894 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.138 3.282 -3.360 1.00 0.00 C ATOM 0 H VAL A 60 -8.758 3.657 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.496 5.280 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.732 2.279 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.947 2.091 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.721 2.828 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.675 3.849 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.343 2.404 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.180 4.176 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.885 3.356 -4.151 1.00 0.00 H new ATOM 924 N LEU A 61 -5.104 5.004 -4.918 1.00 0.00 N ATOM 925 CA LEU A 61 -3.769 4.965 -5.441 1.00 0.00 C ATOM 926 C LEU A 61 -2.965 3.991 -4.569 1.00 0.00 C ATOM 927 O LEU A 61 -2.785 4.218 -3.363 1.00 0.00 O ATOM 928 CB LEU A 61 -3.168 6.400 -5.430 1.00 0.00 C ATOM 929 CG LEU A 61 -1.950 6.704 -6.353 1.00 0.00 C ATOM 930 CD1 LEU A 61 -0.732 5.868 -6.028 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.331 6.546 -7.818 1.00 0.00 C ATOM 0 H LEU A 61 -5.235 5.624 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.746 4.619 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.965 7.095 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.873 6.628 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.674 7.741 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.080 6.129 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.422 6.060 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.975 4.812 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.466 6.763 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.663 5.524 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.137 7.238 -8.061 1.00 0.00 H new ATOM 943 N PHE A 62 -2.524 2.908 -5.171 1.00 0.00 N ATOM 944 CA PHE A 62 -1.786 1.874 -4.463 1.00 0.00 C ATOM 945 C PHE A 62 -0.295 2.085 -4.630 1.00 0.00 C ATOM 946 O PHE A 62 0.174 2.490 -5.702 1.00 0.00 O ATOM 947 CB PHE A 62 -2.130 0.477 -5.007 1.00 0.00 C ATOM 948 CG PHE A 62 -3.576 0.042 -4.846 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.604 0.686 -5.516 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.899 -1.010 -4.004 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.914 0.290 -5.351 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.207 -1.408 -3.833 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.217 -0.757 -4.507 1.00 0.00 C ATOM 0 H PHE A 62 -2.664 2.716 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.066 1.938 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.878 0.448 -6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.493 -0.253 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.376 1.509 -6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.113 -1.526 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.703 0.800 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.440 -2.229 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.243 -1.066 -4.374 1.00 0.00 H new ATOM 963 N LEU A 63 0.437 1.811 -3.600 1.00 0.00 N ATOM 964 CA LEU A 63 1.871 1.924 -3.612 1.00 0.00 C ATOM 965 C LEU A 63 2.506 0.656 -3.123 1.00 0.00 C ATOM 966 O LEU A 63 1.960 -0.036 -2.271 1.00 0.00 O ATOM 967 CB LEU A 63 2.406 3.094 -2.763 1.00 0.00 C ATOM 968 CG LEU A 63 2.076 4.528 -3.199 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.630 4.875 -2.939 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.004 5.522 -2.524 1.00 0.00 C ATOM 0 H LEU A 63 0.055 1.496 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 63 2.137 2.117 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.034 2.963 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.491 3.003 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 63 2.233 4.588 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.438 5.898 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.013 4.192 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.420 4.785 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.752 6.532 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.891 5.449 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.036 5.300 -2.797 1.00 0.00 H new ATOM 982 N LYS A 64 3.651 0.378 -3.650 1.00 0.00 N ATOM 983 CA LYS A 64 4.421 -0.755 -3.293 1.00 0.00 C ATOM 984 C LYS A 64 5.796 -0.263 -2.950 1.00 0.00 C ATOM 985 O LYS A 64 6.493 0.291 -3.794 1.00 0.00 O ATOM 986 CB LYS A 64 4.486 -1.683 -4.459 1.00 0.00 C ATOM 987 CG LYS A 64 4.990 -2.990 -4.049 1.00 0.00 C ATOM 988 CD LYS A 64 4.970 -3.963 -5.152 1.00 0.00 C ATOM 989 CE LYS A 64 5.384 -5.263 -4.600 1.00 0.00 C ATOM 990 NZ LYS A 64 4.369 -5.845 -3.670 1.00 0.00 N ATOM 0 H LYS A 64 4.088 0.958 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 64 3.984 -1.286 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.495 -1.791 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.133 -1.263 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.009 -2.885 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.387 -3.367 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.972 -4.031 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.645 -3.653 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.563 -5.960 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.329 -5.144 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.654 -6.809 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.302 -5.255 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.443 -5.876 -4.142 1.00 0.00 H new ATOM 1004 N VAL A 65 6.180 -0.422 -1.732 1.00 0.00 N ATOM 1005 CA VAL A 65 7.421 0.125 -1.264 1.00 0.00 C ATOM 1006 C VAL A 65 8.365 -0.966 -0.832 1.00 0.00 C ATOM 1007 O VAL A 65 7.989 -1.862 -0.060 1.00 0.00 O ATOM 1008 CB VAL A 65 7.182 1.115 -0.089 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.491 1.700 0.420 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.239 2.229 -0.519 1.00 0.00 C ATOM 0 H VAL A 65 5.649 -0.933 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 65 7.875 0.668 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 65 6.724 0.558 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.287 2.388 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.137 0.895 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.988 2.237 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.081 2.914 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.675 2.772 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.284 1.800 -0.822 1.00 0.00 H new ATOM 1020 N ASP A 66 9.581 -0.905 -1.338 1.00 0.00 N ATOM 1021 CA ASP A 66 10.602 -1.844 -0.943 1.00 0.00 C ATOM 1022 C ASP A 66 11.121 -1.421 0.415 1.00 0.00 C ATOM 1023 O ASP A 66 11.922 -0.482 0.538 1.00 0.00 O ATOM 1024 CB ASP A 66 11.734 -1.889 -1.953 1.00 0.00 C ATOM 1025 CG ASP A 66 12.758 -2.975 -1.653 1.00 0.00 C ATOM 1026 OD1 ASP A 66 13.575 -2.811 -0.744 1.00 0.00 O ATOM 1027 OD2 ASP A 66 12.754 -4.016 -2.352 1.00 0.00 O ATOM 0 H ASP A 66 9.882 -0.213 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 66 10.178 -2.847 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.319 -2.053 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.235 -0.921 -1.972 1.00 0.00 H new ATOM 1032 N THR A 67 10.623 -2.069 1.430 1.00 0.00 N ATOM 1033 CA THR A 67 10.935 -1.738 2.795 1.00 0.00 C ATOM 1034 C THR A 67 12.361 -2.159 3.168 1.00 0.00 C ATOM 1035 O THR A 67 12.859 -1.812 4.247 1.00 0.00 O ATOM 1036 CB THR A 67 9.890 -2.329 3.789 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.161 -1.884 5.113 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.909 -3.844 3.771 1.00 0.00 C ATOM 0 H THR A 67 9.979 -2.854 1.333 1.00 0.00 H new ATOM 0 HA THR A 67 10.882 -0.652 2.878 1.00 0.00 H new ATOM 0 HB THR A 67 8.906 -1.982 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.122 -1.717 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.169 -4.226 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.673 -4.199 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.899 -4.199 4.057 1.00 0.00 H new ATOM 1046 N ASP A 68 12.997 -2.921 2.299 1.00 0.00 N ATOM 1047 CA ASP A 68 14.359 -3.355 2.530 1.00 0.00 C ATOM 1048 C ASP A 68 15.285 -2.194 2.264 1.00 0.00 C ATOM 1049 O ASP A 68 16.190 -1.916 3.044 1.00 0.00 O ATOM 1050 CB ASP A 68 14.702 -4.531 1.633 1.00 0.00 C ATOM 1051 CG ASP A 68 16.089 -5.082 1.881 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.262 -5.892 2.821 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.021 -4.744 1.123 1.00 0.00 O ATOM 0 H ASP A 68 12.590 -3.252 1.424 1.00 0.00 H new ATOM 0 HA ASP A 68 14.472 -3.684 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.970 -5.324 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.622 -4.221 0.591 1.00 0.00 H new ATOM 1058 N GLU A 69 15.043 -1.517 1.159 1.00 0.00 N ATOM 1059 CA GLU A 69 15.750 -0.329 0.809 1.00 0.00 C ATOM 1060 C GLU A 69 15.406 0.808 1.751 1.00 0.00 C ATOM 1061 O GLU A 69 16.284 1.375 2.403 1.00 0.00 O ATOM 1062 CB GLU A 69 15.424 0.069 -0.607 1.00 0.00 C ATOM 1063 CG GLU A 69 15.988 -0.849 -1.661 1.00 0.00 C ATOM 1064 CD GLU A 69 15.718 -0.365 -3.056 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.465 0.507 -3.548 1.00 0.00 O ATOM 1066 OE2 GLU A 69 14.777 -0.866 -3.701 1.00 0.00 O ATOM 0 H GLU A 69 14.336 -1.792 0.477 1.00 0.00 H new ATOM 0 HA GLU A 69 16.817 -0.535 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.341 0.108 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.799 1.077 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.064 -0.944 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.560 -1.844 -1.537 1.00 0.00 H new ATOM 1073 N LEU A 70 14.133 1.132 1.837 1.00 0.00 N ATOM 1074 CA LEU A 70 13.650 2.183 2.683 1.00 0.00 C ATOM 1075 C LEU A 70 13.516 1.708 4.142 1.00 0.00 C ATOM 1076 O LEU A 70 12.506 1.950 4.810 1.00 0.00 O ATOM 1077 CB LEU A 70 12.316 2.723 2.151 1.00 0.00 C ATOM 1078 CG LEU A 70 12.345 3.563 0.846 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.695 2.735 -0.376 1.00 0.00 C ATOM 1080 CD2 LEU A 70 11.033 4.306 0.645 1.00 0.00 C ATOM 0 H LEU A 70 13.399 0.660 1.309 1.00 0.00 H new ATOM 0 HA LEU A 70 14.378 2.994 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.652 1.874 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.866 3.334 2.933 1.00 0.00 H new ATOM 0 HG LEU A 70 13.142 4.297 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.700 3.374 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.681 2.290 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.955 1.945 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.081 4.886 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.215 3.589 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.862 4.976 1.487 1.00 0.00 H new ATOM 1092 N LYS A 71 14.566 1.087 4.632 1.00 0.00 N ATOM 1093 CA LYS A 71 14.608 0.535 5.972 1.00 0.00 C ATOM 1094 C LYS A 71 14.533 1.597 7.092 1.00 0.00 C ATOM 1095 O LYS A 71 14.021 1.316 8.179 1.00 0.00 O ATOM 1096 CB LYS A 71 15.789 -0.465 6.138 1.00 0.00 C ATOM 1097 CG LYS A 71 17.183 0.046 5.717 1.00 0.00 C ATOM 1098 CD LYS A 71 17.693 1.181 6.583 1.00 0.00 C ATOM 1099 CE LYS A 71 19.026 1.696 6.096 1.00 0.00 C ATOM 1100 NZ LYS A 71 19.497 2.828 6.910 1.00 0.00 N ATOM 0 H LYS A 71 15.428 0.948 4.105 1.00 0.00 H new ATOM 0 HA LYS A 71 13.690 -0.039 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.837 -0.767 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.563 -1.360 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.893 -0.780 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.142 0.380 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.967 1.994 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.789 0.838 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.762 0.892 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.939 2.007 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.257 3.327 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.708 3.483 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.860 2.475 7.819 1.00 0.00 H new ATOM 1114 N SER A 72 15.012 2.809 6.824 1.00 0.00 N ATOM 1115 CA SER A 72 14.957 3.863 7.819 1.00 0.00 C ATOM 1116 C SER A 72 13.525 4.365 7.941 1.00 0.00 C ATOM 1117 O SER A 72 13.077 4.791 9.014 1.00 0.00 O ATOM 1118 CB SER A 72 15.907 4.995 7.455 1.00 0.00 C ATOM 1119 OG SER A 72 17.247 4.522 7.330 1.00 0.00 O ATOM 0 H SER A 72 15.436 3.078 5.937 1.00 0.00 H new ATOM 0 HA SER A 72 15.275 3.467 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.591 5.452 6.517 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.862 5.771 8.219 1.00 0.00 H new ATOM 0 HG SER A 72 17.837 5.268 7.094 1.00 0.00 H new ATOM 1125 N VAL A 73 12.806 4.285 6.835 1.00 0.00 N ATOM 1126 CA VAL A 73 11.407 4.645 6.800 1.00 0.00 C ATOM 1127 C VAL A 73 10.617 3.579 7.558 1.00 0.00 C ATOM 1128 O VAL A 73 9.742 3.888 8.369 1.00 0.00 O ATOM 1129 CB VAL A 73 10.899 4.747 5.331 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.423 5.093 5.273 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.711 5.777 4.555 1.00 0.00 C ATOM 0 H VAL A 73 13.178 3.969 5.940 1.00 0.00 H new ATOM 0 HA VAL A 73 11.269 5.620 7.268 1.00 0.00 H new ATOM 0 HB VAL A 73 11.032 3.769 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.105 5.156 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.848 4.320 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.255 6.052 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.342 5.835 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.612 6.752 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.760 5.482 4.547 1.00 0.00 H new ATOM 1141 N ALA A 74 10.982 2.326 7.316 1.00 0.00 N ATOM 1142 CA ALA A 74 10.364 1.171 7.960 1.00 0.00 C ATOM 1143 C ALA A 74 10.417 1.285 9.479 1.00 0.00 C ATOM 1144 O ALA A 74 9.399 1.140 10.152 1.00 0.00 O ATOM 1145 CB ALA A 74 11.056 -0.102 7.518 1.00 0.00 C ATOM 0 H ALA A 74 11.723 2.079 6.660 1.00 0.00 H new ATOM 0 HA ALA A 74 9.317 1.142 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.588 -0.958 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.970 -0.206 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.109 -0.059 7.795 1.00 0.00 H new ATOM 1151 N SER A 75 11.598 1.564 10.008 1.00 0.00 N ATOM 1152 CA SER A 75 11.799 1.687 11.443 1.00 0.00 C ATOM 1153 C SER A 75 10.923 2.796 12.043 1.00 0.00 C ATOM 1154 O SER A 75 10.379 2.655 13.151 1.00 0.00 O ATOM 1155 CB SER A 75 13.272 1.972 11.722 1.00 0.00 C ATOM 1156 OG SER A 75 14.093 0.949 11.170 1.00 0.00 O ATOM 0 H SER A 75 12.443 1.711 9.456 1.00 0.00 H new ATOM 0 HA SER A 75 11.507 0.748 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.548 2.937 11.297 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.438 2.038 12.797 1.00 0.00 H new ATOM 0 HG SER A 75 14.151 1.065 10.199 1.00 0.00 H new ATOM 1162 N ASP A 76 10.750 3.870 11.295 1.00 0.00 N ATOM 1163 CA ASP A 76 9.994 5.011 11.782 1.00 0.00 C ATOM 1164 C ASP A 76 8.499 4.700 11.792 1.00 0.00 C ATOM 1165 O ASP A 76 7.776 5.079 12.714 1.00 0.00 O ATOM 1166 CB ASP A 76 10.284 6.242 10.926 1.00 0.00 C ATOM 1167 CG ASP A 76 9.674 7.503 11.492 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.286 8.110 12.402 1.00 0.00 O ATOM 1169 OD2 ASP A 76 8.605 7.924 11.034 1.00 0.00 O ATOM 0 H ASP A 76 11.121 3.977 10.351 1.00 0.00 H new ATOM 0 HA ASP A 76 10.303 5.222 12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.363 6.373 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.900 6.078 9.919 1.00 0.00 H new ATOM 1174 N TRP A 77 8.053 3.955 10.797 1.00 0.00 N ATOM 1175 CA TRP A 77 6.661 3.573 10.687 1.00 0.00 C ATOM 1176 C TRP A 77 6.354 2.254 11.408 1.00 0.00 C ATOM 1177 O TRP A 77 5.266 1.703 11.254 1.00 0.00 O ATOM 1178 CB TRP A 77 6.203 3.534 9.231 1.00 0.00 C ATOM 1179 CG TRP A 77 6.179 4.887 8.570 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.199 5.494 7.908 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.072 5.804 8.513 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.801 6.720 7.449 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.507 6.935 7.800 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.763 5.778 8.991 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.684 8.029 7.555 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.946 6.867 8.748 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.410 7.976 8.035 1.00 0.00 C ATOM 0 H TRP A 77 8.645 3.600 10.046 1.00 0.00 H new ATOM 0 HA TRP A 77 6.086 4.347 11.195 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.865 2.876 8.668 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.205 3.098 9.184 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.182 5.070 7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.385 7.371 6.925 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.394 4.924 9.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.041 8.887 7.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.931 6.860 9.116 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.745 8.809 7.861 1.00 0.00 H new ATOM 1198 N ALA A 78 7.326 1.762 12.195 1.00 0.00 N ATOM 1199 CA ALA A 78 7.177 0.547 13.033 1.00 0.00 C ATOM 1200 C ALA A 78 6.967 -0.712 12.187 1.00 0.00 C ATOM 1201 O ALA A 78 6.368 -1.704 12.643 1.00 0.00 O ATOM 1202 CB ALA A 78 6.036 0.727 14.044 1.00 0.00 C ATOM 0 H ALA A 78 8.246 2.195 12.272 1.00 0.00 H new ATOM 0 HA ALA A 78 8.109 0.411 13.581 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.941 -0.174 14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.253 1.578 14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.102 0.905 13.511 1.00 0.00 H new ATOM 1208 N ILE A 79 7.497 -0.693 10.987 1.00 0.00 N ATOM 1209 CA ILE A 79 7.384 -1.814 10.084 1.00 0.00 C ATOM 1210 C ILE A 79 8.515 -2.797 10.378 1.00 0.00 C ATOM 1211 O ILE A 79 9.663 -2.577 9.982 1.00 0.00 O ATOM 1212 CB ILE A 79 7.465 -1.370 8.592 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.420 -0.277 8.281 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.290 -2.568 7.651 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.982 -0.686 8.531 1.00 0.00 C ATOM 0 H ILE A 79 8.018 0.099 10.609 1.00 0.00 H new ATOM 0 HA ILE A 79 6.411 -2.280 10.240 1.00 0.00 H new ATOM 0 HB ILE A 79 8.456 -0.949 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.643 0.603 8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.523 0.019 7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.351 -2.230 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.077 -3.298 7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.318 -3.029 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.320 0.144 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.734 -1.545 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.857 -0.952 9.581 1.00 0.00 H new ATOM 1227 N GLN A 80 8.208 -3.831 11.122 1.00 0.00 N ATOM 1228 CA GLN A 80 9.185 -4.818 11.479 1.00 0.00 C ATOM 1229 C GLN A 80 8.857 -6.187 10.903 1.00 0.00 C ATOM 1230 O GLN A 80 9.695 -7.104 10.914 1.00 0.00 O ATOM 1231 CB GLN A 80 9.397 -4.837 13.010 1.00 0.00 C ATOM 1232 CG GLN A 80 8.131 -4.988 13.877 1.00 0.00 C ATOM 1233 CD GLN A 80 7.473 -6.359 13.814 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.136 -7.378 13.631 1.00 0.00 O ATOM 1235 NE2 GLN A 80 6.178 -6.390 13.959 1.00 0.00 N ATOM 0 H GLN A 80 7.275 -4.008 11.494 1.00 0.00 H new ATOM 0 HA GLN A 80 10.136 -4.538 11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.075 -5.656 13.251 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.899 -3.913 13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.390 -4.772 14.914 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.404 -4.237 13.567 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.661 -5.524 14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.682 -7.280 13.922 1.00 0.00 H new ATOM 1244 N ALA A 81 7.653 -6.322 10.393 1.00 0.00 N ATOM 1245 CA ALA A 81 7.206 -7.560 9.801 1.00 0.00 C ATOM 1246 C ALA A 81 6.675 -7.288 8.413 1.00 0.00 C ATOM 1247 O ALA A 81 6.117 -6.219 8.153 1.00 0.00 O ATOM 1248 CB ALA A 81 6.153 -8.219 10.666 1.00 0.00 C ATOM 0 H ALA A 81 6.958 -5.576 10.378 1.00 0.00 H new ATOM 0 HA ALA A 81 8.048 -8.248 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.831 -9.150 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.571 -8.431 11.650 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.298 -7.551 10.771 1.00 0.00 H new ATOM 1254 N MET A 82 6.859 -8.223 7.526 1.00 0.00 N ATOM 1255 CA MET A 82 6.456 -8.056 6.161 1.00 0.00 C ATOM 1256 C MET A 82 5.489 -9.153 5.761 1.00 0.00 C ATOM 1257 O MET A 82 5.594 -10.284 6.247 1.00 0.00 O ATOM 1258 CB MET A 82 7.678 -8.119 5.258 1.00 0.00 C ATOM 1259 CG MET A 82 8.716 -7.053 5.522 1.00 0.00 C ATOM 1260 SD MET A 82 10.169 -7.240 4.480 1.00 0.00 S ATOM 1261 CE MET A 82 10.739 -8.862 4.985 1.00 0.00 C ATOM 0 H MET A 82 7.293 -9.123 7.730 1.00 0.00 H new ATOM 0 HA MET A 82 5.965 -7.088 6.057 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.145 -9.097 5.370 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.351 -8.039 4.221 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.275 -6.070 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.016 -7.093 6.569 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.648 -9.115 4.439 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.948 -8.857 6.055 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.968 -9.602 4.769 1.00 0.00 H new ATOM 1271 N PRO A 83 4.526 -8.850 4.890 1.00 0.00 N ATOM 1272 CA PRO A 83 4.314 -7.510 4.356 1.00 0.00 C ATOM 1273 C PRO A 83 3.345 -6.719 5.228 1.00 0.00 C ATOM 1274 O PRO A 83 2.546 -7.299 5.972 1.00 0.00 O ATOM 1275 CB PRO A 83 3.682 -7.791 2.994 1.00 0.00 C ATOM 1276 CG PRO A 83 2.918 -9.060 3.183 1.00 0.00 C ATOM 1277 CD PRO A 83 3.572 -9.808 4.324 1.00 0.00 C ATOM 0 HA PRO A 83 5.229 -6.919 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.026 -6.976 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.442 -7.898 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.873 -8.850 3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.933 -9.658 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.838 -10.122 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.075 -10.709 3.972 1.00 0.00 H new ATOM 1285 N THR A 84 3.440 -5.434 5.194 1.00 0.00 N ATOM 1286 CA THR A 84 2.506 -4.635 5.909 1.00 0.00 C ATOM 1287 C THR A 84 1.715 -3.798 4.927 1.00 0.00 C ATOM 1288 O THR A 84 2.294 -3.081 4.111 1.00 0.00 O ATOM 1289 CB THR A 84 3.183 -3.732 6.944 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.950 -4.526 7.879 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.159 -2.899 7.714 1.00 0.00 C ATOM 0 H THR A 84 4.153 -4.916 4.680 1.00 0.00 H new ATOM 0 HA THR A 84 1.842 -5.304 6.457 1.00 0.00 H new ATOM 0 HB THR A 84 3.846 -3.056 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.665 -4.995 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.674 -2.270 8.440 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.604 -2.270 7.018 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.468 -3.562 8.234 1.00 0.00 H new ATOM 1299 N PHE A 85 0.417 -3.896 5.006 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.450 -3.157 4.175 1.00 0.00 C ATOM 1301 C PHE A 85 -1.024 -2.059 5.008 1.00 0.00 C ATOM 1302 O PHE A 85 -1.643 -2.317 6.032 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.581 -4.053 3.694 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.143 -5.239 2.892 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.946 -5.129 1.531 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.935 -6.467 3.502 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.552 -6.219 0.789 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.539 -7.558 2.766 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.346 -7.432 1.408 1.00 0.00 C ATOM 0 H PHE A 85 -0.062 -4.507 5.667 1.00 0.00 H new ATOM 0 HA PHE A 85 0.084 -2.764 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.141 -4.405 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.267 -3.457 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.102 -4.178 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.086 -6.567 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.405 -6.123 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.380 -8.510 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.032 -8.287 0.827 1.00 0.00 H new ATOM 1319 N MET A 86 -0.812 -0.865 4.605 1.00 0.00 N ATOM 1320 CA MET A 86 -1.281 0.257 5.352 1.00 0.00 C ATOM 1321 C MET A 86 -2.268 1.035 4.531 1.00 0.00 C ATOM 1322 O MET A 86 -1.963 1.488 3.428 1.00 0.00 O ATOM 1323 CB MET A 86 -0.095 1.111 5.772 1.00 0.00 C ATOM 1324 CG MET A 86 -0.421 2.332 6.605 1.00 0.00 C ATOM 1325 SD MET A 86 1.069 3.231 7.047 1.00 0.00 S ATOM 1326 CE MET A 86 0.370 4.539 8.006 1.00 0.00 C ATOM 0 H MET A 86 -0.310 -0.628 3.750 1.00 0.00 H new ATOM 0 HA MET A 86 -1.794 -0.077 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.597 0.485 6.335 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.429 1.437 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.093 2.986 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.948 2.029 7.510 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.702 5.498 7.610 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.718 4.484 7.959 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.693 4.443 9.042 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.434 1.172 5.066 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.519 1.815 4.443 1.00 0.00 C ATOM 1338 C PHE A 87 -4.755 3.159 5.092 1.00 0.00 C ATOM 1339 O PHE A 87 -5.034 3.245 6.307 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.758 0.953 4.628 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.717 -0.401 3.958 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.110 -1.482 4.579 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.296 -0.588 2.714 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.080 -2.721 3.969 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.269 -1.825 2.100 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.660 -2.893 2.729 1.00 0.00 C ATOM 0 H PHE A 87 -3.657 0.818 5.996 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.306 1.958 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.920 0.805 5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.620 1.501 4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.656 -1.354 5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.774 0.243 2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.603 -3.555 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.724 -1.957 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.638 -3.861 2.251 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.631 4.200 4.333 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.883 5.508 4.846 1.00 0.00 C ATOM 1358 C LEU A 88 -5.940 6.152 3.961 1.00 0.00 C ATOM 1359 O LEU A 88 -6.183 5.689 2.864 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.625 6.430 4.803 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.298 5.955 5.428 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.620 4.901 4.567 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.370 7.138 5.656 1.00 0.00 C ATOM 0 H LEU A 88 -4.356 4.169 3.351 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.192 5.403 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.426 6.658 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.894 7.368 5.288 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.527 5.495 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.688 4.590 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.278 4.039 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.407 5.317 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.437 6.789 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.161 7.625 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.846 7.850 6.330 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.540 7.206 4.418 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.463 7.956 3.599 1.00 0.00 C ATOM 1377 C LYS A 89 -7.129 9.402 3.736 1.00 0.00 C ATOM 1378 O LYS A 89 -7.052 9.916 4.839 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.923 7.689 3.958 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.929 8.421 3.068 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.364 8.106 3.461 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.376 8.848 2.578 1.00 0.00 C ATOM 1383 NZ LYS A 89 -12.294 8.454 1.151 1.00 0.00 N ATOM 0 H LYS A 89 -6.411 7.575 5.360 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.355 7.636 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.111 6.617 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.091 7.982 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.761 9.496 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.767 8.139 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.534 7.032 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.523 8.380 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.383 8.653 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.207 9.921 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.074 8.895 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.386 8.771 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.364 7.419 1.072 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.859 10.029 2.607 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.442 11.436 2.504 1.00 0.00 C ATOM 1399 C GLU A 90 -5.054 11.636 3.124 1.00 0.00 C ATOM 1400 O GLU A 90 -4.614 12.760 3.328 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.402 12.400 3.194 1.00 0.00 C ATOM 1402 CG GLU A 90 -8.845 12.373 2.760 1.00 0.00 C ATOM 1403 CD GLU A 90 -9.657 13.340 3.589 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -9.814 13.099 4.804 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.100 14.371 3.063 1.00 0.00 O ATOM 0 H GLU A 90 -6.923 9.568 1.700 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.433 11.659 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.369 12.199 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.025 13.412 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.920 12.635 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.246 11.365 2.867 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.378 10.554 3.401 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.111 10.626 4.096 1.00 0.00 C ATOM 1414 C GLY A 91 -3.285 10.500 5.610 1.00 0.00 C ATOM 1415 O GLY A 91 -2.328 10.654 6.373 1.00 0.00 O ATOM 0 H GLY A 91 -4.679 9.610 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.455 9.832 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.623 11.572 3.864 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.512 10.213 6.033 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.817 9.983 7.436 1.00 0.00 C ATOM 1421 C LYS A 92 -4.819 8.485 7.662 1.00 0.00 C ATOM 1422 O LYS A 92 -5.447 7.752 6.895 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.220 10.507 7.783 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.445 11.988 7.550 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.882 12.362 7.899 1.00 0.00 C ATOM 1426 CE LYS A 92 -8.150 13.845 7.722 1.00 0.00 C ATOM 1427 NZ LYS A 92 -7.993 14.289 6.322 1.00 0.00 N ATOM 0 H LYS A 92 -5.318 10.134 5.413 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.080 10.496 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.951 9.951 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.420 10.288 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.752 12.569 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.239 12.235 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.566 11.794 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.089 12.078 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.162 14.070 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.469 14.412 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.454 15.213 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.981 14.374 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.433 13.594 5.686 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.140 8.032 8.687 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.039 6.605 8.982 1.00 0.00 C ATOM 1443 C ILE A 93 -5.393 6.037 9.376 1.00 0.00 C ATOM 1444 O ILE A 93 -6.018 6.499 10.330 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.025 6.340 10.138 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.625 6.796 9.731 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.006 4.852 10.519 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.604 6.745 10.854 1.00 0.00 C ATOM 0 H ILE A 93 -3.640 8.631 9.344 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.687 6.113 8.076 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.345 6.913 11.008 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.276 6.171 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.683 7.817 9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.292 4.692 11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.000 4.548 10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.713 4.258 9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.363 7.084 10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.927 7.393 11.669 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.514 5.721 11.218 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.851 5.053 8.641 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.054 4.386 8.991 1.00 0.00 C ATOM 1462 C LEU A 94 -6.730 3.078 9.649 1.00 0.00 C ATOM 1463 O LEU A 94 -6.929 2.913 10.857 1.00 0.00 O ATOM 1464 CB LEU A 94 -7.957 4.153 7.786 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.518 5.387 7.080 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.470 4.960 5.983 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.215 6.322 8.063 1.00 0.00 C ATOM 0 H LEU A 94 -5.398 4.705 7.796 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.599 5.028 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.398 3.571 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.797 3.538 8.108 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.687 5.938 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.868 5.843 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.938 4.341 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.291 4.388 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.602 7.189 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.039 5.795 8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.503 6.651 8.820 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.179 2.164 8.881 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.897 0.846 9.379 1.00 0.00 C ATOM 1481 C ASP A 95 -4.797 0.175 8.622 1.00 0.00 C ATOM 1482 O ASP A 95 -4.484 0.541 7.504 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.131 -0.042 9.401 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.773 -0.281 8.064 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.402 0.646 7.508 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.697 -1.401 7.573 1.00 0.00 O ATOM 0 H ASP A 95 -5.918 2.315 7.906 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.564 0.988 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.858 -1.005 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.870 0.407 10.065 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.189 -0.778 9.257 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.108 -1.529 8.668 1.00 0.00 C ATOM 1493 C LYS A 96 -3.217 -3.025 8.954 1.00 0.00 C ATOM 1494 O LYS A 96 -3.825 -3.439 9.951 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.714 -0.931 9.050 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.465 -0.649 10.549 1.00 0.00 C ATOM 1497 CD LYS A 96 -1.441 -1.899 11.419 1.00 0.00 C ATOM 1498 CE LYS A 96 -1.222 -1.533 12.877 1.00 0.00 C ATOM 1499 NZ LYS A 96 -1.203 -2.712 13.764 1.00 0.00 N ATOM 0 H LYS A 96 -4.426 -1.064 10.207 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.198 -1.430 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.942 -1.617 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.583 0.002 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.515 -0.126 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.242 0.022 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.381 -2.441 11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.648 -2.567 11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.279 -0.995 12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.011 -0.854 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.051 -2.405 14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.112 -3.213 13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.433 -3.350 13.477 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.663 -3.818 8.071 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.652 -5.268 8.196 1.00 0.00 C ATOM 1515 C VAL A 97 -1.227 -5.748 8.034 1.00 0.00 C ATOM 1516 O VAL A 97 -0.565 -5.401 7.061 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.535 -5.945 7.103 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.544 -7.463 7.261 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.948 -5.402 7.140 1.00 0.00 C ATOM 0 H VAL A 97 -2.198 -3.477 7.230 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.055 -5.536 9.173 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.098 -5.709 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.168 -7.906 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.527 -7.844 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.944 -7.724 8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.545 -5.889 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.388 -5.599 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.930 -4.327 6.960 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.751 -6.506 8.979 1.00 0.00 N ATOM 1530 CA VAL A 98 0.588 -7.013 8.920 1.00 0.00 C ATOM 1531 C VAL A 98 0.581 -8.527 8.709 1.00 0.00 C ATOM 1532 O VAL A 98 -0.182 -9.260 9.356 1.00 0.00 O ATOM 1533 CB VAL A 98 1.394 -6.622 10.187 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.779 -7.202 11.454 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.852 -7.012 10.052 1.00 0.00 C ATOM 0 H VAL A 98 -1.276 -6.788 9.807 1.00 0.00 H new ATOM 0 HA VAL A 98 1.086 -6.556 8.065 1.00 0.00 H new ATOM 0 HB VAL A 98 1.346 -5.537 10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.375 -6.904 12.317 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.238 -6.828 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.760 -8.290 11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.391 -6.725 10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.929 -8.090 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.287 -6.502 9.193 1.00 0.00 H new ATOM 1545 N GLY A 99 1.390 -8.980 7.785 1.00 0.00 N ATOM 1546 CA GLY A 99 1.472 -10.376 7.484 1.00 0.00 C ATOM 1547 C GLY A 99 0.621 -10.698 6.291 1.00 0.00 C ATOM 1548 O GLY A 99 -0.424 -10.068 6.085 1.00 0.00 O ATOM 0 H GLY A 99 2.006 -8.390 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.508 -10.653 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.144 -10.961 8.343 1.00 0.00 H new ATOM 1552 N ALA A 100 1.041 -11.645 5.477 1.00 0.00 N ATOM 1553 CA ALA A 100 0.245 -11.968 4.327 1.00 0.00 C ATOM 1554 C ALA A 100 -0.879 -12.879 4.744 1.00 0.00 C ATOM 1555 O ALA A 100 -0.666 -14.054 5.068 1.00 0.00 O ATOM 1556 CB ALA A 100 1.097 -12.615 3.247 1.00 0.00 C ATOM 0 H ALA A 100 1.900 -12.184 5.589 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.174 -11.052 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.474 -12.852 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.887 -11.927 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.542 -13.531 3.635 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.058 -12.330 4.752 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.240 -13.024 5.116 1.00 0.00 C ATOM 1564 C LYS A 101 -4.210 -12.867 3.978 1.00 0.00 C ATOM 1565 O LYS A 101 -4.677 -11.768 3.738 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.812 -12.365 6.359 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.823 -12.249 7.517 1.00 0.00 C ATOM 1568 CD LYS A 101 -2.376 -13.584 8.060 1.00 0.00 C ATOM 1569 CE LYS A 101 -3.496 -14.300 8.792 1.00 0.00 C ATOM 1570 NZ LYS A 101 -3.978 -13.518 9.957 1.00 0.00 N ATOM 0 H LYS A 101 -2.220 -11.356 4.496 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.047 -14.078 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.167 -11.368 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.679 -12.935 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.949 -11.690 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.282 -11.674 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.020 -14.209 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.535 -13.437 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.324 -14.478 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.145 -15.276 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.448 -14.155 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.171 -13.055 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.653 -12.795 9.635 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.496 -13.922 3.265 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.333 -13.823 2.105 1.00 0.00 C ATOM 1586 C LYS A 102 -6.786 -13.508 2.479 1.00 0.00 C ATOM 1587 O LYS A 102 -7.366 -12.550 1.970 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.195 -15.125 1.312 1.00 0.00 C ATOM 1589 CG LYS A 102 -5.856 -15.180 -0.058 1.00 0.00 C ATOM 1590 CD LYS A 102 -7.377 -15.306 -0.011 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.962 -15.408 -1.406 1.00 0.00 C ATOM 1592 NZ LYS A 102 -9.434 -15.559 -1.387 1.00 0.00 N ATOM 0 H LYS A 102 -4.159 -14.863 3.470 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.013 -12.989 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.132 -15.330 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.605 -15.934 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.594 -14.279 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.449 -16.026 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.654 -16.187 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.800 -14.442 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.698 -14.517 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.518 -16.259 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.811 -15.405 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.681 -16.518 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.846 -14.861 -0.736 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.348 -14.283 3.383 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.748 -14.113 3.770 1.00 0.00 C ATOM 1608 C ASP A 103 -8.956 -12.878 4.627 1.00 0.00 C ATOM 1609 O ASP A 103 -9.888 -12.106 4.406 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.288 -15.356 4.471 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.742 -15.216 4.862 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.620 -15.377 3.988 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -11.032 -14.936 6.051 1.00 0.00 O ATOM 0 H ASP A 103 -6.864 -15.039 3.868 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.313 -13.971 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.173 -16.218 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.693 -15.553 5.363 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.074 -12.686 5.589 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.178 -11.563 6.512 1.00 0.00 C ATOM 1620 C GLU A 104 -8.014 -10.213 5.796 1.00 0.00 C ATOM 1621 O GLU A 104 -8.662 -9.223 6.164 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.199 -11.733 7.679 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.181 -10.585 8.672 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.328 -10.883 9.875 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -5.119 -11.135 9.716 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -6.866 -10.910 11.003 1.00 0.00 O ATOM 0 H GLU A 104 -7.272 -13.294 5.755 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.185 -11.559 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.448 -12.651 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.194 -11.861 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.809 -9.687 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.200 -10.372 8.996 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.186 -10.184 4.753 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.989 -8.967 3.964 1.00 0.00 C ATOM 1635 C LEU A 105 -8.297 -8.563 3.342 1.00 0.00 C ATOM 1636 O LEU A 105 -8.667 -7.398 3.331 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.994 -9.215 2.851 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.592 -7.991 2.012 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.955 -6.912 2.883 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.648 -8.401 0.894 1.00 0.00 C ATOM 0 H LEU A 105 -6.642 -10.986 4.435 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.615 -8.183 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.091 -9.642 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.410 -9.967 2.181 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.496 -7.573 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.681 -6.059 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.666 -6.593 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.063 -7.313 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.373 -7.523 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.750 -8.848 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.142 -9.127 0.248 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.992 -9.548 2.836 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.293 -9.340 2.211 1.00 0.00 C ATOM 1654 C GLN A 106 -11.307 -8.766 3.193 1.00 0.00 C ATOM 1655 O GLN A 106 -12.170 -7.971 2.815 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.811 -10.606 1.553 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.893 -11.129 0.476 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.466 -12.306 -0.260 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.274 -13.455 0.128 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -11.156 -12.035 -1.330 1.00 0.00 N ATOM 0 H GLN A 106 -8.682 -10.520 2.840 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.152 -8.601 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.945 -11.375 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.793 -10.409 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.683 -10.330 -0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.942 -11.415 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.292 -11.066 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.561 -12.792 -1.881 1.00 0.00 H new ATOM 1669 N SER A 107 -11.182 -9.135 4.447 1.00 0.00 N ATOM 1670 CA SER A 107 -12.040 -8.605 5.479 1.00 0.00 C ATOM 1671 C SER A 107 -11.711 -7.122 5.710 1.00 0.00 C ATOM 1672 O SER A 107 -12.582 -6.316 6.052 1.00 0.00 O ATOM 1673 CB SER A 107 -11.881 -9.425 6.748 1.00 0.00 C ATOM 1674 OG SER A 107 -12.176 -10.792 6.478 1.00 0.00 O ATOM 0 H SER A 107 -10.488 -9.806 4.778 1.00 0.00 H new ATOM 0 HA SER A 107 -13.083 -8.671 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.864 -9.331 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.547 -9.046 7.523 1.00 0.00 H new ATOM 0 HG SER A 107 -12.071 -11.318 7.298 1.00 0.00 H new ATOM 1680 N THR A 108 -10.456 -6.772 5.493 1.00 0.00 N ATOM 1681 CA THR A 108 -10.021 -5.405 5.578 1.00 0.00 C ATOM 1682 C THR A 108 -10.499 -4.625 4.340 1.00 0.00 C ATOM 1683 O THR A 108 -10.791 -3.426 4.414 1.00 0.00 O ATOM 1684 CB THR A 108 -8.496 -5.327 5.737 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.132 -6.036 6.926 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.026 -3.884 5.850 1.00 0.00 C ATOM 0 H THR A 108 -9.717 -7.433 5.254 1.00 0.00 H new ATOM 0 HA THR A 108 -10.463 -4.947 6.462 1.00 0.00 H new ATOM 0 HB THR A 108 -8.024 -5.768 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.262 -6.997 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.942 -3.862 5.962 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.309 -3.338 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.490 -3.417 6.719 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.601 -5.312 3.216 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.166 -4.716 2.022 1.00 0.00 C ATOM 1696 C ILE A 109 -12.621 -4.365 2.320 1.00 0.00 C ATOM 1697 O ILE A 109 -13.046 -3.237 2.122 1.00 0.00 O ATOM 1698 CB ILE A 109 -11.093 -5.677 0.805 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.635 -6.081 0.542 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.699 -5.018 -0.438 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.460 -7.065 -0.594 1.00 0.00 C ATOM 0 H ILE A 109 -10.300 -6.281 3.107 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.592 -3.827 1.761 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.671 -6.573 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.055 -5.184 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.220 -6.516 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.639 -5.707 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.743 -4.770 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.147 -4.108 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.402 -7.298 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.010 -7.979 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.842 -6.627 -1.516 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.343 -5.338 2.869 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.744 -5.175 3.271 1.00 0.00 C ATOM 1715 C ALA A 110 -14.899 -4.069 4.324 1.00 0.00 C ATOM 1716 O ALA A 110 -15.919 -3.385 4.376 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.290 -6.488 3.796 1.00 0.00 C ATOM 0 H ALA A 110 -12.972 -6.271 3.050 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.316 -4.877 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.331 -6.357 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.227 -7.246 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.705 -6.806 4.659 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.875 -3.907 5.156 1.00 0.00 N ATOM 1724 CA LYS A 111 -13.818 -2.845 6.170 1.00 0.00 C ATOM 1725 C LYS A 111 -13.925 -1.496 5.483 1.00 0.00 C ATOM 1726 O LYS A 111 -14.543 -0.554 5.986 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.479 -2.893 6.853 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.326 -1.988 8.072 1.00 0.00 C ATOM 1729 CD LYS A 111 -10.873 -1.914 8.545 1.00 0.00 C ATOM 1730 CE LYS A 111 -10.290 -3.274 8.919 1.00 0.00 C ATOM 1731 NZ LYS A 111 -8.854 -3.172 9.296 1.00 0.00 N ATOM 0 H LYS A 111 -13.053 -4.510 5.150 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.629 -2.984 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.285 -3.921 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.711 -2.626 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.680 -0.987 7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.954 -2.360 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.264 -1.469 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.812 -1.251 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.855 -3.696 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.398 -3.960 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.448 -4.126 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.340 -2.639 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.769 -2.679 10.208 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.306 -1.420 4.338 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.290 -0.234 3.541 1.00 0.00 C ATOM 1747 C HIS A 112 -14.498 -0.111 2.612 1.00 0.00 C ATOM 1748 O HIS A 112 -14.662 0.905 1.953 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.978 -0.111 2.776 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.801 0.273 3.630 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.272 1.534 3.638 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.047 -0.446 4.499 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.255 1.582 4.464 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.096 0.395 5.000 1.00 0.00 N ATOM 0 H HIS A 112 -12.790 -2.198 3.928 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.365 0.605 4.233 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.764 -1.062 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.098 0.632 1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.175 -1.489 4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.650 2.453 4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.379 0.142 5.680 1.00 0.00 H new ATOM 1763 N LEU A 113 -15.336 -1.137 2.548 1.00 0.00 N ATOM 1764 CA LEU A 113 -16.544 -1.058 1.808 1.00 0.00 C ATOM 1765 C LEU A 113 -17.622 -0.372 2.621 1.00 0.00 C ATOM 1766 O LEU A 113 -18.388 -1.018 3.354 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.992 -2.432 1.347 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.576 -2.889 -0.063 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -17.201 -2.002 -1.131 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -15.070 -2.926 -0.226 1.00 0.00 C ATOM 0 H LEU A 113 -15.180 -2.032 3.011 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.360 -0.458 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.614 -3.164 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -18.080 -2.465 1.402 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.948 -3.906 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -16.891 -2.347 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.287 -2.051 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.873 -0.973 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.821 -3.254 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.661 -1.930 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.643 -3.621 0.497 1.00 0.00 H new