USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 14 THR OG1 : rot -164:sc= 0.0328 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.0319 USER MOD Set 2.1: A 38 GLN : amide:sc= 1.1 K(o=0.2,f=-5.3!) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.9 K(o=0.2,f=-3.2!) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.62 K(o=1.4,f=0.056!) USER MOD Set 3.2: A 67 ASN : amide:sc= 0.762 K(o=1.4,f=0.056) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.043 USER MOD Single : A 9 THR OG1 : rot -93:sc= 0.861 USER MOD Single : A 11 ASN : amide:sc= -0.408 K(o=-0.41,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 MET CE :methyl -134:sc= 0 (180deg=-1.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -76:sc= 0.481 USER MOD Single : A 27 THR OG1 : rot -29:sc= 0.0219 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 89:sc= 0.374 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00655 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.0529 K(o=0.053,f=-0.45) USER MOD Single : A 58 MET CE :methyl -167:sc=-0.00611 (180deg=-0.222) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 1.1 (180deg=1.06) USER MOD Single : A 70 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -11.252 4.095 5.007 1.00 50.00 N ATOM 21 CA LYS A 2 -10.655 5.423 5.063 1.00 50.00 C ATOM 22 C LYS A 2 -9.392 5.424 5.914 1.00 50.00 C ATOM 23 O LYS A 2 -9.396 4.944 7.048 1.00 50.00 O ATOM 24 CB LYS A 2 -11.659 6.440 5.610 1.00 50.00 C ATOM 25 CG LYS A 2 -11.186 7.885 5.547 1.00 50.00 C ATOM 26 CD LYS A 2 -12.317 8.851 5.871 1.00 50.00 C ATOM 27 CE LYS A 2 -11.882 10.298 5.685 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.036 11.236 5.723 1.00 75.00 N ATOM 0 HA LYS A 2 -10.381 5.708 4.047 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.590 6.350 5.051 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.884 6.189 6.646 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.366 8.033 6.250 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.796 8.099 4.552 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.172 8.641 5.228 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.645 8.697 6.899 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.171 10.566 6.466 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.362 10.401 4.732 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.696 12.210 5.593 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.703 10.997 4.961 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.517 11.157 6.642 1.00 75.00 H new ATOM 42 N ILE A 3 -8.313 5.967 5.362 1.00 50.00 N ATOM 43 CA ILE A 3 -7.024 5.972 6.043 1.00 50.00 C ATOM 44 C ILE A 3 -7.084 6.783 7.331 1.00 50.00 C ATOM 45 O ILE A 3 -7.758 7.811 7.397 1.00 50.00 O ATOM 46 CB ILE A 3 -5.911 6.538 5.143 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.533 6.187 5.711 1.00 50.00 C ATOM 48 CG2 ILE A 3 -6.061 8.044 4.996 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.392 6.463 4.759 1.00 50.00 C ATOM 0 H ILE A 3 -8.306 6.410 4.443 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.792 4.934 6.282 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.001 6.086 4.155 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.373 6.754 6.628 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.520 5.131 5.982 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -5.266 8.428 4.357 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -7.028 8.271 4.548 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -5.996 8.514 5.977 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -2.449 6.189 5.232 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.526 5.876 3.850 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.377 7.523 4.507 1.00 50.00 H new ATOM 61 N ILE A 4 -6.378 6.314 8.354 1.00 10.00 N ATOM 62 CA ILE A 4 -6.283 7.038 9.615 1.00 10.00 C ATOM 63 C ILE A 4 -4.918 7.696 9.771 1.00 10.00 C ATOM 64 O ILE A 4 -4.822 8.901 10.008 1.00 50.00 O ATOM 65 CB ILE A 4 -6.536 6.112 10.818 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.946 5.519 10.750 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.337 6.868 12.124 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.198 4.423 11.759 1.00 50.00 C ATOM 0 H ILE A 4 -5.863 5.434 8.334 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.054 7.809 9.593 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.816 5.294 10.781 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.673 6.316 10.905 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.115 5.124 9.749 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.520 6.198 12.964 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.315 7.243 12.175 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.033 7.705 12.170 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.218 4.054 11.648 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.496 3.606 11.592 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.062 4.817 12.766 1.00 50.00 H new ATOM 80 N SER A 5 -3.863 6.899 9.639 1.00 10.00 N ATOM 81 CA SER A 5 -2.501 7.403 9.761 1.00 10.00 C ATOM 82 C SER A 5 -1.502 6.453 9.112 1.00 10.00 C ATOM 83 O SER A 5 -1.828 5.306 8.810 1.00 50.00 O ATOM 84 CB SER A 5 -2.153 7.621 11.220 1.00 50.00 C ATOM 85 OG SER A 5 -2.087 6.416 11.931 1.00 50.00 O ATOM 0 H SER A 5 -3.926 5.899 9.447 1.00 10.00 H new ATOM 0 HA SER A 5 -2.444 8.357 9.237 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.195 8.136 11.291 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.899 8.271 11.677 1.00 50.00 H new ATOM 0 HG SER A 5 -1.859 6.600 12.866 1.00 50.00 H new ATOM 91 N ILE A 6 -0.284 6.938 8.903 1.00 10.00 N ATOM 92 CA ILE A 6 0.784 6.115 8.346 1.00 10.00 C ATOM 93 C ILE A 6 2.009 6.114 9.252 1.00 10.00 C ATOM 94 O ILE A 6 2.544 7.170 9.589 1.00 50.00 O ATOM 95 CB ILE A 6 1.194 6.595 6.942 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.010 6.579 5.998 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.318 5.732 6.392 1.00 50.00 C ATOM 98 CD1 ILE A 6 0.293 7.098 4.612 1.00 50.00 C ATOM 0 H ILE A 6 -0.010 7.898 9.111 1.00 10.00 H new ATOM 0 HA ILE A 6 0.392 5.101 8.271 1.00 10.00 H new ATOM 0 HB ILE A 6 1.556 7.620 7.019 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.384 5.558 5.919 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -0.809 7.179 6.434 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.595 6.085 5.399 1.00 50.00 H new ATOM 0 HG22 ILE A 6 3.182 5.795 7.054 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.984 4.696 6.328 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.609 7.055 4.002 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.638 8.130 4.677 1.00 50.00 H new ATOM 0 HD13 ILE A 6 1.069 6.484 4.155 1.00 50.00 H new ATOM 110 N SER A 7 2.447 4.922 9.641 1.00 10.00 N ATOM 111 CA SER A 7 3.606 4.783 10.515 1.00 10.00 C ATOM 112 C SER A 7 4.771 4.124 9.784 1.00 10.00 C ATOM 113 O SER A 7 4.581 3.473 8.757 1.00 50.00 O ATOM 114 CB SER A 7 3.237 3.983 11.749 1.00 50.00 C ATOM 115 OG SER A 7 2.844 2.676 11.431 1.00 50.00 O ATOM 0 H SER A 7 2.018 4.039 9.365 1.00 10.00 H new ATOM 0 HA SER A 7 3.922 5.780 10.821 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.089 3.950 12.428 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.428 4.486 12.278 1.00 50.00 H new ATOM 0 HG SER A 7 2.616 2.194 12.253 1.00 50.00 H new ATOM 121 N GLU A 8 5.974 4.296 10.321 1.00 10.00 N ATOM 122 CA GLU A 8 7.166 3.694 9.738 1.00 50.00 C ATOM 123 C GLU A 8 7.430 2.313 10.325 1.00 10.00 C ATOM 124 O GLU A 8 6.814 1.922 11.317 1.00 50.00 O ATOM 125 CB GLU A 8 8.383 4.598 9.954 1.00 50.00 C ATOM 126 CG GLU A 8 8.302 5.941 9.243 1.00 50.00 C ATOM 127 CD GLU A 8 9.509 6.788 9.537 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.302 6.393 10.358 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.698 7.772 8.862 1.00 50.00 O ATOM 0 H GLU A 8 6.149 4.848 11.160 1.00 10.00 H new ATOM 0 HA GLU A 8 6.993 3.582 8.668 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.505 4.773 11.023 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.275 4.073 9.613 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.220 5.781 8.168 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.400 6.467 9.557 1.00 50.00 H new ATOM 136 N THR A 9 8.347 1.578 9.707 1.00 50.00 N ATOM 137 CA THR A 9 8.696 0.240 10.169 1.00 10.00 C ATOM 138 C THR A 9 10.205 0.052 10.228 1.00 10.00 C ATOM 139 O THR A 9 10.963 0.863 9.694 1.00 50.00 O ATOM 140 CB THR A 9 8.090 -0.846 9.262 1.00 50.00 C ATOM 141 OG1 THR A 9 8.809 -0.895 8.024 1.00 50.00 O ATOM 142 CG2 THR A 9 6.624 -0.550 8.982 1.00 50.00 C ATOM 0 H THR A 9 8.863 1.887 8.883 1.00 50.00 H new ATOM 0 HA THR A 9 8.281 0.137 11.172 1.00 10.00 H new ATOM 0 HB THR A 9 8.165 -1.807 9.771 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.364 -0.322 7.365 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.212 -1.328 8.339 1.00 50.00 H new ATOM 0 HG22 THR A 9 6.072 -0.525 9.922 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.536 0.416 8.484 1.00 50.00 H new ATOM 150 N PRO A 10 10.639 -1.018 10.882 1.00 50.00 N ATOM 151 CA PRO A 10 12.061 -1.315 11.010 1.00 50.00 C ATOM 152 C PRO A 10 12.737 -1.372 9.647 1.00 50.00 C ATOM 153 O PRO A 10 13.918 -1.052 9.513 1.00 50.00 O ATOM 154 CB PRO A 10 12.097 -2.668 11.730 1.00 50.00 C ATOM 155 CG PRO A 10 10.825 -2.711 12.503 1.00 50.00 C ATOM 156 CD PRO A 10 9.809 -2.008 11.641 1.00 50.00 C ATOM 0 HA PRO A 10 12.605 -0.547 11.560 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.159 -3.494 11.021 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.964 -2.746 12.387 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.524 -3.739 12.707 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.934 -2.214 13.467 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.297 -2.701 10.974 1.00 50.00 H new ATOM 0 HD3 PRO A 10 9.042 -1.517 12.240 1.00 50.00 H new ATOM 164 N ASN A 11 11.980 -1.784 8.634 1.00 50.00 N ATOM 165 CA ASN A 11 12.472 -1.786 7.262 1.00 50.00 C ATOM 166 C ASN A 11 11.929 -0.598 6.478 1.00 50.00 C ATOM 167 O ASN A 11 10.738 -0.537 6.174 1.00 50.00 O ATOM 168 CB ASN A 11 12.129 -3.083 6.552 1.00 50.00 C ATOM 169 CG ASN A 11 12.713 -3.189 5.171 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.163 -2.198 4.586 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.636 -4.372 4.614 1.00 50.00 N ATOM 0 H ASN A 11 11.023 -2.121 8.739 1.00 50.00 H new ATOM 0 HA ASN A 11 13.557 -1.700 7.310 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.484 -3.920 7.152 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.045 -3.175 6.486 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.956 -4.506 3.655 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.256 -5.159 5.140 1.00 50.00 H new ATOM 178 N HIS A 12 12.808 0.343 6.157 1.00 50.00 N ATOM 179 CA HIS A 12 12.391 1.615 5.580 1.00 50.00 C ATOM 180 C HIS A 12 11.829 1.426 4.177 1.00 50.00 C ATOM 181 O HIS A 12 11.187 2.322 3.628 1.00 50.00 O ATOM 182 CB HIS A 12 13.561 2.603 5.546 1.00 50.00 C ATOM 183 CG HIS A 12 14.617 2.252 4.543 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.583 1.297 4.785 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.859 2.725 3.299 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.373 1.198 3.730 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.955 2.055 2.815 1.00 75.00 N ATOM 0 H HIS A 12 13.815 0.249 6.287 1.00 50.00 H new ATOM 0 HA HIS A 12 11.603 2.022 6.214 1.00 50.00 H new ATOM 0 HB2 HIS A 12 13.178 3.599 5.323 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.014 2.650 6.536 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.295 3.488 2.783 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.216 0.530 3.632 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.378 2.196 1.898 1.00 75.00 H new ATOM 195 N ASN A 13 12.071 0.253 3.602 1.00 10.00 N ATOM 196 CA ASN A 13 11.600 -0.051 2.256 1.00 10.00 C ATOM 197 C ASN A 13 10.086 -0.215 2.226 1.00 10.00 C ATOM 198 O ASN A 13 9.462 -0.105 1.171 1.00 50.00 O ATOM 199 CB ASN A 13 12.274 -1.292 1.700 1.00 50.00 C ATOM 200 CG ASN A 13 13.703 -1.072 1.288 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.137 0.062 1.059 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.413 -2.157 1.113 1.00 50.00 N ATOM 0 H ASN A 13 12.591 -0.503 4.047 1.00 10.00 H new ATOM 0 HA ASN A 13 11.868 0.795 1.622 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.239 -2.081 2.452 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.708 -1.647 0.839 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.372 -2.089 0.773 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.007 -3.070 1.317 1.00 50.00 H new ATOM 209 N THR A 14 9.501 -0.481 3.389 1.00 10.00 N ATOM 210 CA THR A 14 8.057 -0.632 3.503 1.00 10.00 C ATOM 211 C THR A 14 7.507 0.185 4.666 1.00 10.00 C ATOM 212 O THR A 14 8.194 0.403 5.664 1.00 50.00 O ATOM 213 CB THR A 14 7.655 -2.107 3.693 1.00 50.00 C ATOM 214 OG1 THR A 14 6.233 -2.202 3.846 1.00 50.00 O ATOM 215 CG2 THR A 14 8.334 -2.691 4.923 1.00 50.00 C ATOM 0 H THR A 14 10.007 -0.596 4.267 1.00 10.00 H new ATOM 0 HA THR A 14 7.630 -0.265 2.570 1.00 10.00 H new ATOM 0 HB THR A 14 7.971 -2.670 2.815 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.001 -3.081 4.213 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.038 -3.733 5.041 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.416 -2.632 4.804 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.035 -2.127 5.806 1.00 50.00 H new ATOM 223 N MET A 15 6.265 0.636 4.530 1.00 10.00 N ATOM 224 CA MET A 15 5.613 1.413 5.578 1.00 10.00 C ATOM 225 C MET A 15 4.274 0.800 5.964 1.00 10.00 C ATOM 226 O MET A 15 3.694 0.022 5.206 1.00 50.00 O ATOM 227 CB MET A 15 5.422 2.858 5.121 1.00 50.00 C ATOM 228 CG MET A 15 6.718 3.634 4.929 1.00 50.00 C ATOM 229 SD MET A 15 6.438 5.325 4.370 1.00 50.00 S ATOM 230 CE MET A 15 5.974 6.118 5.906 1.00 50.00 C ATOM 0 H MET A 15 5.689 0.477 3.703 1.00 10.00 H new ATOM 0 HA MET A 15 6.255 1.401 6.459 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.870 2.859 4.181 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.806 3.379 5.853 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.269 3.653 5.870 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.344 3.114 4.204 1.00 50.00 H new ATOM 0 HE1 MET A 15 5.093 6.739 5.743 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.749 5.358 6.654 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.797 6.741 6.257 1.00 50.00 H new ATOM 240 N LYS A 16 3.784 1.156 7.148 1.00 10.00 N ATOM 241 CA LYS A 16 2.539 0.600 7.661 1.00 10.00 C ATOM 242 C LYS A 16 1.418 1.630 7.619 1.00 10.00 C ATOM 243 O LYS A 16 1.565 2.743 8.123 1.00 50.00 O ATOM 244 CB LYS A 16 2.729 0.089 9.090 1.00 50.00 C ATOM 245 CG LYS A 16 1.458 -0.427 9.748 1.00 50.00 C ATOM 246 CD LYS A 16 1.695 -0.784 11.207 1.00 50.00 C ATOM 247 CE LYS A 16 0.399 -1.178 11.899 1.00 50.00 C ATOM 248 NZ LYS A 16 0.618 -1.538 13.327 1.00 50.00 N ATOM 0 H LYS A 16 4.232 1.829 7.770 1.00 10.00 H new ATOM 0 HA LYS A 16 2.259 -0.236 7.020 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.469 -0.711 9.081 1.00 50.00 H new ATOM 0 HB3 LYS A 16 3.138 0.895 9.700 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.677 0.331 9.679 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.099 -1.305 9.211 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.408 -1.606 11.271 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.141 0.066 11.723 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.310 -0.353 11.838 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.049 -2.023 11.376 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.290 -1.800 13.762 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.275 -2.342 13.385 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.022 -0.724 13.832 1.00 50.00 H new ATOM 262 N ILE A 17 0.297 1.252 7.015 1.00 10.00 N ATOM 263 CA ILE A 17 -0.829 2.164 6.847 1.00 10.00 C ATOM 264 C ILE A 17 -2.055 1.671 7.604 1.00 10.00 C ATOM 265 O ILE A 17 -2.544 0.568 7.361 1.00 50.00 O ATOM 266 CB ILE A 17 -1.192 2.346 5.362 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.012 2.945 4.592 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.426 3.224 5.221 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.266 3.104 3.111 1.00 50.00 C ATOM 0 H ILE A 17 0.143 0.319 6.633 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.518 3.126 7.255 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.417 1.368 4.937 1.00 50.00 H new ATOM 0 HG12 ILE A 17 0.229 3.920 5.016 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.862 2.310 4.735 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.669 3.343 4.165 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.265 2.757 5.737 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.229 4.202 5.660 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.615 3.534 2.635 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.477 2.129 2.671 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.120 3.764 2.957 1.00 50.00 H new ATOM 281 N THR A 18 -2.547 2.494 8.523 1.00 10.00 N ATOM 282 CA THR A 18 -3.679 2.117 9.362 1.00 10.00 C ATOM 283 C THR A 18 -4.990 2.626 8.778 1.00 10.00 C ATOM 284 O THR A 18 -5.133 3.813 8.486 1.00 50.00 O ATOM 285 CB THR A 18 -3.523 2.658 10.796 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.346 2.099 11.395 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.737 2.294 11.638 1.00 50.00 C ATOM 0 H THR A 18 -2.179 3.428 8.706 1.00 10.00 H new ATOM 0 HA THR A 18 -3.698 1.028 9.394 1.00 10.00 H new ATOM 0 HB THR A 18 -3.436 3.744 10.751 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.247 2.445 12.306 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.610 2.684 12.648 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.632 2.727 11.192 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.840 1.210 11.678 1.00 50.00 H new ATOM 295 N LEU A 19 -5.948 1.720 8.611 1.00 10.00 N ATOM 296 CA LEU A 19 -7.228 2.063 8.004 1.00 50.00 C ATOM 297 C LEU A 19 -8.365 1.948 9.012 1.00 10.00 C ATOM 298 O LEU A 19 -8.262 1.218 9.997 1.00 50.00 O ATOM 299 CB LEU A 19 -7.497 1.160 6.791 1.00 50.00 C ATOM 300 CG LEU A 19 -6.384 1.136 5.737 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.734 0.150 4.631 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.188 2.535 5.170 1.00 50.00 C ATOM 0 H LEU A 19 -5.862 0.742 8.888 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.178 3.100 7.671 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.662 0.142 7.145 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.421 1.486 6.313 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.452 0.813 6.201 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.937 0.140 3.887 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.847 -0.848 5.055 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.669 0.451 4.158 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.396 2.516 4.421 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.116 2.874 4.709 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -5.911 3.218 5.973 1.00 50.00 H new ATOM 314 N SER A 20 -9.448 2.675 8.759 1.00 10.00 N ATOM 315 CA SER A 20 -10.644 2.580 9.588 1.00 10.00 C ATOM 316 C SER A 20 -11.441 1.323 9.264 1.00 50.00 C ATOM 317 O SER A 20 -11.772 0.540 10.152 1.00 50.00 O ATOM 318 CB SER A 20 -11.505 3.815 9.403 1.00 50.00 C ATOM 319 OG SER A 20 -11.971 3.940 8.087 1.00 50.00 O ATOM 0 H SER A 20 -9.522 3.337 7.986 1.00 10.00 H new ATOM 0 HA SER A 20 -10.332 2.518 10.630 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.354 3.770 10.085 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.929 4.701 9.669 1.00 50.00 H new ATOM 0 HG SER A 20 -11.246 4.264 7.513 1.00 50.00 H new ATOM 414 N THR A 27 -9.037 -10.819 6.598 1.00 50.00 N ATOM 415 CA THR A 27 -7.970 -11.814 6.581 1.00 50.00 C ATOM 416 C THR A 27 -6.838 -11.390 5.655 1.00 50.00 C ATOM 417 O THR A 27 -6.999 -10.487 4.833 1.00 50.00 O ATOM 418 CB THR A 27 -8.491 -13.195 6.141 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.954 -13.124 4.786 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.633 -13.645 7.040 1.00 75.00 C ATOM 0 HA THR A 27 -7.593 -11.888 7.601 1.00 50.00 H new ATOM 0 HB THR A 27 -7.677 -13.915 6.217 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.267 -12.215 4.594 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.989 -14.623 6.715 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.281 -13.711 8.070 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.448 -12.924 6.981 1.00 75.00 H new ATOM 428 N SER A 28 -5.691 -12.048 5.791 1.00 10.00 N ATOM 429 CA SER A 28 -4.481 -11.632 5.093 1.00 10.00 C ATOM 430 C SER A 28 -4.594 -11.891 3.596 1.00 10.00 C ATOM 431 O SER A 28 -5.343 -12.767 3.161 1.00 50.00 O ATOM 432 CB SER A 28 -3.275 -12.352 5.663 1.00 50.00 C ATOM 433 OG SER A 28 -3.304 -13.727 5.390 1.00 50.00 O ATOM 0 H SER A 28 -5.575 -12.873 6.380 1.00 10.00 H new ATOM 0 HA SER A 28 -4.356 -10.559 5.240 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.365 -11.919 5.247 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.237 -12.198 6.741 1.00 50.00 H new ATOM 0 HG SER A 28 -2.509 -14.153 5.773 1.00 50.00 H new ATOM 439 N ASP A 29 -3.847 -11.124 2.810 1.00 10.00 N ATOM 440 CA ASP A 29 -3.839 -11.288 1.361 1.00 10.00 C ATOM 441 C ASP A 29 -2.629 -10.608 0.735 1.00 10.00 C ATOM 442 O ASP A 29 -2.074 -9.665 1.298 1.00 50.00 O ATOM 443 CB ASP A 29 -5.127 -10.730 0.753 1.00 50.00 C ATOM 444 CG ASP A 29 -5.457 -11.273 -0.632 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.695 -12.066 -1.132 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.536 -11.015 -1.108 1.00 50.00 O ATOM 0 H ASP A 29 -3.238 -10.381 3.153 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.778 -12.355 1.147 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.957 -10.952 1.424 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -5.046 -9.645 0.694 1.00 50.00 H new ATOM 451 N THR A 30 -2.221 -11.093 -0.432 1.00 10.00 N ATOM 452 CA THR A 30 -1.011 -10.608 -1.083 1.00 10.00 C ATOM 453 C THR A 30 -1.322 -10.018 -2.454 1.00 10.00 C ATOM 454 O THR A 30 -1.980 -10.654 -3.279 1.00 50.00 O ATOM 455 CB THR A 30 0.034 -11.727 -1.243 1.00 50.00 C ATOM 456 OG1 THR A 30 0.393 -12.238 0.048 1.00 50.00 O ATOM 457 CG2 THR A 30 1.279 -11.200 -1.939 1.00 50.00 C ATOM 0 H THR A 30 -2.712 -11.823 -0.947 1.00 10.00 H new ATOM 0 HA THR A 30 -0.600 -9.830 -0.440 1.00 10.00 H new ATOM 0 HB THR A 30 -0.399 -12.523 -1.849 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.057 -12.951 -0.056 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.006 -12.005 -2.043 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.012 -10.823 -2.926 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.713 -10.394 -1.347 1.00 50.00 H new ATOM 465 N TYR A 31 -0.846 -8.801 -2.691 1.00 10.00 N ATOM 466 CA TYR A 31 -1.066 -8.127 -3.965 1.00 10.00 C ATOM 467 C TYR A 31 0.252 -7.716 -4.606 1.00 10.00 C ATOM 468 O TYR A 31 0.889 -6.754 -4.177 1.00 50.00 O ATOM 469 CB TYR A 31 -1.962 -6.899 -3.774 1.00 50.00 C ATOM 470 CG TYR A 31 -3.321 -7.219 -3.191 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.366 -7.627 -4.006 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.557 -7.106 -1.829 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.609 -7.919 -3.481 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.797 -7.396 -1.292 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.821 -7.802 -2.122 1.00 50.00 C ATOM 476 OH TYR A 31 -7.058 -8.091 -1.595 1.00 50.00 O ATOM 0 H TYR A 31 -0.305 -8.260 -2.017 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.565 -8.830 -4.632 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.455 -6.189 -3.121 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.097 -6.406 -4.737 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -4.205 -7.718 -5.070 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.758 -6.786 -1.177 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.411 -8.237 -4.130 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.963 -7.305 -0.229 1.00 50.00 H new ATOM 0 HH TYR A 31 -7.105 -9.045 -1.374 1.00 50.00 H new ATOM 486 N THR A 32 0.657 -8.449 -5.637 1.00 10.00 N ATOM 487 CA THR A 32 1.914 -8.177 -6.324 1.00 10.00 C ATOM 488 C THR A 32 1.676 -7.836 -7.789 1.00 10.00 C ATOM 489 O THR A 32 2.285 -6.911 -8.328 1.00 50.00 O ATOM 490 CB THR A 32 2.876 -9.376 -6.238 1.00 50.00 C ATOM 491 OG1 THR A 32 2.258 -10.532 -6.814 1.00 50.00 O ATOM 492 CG2 THR A 32 3.236 -9.667 -4.790 1.00 50.00 C ATOM 0 H THR A 32 0.132 -9.237 -6.016 1.00 10.00 H new ATOM 0 HA THR A 32 2.368 -7.322 -5.822 1.00 10.00 H new ATOM 0 HB THR A 32 3.786 -9.132 -6.787 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.873 -11.293 -6.760 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.917 -10.517 -4.748 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.719 -8.793 -4.353 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.330 -9.899 -4.230 1.00 50.00 H new ATOM 500 N LYS A 33 0.786 -8.587 -8.431 1.00 10.00 N ATOM 501 CA LYS A 33 0.465 -8.363 -9.835 1.00 50.00 C ATOM 502 C LYS A 33 -1.004 -8.001 -10.014 1.00 50.00 C ATOM 503 O LYS A 33 -1.877 -8.573 -9.361 1.00 50.00 O ATOM 504 CB LYS A 33 0.807 -9.601 -10.666 1.00 50.00 C ATOM 505 CG LYS A 33 2.296 -9.909 -10.752 1.00 50.00 C ATOM 506 CD LYS A 33 2.560 -11.110 -11.650 1.00 50.00 C ATOM 507 CE LYS A 33 4.047 -11.425 -11.727 1.00 75.00 C ATOM 508 NZ LYS A 33 4.323 -12.596 -12.604 1.00 75.00 N ATOM 0 H LYS A 33 0.274 -9.357 -8.000 1.00 10.00 H new ATOM 0 HA LYS A 33 1.067 -7.524 -10.185 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.294 -10.463 -10.239 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.417 -9.465 -11.675 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.828 -9.039 -11.138 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.688 -10.105 -9.754 1.00 50.00 H new ATOM 0 HD2 LYS A 33 2.021 -11.978 -11.269 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.176 -10.911 -12.650 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.583 -10.554 -12.105 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.428 -11.624 -10.725 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.347 -12.777 -12.629 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.832 -13.433 -12.230 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.983 -12.397 -13.566 1.00 75.00 H new ATOM 522 N VAL A 34 -1.269 -7.049 -10.902 1.00 50.00 N ATOM 523 CA VAL A 34 -2.627 -6.562 -11.119 1.00 50.00 C ATOM 524 C VAL A 34 -3.536 -7.676 -11.621 1.00 50.00 C ATOM 525 O VAL A 34 -3.256 -8.309 -12.639 1.00 50.00 O ATOM 526 CB VAL A 34 -2.653 -5.396 -12.127 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.088 -5.005 -12.448 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.886 -4.202 -11.580 1.00 50.00 C ATOM 0 H VAL A 34 -0.562 -6.599 -11.483 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.993 -6.206 -10.156 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.169 -5.724 -13.047 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.090 -4.180 -13.161 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.610 -5.859 -12.880 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.594 -4.695 -11.534 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.915 -3.388 -12.305 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.342 -3.873 -10.646 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.850 -4.488 -11.396 1.00 50.00 H new ATOM 538 N ASP A 35 -4.629 -7.909 -10.901 1.00 50.00 N ATOM 539 CA ASP A 35 -5.600 -8.925 -11.290 1.00 50.00 C ATOM 540 C ASP A 35 -7.025 -8.421 -11.112 1.00 50.00 C ATOM 541 O ASP A 35 -7.268 -7.456 -10.386 1.00 50.00 O ATOM 542 CB ASP A 35 -5.390 -10.205 -10.478 1.00 50.00 C ATOM 543 CG ASP A 35 -5.979 -11.457 -11.114 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.486 -11.363 -12.207 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.780 -12.522 -10.578 1.00 50.00 O ATOM 0 H ASP A 35 -4.864 -7.407 -10.045 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.446 -9.146 -12.346 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.321 -10.356 -10.330 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.832 -10.071 -9.491 1.00 50.00 H new ATOM 550 N ASP A 36 -7.968 -9.079 -11.780 1.00 50.00 N ATOM 551 CA ASP A 36 -9.368 -8.676 -11.726 1.00 50.00 C ATOM 552 C ASP A 36 -9.985 -9.007 -10.373 1.00 50.00 C ATOM 553 O ASP A 36 -10.894 -8.317 -9.909 1.00 50.00 O ATOM 554 CB ASP A 36 -10.164 -9.349 -12.846 1.00 50.00 C ATOM 555 CG ASP A 36 -9.897 -8.784 -14.235 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.301 -7.737 -14.324 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.148 -9.476 -15.194 1.00 50.00 O ATOM 0 H ASP A 36 -7.787 -9.894 -12.365 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.409 -7.596 -11.864 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.933 -10.414 -12.850 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.228 -9.254 -12.627 1.00 50.00 H new ATOM 562 N SER A 37 -9.488 -10.068 -9.745 1.00 50.00 N ATOM 563 CA SER A 37 -9.981 -10.485 -8.438 1.00 50.00 C ATOM 564 C SER A 37 -9.664 -9.442 -7.372 1.00 50.00 C ATOM 565 O SER A 37 -10.263 -9.440 -6.297 1.00 50.00 O ATOM 566 CB SER A 37 -9.384 -11.825 -8.059 1.00 50.00 C ATOM 567 OG SER A 37 -7.997 -11.750 -7.867 1.00 50.00 O ATOM 0 H SER A 37 -8.743 -10.655 -10.121 1.00 50.00 H new ATOM 0 HA SER A 37 -11.065 -10.584 -8.499 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.857 -12.187 -7.146 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.602 -12.553 -8.841 1.00 50.00 H new ATOM 0 HG SER A 37 -7.652 -12.634 -7.622 1.00 50.00 H new ATOM 573 N GLN A 38 -8.721 -8.558 -7.679 1.00 50.00 N ATOM 574 CA GLN A 38 -8.267 -7.559 -6.719 1.00 50.00 C ATOM 575 C GLN A 38 -9.091 -6.282 -6.822 1.00 50.00 C ATOM 576 O GLN A 38 -9.578 -5.931 -7.897 1.00 50.00 O ATOM 577 CB GLN A 38 -6.786 -7.239 -6.937 1.00 50.00 C ATOM 578 CG GLN A 38 -5.883 -8.459 -6.962 1.00 50.00 C ATOM 579 CD GLN A 38 -4.518 -8.157 -7.553 1.00 50.00 C ATOM 580 OE1 GLN A 38 -4.321 -7.125 -8.201 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.567 -9.059 -7.334 1.00 50.00 N ATOM 0 H GLN A 38 -8.256 -8.513 -8.586 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.399 -7.975 -5.720 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.677 -6.701 -7.879 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.450 -6.569 -6.146 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.761 -8.838 -5.947 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.360 -9.249 -7.542 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.775 -9.898 -6.792 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.629 -8.912 -7.707 1.00 50.00 H new ATOM 590 N PRO A 39 -9.242 -5.588 -5.699 1.00 50.00 N ATOM 591 CA PRO A 39 -9.899 -4.287 -5.685 1.00 50.00 C ATOM 592 C PRO A 39 -9.297 -3.353 -6.729 1.00 50.00 C ATOM 593 O PRO A 39 -8.077 -3.270 -6.870 1.00 50.00 O ATOM 594 CB PRO A 39 -9.681 -3.772 -4.259 1.00 50.00 C ATOM 595 CG PRO A 39 -9.491 -5.006 -3.444 1.00 50.00 C ATOM 596 CD PRO A 39 -8.768 -5.971 -4.343 1.00 50.00 C ATOM 0 HA PRO A 39 -10.957 -4.347 -5.939 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.810 -3.119 -4.201 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.536 -3.193 -3.910 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.912 -4.797 -2.545 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.448 -5.414 -3.119 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.686 -5.874 -4.252 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -9.016 -7.006 -4.106 1.00 50.00 H new ATOM 604 N ALA A 40 -10.161 -2.655 -7.458 1.00 50.00 N ATOM 605 CA ALA A 40 -9.716 -1.713 -8.478 1.00 50.00 C ATOM 606 C ALA A 40 -8.713 -0.717 -7.908 1.00 50.00 C ATOM 607 O ALA A 40 -7.685 -0.437 -8.525 1.00 50.00 O ATOM 608 CB ALA A 40 -10.907 -0.983 -9.081 1.00 50.00 C ATOM 0 H ALA A 40 -11.174 -2.724 -7.361 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.217 -2.279 -9.265 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.558 -0.283 -9.841 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.584 -1.706 -9.536 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.433 -0.436 -8.298 1.00 50.00 H new ATOM 614 N PHE A 41 -9.017 -0.188 -6.728 1.00 50.00 N ATOM 615 CA PHE A 41 -8.184 0.836 -6.111 1.00 50.00 C ATOM 616 C PHE A 41 -6.873 0.249 -5.606 1.00 50.00 C ATOM 617 O PHE A 41 -5.874 0.957 -5.475 1.00 50.00 O ATOM 618 CB PHE A 41 -8.934 1.514 -4.962 1.00 50.00 C ATOM 619 CG PHE A 41 -9.176 0.615 -3.783 1.00 50.00 C ATOM 620 CD1 PHE A 41 -8.217 0.477 -2.790 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.363 -0.091 -3.664 1.00 75.00 C ATOM 622 CE1 PHE A 41 -8.440 -0.348 -1.705 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.588 -0.916 -2.579 1.00 75.00 C ATOM 624 CZ PHE A 41 -9.625 -1.045 -1.599 1.00 75.00 C ATOM 0 H PHE A 41 -9.835 -0.452 -6.179 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.952 1.581 -6.872 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.366 2.384 -4.633 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -9.892 1.880 -5.331 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -7.287 1.020 -2.866 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -11.120 0.005 -4.428 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -7.685 -0.447 -0.939 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -11.517 -1.460 -2.498 1.00 75.00 H new ATOM 0 HZ PHE A 41 -9.799 -1.691 -0.751 1.00 75.00 H new ATOM 634 N ILE A 42 -6.880 -1.048 -5.324 1.00 50.00 N ATOM 635 CA ILE A 42 -5.651 -1.783 -5.058 1.00 50.00 C ATOM 636 C ILE A 42 -4.838 -1.975 -6.333 1.00 10.00 C ATOM 637 O ILE A 42 -3.607 -1.965 -6.304 1.00 50.00 O ATOM 638 CB ILE A 42 -5.938 -3.160 -4.431 1.00 50.00 C ATOM 639 CG1 ILE A 42 -6.503 -2.996 -3.017 1.00 50.00 C ATOM 640 CG2 ILE A 42 -4.675 -4.008 -4.408 1.00 50.00 C ATOM 641 CD1 ILE A 42 -5.552 -2.323 -2.055 1.00 50.00 C ATOM 0 H ILE A 42 -7.727 -1.614 -5.274 1.00 50.00 H new ATOM 0 HA ILE A 42 -5.076 -1.186 -4.350 1.00 50.00 H new ATOM 0 HB ILE A 42 -6.683 -3.670 -5.042 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -7.424 -2.415 -3.069 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -6.767 -3.978 -2.625 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.896 -4.978 -3.962 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -4.314 -4.151 -5.427 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.909 -3.504 -3.819 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -6.022 -2.242 -1.075 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -4.640 -2.914 -1.972 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -5.307 -1.327 -2.423 1.00 50.00 H new ATOM 653 N ASN A 43 -5.534 -2.151 -7.451 1.00 10.00 N ATOM 654 CA ASN A 43 -4.884 -2.239 -8.752 1.00 10.00 C ATOM 655 C ASN A 43 -4.168 -0.940 -9.100 1.00 10.00 C ATOM 656 O ASN A 43 -3.047 -0.953 -9.609 1.00 50.00 O ATOM 657 CB ASN A 43 -5.873 -2.600 -9.844 1.00 50.00 C ATOM 658 CG ASN A 43 -6.381 -4.013 -9.759 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.743 -4.887 -9.158 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.480 -4.260 -10.424 1.00 50.00 N ATOM 0 H ASN A 43 -6.550 -2.236 -7.481 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.143 -3.036 -8.687 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.720 -1.916 -9.795 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.399 -2.452 -10.814 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.849 -5.210 -10.464 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.968 -3.503 -10.902 1.00 50.00 H new ATOM 667 N ASP A 44 -4.821 0.182 -8.819 1.00 10.00 N ATOM 668 CA ASP A 44 -4.200 1.490 -8.983 1.00 10.00 C ATOM 669 C ASP A 44 -2.889 1.579 -8.210 1.00 10.00 C ATOM 670 O ASP A 44 -1.868 2.004 -8.750 1.00 50.00 O ATOM 671 CB ASP A 44 -5.154 2.598 -8.527 1.00 50.00 C ATOM 672 CG ASP A 44 -6.330 2.841 -9.463 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.301 2.339 -10.563 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.311 3.389 -9.022 1.00 50.00 O ATOM 0 H ASP A 44 -5.781 0.211 -8.476 1.00 10.00 H new ATOM 0 HA ASP A 44 -3.982 1.624 -10.042 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.538 2.346 -7.539 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.591 3.525 -8.423 1.00 50.00 H new ATOM 679 N ILE A 45 -2.926 1.174 -6.946 1.00 10.00 N ATOM 680 CA ILE A 45 -1.745 1.218 -6.093 1.00 10.00 C ATOM 681 C ILE A 45 -0.598 0.416 -6.699 1.00 10.00 C ATOM 682 O ILE A 45 0.544 0.873 -6.726 1.00 50.00 O ATOM 683 CB ILE A 45 -2.045 0.679 -4.683 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.974 1.638 -3.933 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.753 0.470 -3.907 1.00 50.00 C ATOM 686 CD1 ILE A 45 -3.518 1.074 -2.639 1.00 50.00 C ATOM 0 H ILE A 45 -3.762 0.811 -6.489 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.452 2.265 -6.016 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.547 -0.284 -4.779 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -2.433 2.559 -3.718 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.808 1.903 -4.582 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.984 0.089 -2.912 1.00 50.00 H new ATOM 0 HG22 ILE A 45 -0.124 -0.248 -4.434 1.00 50.00 H new ATOM 0 HG23 ILE A 45 -0.224 1.419 -3.818 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -4.167 1.811 -2.165 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -4.088 0.169 -2.848 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.691 0.836 -1.970 1.00 50.00 H new ATOM 698 N LEU A 46 -0.912 -0.778 -7.184 1.00 10.00 N ATOM 699 CA LEU A 46 0.079 -1.621 -7.843 1.00 10.00 C ATOM 700 C LEU A 46 0.684 -0.918 -9.052 1.00 10.00 C ATOM 701 O LEU A 46 1.878 -1.050 -9.325 1.00 50.00 O ATOM 702 CB LEU A 46 -0.553 -2.954 -8.262 1.00 50.00 C ATOM 703 CG LEU A 46 -0.952 -3.879 -7.105 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.709 -5.088 -7.640 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.294 -4.315 -6.349 1.00 50.00 C ATOM 0 H LEU A 46 -1.846 -1.186 -7.134 1.00 10.00 H new ATOM 0 HA LEU A 46 0.882 -1.818 -7.132 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.439 -2.745 -8.862 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.149 -3.485 -8.905 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.608 -3.342 -6.420 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.988 -5.739 -6.811 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.608 -4.754 -8.158 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.073 -5.637 -8.334 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.010 -4.972 -5.527 1.00 50.00 H new ATOM 0 HD22 LEU A 46 0.962 -4.848 -7.025 1.00 50.00 H new ATOM 0 HD23 LEU A 46 0.804 -3.438 -5.952 1.00 50.00 H new ATOM 717 N LYS A 47 -0.146 -0.173 -9.774 1.00 10.00 N ATOM 718 CA LYS A 47 0.283 0.475 -11.007 1.00 10.00 C ATOM 719 C LYS A 47 1.117 1.716 -10.715 1.00 10.00 C ATOM 720 O LYS A 47 1.839 2.210 -11.580 1.00 50.00 O ATOM 721 CB LYS A 47 -0.926 0.844 -11.866 1.00 50.00 C ATOM 722 CG LYS A 47 -1.647 -0.345 -12.484 1.00 50.00 C ATOM 723 CD LYS A 47 -2.850 0.099 -13.301 1.00 50.00 C ATOM 724 CE LYS A 47 -3.571 -1.090 -13.921 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.745 -0.669 -14.733 1.00 50.00 N ATOM 0 H LYS A 47 -1.121 -0.003 -9.526 1.00 10.00 H new ATOM 0 HA LYS A 47 0.905 -0.232 -11.557 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.633 1.404 -11.254 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.599 1.510 -12.665 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.958 -0.900 -13.121 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -1.971 -1.025 -11.696 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.540 0.653 -12.664 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.526 0.780 -14.088 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -2.877 -1.647 -14.550 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -3.900 -1.766 -13.132 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.207 -1.509 -15.137 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.420 -0.159 -14.128 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.429 -0.044 -15.502 1.00 50.00 H new ATOM 739 N VAL A 48 1.013 2.217 -9.487 1.00 10.00 N ATOM 740 CA VAL A 48 1.819 3.352 -9.053 1.00 10.00 C ATOM 741 C VAL A 48 3.306 3.043 -9.164 1.00 10.00 C ATOM 742 O VAL A 48 3.789 2.057 -8.611 1.00 50.00 O ATOM 743 CB VAL A 48 1.495 3.752 -7.602 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.487 4.789 -7.101 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.073 4.286 -7.501 1.00 50.00 C ATOM 0 H VAL A 48 0.378 1.854 -8.776 1.00 10.00 H new ATOM 0 HA VAL A 48 1.573 4.184 -9.713 1.00 10.00 H new ATOM 0 HB VAL A 48 1.577 2.864 -6.975 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.243 5.060 -6.074 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.495 4.376 -7.137 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.436 5.676 -7.732 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.139 4.564 -6.469 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.033 5.162 -8.141 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.629 3.515 -7.821 1.00 50.00 H new ATOM 755 N GLU A 49 4.028 3.897 -9.883 1.00 10.00 N ATOM 756 CA GLU A 49 5.463 3.715 -10.071 1.00 10.00 C ATOM 757 C GLU A 49 6.203 3.748 -8.741 1.00 10.00 C ATOM 758 O GLU A 49 6.062 4.694 -7.965 1.00 50.00 O ATOM 759 CB GLU A 49 6.019 4.787 -11.010 1.00 50.00 C ATOM 760 CG GLU A 49 7.494 4.620 -11.353 1.00 50.00 C ATOM 761 CD GLU A 49 7.955 5.680 -12.313 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.142 6.468 -12.736 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.138 5.774 -12.541 1.00 50.00 O ATOM 0 H GLU A 49 3.643 4.721 -10.345 1.00 10.00 H new ATOM 0 HA GLU A 49 5.618 2.734 -10.521 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.441 4.779 -11.934 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.874 5.765 -10.551 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.089 4.668 -10.441 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.659 3.635 -11.789 1.00 50.00 H new ATOM 770 N GLY A 50 6.992 2.712 -8.481 1.00 10.00 N ATOM 771 CA GLY A 50 7.806 2.652 -7.274 1.00 10.00 C ATOM 772 C GLY A 50 7.278 1.604 -6.305 1.00 10.00 C ATOM 773 O GLY A 50 8.010 1.112 -5.446 1.00 50.00 O ATOM 0 H GLY A 50 7.085 1.900 -9.092 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.837 2.419 -7.539 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.814 3.628 -6.789 1.00 10.00 H new ATOM 777 N VAL A 51 5.999 1.267 -6.444 1.00 10.00 N ATOM 778 CA VAL A 51 5.374 0.264 -5.591 1.00 10.00 C ATOM 779 C VAL A 51 5.785 -1.142 -6.003 1.00 10.00 C ATOM 780 O VAL A 51 5.623 -1.534 -7.159 1.00 50.00 O ATOM 781 CB VAL A 51 3.837 0.370 -5.627 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.206 -0.760 -4.829 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.383 1.718 -5.090 1.00 50.00 C ATOM 0 H VAL A 51 5.375 1.675 -7.140 1.00 10.00 H new ATOM 0 HA VAL A 51 5.719 0.457 -4.575 1.00 10.00 H new ATOM 0 HB VAL A 51 3.511 0.284 -6.663 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.120 -0.669 -4.865 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.505 -1.718 -5.256 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.540 -0.704 -3.793 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.295 1.775 -5.123 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.721 1.832 -4.060 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.807 2.515 -5.701 1.00 50.00 H new ATOM 793 N LYS A 52 6.318 -1.900 -5.051 1.00 10.00 N ATOM 794 CA LYS A 52 6.814 -3.243 -5.328 1.00 10.00 C ATOM 795 C LYS A 52 5.799 -4.302 -4.915 1.00 10.00 C ATOM 796 O LYS A 52 5.446 -5.180 -5.704 1.00 50.00 O ATOM 797 CB LYS A 52 8.143 -3.484 -4.610 1.00 50.00 C ATOM 798 CG LYS A 52 8.748 -4.860 -4.847 1.00 50.00 C ATOM 799 CD LYS A 52 10.075 -5.015 -4.121 1.00 50.00 C ATOM 800 CE LYS A 52 10.714 -6.364 -4.416 1.00 50.00 C ATOM 801 NZ LYS A 52 12.058 -6.492 -3.790 1.00 50.00 N ATOM 0 H LYS A 52 6.418 -1.607 -4.079 1.00 10.00 H new ATOM 0 HA LYS A 52 6.973 -3.322 -6.403 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.858 -2.727 -4.932 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.993 -3.347 -3.539 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.053 -5.628 -4.507 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.896 -5.015 -5.916 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.752 -4.216 -4.423 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.918 -4.912 -3.047 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.066 -7.160 -4.050 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.802 -6.496 -5.494 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.458 -7.425 -4.015 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.685 -5.748 -4.158 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.971 -6.392 -2.758 1.00 50.00 H new ATOM 815 N SER A 53 5.328 -4.212 -3.675 1.00 10.00 N ATOM 816 CA SER A 53 4.445 -5.228 -3.116 1.00 10.00 C ATOM 817 C SER A 53 3.444 -4.614 -2.146 1.00 10.00 C ATOM 818 O SER A 53 3.811 -3.822 -1.278 1.00 50.00 O ATOM 819 CB SER A 53 5.259 -6.303 -2.423 1.00 50.00 C ATOM 820 OG SER A 53 4.448 -7.290 -1.849 1.00 50.00 O ATOM 0 H SER A 53 5.544 -3.445 -3.038 1.00 10.00 H new ATOM 0 HA SER A 53 3.885 -5.679 -3.935 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.937 -6.764 -3.142 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.877 -5.847 -1.649 1.00 50.00 H new ATOM 0 HG SER A 53 5.011 -7.964 -1.414 1.00 50.00 H new ATOM 826 N ILE A 54 2.178 -4.983 -2.299 1.00 10.00 N ATOM 827 CA ILE A 54 1.138 -4.559 -1.369 1.00 10.00 C ATOM 828 C ILE A 54 0.586 -5.741 -0.584 1.00 10.00 C ATOM 829 O ILE A 54 0.021 -6.671 -1.159 1.00 50.00 O ATOM 830 CB ILE A 54 -0.020 -3.854 -2.099 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.500 -2.646 -2.883 1.00 50.00 C ATOM 832 CG2 ILE A 54 -1.093 -3.428 -1.109 1.00 50.00 C ATOM 833 CD1 ILE A 54 1.134 -1.583 -2.015 1.00 50.00 C ATOM 0 H ILE A 54 1.846 -5.576 -3.060 1.00 10.00 H new ATOM 0 HA ILE A 54 1.602 -3.854 -0.679 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.464 -4.557 -2.804 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.231 -2.987 -3.616 1.00 50.00 H new ATOM 0 HG13 ILE A 54 -0.326 -2.203 -3.439 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.904 -2.931 -1.642 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.482 -4.306 -0.594 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.663 -2.741 -0.380 1.00 50.00 H new ATOM 0 HD11 ILE A 54 1.478 -0.760 -2.641 1.00 50.00 H new ATOM 0 HD12 ILE A 54 0.400 -1.213 -1.299 1.00 50.00 H new ATOM 0 HD13 ILE A 54 1.981 -2.009 -1.478 1.00 50.00 H new ATOM 845 N PHE A 55 0.753 -5.699 0.733 1.00 10.00 N ATOM 846 CA PHE A 55 0.303 -6.784 1.597 1.00 10.00 C ATOM 847 C PHE A 55 -0.831 -6.329 2.506 1.00 10.00 C ATOM 848 O PHE A 55 -0.710 -5.329 3.214 1.00 50.00 O ATOM 849 CB PHE A 55 1.466 -7.319 2.433 1.00 50.00 C ATOM 850 CG PHE A 55 1.071 -8.399 3.401 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.690 -9.652 2.945 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.080 -8.163 4.767 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.326 -10.646 3.834 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.717 -9.155 5.658 1.00 50.00 C ATOM 855 CZ PHE A 55 0.340 -10.398 5.191 1.00 50.00 C ATOM 0 H PHE A 55 1.197 -4.924 1.226 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.072 -7.585 0.960 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.234 -7.707 1.764 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.913 -6.493 2.987 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.678 -9.853 1.884 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.374 -7.193 5.139 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.030 -11.617 3.466 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.728 -8.958 6.720 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.057 -11.174 5.886 1.00 50.00 H new ATOM 865 N HIS A 56 -1.934 -7.070 2.483 1.00 10.00 N ATOM 866 CA HIS A 56 -3.053 -6.805 3.381 1.00 10.00 C ATOM 867 C HIS A 56 -3.040 -7.756 4.572 1.00 10.00 C ATOM 868 O HIS A 56 -2.817 -8.957 4.417 1.00 50.00 O ATOM 869 CB HIS A 56 -4.385 -6.920 2.634 1.00 50.00 C ATOM 870 CG HIS A 56 -5.585 -6.841 3.525 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.555 -7.821 3.557 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.971 -5.899 4.419 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.486 -7.485 4.434 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.156 -6.324 4.968 1.00 50.00 N ATOM 0 H HIS A 56 -2.077 -7.859 1.852 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.944 -5.786 3.753 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.443 -6.126 1.890 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.407 -7.866 2.093 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.446 -4.986 4.655 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.367 -8.063 4.673 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.694 -5.823 5.675 1.00 50.00 H new ATOM 882 N VAL A 57 -3.282 -7.212 5.759 1.00 10.00 N ATOM 883 CA VAL A 57 -3.493 -8.029 6.947 1.00 10.00 C ATOM 884 C VAL A 57 -4.458 -7.355 7.915 1.00 10.00 C ATOM 885 O VAL A 57 -4.310 -6.175 8.232 1.00 50.00 O ATOM 886 CB VAL A 57 -2.168 -8.320 7.678 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.457 -7.020 8.027 1.00 50.00 C ATOM 888 CG2 VAL A 57 -2.420 -9.140 8.933 1.00 50.00 C ATOM 0 H VAL A 57 -3.337 -6.207 5.924 1.00 10.00 H new ATOM 0 HA VAL A 57 -3.923 -8.971 6.606 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.527 -8.898 7.012 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.523 -7.243 8.543 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.243 -6.466 7.113 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.095 -6.419 8.675 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.473 -9.336 9.436 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.079 -8.587 9.603 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -2.889 -10.086 8.662 1.00 50.00 H new ATOM 898 N MET A 58 -5.445 -8.112 8.381 1.00 10.00 N ATOM 899 CA MET A 58 -6.442 -7.586 9.306 1.00 10.00 C ATOM 900 C MET A 58 -7.110 -6.337 8.745 1.00 10.00 C ATOM 901 O MET A 58 -7.946 -6.419 7.846 1.00 50.00 O ATOM 902 CB MET A 58 -5.799 -7.280 10.657 1.00 50.00 C ATOM 903 CG MET A 58 -6.782 -6.876 11.746 1.00 50.00 C ATOM 904 SD MET A 58 -5.968 -6.474 13.304 1.00 75.00 S ATOM 905 CE MET A 58 -5.419 -8.096 13.827 1.00 75.00 C ATOM 0 H MET A 58 -5.576 -9.093 8.133 1.00 10.00 H new ATOM 0 HA MET A 58 -7.211 -8.347 9.442 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.248 -8.159 10.990 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.072 -6.479 10.526 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.358 -6.014 11.409 1.00 50.00 H new ATOM 0 HG3 MET A 58 -7.490 -7.688 11.910 1.00 50.00 H new ATOM 0 HE1 MET A 58 -5.106 -8.055 14.870 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.237 -8.809 13.721 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.579 -8.413 13.208 1.00 75.00 H new ATOM 915 N ASP A 59 -6.735 -5.180 9.281 1.00 10.00 N ATOM 916 CA ASP A 59 -7.340 -3.917 8.878 1.00 10.00 C ATOM 917 C ASP A 59 -6.284 -2.839 8.676 1.00 10.00 C ATOM 918 O ASP A 59 -6.533 -1.658 8.922 1.00 50.00 O ATOM 919 CB ASP A 59 -8.368 -3.459 9.917 1.00 50.00 C ATOM 920 CG ASP A 59 -7.788 -3.189 11.298 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.603 -3.364 11.469 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.493 -2.663 12.125 1.00 50.00 O ATOM 0 H ASP A 59 -6.014 -5.092 9.997 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.846 -4.079 7.927 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.852 -2.552 9.556 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.143 -4.221 10.004 1.00 50.00 H new ATOM 927 N PHE A 60 -5.103 -3.252 8.228 1.00 10.00 N ATOM 928 CA PHE A 60 -4.044 -2.311 7.882 1.00 10.00 C ATOM 929 C PHE A 60 -3.155 -2.867 6.777 1.00 10.00 C ATOM 930 O PHE A 60 -3.107 -4.076 6.553 1.00 50.00 O ATOM 931 CB PHE A 60 -3.204 -1.975 9.116 1.00 50.00 C ATOM 932 CG PHE A 60 -2.515 -3.164 9.721 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.183 -3.993 10.610 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.197 -3.458 9.404 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.553 -5.087 11.170 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.563 -4.552 9.962 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.240 -5.366 10.845 1.00 50.00 C ATOM 0 H PHE A 60 -4.855 -4.233 8.096 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.513 -1.398 7.515 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.454 -1.232 8.843 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.847 -1.517 9.868 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -4.210 -3.780 10.868 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.660 -2.825 8.713 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -3.086 -5.723 11.861 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.463 -4.769 9.706 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.744 -6.220 11.282 1.00 50.00 H new ATOM 947 N ILE A 61 -2.450 -1.975 6.088 1.00 10.00 N ATOM 948 CA ILE A 61 -1.726 -2.341 4.876 1.00 10.00 C ATOM 949 C ILE A 61 -0.223 -2.166 5.057 1.00 10.00 C ATOM 950 O ILE A 61 0.232 -1.162 5.606 1.00 50.00 O ATOM 951 CB ILE A 61 -2.189 -1.508 3.669 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.698 -1.658 3.463 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.435 -1.924 2.414 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.128 -3.056 3.086 1.00 50.00 C ATOM 0 H ILE A 61 -2.365 -0.993 6.349 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.945 -3.392 4.685 1.00 10.00 H new ATOM 0 HB ILE A 61 -1.971 -0.459 3.869 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.211 -1.365 4.379 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.019 -0.967 2.683 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.775 -1.324 1.570 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.367 -1.768 2.563 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.623 -2.978 2.209 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.210 -3.082 2.958 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -3.645 -3.346 2.153 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -3.840 -3.751 3.875 1.00 50.00 H new ATOM 966 N SER A 62 0.543 -3.147 4.593 1.00 10.00 N ATOM 967 CA SER A 62 1.988 -3.001 4.476 1.00 10.00 C ATOM 968 C SER A 62 2.393 -2.695 3.039 1.00 10.00 C ATOM 969 O SER A 62 2.270 -3.543 2.156 1.00 50.00 O ATOM 970 CB SER A 62 2.681 -4.256 4.965 1.00 50.00 C ATOM 971 OG SER A 62 4.071 -4.184 4.810 1.00 50.00 O ATOM 0 H SER A 62 0.186 -4.054 4.291 1.00 10.00 H new ATOM 0 HA SER A 62 2.298 -2.162 5.098 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.442 -4.416 6.016 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.300 -5.117 4.417 1.00 50.00 H new ATOM 0 HG SER A 62 4.480 -5.012 5.138 1.00 50.00 H new ATOM 977 N VAL A 63 2.881 -1.480 2.813 1.00 10.00 N ATOM 978 CA VAL A 63 3.247 -1.039 1.473 1.00 10.00 C ATOM 979 C VAL A 63 4.760 -1.032 1.289 1.00 10.00 C ATOM 980 O VAL A 63 5.470 -0.267 1.943 1.00 50.00 O ATOM 981 CB VAL A 63 2.697 0.367 1.171 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.136 0.824 -0.212 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.181 0.380 1.278 1.00 50.00 C ATOM 0 H VAL A 63 3.032 -0.783 3.542 1.00 10.00 H new ATOM 0 HA VAL A 63 2.803 -1.750 0.776 1.00 10.00 H new ATOM 0 HB VAL A 63 3.101 1.061 1.909 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.739 1.820 -0.409 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.225 0.852 -0.257 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.760 0.128 -0.962 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.810 1.382 1.061 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.760 -0.326 0.562 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.885 0.094 2.287 1.00 50.00 H new ATOM 993 N ASP A 64 5.246 -1.887 0.398 1.00 10.00 N ATOM 994 CA ASP A 64 6.680 -2.025 0.171 1.00 10.00 C ATOM 995 C ASP A 64 7.073 -1.503 -1.205 1.00 10.00 C ATOM 996 O ASP A 64 6.556 -1.962 -2.223 1.00 50.00 O ATOM 997 CB ASP A 64 7.109 -3.487 0.320 1.00 50.00 C ATOM 998 CG ASP A 64 8.608 -3.719 0.191 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.317 -2.772 -0.057 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.049 -4.801 0.495 1.00 50.00 O ATOM 0 H ASP A 64 4.668 -2.496 -0.180 1.00 10.00 H new ATOM 0 HA ASP A 64 7.194 -1.427 0.923 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.780 -3.852 1.293 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.595 -4.082 -0.435 1.00 50.00 H new ATOM 1005 N LYS A 65 7.990 -0.543 -1.228 1.00 10.00 N ATOM 1006 CA LYS A 65 8.418 0.077 -2.475 1.00 10.00 C ATOM 1007 C LYS A 65 9.738 -0.506 -2.957 1.00 10.00 C ATOM 1008 O LYS A 65 10.309 -1.388 -2.315 1.00 50.00 O ATOM 1009 CB LYS A 65 8.543 1.593 -2.304 1.00 50.00 C ATOM 1010 CG LYS A 65 9.680 2.030 -1.390 1.00 50.00 C ATOM 1011 CD LYS A 65 9.955 3.520 -1.522 1.00 50.00 C ATOM 1012 CE LYS A 65 11.046 3.970 -0.561 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.382 3.443 -0.949 1.00 50.00 N ATOM 0 H LYS A 65 8.452 -0.177 -0.395 1.00 10.00 H new ATOM 0 HA LYS A 65 7.659 -0.133 -3.229 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.686 2.047 -3.285 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.605 1.981 -1.908 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.429 1.795 -0.356 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.582 1.469 -1.634 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.253 3.747 -2.546 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.041 4.079 -1.325 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.079 5.059 -0.535 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.802 3.634 0.447 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.081 3.702 -0.224 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.336 2.407 -1.032 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.664 3.851 -1.863 1.00 50.00 H new ATOM 1027 N GLU A 66 10.222 -0.009 -4.091 1.00 10.00 N ATOM 1028 CA GLU A 66 11.584 -0.284 -4.530 1.00 10.00 C ATOM 1029 C GLU A 66 12.592 0.554 -3.756 1.00 10.00 C ATOM 1030 O GLU A 66 12.318 1.701 -3.402 1.00 50.00 O ATOM 1031 CB GLU A 66 11.727 -0.027 -6.031 1.00 50.00 C ATOM 1032 CG GLU A 66 10.907 -0.958 -6.911 1.00 50.00 C ATOM 1033 CD GLU A 66 11.133 -0.675 -8.369 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.851 0.248 -8.671 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.682 -1.446 -9.181 1.00 50.00 O ATOM 0 H GLU A 66 9.689 0.588 -4.723 1.00 10.00 H new ATOM 0 HA GLU A 66 11.791 -1.335 -4.331 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.434 1.002 -6.240 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.778 -0.121 -6.304 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.172 -1.993 -6.694 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.849 -0.844 -6.677 1.00 50.00 H new ATOM 1042 N ASN A 67 13.761 -0.024 -3.495 1.00 10.00 N ATOM 1043 CA ASN A 67 14.791 0.650 -2.714 1.00 10.00 C ATOM 1044 C ASN A 67 15.286 1.905 -3.422 1.00 10.00 C ATOM 1045 O ASN A 67 15.603 2.907 -2.780 1.00 50.00 O ATOM 1046 CB ASN A 67 15.955 -0.275 -2.416 1.00 50.00 C ATOM 1047 CG ASN A 67 17.012 0.340 -1.544 1.00 50.00 C ATOM 1048 OD1 ASN A 67 18.138 0.598 -1.984 1.00 50.00 O ATOM 1049 ND2 ASN A 67 16.683 0.503 -0.287 1.00 50.00 N ATOM 0 H ASN A 67 14.018 -0.958 -3.814 1.00 10.00 H new ATOM 0 HA ASN A 67 14.337 0.943 -1.767 1.00 10.00 H new ATOM 0 HB2 ASN A 67 15.577 -1.175 -1.932 1.00 50.00 H new ATOM 0 HB3 ASN A 67 16.409 -0.586 -3.357 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.370 0.858 0.378 1.00 50.00 H new ATOM 0 HD22 ASN A 67 15.740 0.275 0.027 1.00 50.00 H new ATOM 1056 N ASP A 68 15.349 1.845 -4.748 1.00 10.00 N ATOM 1057 CA ASP A 68 15.771 2.989 -5.548 1.00 10.00 C ATOM 1058 C ASP A 68 14.741 4.109 -5.494 1.00 10.00 C ATOM 1059 O ASP A 68 15.093 5.285 -5.397 1.00 50.00 O ATOM 1060 CB ASP A 68 16.014 2.568 -6.999 1.00 50.00 C ATOM 1061 CG ASP A 68 17.275 1.740 -7.213 1.00 50.00 C ATOM 1062 OD1 ASP A 68 18.084 1.685 -6.316 1.00 50.00 O ATOM 1063 OD2 ASP A 68 17.347 1.046 -8.197 1.00 50.00 O ATOM 0 H ASP A 68 15.113 1.015 -5.292 1.00 10.00 H new ATOM 0 HA ASP A 68 16.704 3.364 -5.127 1.00 10.00 H new ATOM 0 HB2 ASP A 68 15.155 1.995 -7.347 1.00 50.00 H new ATOM 0 HB3 ASP A 68 16.072 3.463 -7.619 1.00 50.00 H new ATOM 1068 N ALA A 69 13.468 3.738 -5.555 1.00 10.00 N ATOM 1069 CA ALA A 69 12.382 4.711 -5.499 1.00 10.00 C ATOM 1070 C ALA A 69 12.345 5.416 -4.150 1.00 10.00 C ATOM 1071 O ALA A 69 13.009 4.999 -3.202 1.00 50.00 O ATOM 1072 CB ALA A 69 11.049 4.033 -5.784 1.00 50.00 C ATOM 0 H ALA A 69 13.161 2.769 -5.643 1.00 10.00 H new ATOM 0 HA ALA A 69 12.563 5.464 -6.266 1.00 10.00 H new ATOM 0 HB1 ALA A 69 10.248 4.771 -5.739 1.00 50.00 H new ATOM 0 HB2 ALA A 69 11.074 3.585 -6.777 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.869 3.257 -5.040 1.00 50.00 H new ATOM 1078 N ASN A 70 11.563 6.488 -4.070 1.00 10.00 N ATOM 1079 CA ASN A 70 11.435 7.252 -2.836 1.00 10.00 C ATOM 1080 C ASN A 70 9.978 7.353 -2.399 1.00 10.00 C ATOM 1081 O ASN A 70 9.068 7.304 -3.226 1.00 50.00 O ATOM 1082 CB ASN A 70 12.037 8.638 -2.974 1.00 50.00 C ATOM 1083 CG ASN A 70 13.516 8.629 -3.250 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.328 8.278 -2.387 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.874 9.093 -4.422 1.00 50.00 N ATOM 0 H ASN A 70 11.008 6.847 -4.847 1.00 10.00 H new ATOM 0 HA ASN A 70 11.991 6.715 -2.068 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.529 9.167 -3.780 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.850 9.199 -2.058 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.863 9.178 -4.656 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.164 9.369 -5.100 1.00 50.00 H new ATOM 1092 N TRP A 71 9.766 7.494 -1.095 1.00 10.00 N ATOM 1093 CA TRP A 71 8.423 7.667 -0.553 1.00 10.00 C ATOM 1094 C TRP A 71 7.858 9.037 -0.908 1.00 10.00 C ATOM 1095 O TRP A 71 6.643 9.232 -0.924 1.00 50.00 O ATOM 1096 CB TRP A 71 8.433 7.480 0.964 1.00 50.00 C ATOM 1097 CG TRP A 71 8.567 6.050 1.390 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.551 5.521 2.170 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.688 4.967 1.063 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.343 4.175 2.347 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.202 3.811 1.676 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.512 4.864 0.309 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.590 2.573 1.561 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.898 3.623 0.193 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.421 2.511 0.803 1.00 50.00 C ATOM 0 H TRP A 71 10.507 7.492 -0.394 1.00 10.00 H new ATOM 0 HA TRP A 71 7.781 6.908 -1.000 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.256 8.055 1.387 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.512 7.889 1.378 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.375 6.079 2.589 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.939 3.548 2.888 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.090 5.733 -0.173 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 8.000 1.695 2.037 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.992 3.532 -0.388 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.915 1.563 0.693 1.00 50.00 H new ATOM 1116 N GLU A 72 8.746 9.983 -1.188 1.00 10.00 N ATOM 1117 CA GLU A 72 8.338 11.315 -1.616 1.00 10.00 C ATOM 1118 C GLU A 72 7.394 11.246 -2.809 1.00 10.00 C ATOM 1119 O GLU A 72 6.423 11.998 -2.890 1.00 50.00 O ATOM 1120 CB GLU A 72 9.562 12.166 -1.964 1.00 50.00 C ATOM 1121 CG GLU A 72 9.238 13.594 -2.380 1.00 50.00 C ATOM 1122 CD GLU A 72 10.490 14.381 -2.651 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.557 13.837 -2.492 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.382 15.487 -3.124 1.00 75.00 O ATOM 0 H GLU A 72 9.756 9.852 -1.126 1.00 10.00 H new ATOM 0 HA GLU A 72 7.806 11.782 -0.787 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.227 12.194 -1.101 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.109 11.680 -2.772 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.613 13.582 -3.273 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.662 14.082 -1.594 1.00 50.00 H new ATOM 1131 N THR A 73 7.683 10.337 -3.734 1.00 10.00 N ATOM 1132 CA THR A 73 6.819 10.116 -4.888 1.00 10.00 C ATOM 1133 C THR A 73 5.709 9.125 -4.562 1.00 10.00 C ATOM 1134 O THR A 73 4.533 9.391 -4.812 1.00 50.00 O ATOM 1135 CB THR A 73 7.616 9.598 -6.100 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.599 10.569 -6.480 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.687 9.335 -7.274 1.00 50.00 C ATOM 0 H THR A 73 8.510 9.741 -3.707 1.00 10.00 H new ATOM 0 HA THR A 73 6.379 11.081 -5.140 1.00 10.00 H new ATOM 0 HB THR A 73 8.107 8.665 -5.822 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.106 10.237 -7.250 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.267 8.970 -8.122 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.946 8.587 -6.991 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.181 10.260 -7.552 1.00 50.00 H new ATOM 1145 N VAL A 74 6.089 7.983 -4.000 1.00 10.00 N ATOM 1146 CA VAL A 74 5.184 6.843 -3.894 1.00 10.00 C ATOM 1147 C VAL A 74 4.060 7.124 -2.906 1.00 10.00 C ATOM 1148 O VAL A 74 2.884 6.928 -3.217 1.00 50.00 O ATOM 1149 CB VAL A 74 5.930 5.568 -3.458 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.943 4.446 -3.172 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.925 5.142 -4.528 1.00 50.00 C ATOM 0 H VAL A 74 7.018 7.821 -3.610 1.00 10.00 H new ATOM 0 HA VAL A 74 4.761 6.684 -4.886 1.00 10.00 H new ATOM 0 HB VAL A 74 6.480 5.785 -2.542 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.487 3.552 -2.865 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.267 4.751 -2.374 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.368 4.229 -4.072 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.444 4.240 -4.204 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.395 4.941 -5.459 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.650 5.940 -4.688 1.00 50.00 H new ATOM 1161 N LEU A 75 4.425 7.585 -1.715 1.00 10.00 N ATOM 1162 CA LEU A 75 3.536 7.518 -0.561 1.00 10.00 C ATOM 1163 C LEU A 75 2.298 8.378 -0.771 1.00 50.00 C ATOM 1164 O LEU A 75 1.176 7.945 -0.500 1.00 50.00 O ATOM 1165 CB LEU A 75 4.280 7.955 0.706 1.00 50.00 C ATOM 1166 CG LEU A 75 3.534 7.699 2.022 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.308 6.205 2.212 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.333 8.275 3.181 1.00 50.00 C ATOM 0 H LEU A 75 5.332 8.010 -1.523 1.00 10.00 H new ATOM 0 HA LEU A 75 3.211 6.484 -0.442 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.238 7.436 0.743 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.497 9.020 0.631 1.00 50.00 H new ATOM 0 HG LEU A 75 2.561 8.190 1.989 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.778 6.033 3.149 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.715 5.818 1.383 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.269 5.692 2.240 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.802 8.093 4.115 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.312 7.798 3.221 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.458 9.348 3.039 1.00 50.00 H new ATOM 1180 N PRO A 76 2.503 9.596 -1.257 1.00 50.00 N ATOM 1181 CA PRO A 76 1.400 10.502 -1.550 1.00 50.00 C ATOM 1182 C PRO A 76 0.345 9.823 -2.415 1.00 50.00 C ATOM 1183 O PRO A 76 -0.853 9.954 -2.166 1.00 50.00 O ATOM 1184 CB PRO A 76 2.064 11.681 -2.271 1.00 50.00 C ATOM 1185 CG PRO A 76 3.450 11.718 -1.724 1.00 50.00 C ATOM 1186 CD PRO A 76 3.847 10.276 -1.549 1.00 50.00 C ATOM 0 HA PRO A 76 0.867 10.821 -0.654 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.067 11.535 -3.351 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.535 12.614 -2.077 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.128 12.233 -2.405 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.484 12.253 -0.775 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.320 9.873 -2.445 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.554 10.146 -0.730 1.00 50.00 H new ATOM 1194 N LYS A 77 0.799 9.098 -3.431 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.107 8.475 -4.390 1.00 50.00 C ATOM 1196 C LYS A 77 -0.879 7.327 -3.754 1.00 50.00 C ATOM 1197 O LYS A 77 -2.100 7.235 -3.893 1.00 50.00 O ATOM 1198 CB LYS A 77 0.670 7.974 -5.610 1.00 50.00 C ATOM 1199 CG LYS A 77 1.243 9.077 -6.489 1.00 50.00 C ATOM 1200 CD LYS A 77 2.006 8.503 -7.672 1.00 50.00 C ATOM 1201 CE LYS A 77 2.617 9.605 -8.526 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.361 9.057 -9.691 1.00 50.00 N ATOM 0 H LYS A 77 1.788 8.927 -3.612 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.824 9.230 -4.711 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.486 7.337 -5.269 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.011 7.351 -6.214 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.435 9.714 -6.849 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.907 9.708 -5.898 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.793 7.841 -7.312 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.334 7.898 -8.281 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.829 10.270 -8.879 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.291 10.206 -7.915 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.761 9.840 -10.247 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.130 8.443 -9.354 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.713 8.505 -10.288 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.164 6.452 -3.056 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.783 5.316 -2.386 1.00 50.00 C ATOM 1218 C VAL A 78 -1.719 5.775 -1.275 1.00 50.00 C ATOM 1219 O VAL A 78 -2.836 5.276 -1.146 1.00 50.00 O ATOM 1220 CB VAL A 78 0.273 4.364 -1.792 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.397 3.264 -0.983 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.130 3.765 -2.897 1.00 50.00 C ATOM 0 H VAL A 78 0.848 6.509 -2.940 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.356 4.781 -3.143 1.00 50.00 H new ATOM 0 HB VAL A 78 0.919 4.937 -1.126 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.364 2.601 -0.571 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -0.970 3.708 -0.169 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.065 2.693 -1.628 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.871 3.095 -2.460 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.497 3.206 -3.586 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.637 4.564 -3.437 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.257 6.729 -0.475 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.079 7.312 0.577 1.00 50.00 C ATOM 1234 C GLU A 79 -3.394 7.842 0.021 1.00 50.00 C ATOM 1235 O GLU A 79 -4.457 7.628 0.602 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.319 8.434 1.291 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.122 9.145 2.371 1.00 50.00 C ATOM 1238 CD GLU A 79 -1.312 10.232 3.024 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.173 10.399 2.660 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -1.866 10.969 3.807 1.00 50.00 O ATOM 0 H GLU A 79 -0.315 7.116 -0.536 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.307 6.525 1.296 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.417 8.018 1.740 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -0.998 9.167 0.551 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.025 9.573 1.935 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -2.442 8.424 3.124 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.314 8.534 -1.109 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.497 9.111 -1.740 1.00 50.00 C ATOM 1249 C ALA A 80 -5.559 8.049 -1.990 1.00 50.00 C ATOM 1250 O ALA A 80 -6.754 8.307 -1.841 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.118 9.806 -3.040 1.00 50.00 C ATOM 0 H ALA A 80 -2.442 8.710 -1.608 1.00 50.00 H new ATOM 0 HA ALA A 80 -4.918 9.851 -1.059 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.011 10.231 -3.499 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.403 10.602 -2.832 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.669 9.083 -3.721 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.117 6.858 -2.374 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.033 5.764 -2.679 1.00 50.00 C ATOM 1259 C VAL A 81 -6.863 5.382 -1.461 1.00 50.00 C ATOM 1260 O VAL A 81 -8.053 5.090 -1.576 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.278 4.520 -3.183 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.226 3.335 -3.308 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.609 4.806 -4.518 1.00 50.00 C ATOM 0 H VAL A 81 -4.130 6.624 -2.482 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.696 6.121 -3.467 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.505 4.270 -2.456 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.675 2.465 -3.665 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.662 3.114 -2.334 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -7.020 3.577 -4.014 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -4.080 3.916 -4.858 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -5.366 5.082 -5.253 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.901 5.626 -4.402 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.230 5.388 -0.294 1.00 50.00 N ATOM 1274 CA PHE A 82 -6.908 5.035 0.947 1.00 50.00 C ATOM 1275 C PHE A 82 -7.735 6.200 1.473 1.00 50.00 C ATOM 1276 O PHE A 82 -8.319 6.121 2.554 1.00 50.00 O ATOM 1277 CB PHE A 82 -5.892 4.591 2.002 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.129 3.354 1.625 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.785 2.147 1.435 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -3.752 3.392 1.462 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.086 1.008 1.091 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.050 2.254 1.116 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.715 1.062 0.931 1.00 50.00 C ATOM 0 H PHE A 82 -5.247 5.634 -0.181 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.584 4.207 0.735 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.186 5.403 2.178 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.413 4.413 2.943 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.857 2.098 1.558 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.223 4.322 1.607 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.610 0.075 0.947 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -1.978 2.299 0.990 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.166 0.172 0.662 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.782 7.282 0.703 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.682 8.392 0.995 1.00 50.00 C ATOM 1295 C GLU A 83 -9.907 8.362 0.092 1.00 50.00 C ATOM 1296 O GLU A 83 -10.701 9.301 0.076 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.950 9.728 0.844 1.00 50.00 C ATOM 1298 CG GLU A 83 -6.833 9.951 1.855 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.164 11.280 1.645 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.596 12.013 0.788 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -5.293 11.613 2.414 1.00 75.00 O ATOM 0 H GLU A 83 -7.207 7.414 -0.129 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.018 8.286 2.027 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.531 9.788 -0.161 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.674 10.538 0.936 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.239 9.901 2.865 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.096 9.153 1.768 1.00 50.00 H new