USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 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 12 HIS : no HD1:sc= -0.341 K(o=2.2,f=-2.4!) USER MOD Set 1.2: A 13 ASN : amide:sc= 1.02 K(o=2.2,f=-8!) USER MOD Set 1.3: A 65 LYS NZ :NH3+ 142:sc= 1.54 (180deg=0.974) USER MOD Set 2.1: A 14 THR OG1 : rot -152:sc= 0.00541 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0.00505 USER MOD Set 3.1: A 38 GLN : amide:sc= 0.811 K(o=2.4,f=0.78) USER MOD Set 3.2: A 43 ASN : amide:sc= 1.55 K(o=2.4,f=-4.2!) USER MOD Set 4.1: A 27 THR OG1 : rot 18:sc= 0.0327 USER MOD Set 4.2: A 56 HIS : no HD1:sc= 0.327 K(o=0.36,f=-2.6!) USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= 0.759 (180deg=0.22) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.312 USER MOD Single : A 11 ASN : amide:sc= -0.809 K(o=-0.81,f=-6!) USER MOD Single : A 15 MET CE :methyl -164:sc= -0.593 (180deg=-1.1) 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 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -73:sc= 0.896 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= -0.0144 USER MOD Single : A 58 MET CE :methyl -174:sc= -0.0803 (180deg=-0.204) USER MOD Single : A 67 ASN : amide:sc= -0.0125 K(o=-0.013,f=-1.3!) USER MOD Single : A 70 ASN : amide:sc= -0.0095 X(o=-0.0095,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 -10.248 3.289 4.192 1.00 50.00 N ATOM 21 CA LYS A 2 -9.919 4.637 4.644 1.00 50.00 C ATOM 22 C LYS A 2 -8.781 4.617 5.655 1.00 50.00 C ATOM 23 O LYS A 2 -8.715 3.737 6.514 1.00 50.00 O ATOM 24 CB LYS A 2 -11.150 5.313 5.250 1.00 50.00 C ATOM 25 CG LYS A 2 -10.988 6.805 5.505 1.00 50.00 C ATOM 26 CD LYS A 2 -12.254 7.409 6.094 1.00 50.00 C ATOM 27 CE LYS A 2 -12.177 8.927 6.138 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.035 9.518 4.779 1.00 75.00 N ATOM 0 HA LYS A 2 -9.592 5.209 3.776 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -11.998 5.161 4.582 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.393 4.820 6.191 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.153 6.971 6.186 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.742 7.311 4.571 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.115 7.104 5.499 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.409 7.022 7.101 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -13.075 9.322 6.613 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.331 9.229 6.755 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.288 10.526 4.811 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -11.051 9.418 4.458 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -12.667 9.023 4.117 1.00 75.00 H new ATOM 42 N ILE A 3 -7.884 5.592 5.548 1.00 50.00 N ATOM 43 CA ILE A 3 -6.683 5.621 6.375 1.00 50.00 C ATOM 44 C ILE A 3 -6.873 6.526 7.587 1.00 50.00 C ATOM 45 O ILE A 3 -7.468 7.597 7.487 1.00 50.00 O ATOM 46 CB ILE A 3 -5.459 6.102 5.575 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.139 5.118 4.446 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.257 6.272 6.493 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.012 5.567 3.545 1.00 50.00 C ATOM 0 H ILE A 3 -7.966 6.373 4.897 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.507 4.599 6.711 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.693 7.070 5.132 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.881 4.152 4.881 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.035 4.967 3.844 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.400 6.612 5.911 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.488 7.008 7.263 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.020 5.317 6.963 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -3.845 4.818 2.771 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.274 6.517 3.080 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.103 5.690 4.133 1.00 50.00 H new ATOM 61 N ILE A 4 -6.363 6.084 8.732 1.00 10.00 N ATOM 62 CA ILE A 4 -6.270 6.939 9.909 1.00 10.00 C ATOM 63 C ILE A 4 -4.914 7.628 9.985 1.00 10.00 C ATOM 64 O ILE A 4 -4.834 8.851 10.111 1.00 50.00 O ATOM 65 CB ILE A 4 -6.505 6.143 11.206 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.931 5.588 11.241 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.240 7.017 12.422 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.185 4.628 12.382 1.00 50.00 C ATOM 0 H ILE A 4 -6.008 5.138 8.869 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.051 7.693 9.811 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.809 5.304 11.229 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.633 6.419 11.315 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.136 5.080 10.299 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.411 6.439 13.330 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.207 7.365 12.402 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -6.912 7.875 12.407 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.216 4.278 12.340 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.509 3.777 12.299 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.013 5.137 13.331 1.00 50.00 H new ATOM 80 N SER A 5 -3.849 6.837 9.908 1.00 10.00 N ATOM 81 CA SER A 5 -2.494 7.374 9.906 1.00 10.00 C ATOM 82 C SER A 5 -1.512 6.391 9.285 1.00 10.00 C ATOM 83 O SER A 5 -1.768 5.187 9.241 1.00 50.00 O ATOM 84 CB SER A 5 -2.068 7.724 11.318 1.00 50.00 C ATOM 85 OG SER A 5 -1.931 6.587 12.124 1.00 50.00 O ATOM 0 H SER A 5 -3.899 5.820 9.846 1.00 10.00 H new ATOM 0 HA SER A 5 -2.490 8.280 9.299 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.121 8.262 11.287 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.803 8.396 11.762 1.00 50.00 H new ATOM 0 HG SER A 5 -1.654 6.856 13.025 1.00 50.00 H new ATOM 91 N ILE A 6 -0.387 6.907 8.804 1.00 10.00 N ATOM 92 CA ILE A 6 0.658 6.069 8.228 1.00 10.00 C ATOM 93 C ILE A 6 1.967 6.215 8.993 1.00 10.00 C ATOM 94 O ILE A 6 2.486 7.321 9.146 1.00 50.00 O ATOM 95 CB ILE A 6 0.900 6.407 6.745 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.392 6.239 5.942 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.005 5.532 6.175 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.267 6.649 4.492 1.00 50.00 C ATOM 0 H ILE A 6 -0.175 7.905 8.802 1.00 10.00 H new ATOM 0 HA ILE A 6 0.311 5.039 8.304 1.00 10.00 H new ATOM 0 HB ILE A 6 1.216 7.448 6.672 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.705 5.196 5.989 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.179 6.830 6.410 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.164 5.783 5.126 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.927 5.701 6.732 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.718 4.484 6.257 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.222 6.501 3.989 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.015 7.700 4.434 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.497 6.041 4.007 1.00 50.00 H new ATOM 110 N SER A 7 2.493 5.095 9.474 1.00 10.00 N ATOM 111 CA SER A 7 3.705 5.105 10.285 1.00 10.00 C ATOM 112 C SER A 7 4.825 4.323 9.609 1.00 10.00 C ATOM 113 O SER A 7 4.595 3.607 8.636 1.00 50.00 O ATOM 114 CB SER A 7 3.418 4.535 11.660 1.00 50.00 C ATOM 115 OG SER A 7 3.087 3.175 11.609 1.00 50.00 O ATOM 0 H SER A 7 2.099 4.167 9.316 1.00 10.00 H new ATOM 0 HA SER A 7 4.034 6.139 10.392 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.291 4.671 12.298 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.599 5.090 12.118 1.00 50.00 H new ATOM 0 HG SER A 7 2.911 2.847 12.516 1.00 50.00 H new ATOM 121 N GLU A 8 6.037 4.465 10.134 1.00 10.00 N ATOM 122 CA GLU A 8 7.191 3.750 9.602 1.00 50.00 C ATOM 123 C GLU A 8 7.330 2.374 10.240 1.00 10.00 C ATOM 124 O GLU A 8 6.655 2.063 11.221 1.00 50.00 O ATOM 125 CB GLU A 8 8.470 4.562 9.816 1.00 50.00 C ATOM 126 CG GLU A 8 8.512 5.882 9.059 1.00 50.00 C ATOM 127 CD GLU A 8 9.789 6.625 9.327 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.547 6.186 10.159 1.00 50.00 O ATOM 129 OE2 GLU A 8 10.065 7.568 8.622 1.00 50.00 O ATOM 0 H GLU A 8 6.246 5.070 10.929 1.00 10.00 H new ATOM 0 HA GLU A 8 7.034 3.614 8.532 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.583 4.764 10.881 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.325 3.957 9.514 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.416 5.693 7.990 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.662 6.498 9.351 1.00 50.00 H new ATOM 136 N THR A 9 8.212 1.553 9.678 1.00 50.00 N ATOM 137 CA THR A 9 8.444 0.209 10.195 1.00 10.00 C ATOM 138 C THR A 9 9.931 -0.059 10.388 1.00 10.00 C ATOM 139 O THR A 9 10.774 0.619 9.800 1.00 50.00 O ATOM 140 CB THR A 9 7.856 -0.863 9.259 1.00 50.00 C ATOM 141 OG1 THR A 9 8.560 -0.847 8.009 1.00 50.00 O ATOM 142 CG2 THR A 9 6.380 -0.602 9.008 1.00 50.00 C ATOM 0 H THR A 9 8.778 1.795 8.865 1.00 50.00 H new ATOM 0 HA THR A 9 7.941 0.152 11.160 1.00 10.00 H new ATOM 0 HB THR A 9 7.965 -1.838 9.734 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.103 -0.247 7.384 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.982 -1.370 8.344 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.840 -0.625 9.955 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.257 0.377 8.545 1.00 50.00 H new ATOM 150 N PRO A 10 10.247 -1.049 11.213 1.00 50.00 N ATOM 151 CA PRO A 10 11.632 -1.440 11.447 1.00 50.00 C ATOM 152 C PRO A 10 12.342 -1.758 10.139 1.00 50.00 C ATOM 153 O PRO A 10 13.539 -1.510 9.995 1.00 50.00 O ATOM 154 CB PRO A 10 11.525 -2.666 12.359 1.00 50.00 C ATOM 155 CG PRO A 10 10.212 -2.507 13.044 1.00 50.00 C ATOM 156 CD PRO A 10 9.307 -1.859 12.030 1.00 50.00 C ATOM 0 HA PRO A 10 12.225 -0.646 11.902 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.564 -3.592 11.785 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.345 -2.700 13.076 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.817 -3.471 13.364 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.307 -1.889 13.937 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.782 -2.599 11.426 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.547 -1.238 12.505 1.00 50.00 H new ATOM 164 N ASN A 11 11.598 -2.309 9.185 1.00 50.00 N ATOM 165 CA ASN A 11 12.135 -2.584 7.858 1.00 50.00 C ATOM 166 C ASN A 11 11.873 -1.423 6.907 1.00 50.00 C ATOM 167 O ASN A 11 10.728 -1.139 6.559 1.00 50.00 O ATOM 168 CB ASN A 11 11.566 -3.869 7.286 1.00 50.00 C ATOM 169 CG ASN A 11 12.191 -4.279 5.980 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.785 -3.460 5.270 1.00 75.00 O ATOM 171 ND2 ASN A 11 11.990 -5.521 5.623 1.00 50.00 N ATOM 0 H ASN A 11 10.621 -2.574 9.307 1.00 50.00 H new ATOM 0 HA ASN A 11 13.213 -2.706 7.965 1.00 50.00 H new ATOM 0 HB2 ASN A 11 11.703 -4.671 8.012 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.492 -3.748 7.143 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.330 -5.854 4.721 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.493 -6.157 6.247 1.00 50.00 H new ATOM 178 N HIS A 12 12.943 -0.756 6.489 1.00 50.00 N ATOM 179 CA HIS A 12 12.827 0.423 5.639 1.00 50.00 C ATOM 180 C HIS A 12 12.360 0.048 4.238 1.00 50.00 C ATOM 181 O HIS A 12 12.528 -1.090 3.801 1.00 50.00 O ATOM 182 CB HIS A 12 14.162 1.171 5.564 1.00 50.00 C ATOM 183 CG HIS A 12 14.060 2.521 4.924 1.00 50.00 C ATOM 184 ND1 HIS A 12 14.192 2.711 3.565 1.00 75.00 N ATOM 185 CD2 HIS A 12 13.842 3.745 5.457 1.00 50.00 C ATOM 186 CE1 HIS A 12 14.057 3.998 3.290 1.00 75.00 C ATOM 187 NE2 HIS A 12 13.844 4.645 4.421 1.00 75.00 N ATOM 0 H HIS A 12 13.902 -1.012 6.725 1.00 50.00 H new ATOM 0 HA HIS A 12 12.080 1.079 6.086 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.561 1.286 6.572 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.876 0.567 5.005 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.694 3.972 6.503 1.00 50.00 H new ATOM 0 HE1 HIS A 12 14.112 4.443 2.308 1.00 75.00 H new ATOM 0 HE2 HIS A 12 13.704 5.651 4.510 1.00 75.00 H new ATOM 195 N ASN A 13 11.772 1.013 3.538 1.00 10.00 N ATOM 196 CA ASN A 13 11.272 0.784 2.187 1.00 10.00 C ATOM 197 C ASN A 13 9.914 0.095 2.213 1.00 10.00 C ATOM 198 O ASN A 13 9.429 -0.378 1.186 1.00 50.00 O ATOM 199 CB ASN A 13 12.256 -0.026 1.361 1.00 50.00 C ATOM 200 CG ASN A 13 13.576 0.661 1.149 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.643 1.766 0.599 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.633 -0.023 1.507 1.00 50.00 N ATOM 0 H ASN A 13 11.630 1.962 3.884 1.00 10.00 H new ATOM 0 HA ASN A 13 11.155 1.760 1.716 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.429 -0.983 1.854 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.810 -0.244 0.391 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.566 0.352 1.335 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.524 -0.931 1.958 1.00 50.00 H new ATOM 209 N THR A 14 9.304 0.043 3.392 1.00 10.00 N ATOM 210 CA THR A 14 7.897 -0.319 3.512 1.00 10.00 C ATOM 211 C THR A 14 7.233 0.421 4.665 1.00 10.00 C ATOM 212 O THR A 14 7.834 0.609 5.722 1.00 50.00 O ATOM 213 CB THR A 14 7.721 -1.835 3.721 1.00 50.00 C ATOM 214 OG1 THR A 14 6.331 -2.137 3.899 1.00 50.00 O ATOM 215 CG2 THR A 14 8.497 -2.298 4.944 1.00 50.00 C ATOM 0 H THR A 14 9.763 0.247 4.280 1.00 10.00 H new ATOM 0 HA THR A 14 7.418 -0.031 2.576 1.00 10.00 H new ATOM 0 HB THR A 14 8.103 -2.355 2.842 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.239 -2.940 4.453 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.361 -3.371 5.076 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.556 -2.081 4.807 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.131 -1.774 5.827 1.00 50.00 H new ATOM 223 N MET A 15 5.991 0.841 4.453 1.00 10.00 N ATOM 224 CA MET A 15 5.279 1.651 5.436 1.00 10.00 C ATOM 225 C MET A 15 4.069 0.908 5.987 1.00 10.00 C ATOM 226 O MET A 15 3.498 0.047 5.317 1.00 50.00 O ATOM 227 CB MET A 15 4.845 2.976 4.812 1.00 50.00 C ATOM 228 CG MET A 15 5.995 3.849 4.327 1.00 50.00 C ATOM 229 SD MET A 15 6.966 4.537 5.682 1.00 50.00 S ATOM 230 CE MET A 15 5.809 5.728 6.356 1.00 50.00 C ATOM 0 H MET A 15 5.456 0.634 3.610 1.00 10.00 H new ATOM 0 HA MET A 15 5.958 1.853 6.264 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.183 2.768 3.971 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.264 3.536 5.545 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.646 3.259 3.682 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.597 4.663 3.721 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.341 6.426 7.003 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.336 6.277 5.542 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.046 5.207 6.934 1.00 50.00 H new ATOM 240 N LYS A 16 3.682 1.245 7.212 1.00 10.00 N ATOM 241 CA LYS A 16 2.527 0.624 7.848 1.00 10.00 C ATOM 242 C LYS A 16 1.335 1.572 7.871 1.00 10.00 C ATOM 243 O LYS A 16 1.402 2.656 8.449 1.00 50.00 O ATOM 244 CB LYS A 16 2.873 0.183 9.273 1.00 50.00 C ATOM 245 CG LYS A 16 1.739 -0.522 10.005 1.00 50.00 C ATOM 246 CD LYS A 16 2.140 -0.884 11.428 1.00 50.00 C ATOM 247 CE LYS A 16 1.010 -1.592 12.159 1.00 50.00 C ATOM 248 NZ LYS A 16 1.384 -1.943 13.556 1.00 50.00 N ATOM 0 H LYS A 16 4.152 1.946 7.785 1.00 10.00 H new ATOM 0 HA LYS A 16 2.255 -0.253 7.261 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.735 -0.483 9.235 1.00 50.00 H new ATOM 0 HB3 LYS A 16 3.172 1.059 9.849 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.860 0.123 10.025 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.459 -1.425 9.463 1.00 50.00 H new ATOM 0 HD2 LYS A 16 3.021 -1.526 11.407 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.417 0.020 11.971 1.00 50.00 H new ATOM 0 HE2 LYS A 16 0.128 -0.952 12.170 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.740 -2.498 11.617 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 0.586 -2.424 14.019 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 2.210 -2.575 13.546 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.617 -1.076 14.081 1.00 50.00 H new ATOM 262 N ILE A 17 0.244 1.156 7.236 1.00 10.00 N ATOM 263 CA ILE A 17 -0.928 2.009 7.088 1.00 10.00 C ATOM 264 C ILE A 17 -2.074 1.530 7.971 1.00 10.00 C ATOM 265 O ILE A 17 -2.577 0.419 7.802 1.00 50.00 O ATOM 266 CB ILE A 17 -1.409 2.063 5.625 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.290 2.576 4.715 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.645 2.940 5.503 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.605 2.470 3.240 1.00 50.00 C ATOM 0 H ILE A 17 0.148 0.232 6.815 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.627 3.010 7.399 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.674 1.054 5.309 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.085 3.618 4.959 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.621 2.015 4.924 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.971 2.967 4.463 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.443 2.532 6.123 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.408 3.951 5.835 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.235 2.853 2.660 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.780 1.426 2.979 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.497 3.055 3.016 1.00 50.00 H new ATOM 281 N THR A 18 -2.481 2.373 8.912 1.00 10.00 N ATOM 282 CA THR A 18 -3.592 2.053 9.800 1.00 10.00 C ATOM 283 C THR A 18 -4.928 2.413 9.164 1.00 10.00 C ATOM 284 O THR A 18 -5.120 3.534 8.693 1.00 50.00 O ATOM 285 CB THR A 18 -3.465 2.783 11.151 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.264 2.365 11.812 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.662 2.473 12.038 1.00 50.00 C ATOM 0 H THR A 18 -2.057 3.285 9.080 1.00 10.00 H new ATOM 0 HA THR A 18 -3.554 0.978 9.973 1.00 10.00 H new ATOM 0 HB THR A 18 -3.431 3.857 10.966 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.184 2.831 12.670 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.556 2.997 12.988 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.576 2.801 11.543 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.712 1.399 12.219 1.00 50.00 H new ATOM 295 N LEU A 19 -5.849 1.457 9.152 1.00 10.00 N ATOM 296 CA LEU A 19 -7.136 1.640 8.490 1.00 50.00 C ATOM 297 C LEU A 19 -8.232 1.967 9.497 1.00 10.00 C ATOM 298 O LEU A 19 -8.121 1.635 10.678 1.00 50.00 O ATOM 299 CB LEU A 19 -7.505 0.384 7.690 1.00 50.00 C ATOM 300 CG LEU A 19 -6.464 -0.060 6.654 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.936 -1.320 5.946 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.227 1.064 5.657 1.00 50.00 C ATOM 0 H LEU A 19 -5.729 0.546 9.594 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.046 2.483 7.805 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.672 -0.436 8.388 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.450 0.564 7.178 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.524 -0.285 7.157 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.190 -1.627 5.213 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.076 -2.117 6.676 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.881 -1.121 5.441 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.487 0.748 4.921 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.162 1.305 5.151 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -5.862 1.946 6.183 1.00 50.00 H new ATOM 314 N SER A 20 -9.287 2.619 9.025 1.00 10.00 N ATOM 315 CA SER A 20 -10.420 2.963 9.876 1.00 10.00 C ATOM 316 C SER A 20 -11.315 1.754 10.115 1.00 50.00 C ATOM 317 O SER A 20 -12.009 1.673 11.128 1.00 50.00 O ATOM 318 CB SER A 20 -11.215 4.094 9.254 1.00 50.00 C ATOM 319 OG SER A 20 -10.467 5.274 9.162 1.00 50.00 O ATOM 0 H SER A 20 -9.382 2.921 8.055 1.00 10.00 H new ATOM 0 HA SER A 20 -10.034 3.290 10.841 1.00 10.00 H new ATOM 0 HB2 SER A 20 -11.549 3.798 8.259 1.00 50.00 H new ATOM 0 HB3 SER A 20 -12.110 4.278 9.849 1.00 50.00 H new ATOM 0 HG SER A 20 -11.014 5.977 8.755 1.00 50.00 H new ATOM 414 N THR A 27 -9.993 -8.402 4.596 1.00 50.00 N ATOM 415 CA THR A 27 -9.299 -9.531 3.988 1.00 50.00 C ATOM 416 C THR A 27 -7.857 -9.618 4.469 1.00 50.00 C ATOM 417 O THR A 27 -7.344 -8.689 5.092 1.00 50.00 O ATOM 418 CB THR A 27 -9.312 -9.439 2.449 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.610 -8.261 2.034 1.00 50.00 O ATOM 420 CG2 THR A 27 -10.740 -9.387 1.930 1.00 75.00 C ATOM 0 HA THR A 27 -9.834 -10.430 4.295 1.00 50.00 H new ATOM 0 HB THR A 27 -8.823 -10.324 2.041 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.045 -7.941 2.768 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.730 -9.322 0.842 1.00 75.00 H new ATOM 0 HG22 THR A 27 -11.271 -10.289 2.235 1.00 75.00 H new ATOM 0 HG23 THR A 27 -11.245 -8.513 2.341 1.00 75.00 H new ATOM 428 N SER A 28 -7.208 -10.741 4.177 1.00 10.00 N ATOM 429 CA SER A 28 -5.772 -10.873 4.398 1.00 10.00 C ATOM 430 C SER A 28 -5.100 -11.582 3.228 1.00 10.00 C ATOM 431 O SER A 28 -5.379 -12.749 2.952 1.00 50.00 O ATOM 432 CB SER A 28 -5.511 -11.623 5.690 1.00 50.00 C ATOM 433 OG SER A 28 -4.142 -11.835 5.908 1.00 50.00 O ATOM 0 H SER A 28 -7.653 -11.572 3.787 1.00 10.00 H new ATOM 0 HA SER A 28 -5.345 -9.873 4.475 1.00 10.00 H new ATOM 0 HB2 SER A 28 -5.928 -11.061 6.526 1.00 50.00 H new ATOM 0 HB3 SER A 28 -6.026 -12.583 5.662 1.00 50.00 H new ATOM 0 HG SER A 28 -4.016 -12.319 6.751 1.00 50.00 H new ATOM 439 N ASP A 29 -4.211 -10.869 2.544 1.00 10.00 N ATOM 440 CA ASP A 29 -3.709 -11.311 1.249 1.00 10.00 C ATOM 441 C ASP A 29 -2.409 -10.604 0.891 1.00 10.00 C ATOM 442 O ASP A 29 -2.075 -9.569 1.468 1.00 50.00 O ATOM 443 CB ASP A 29 -4.755 -11.070 0.158 1.00 50.00 C ATOM 444 CG ASP A 29 -4.611 -11.970 -1.062 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.693 -12.757 -1.089 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.499 -11.977 -1.879 1.00 50.00 O ATOM 0 H ASP A 29 -3.823 -9.982 2.866 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.508 -12.380 1.318 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.747 -11.214 0.585 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.694 -10.030 -0.163 1.00 50.00 H new ATOM 451 N THR A 30 -1.676 -11.168 -0.062 1.00 10.00 N ATOM 452 CA THR A 30 -0.477 -10.526 -0.589 1.00 10.00 C ATOM 453 C THR A 30 -0.647 -10.164 -2.058 1.00 10.00 C ATOM 454 O THR A 30 -1.062 -10.993 -2.868 1.00 50.00 O ATOM 455 CB THR A 30 0.761 -11.428 -0.432 1.00 50.00 C ATOM 456 OG1 THR A 30 0.963 -11.730 0.954 1.00 50.00 O ATOM 457 CG2 THR A 30 1.999 -10.736 -0.982 1.00 50.00 C ATOM 0 H THR A 30 -1.891 -12.070 -0.486 1.00 10.00 H new ATOM 0 HA THR A 30 -0.327 -9.615 -0.009 1.00 10.00 H new ATOM 0 HB THR A 30 0.594 -12.349 -0.991 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.750 -12.305 1.052 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.864 -11.388 -0.862 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.853 -10.517 -2.040 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.168 -9.806 -0.438 1.00 50.00 H new ATOM 465 N TYR A 31 -0.323 -8.921 -2.396 1.00 10.00 N ATOM 466 CA TYR A 31 -0.494 -8.427 -3.759 1.00 10.00 C ATOM 467 C TYR A 31 0.840 -8.013 -4.366 1.00 10.00 C ATOM 468 O TYR A 31 1.516 -7.120 -3.853 1.00 50.00 O ATOM 469 CB TYR A 31 -1.471 -7.250 -3.782 1.00 50.00 C ATOM 470 CG TYR A 31 -2.837 -7.574 -3.218 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.809 -8.170 -4.009 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.151 -7.284 -1.899 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.058 -8.468 -3.500 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.396 -7.578 -1.380 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.348 -8.171 -2.184 1.00 50.00 C ATOM 476 OH TYR A 31 -6.590 -8.466 -1.672 1.00 50.00 O ATOM 0 H TYR A 31 0.060 -8.236 -1.745 1.00 10.00 H new ATOM 0 HA TYR A 31 -0.904 -9.239 -4.360 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.042 -6.424 -3.215 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.586 -6.906 -4.810 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.585 -8.405 -5.039 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.409 -6.820 -1.267 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.804 -8.931 -4.129 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.624 -7.345 -0.350 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.629 -8.194 -0.731 1.00 50.00 H new ATOM 486 N THR A 32 1.213 -8.664 -5.463 1.00 10.00 N ATOM 487 CA THR A 32 2.491 -8.403 -6.111 1.00 10.00 C ATOM 488 C THR A 32 2.296 -7.909 -7.537 1.00 10.00 C ATOM 489 O THR A 32 3.095 -7.128 -8.051 1.00 50.00 O ATOM 490 CB THR A 32 3.382 -9.659 -6.131 1.00 50.00 C ATOM 491 OG1 THR A 32 2.732 -10.696 -6.877 1.00 50.00 O ATOM 492 CG2 THR A 32 3.648 -10.147 -4.715 1.00 50.00 C ATOM 0 H THR A 32 0.646 -9.377 -5.922 1.00 10.00 H new ATOM 0 HA THR A 32 2.985 -7.627 -5.526 1.00 10.00 H new ATOM 0 HB THR A 32 4.332 -9.405 -6.600 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.300 -11.494 -6.891 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.279 -11.035 -4.749 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.153 -9.364 -4.149 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.703 -10.392 -4.231 1.00 50.00 H new ATOM 500 N LYS A 33 1.226 -8.370 -8.176 1.00 10.00 N ATOM 501 CA LYS A 33 0.927 -7.984 -9.549 1.00 50.00 C ATOM 502 C LYS A 33 -0.475 -7.399 -9.666 1.00 50.00 C ATOM 503 O LYS A 33 -1.309 -7.578 -8.778 1.00 50.00 O ATOM 504 CB LYS A 33 1.075 -9.183 -10.487 1.00 50.00 C ATOM 505 CG LYS A 33 2.495 -9.720 -10.602 1.00 50.00 C ATOM 506 CD LYS A 33 2.560 -10.915 -11.540 1.00 50.00 C ATOM 507 CE LYS A 33 3.980 -11.452 -11.656 1.00 75.00 C ATOM 508 NZ LYS A 33 4.064 -12.605 -12.595 1.00 75.00 N ATOM 0 H LYS A 33 0.550 -9.013 -7.763 1.00 10.00 H new ATOM 0 HA LYS A 33 1.642 -7.215 -9.841 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.424 -9.984 -10.138 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.726 -8.898 -11.479 1.00 50.00 H new ATOM 0 HG2 LYS A 33 3.155 -8.933 -10.966 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.858 -10.009 -9.616 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.900 -11.702 -11.175 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.197 -10.626 -12.526 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.642 -10.656 -11.998 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.333 -11.759 -10.672 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.047 -12.941 -12.645 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.452 -13.374 -12.255 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.751 -12.306 -13.541 1.00 75.00 H new ATOM 522 N VAL A 34 -0.729 -6.697 -10.764 1.00 50.00 N ATOM 523 CA VAL A 34 -2.045 -6.124 -11.021 1.00 50.00 C ATOM 524 C VAL A 34 -2.992 -7.161 -11.609 1.00 50.00 C ATOM 525 O VAL A 34 -2.626 -7.906 -12.519 1.00 50.00 O ATOM 526 CB VAL A 34 -1.960 -4.919 -11.978 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.352 -4.404 -12.309 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.114 -3.812 -11.366 1.00 50.00 C ATOM 0 H VAL A 34 -0.039 -6.511 -11.492 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.433 -5.786 -10.060 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.484 -5.245 -12.903 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.274 -3.553 -12.986 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -3.929 -5.196 -12.787 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -3.853 -4.093 -11.392 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.064 -2.969 -12.055 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -1.563 -3.488 -10.427 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.108 -4.186 -11.177 1.00 50.00 H new ATOM 538 N ASP A 35 -4.212 -7.203 -11.086 1.00 50.00 N ATOM 539 CA ASP A 35 -5.191 -8.200 -11.505 1.00 50.00 C ATOM 540 C ASP A 35 -6.611 -7.739 -11.202 1.00 50.00 C ATOM 541 O ASP A 35 -6.866 -7.126 -10.165 1.00 50.00 O ATOM 542 CB ASP A 35 -4.916 -9.542 -10.823 1.00 50.00 C ATOM 543 CG ASP A 35 -5.646 -10.726 -11.445 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.852 -10.753 -11.385 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.008 -11.508 -12.108 1.00 50.00 O ATOM 0 H ASP A 35 -4.547 -6.558 -10.371 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.097 -8.326 -12.584 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -3.844 -9.737 -10.851 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.199 -9.467 -9.773 1.00 50.00 H new ATOM 550 N ASP A 36 -7.533 -8.039 -12.111 1.00 50.00 N ATOM 551 CA ASP A 36 -8.907 -7.569 -11.993 1.00 50.00 C ATOM 552 C ASP A 36 -9.569 -8.113 -10.733 1.00 50.00 C ATOM 553 O ASP A 36 -10.447 -7.472 -10.156 1.00 50.00 O ATOM 554 CB ASP A 36 -9.719 -7.967 -13.228 1.00 50.00 C ATOM 555 CG ASP A 36 -9.393 -7.166 -14.480 1.00 50.00 C ATOM 556 OD1 ASP A 36 -8.725 -6.165 -14.364 1.00 50.00 O ATOM 557 OD2 ASP A 36 -9.678 -7.637 -15.554 1.00 50.00 O ATOM 0 H ASP A 36 -7.352 -8.607 -12.939 1.00 50.00 H new ATOM 0 HA ASP A 36 -8.882 -6.482 -11.923 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.550 -9.024 -13.434 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.779 -7.851 -13.003 1.00 50.00 H new ATOM 562 N SER A 37 -9.143 -9.298 -10.313 1.00 50.00 N ATOM 563 CA SER A 37 -9.731 -9.955 -9.151 1.00 50.00 C ATOM 564 C SER A 37 -9.344 -9.242 -7.861 1.00 50.00 C ATOM 565 O SER A 37 -9.939 -9.478 -6.808 1.00 50.00 O ATOM 566 CB SER A 37 -9.301 -11.408 -9.100 1.00 50.00 C ATOM 567 OG SER A 37 -7.925 -11.544 -8.874 1.00 50.00 O ATOM 0 H SER A 37 -8.392 -9.824 -10.760 1.00 50.00 H new ATOM 0 HA SER A 37 -10.816 -9.909 -9.247 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.850 -11.920 -8.310 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.564 -11.896 -10.039 1.00 50.00 H new ATOM 0 HG SER A 37 -7.434 -11.296 -9.685 1.00 50.00 H new ATOM 573 N GLN A 38 -8.345 -8.371 -7.948 1.00 50.00 N ATOM 574 CA GLN A 38 -7.883 -7.617 -6.789 1.00 50.00 C ATOM 575 C GLN A 38 -8.703 -6.349 -6.593 1.00 50.00 C ATOM 576 O GLN A 38 -9.337 -5.857 -7.528 1.00 50.00 O ATOM 577 CB GLN A 38 -6.402 -7.256 -6.942 1.00 50.00 C ATOM 578 CG GLN A 38 -5.484 -8.455 -7.116 1.00 50.00 C ATOM 579 CD GLN A 38 -4.081 -8.052 -7.527 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.817 -6.886 -7.829 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.172 -9.021 -7.547 1.00 50.00 N ATOM 0 H GLN A 38 -7.839 -8.170 -8.810 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.011 -8.249 -5.910 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.287 -6.597 -7.802 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.084 -6.693 -6.064 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.440 -9.014 -6.181 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.902 -9.124 -7.868 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.435 -9.972 -7.289 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.211 -8.814 -7.820 1.00 50.00 H new ATOM 590 N PRO A 39 -8.688 -5.824 -5.373 1.00 50.00 N ATOM 591 CA PRO A 39 -9.378 -4.576 -5.070 1.00 50.00 C ATOM 592 C PRO A 39 -8.928 -3.456 -6.000 1.00 50.00 C ATOM 593 O PRO A 39 -7.772 -3.411 -6.419 1.00 50.00 O ATOM 594 CB PRO A 39 -9.011 -4.292 -3.609 1.00 50.00 C ATOM 595 CG PRO A 39 -8.673 -5.630 -3.044 1.00 50.00 C ATOM 596 CD PRO A 39 -8.027 -6.386 -4.173 1.00 50.00 C ATOM 0 HA PRO A 39 -10.456 -4.645 -5.214 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.167 -3.606 -3.538 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.841 -3.833 -3.073 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.997 -5.539 -2.194 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.566 -6.143 -2.687 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.948 -6.231 -4.197 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.193 -7.460 -4.087 1.00 50.00 H new ATOM 604 N ALA A 40 -9.851 -2.555 -6.321 1.00 50.00 N ATOM 605 CA ALA A 40 -9.533 -1.392 -7.140 1.00 50.00 C ATOM 606 C ALA A 40 -8.358 -0.613 -6.560 1.00 50.00 C ATOM 607 O ALA A 40 -7.393 -0.313 -7.263 1.00 50.00 O ATOM 608 CB ALA A 40 -10.751 -0.492 -7.280 1.00 50.00 C ATOM 0 H ALA A 40 -10.826 -2.609 -6.026 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.244 -1.747 -8.129 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.497 0.372 -7.894 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.561 -1.047 -7.752 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.069 -0.154 -6.294 1.00 50.00 H new ATOM 614 N PHE A 41 -8.447 -0.289 -5.274 1.00 50.00 N ATOM 615 CA PHE A 41 -7.451 0.555 -4.627 1.00 50.00 C ATOM 616 C PHE A 41 -6.122 -0.173 -4.478 1.00 50.00 C ATOM 617 O PHE A 41 -5.109 0.430 -4.125 1.00 50.00 O ATOM 618 CB PHE A 41 -7.953 1.021 -3.259 1.00 50.00 C ATOM 619 CG PHE A 41 -8.830 0.018 -2.563 1.00 50.00 C ATOM 620 CD1 PHE A 41 -8.276 -1.019 -1.831 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.211 0.112 -2.641 1.00 75.00 C ATOM 622 CE1 PHE A 41 -9.082 -1.942 -1.191 1.00 75.00 C ATOM 623 CE2 PHE A 41 -11.020 -0.806 -2.001 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.454 -1.835 -1.276 1.00 75.00 C ATOM 0 H PHE A 41 -9.200 -0.599 -4.660 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.290 1.427 -5.261 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.096 1.243 -2.624 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -8.508 1.951 -3.383 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -7.202 -1.108 -1.759 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -10.660 0.913 -3.209 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -8.637 -2.747 -0.625 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -12.094 -0.719 -2.068 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.085 -2.555 -0.776 1.00 75.00 H new ATOM 634 N ILE A 42 -6.133 -1.473 -4.750 1.00 50.00 N ATOM 635 CA ILE A 42 -4.902 -2.252 -4.816 1.00 50.00 C ATOM 636 C ILE A 42 -4.282 -2.184 -6.207 1.00 10.00 C ATOM 637 O ILE A 42 -3.069 -2.025 -6.349 1.00 50.00 O ATOM 638 CB ILE A 42 -5.145 -3.725 -4.443 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.534 -3.845 -2.967 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.908 -4.560 -4.740 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.467 -3.358 -2.013 1.00 50.00 C ATOM 0 H ILE A 42 -6.982 -2.010 -4.929 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.213 -1.814 -4.093 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.969 -4.104 -5.048 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.449 -3.278 -2.795 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.759 -4.888 -2.744 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.097 -5.599 -4.470 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.674 -4.498 -5.803 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.066 -4.182 -4.160 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.816 -3.475 -0.987 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.557 -3.941 -2.156 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.258 -2.306 -2.207 1.00 50.00 H new ATOM 653 N ASN A 43 -5.121 -2.309 -7.229 1.00 10.00 N ATOM 654 CA ASN A 43 -4.654 -2.281 -8.610 1.00 10.00 C ATOM 655 C ASN A 43 -4.076 -0.919 -8.971 1.00 10.00 C ATOM 656 O ASN A 43 -3.022 -0.829 -9.601 1.00 50.00 O ATOM 657 CB ASN A 43 -5.762 -2.654 -9.578 1.00 50.00 C ATOM 658 CG ASN A 43 -6.059 -4.127 -9.621 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.189 -4.964 -9.355 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.259 -4.450 -10.033 1.00 50.00 N ATOM 0 H ASN A 43 -6.129 -2.431 -7.127 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.862 -3.025 -8.695 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.670 -2.118 -9.301 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.486 -2.319 -10.578 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.512 -5.431 -10.148 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.941 -3.720 -10.239 1.00 50.00 H new ATOM 667 N ASP A 44 -4.771 0.137 -8.566 1.00 10.00 N ATOM 668 CA ASP A 44 -4.358 1.496 -8.896 1.00 10.00 C ATOM 669 C ASP A 44 -2.927 1.761 -8.447 1.00 10.00 C ATOM 670 O ASP A 44 -2.117 2.295 -9.205 1.00 50.00 O ATOM 671 CB ASP A 44 -5.307 2.515 -8.258 1.00 50.00 C ATOM 672 CG ASP A 44 -6.671 2.609 -8.927 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.822 2.078 -10.002 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.590 3.069 -8.293 1.00 50.00 O ATOM 0 H ASP A 44 -5.623 0.079 -8.009 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.401 1.603 -9.980 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.448 2.255 -7.209 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.835 3.497 -8.282 1.00 50.00 H new ATOM 679 N ILE A 45 -2.622 1.385 -7.210 1.00 10.00 N ATOM 680 CA ILE A 45 -1.303 1.633 -6.637 1.00 10.00 C ATOM 681 C ILE A 45 -0.248 0.746 -7.283 1.00 10.00 C ATOM 682 O ILE A 45 0.840 1.209 -7.629 1.00 50.00 O ATOM 683 CB ILE A 45 -1.296 1.400 -5.116 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.186 2.429 -4.413 1.00 50.00 C ATOM 685 CG2 ILE A 45 0.125 1.462 -4.576 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.476 2.099 -2.967 1.00 50.00 C ATOM 0 H ILE A 45 -3.270 0.907 -6.584 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.065 2.678 -6.835 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.697 0.406 -4.915 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.705 3.406 -4.463 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.129 2.509 -4.954 1.00 50.00 H new ATOM 0 HG21 ILE A 45 0.113 1.295 -3.499 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.730 0.693 -5.055 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.552 2.443 -4.786 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.112 2.873 -2.537 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -2.986 1.137 -2.908 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.540 2.048 -2.411 1.00 50.00 H new ATOM 698 N LEU A 46 -0.573 -0.532 -7.445 1.00 10.00 N ATOM 699 CA LEU A 46 0.382 -1.507 -7.957 1.00 10.00 C ATOM 700 C LEU A 46 0.970 -1.055 -9.287 1.00 10.00 C ATOM 701 O LEU A 46 2.176 -1.163 -9.511 1.00 50.00 O ATOM 702 CB LEU A 46 -0.292 -2.877 -8.111 1.00 50.00 C ATOM 703 CG LEU A 46 -0.504 -3.651 -6.803 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.395 -4.860 -7.051 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.843 -4.079 -6.242 1.00 50.00 C ATOM 0 H LEU A 46 -1.492 -0.917 -7.229 1.00 10.00 H new ATOM 0 HA LEU A 46 1.198 -1.591 -7.240 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.260 -2.736 -8.592 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.312 -3.488 -8.782 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.998 -3.008 -6.075 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.540 -5.403 -6.117 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.361 -4.528 -7.431 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.923 -5.516 -7.783 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.692 -4.629 -5.313 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.351 -4.719 -6.964 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.453 -3.197 -6.047 1.00 50.00 H new ATOM 717 N LYS A 47 0.114 -0.546 -10.166 1.00 10.00 N ATOM 718 CA LYS A 47 0.516 -0.224 -11.530 1.00 10.00 C ATOM 719 C LYS A 47 1.353 1.046 -11.572 1.00 10.00 C ATOM 720 O LYS A 47 1.973 1.361 -12.589 1.00 50.00 O ATOM 721 CB LYS A 47 -0.712 -0.076 -12.429 1.00 50.00 C ATOM 722 CG LYS A 47 -1.537 1.176 -12.164 1.00 50.00 C ATOM 723 CD LYS A 47 -2.690 1.299 -13.148 1.00 50.00 C ATOM 724 CE LYS A 47 -3.474 2.585 -12.929 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.569 2.747 -13.924 1.00 50.00 N ATOM 0 H LYS A 47 -0.865 -0.347 -9.958 1.00 10.00 H new ATOM 0 HA LYS A 47 1.128 -1.046 -11.900 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -0.387 -0.069 -13.469 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.349 -0.951 -12.300 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.927 1.148 -11.146 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -0.899 2.057 -12.237 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -2.304 1.276 -14.167 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.356 0.443 -13.039 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.895 2.586 -11.923 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -2.797 3.437 -12.992 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.078 3.635 -13.739 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -4.166 2.772 -14.883 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.229 1.947 -13.847 1.00 50.00 H new ATOM 739 N VAL A 48 1.370 1.776 -10.461 1.00 10.00 N ATOM 740 CA VAL A 48 2.220 2.951 -10.328 1.00 10.00 C ATOM 741 C VAL A 48 3.686 2.558 -10.204 1.00 10.00 C ATOM 742 O VAL A 48 4.056 1.775 -9.329 1.00 50.00 O ATOM 743 CB VAL A 48 1.822 3.804 -9.107 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.794 4.958 -8.924 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.402 4.324 -9.263 1.00 50.00 C ATOM 0 H VAL A 48 0.802 1.572 -9.638 1.00 10.00 H new ATOM 0 HA VAL A 48 2.080 3.543 -11.233 1.00 10.00 H new ATOM 0 HB VAL A 48 1.864 3.175 -8.218 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.498 5.549 -8.058 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.799 4.566 -8.769 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.783 5.587 -9.814 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.137 4.924 -8.393 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.336 4.938 -10.161 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.286 3.483 -9.347 1.00 50.00 H new ATOM 755 N GLU A 49 4.516 3.106 -11.084 1.00 10.00 N ATOM 756 CA GLU A 49 5.945 2.815 -11.074 1.00 10.00 C ATOM 757 C GLU A 49 6.570 3.168 -9.731 1.00 10.00 C ATOM 758 O GLU A 49 6.395 4.277 -9.225 1.00 50.00 O ATOM 759 CB GLU A 49 6.655 3.572 -12.198 1.00 50.00 C ATOM 760 CG GLU A 49 8.139 3.260 -12.326 1.00 50.00 C ATOM 761 CD GLU A 49 8.756 4.002 -13.480 1.00 50.00 C ATOM 762 OE1 GLU A 49 8.038 4.684 -14.174 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.958 3.979 -13.601 1.00 50.00 O ATOM 0 H GLU A 49 4.224 3.755 -11.814 1.00 10.00 H new ATOM 0 HA GLU A 49 6.067 1.744 -11.236 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.164 3.339 -13.143 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.534 4.642 -12.032 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.651 3.530 -11.402 1.00 50.00 H new ATOM 0 HG3 GLU A 49 8.277 2.188 -12.465 1.00 50.00 H new ATOM 770 N GLY A 50 7.300 2.218 -9.154 1.00 10.00 N ATOM 771 CA GLY A 50 8.001 2.446 -7.897 1.00 10.00 C ATOM 772 C GLY A 50 7.418 1.592 -6.779 1.00 10.00 C ATOM 773 O GLY A 50 8.042 1.412 -5.732 1.00 50.00 O ATOM 0 H GLY A 50 7.421 1.281 -9.539 1.00 10.00 H new ATOM 0 HA2 GLY A 50 9.059 2.215 -8.021 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.934 3.500 -7.626 1.00 10.00 H new ATOM 777 N VAL A 51 6.219 1.069 -7.003 1.00 10.00 N ATOM 778 CA VAL A 51 5.575 0.183 -6.041 1.00 10.00 C ATOM 779 C VAL A 51 6.007 -1.261 -6.249 1.00 10.00 C ATOM 780 O VAL A 51 5.945 -1.784 -7.363 1.00 50.00 O ATOM 781 CB VAL A 51 4.041 0.269 -6.131 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.395 -0.715 -5.167 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.567 1.684 -5.840 1.00 50.00 C ATOM 0 H VAL A 51 5.671 1.244 -7.845 1.00 10.00 H new ATOM 0 HA VAL A 51 5.889 0.513 -5.051 1.00 10.00 H new ATOM 0 HB VAL A 51 3.742 0.007 -7.146 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.310 -0.641 -5.244 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.708 -1.729 -5.418 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.703 -0.482 -4.148 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.480 1.725 -5.908 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.879 1.973 -4.836 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.002 2.370 -6.567 1.00 50.00 H new ATOM 793 N LYS A 52 6.445 -1.905 -5.172 1.00 10.00 N ATOM 794 CA LYS A 52 6.933 -3.277 -5.245 1.00 10.00 C ATOM 795 C LYS A 52 5.832 -4.272 -4.906 1.00 10.00 C ATOM 796 O LYS A 52 5.492 -5.138 -5.714 1.00 50.00 O ATOM 797 CB LYS A 52 8.125 -3.472 -4.306 1.00 50.00 C ATOM 798 CG LYS A 52 8.740 -4.863 -4.351 1.00 50.00 C ATOM 799 CD LYS A 52 9.937 -4.971 -3.418 1.00 50.00 C ATOM 800 CE LYS A 52 10.557 -6.359 -3.468 1.00 50.00 C ATOM 801 NZ LYS A 52 11.752 -6.466 -2.587 1.00 50.00 N ATOM 0 H LYS A 52 6.472 -1.498 -4.237 1.00 10.00 H new ATOM 0 HA LYS A 52 7.255 -3.462 -6.270 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.893 -2.740 -4.557 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.806 -3.262 -3.285 1.00 50.00 H new ATOM 0 HG2 LYS A 52 7.990 -5.603 -4.071 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.049 -5.093 -5.371 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.684 -4.227 -3.695 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.626 -4.746 -2.398 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.816 -7.099 -3.165 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.841 -6.593 -4.494 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.145 -7.427 -2.650 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.470 -5.778 -2.891 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.477 -6.268 -1.604 1.00 50.00 H new ATOM 815 N SER A 53 5.277 -4.147 -3.705 1.00 10.00 N ATOM 816 CA SER A 53 4.273 -5.087 -3.222 1.00 10.00 C ATOM 817 C SER A 53 3.337 -4.428 -2.218 1.00 10.00 C ATOM 818 O SER A 53 3.715 -3.474 -1.536 1.00 50.00 O ATOM 819 CB SER A 53 4.946 -6.296 -2.602 1.00 50.00 C ATOM 820 OG SER A 53 5.643 -5.968 -1.432 1.00 50.00 O ATOM 0 H SER A 53 5.507 -3.402 -3.047 1.00 10.00 H new ATOM 0 HA SER A 53 3.675 -5.411 -4.074 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.195 -7.053 -2.376 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.635 -6.736 -3.323 1.00 50.00 H new ATOM 0 HG SER A 53 6.060 -6.774 -1.063 1.00 50.00 H new ATOM 826 N ILE A 54 2.115 -4.939 -2.130 1.00 10.00 N ATOM 827 CA ILE A 54 1.178 -4.515 -1.097 1.00 10.00 C ATOM 828 C ILE A 54 0.644 -5.709 -0.316 1.00 10.00 C ATOM 829 O ILE A 54 0.110 -6.655 -0.895 1.00 50.00 O ATOM 830 CB ILE A 54 -0.005 -3.733 -1.693 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.497 -2.498 -2.446 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.983 -3.333 -0.600 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.575 -1.793 -3.246 1.00 50.00 C ATOM 0 H ILE A 54 1.749 -5.650 -2.764 1.00 10.00 H new ATOM 0 HA ILE A 54 1.729 -3.860 -0.422 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.527 -4.378 -2.400 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.923 -1.796 -1.730 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.302 -2.796 -3.118 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.814 -2.781 -1.039 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.363 -4.228 -0.106 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.475 -2.704 0.130 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.143 -0.929 -3.751 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.986 -2.478 -3.987 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.370 -1.463 -2.577 1.00 50.00 H new ATOM 845 N PHE A 55 0.791 -5.659 1.003 1.00 10.00 N ATOM 846 CA PHE A 55 0.278 -6.712 1.871 1.00 10.00 C ATOM 847 C PHE A 55 -0.826 -6.187 2.782 1.00 10.00 C ATOM 848 O PHE A 55 -0.654 -5.175 3.461 1.00 50.00 O ATOM 849 CB PHE A 55 1.409 -7.313 2.709 1.00 50.00 C ATOM 850 CG PHE A 55 0.946 -8.332 3.710 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.483 -9.572 3.296 1.00 50.00 C ATOM 852 CD2 PHE A 55 0.971 -8.054 5.069 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.058 -10.511 4.215 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.547 -8.991 5.990 1.00 50.00 C ATOM 855 CZ PHE A 55 0.089 -10.221 5.562 1.00 50.00 C ATOM 0 H PHE A 55 1.262 -4.900 1.495 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.145 -7.490 1.236 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.136 -7.777 2.042 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.926 -6.510 3.234 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.454 -9.806 2.242 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.326 -7.093 5.411 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.299 -11.473 3.878 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.574 -8.762 7.045 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.244 -10.954 6.281 1.00 50.00 H new ATOM 865 N HIS A 56 -1.959 -6.881 2.789 1.00 10.00 N ATOM 866 CA HIS A 56 -3.067 -6.527 3.668 1.00 10.00 C ATOM 867 C HIS A 56 -3.346 -7.633 4.677 1.00 10.00 C ATOM 868 O HIS A 56 -3.458 -8.805 4.314 1.00 50.00 O ATOM 869 CB HIS A 56 -4.331 -6.232 2.852 1.00 50.00 C ATOM 870 CG HIS A 56 -5.534 -5.934 3.693 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.820 -6.184 3.264 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.646 -5.406 4.934 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.673 -5.823 4.209 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.985 -5.348 5.231 1.00 50.00 N ATOM 0 H HIS A 56 -2.134 -7.692 2.196 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.780 -5.629 4.215 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.139 -5.384 2.195 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.548 -7.088 2.213 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.834 -5.089 5.572 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.749 -5.903 4.154 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.384 -4.995 6.101 1.00 50.00 H new ATOM 882 N VAL A 57 -3.457 -7.256 5.946 1.00 10.00 N ATOM 883 CA VAL A 57 -3.980 -8.153 6.969 1.00 10.00 C ATOM 884 C VAL A 57 -4.817 -7.394 7.991 1.00 10.00 C ATOM 885 O VAL A 57 -4.383 -6.378 8.533 1.00 50.00 O ATOM 886 CB VAL A 57 -2.847 -8.897 7.700 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.909 -7.909 8.376 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.420 -9.869 8.721 1.00 50.00 C ATOM 0 H VAL A 57 -3.191 -6.334 6.291 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.609 -8.881 6.457 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.278 -9.465 6.964 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.115 -8.453 8.887 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.472 -7.250 7.626 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.467 -7.315 9.100 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.605 -10.386 9.228 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -4.013 -9.320 9.453 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -4.053 -10.598 8.214 1.00 50.00 H new ATOM 898 N MET A 58 -6.022 -7.893 8.250 1.00 10.00 N ATOM 899 CA MET A 58 -6.912 -7.281 9.227 1.00 10.00 C ATOM 900 C MET A 58 -7.144 -5.809 8.915 1.00 10.00 C ATOM 901 O MET A 58 -7.807 -5.469 7.935 1.00 50.00 O ATOM 902 CB MET A 58 -6.337 -7.437 10.634 1.00 50.00 C ATOM 903 CG MET A 58 -6.423 -8.849 11.196 1.00 50.00 C ATOM 904 SD MET A 58 -5.710 -8.985 12.848 1.00 75.00 S ATOM 905 CE MET A 58 -3.965 -8.847 12.474 1.00 75.00 C ATOM 0 H MET A 58 -6.404 -8.722 7.795 1.00 10.00 H new ATOM 0 HA MET A 58 -7.873 -7.793 9.175 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.292 -7.127 10.623 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.864 -6.759 11.306 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.467 -9.160 11.229 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.907 -9.535 10.524 1.00 50.00 H new ATOM 0 HE1 MET A 58 -3.384 -9.019 13.380 1.00 75.00 H new ATOM 0 HE2 MET A 58 -3.694 -9.589 11.723 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.753 -7.849 12.091 1.00 75.00 H new ATOM 915 N ASP A 59 -6.595 -4.936 9.753 1.00 10.00 N ATOM 916 CA ASP A 59 -7.002 -3.536 9.778 1.00 10.00 C ATOM 917 C ASP A 59 -5.816 -2.612 9.535 1.00 10.00 C ATOM 918 O ASP A 59 -5.837 -1.444 9.920 1.00 50.00 O ATOM 919 CB ASP A 59 -7.667 -3.195 11.114 1.00 50.00 C ATOM 920 CG ASP A 59 -6.766 -3.370 12.329 1.00 50.00 C ATOM 921 OD1 ASP A 59 -5.660 -3.826 12.162 1.00 75.00 O ATOM 922 OD2 ASP A 59 -7.126 -2.904 13.383 1.00 50.00 O ATOM 0 H ASP A 59 -5.866 -5.174 10.425 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.722 -3.385 8.974 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.014 -2.162 11.080 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.549 -3.823 11.238 1.00 50.00 H new ATOM 927 N PHE A 60 -4.782 -3.143 8.890 1.00 10.00 N ATOM 928 CA PHE A 60 -3.653 -2.331 8.454 1.00 10.00 C ATOM 929 C PHE A 60 -3.004 -2.916 7.206 1.00 10.00 C ATOM 930 O PHE A 60 -3.101 -4.116 6.948 1.00 50.00 O ATOM 931 CB PHE A 60 -2.620 -2.206 9.575 1.00 50.00 C ATOM 932 CG PHE A 60 -1.909 -3.491 9.890 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.435 -4.385 10.810 1.00 50.00 C ATOM 934 CD2 PHE A 60 -0.711 -3.808 9.266 1.00 50.00 C ATOM 935 CE1 PHE A 60 -1.782 -5.567 11.101 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.056 -4.990 9.555 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.590 -5.869 10.472 1.00 50.00 C ATOM 0 H PHE A 60 -4.703 -4.133 8.658 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.030 -1.338 8.208 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -1.883 -1.453 9.295 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.117 -1.846 10.476 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.367 -4.154 11.305 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.286 -3.124 8.547 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.203 -6.254 11.820 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.875 -5.225 9.062 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.077 -6.792 10.698 1.00 50.00 H new ATOM 947 N ILE A 61 -2.340 -2.062 6.434 1.00 10.00 N ATOM 948 CA ILE A 61 -1.704 -2.486 5.193 1.00 10.00 C ATOM 949 C ILE A 61 -0.217 -2.155 5.195 1.00 10.00 C ATOM 950 O ILE A 61 0.181 -1.048 5.554 1.00 50.00 O ATOM 951 CB ILE A 61 -2.365 -1.829 3.968 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.823 -2.278 3.843 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.591 -2.166 2.702 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.604 -1.529 2.788 1.00 50.00 C ATOM 0 H ILE A 61 -2.229 -1.071 6.647 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.831 -3.567 5.127 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.348 -0.748 4.103 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.847 -3.343 3.612 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.317 -2.150 4.806 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.072 -1.694 1.845 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.568 -1.799 2.792 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.578 -3.247 2.560 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.627 -1.903 2.759 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.613 -0.466 3.028 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.136 -1.677 1.815 1.00 50.00 H new ATOM 966 N SER A 62 0.599 -3.123 4.792 1.00 10.00 N ATOM 967 CA SER A 62 2.034 -2.904 4.647 1.00 10.00 C ATOM 968 C SER A 62 2.416 -2.704 3.187 1.00 10.00 C ATOM 969 O SER A 62 2.328 -3.629 2.379 1.00 50.00 O ATOM 970 CB SER A 62 2.800 -4.071 5.239 1.00 50.00 C ATOM 971 OG SER A 62 4.184 -3.933 5.064 1.00 50.00 O ATOM 0 H SER A 62 0.291 -4.067 4.560 1.00 10.00 H new ATOM 0 HA SER A 62 2.296 -1.995 5.188 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.575 -4.150 6.303 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.466 -4.998 4.773 1.00 50.00 H new ATOM 0 HG SER A 62 4.642 -4.704 5.460 1.00 50.00 H new ATOM 977 N VAL A 63 2.840 -1.491 2.853 1.00 10.00 N ATOM 978 CA VAL A 63 3.151 -1.140 1.473 1.00 10.00 C ATOM 979 C VAL A 63 4.653 -1.003 1.263 1.00 10.00 C ATOM 980 O VAL A 63 5.310 -0.196 1.921 1.00 50.00 O ATOM 981 CB VAL A 63 2.461 0.171 1.054 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.825 0.530 -0.378 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.954 0.052 1.205 1.00 50.00 C ATOM 0 H VAL A 63 2.977 -0.732 3.521 1.00 10.00 H new ATOM 0 HA VAL A 63 2.775 -1.952 0.851 1.00 10.00 H new ATOM 0 HB VAL A 63 2.811 0.968 1.710 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.329 1.459 -0.658 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.905 0.657 -0.458 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.503 -0.269 -1.046 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.483 0.988 0.904 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.588 -0.758 0.574 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.708 -0.160 2.246 1.00 50.00 H new ATOM 993 N ASP A 64 5.193 -1.794 0.342 1.00 10.00 N ATOM 994 CA ASP A 64 6.633 -1.846 0.126 1.00 10.00 C ATOM 995 C ASP A 64 7.001 -1.323 -1.257 1.00 10.00 C ATOM 996 O ASP A 64 6.420 -1.733 -2.261 1.00 50.00 O ATOM 997 CB ASP A 64 7.152 -3.276 0.301 1.00 50.00 C ATOM 998 CG ASP A 64 8.669 -3.397 0.319 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.299 -2.883 -0.573 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.196 -3.862 1.302 1.00 50.00 O ATOM 0 H ASP A 64 4.653 -2.409 -0.267 1.00 10.00 H new ATOM 0 HA ASP A 64 7.104 -1.205 0.871 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.756 -3.682 1.232 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.760 -3.893 -0.507 1.00 50.00 H new ATOM 1005 N LYS A 65 7.969 -0.415 -1.302 1.00 10.00 N ATOM 1006 CA LYS A 65 8.365 0.222 -2.552 1.00 10.00 C ATOM 1007 C LYS A 65 9.638 -0.400 -3.110 1.00 10.00 C ATOM 1008 O LYS A 65 10.200 -1.322 -2.518 1.00 50.00 O ATOM 1009 CB LYS A 65 8.561 1.724 -2.349 1.00 50.00 C ATOM 1010 CG LYS A 65 9.765 2.092 -1.490 1.00 50.00 C ATOM 1011 CD LYS A 65 10.018 3.592 -1.506 1.00 50.00 C ATOM 1012 CE LYS A 65 11.139 3.973 -0.550 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.470 3.533 -1.049 1.00 50.00 N ATOM 0 H LYS A 65 8.495 -0.103 -0.486 1.00 10.00 H new ATOM 0 HA LYS A 65 7.564 0.063 -3.274 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.667 2.199 -3.324 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.663 2.136 -1.890 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.598 1.760 -0.465 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.648 1.568 -1.855 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.275 3.909 -2.517 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.106 4.120 -1.229 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.144 5.054 -0.409 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.951 3.525 0.426 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.182 4.258 -0.825 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.733 2.637 -0.592 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.427 3.397 -2.079 1.00 50.00 H new ATOM 1027 N GLU A 66 10.087 0.106 -4.252 1.00 10.00 N ATOM 1028 CA GLU A 66 11.366 -0.300 -4.821 1.00 10.00 C ATOM 1029 C GLU A 66 12.517 0.495 -4.217 1.00 10.00 C ATOM 1030 O GLU A 66 12.307 1.551 -3.619 1.00 50.00 O ATOM 1031 CB GLU A 66 11.354 -0.136 -6.342 1.00 50.00 C ATOM 1032 CG GLU A 66 10.345 -1.017 -7.062 1.00 50.00 C ATOM 1033 CD GLU A 66 10.764 -2.461 -7.037 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.885 -2.726 -6.676 1.00 50.00 O ATOM 1035 OE2 GLU A 66 9.933 -3.304 -7.271 1.00 50.00 O ATOM 0 H GLU A 66 9.583 0.800 -4.804 1.00 10.00 H new ATOM 0 HA GLU A 66 11.517 -1.352 -4.580 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.143 0.906 -6.581 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.350 -0.356 -6.727 1.00 50.00 H new ATOM 0 HG2 GLU A 66 9.367 -0.912 -6.592 1.00 50.00 H new ATOM 0 HG3 GLU A 66 10.240 -0.684 -8.095 1.00 50.00 H new ATOM 1042 N ASN A 67 13.732 -0.017 -4.377 1.00 10.00 N ATOM 1043 CA ASN A 67 14.916 0.636 -3.830 1.00 10.00 C ATOM 1044 C ASN A 67 15.153 1.989 -4.487 1.00 10.00 C ATOM 1045 O ASN A 67 15.523 2.957 -3.824 1.00 50.00 O ATOM 1046 CB ASN A 67 16.148 -0.239 -3.973 1.00 50.00 C ATOM 1047 CG ASN A 67 16.167 -1.415 -3.035 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.478 -1.426 -2.009 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.011 -2.366 -3.341 1.00 50.00 N ATOM 0 H ASN A 67 13.923 -0.883 -4.881 1.00 10.00 H new ATOM 0 HA ASN A 67 14.732 0.796 -2.768 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.207 -0.603 -4.999 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.036 0.368 -3.798 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.125 -3.167 -2.719 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.556 -2.307 -4.201 1.00 50.00 H new ATOM 1056 N ASP A 68 14.935 2.051 -5.797 1.00 10.00 N ATOM 1057 CA ASP A 68 15.092 3.294 -6.541 1.00 10.00 C ATOM 1058 C ASP A 68 13.997 4.291 -6.185 1.00 10.00 C ATOM 1059 O ASP A 68 14.253 5.488 -6.053 1.00 50.00 O ATOM 1060 CB ASP A 68 15.085 3.022 -8.048 1.00 50.00 C ATOM 1061 CG ASP A 68 16.347 2.352 -8.572 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.317 2.310 -7.853 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.287 1.753 -9.619 1.00 50.00 O ATOM 0 H ASP A 68 14.649 1.253 -6.365 1.00 10.00 H new ATOM 0 HA ASP A 68 16.052 3.729 -6.264 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.228 2.392 -8.287 1.00 50.00 H new ATOM 0 HB3 ASP A 68 14.944 3.966 -8.575 1.00 50.00 H new ATOM 1068 N ALA A 69 12.776 3.791 -6.029 1.00 10.00 N ATOM 1069 CA ALA A 69 11.628 4.646 -5.752 1.00 10.00 C ATOM 1070 C ALA A 69 11.788 5.371 -4.423 1.00 10.00 C ATOM 1071 O ALA A 69 12.539 4.931 -3.552 1.00 50.00 O ATOM 1072 CB ALA A 69 10.344 3.827 -5.761 1.00 50.00 C ATOM 0 H ALA A 69 12.556 2.797 -6.090 1.00 10.00 H new ATOM 0 HA ALA A 69 11.571 5.399 -6.538 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.495 4.479 -5.553 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.215 3.364 -6.739 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.402 3.051 -4.997 1.00 50.00 H new ATOM 1078 N ASN A 70 11.080 6.484 -4.271 1.00 10.00 N ATOM 1079 CA ASN A 70 11.042 7.203 -3.004 1.00 10.00 C ATOM 1080 C ASN A 70 9.610 7.399 -2.524 1.00 10.00 C ATOM 1081 O ASN A 70 8.681 7.471 -3.327 1.00 50.00 O ATOM 1082 CB ASN A 70 11.750 8.542 -3.103 1.00 50.00 C ATOM 1083 CG ASN A 70 13.217 8.429 -3.416 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.019 7.989 -2.583 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.583 8.899 -4.582 1.00 50.00 N ATOM 0 H ASN A 70 10.523 6.909 -5.012 1.00 10.00 H new ATOM 0 HA ASN A 70 11.571 6.592 -2.272 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.268 9.142 -3.875 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.629 9.078 -2.161 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.570 8.914 -4.839 1.00 50.00 H new ATOM 0 HD22 ASN A 70 12.881 9.250 -5.233 1.00 50.00 H new ATOM 1092 N TRP A 71 9.438 7.487 -1.209 1.00 10.00 N ATOM 1093 CA TRP A 71 8.116 7.654 -0.619 1.00 10.00 C ATOM 1094 C TRP A 71 7.558 9.043 -0.904 1.00 10.00 C ATOM 1095 O TRP A 71 6.347 9.255 -0.868 1.00 50.00 O ATOM 1096 CB TRP A 71 8.171 7.411 0.890 1.00 50.00 C ATOM 1097 CG TRP A 71 8.302 5.965 1.257 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.270 5.405 2.036 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.434 4.894 0.864 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.063 4.053 2.152 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.938 3.714 1.441 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.277 4.819 0.080 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.334 2.480 1.258 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.670 3.583 -0.103 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.184 2.447 0.470 1.00 50.00 C ATOM 0 H TRP A 71 10.199 7.445 -0.531 1.00 10.00 H new ATOM 0 HA TRP A 71 7.452 6.919 -1.074 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.013 7.962 1.308 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.268 7.814 1.348 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.083 5.947 2.496 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.649 3.406 2.680 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.863 5.707 -0.375 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.736 1.583 1.706 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.777 3.515 -0.707 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.685 1.503 0.306 1.00 50.00 H new ATOM 1116 N GLU A 72 8.451 9.987 -1.186 1.00 10.00 N ATOM 1117 CA GLU A 72 8.045 11.340 -1.553 1.00 10.00 C ATOM 1118 C GLU A 72 7.048 11.321 -2.704 1.00 10.00 C ATOM 1119 O GLU A 72 6.086 12.091 -2.716 1.00 50.00 O ATOM 1120 CB GLU A 72 9.266 12.181 -1.927 1.00 50.00 C ATOM 1121 CG GLU A 72 8.948 13.626 -2.284 1.00 50.00 C ATOM 1122 CD GLU A 72 10.200 14.402 -2.587 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.264 13.838 -2.494 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.089 15.526 -3.018 1.00 75.00 O ATOM 0 H GLU A 72 9.460 9.840 -1.167 1.00 10.00 H new ATOM 0 HA GLU A 72 7.558 11.790 -0.688 1.00 10.00 H new ATOM 0 HB2 GLU A 72 9.968 12.171 -1.093 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.769 11.713 -2.773 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.284 13.652 -3.148 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.416 14.098 -1.458 1.00 50.00 H new ATOM 1131 N THR A 73 7.283 10.441 -3.669 1.00 10.00 N ATOM 1132 CA THR A 73 6.366 10.273 -4.792 1.00 10.00 C ATOM 1133 C THR A 73 5.269 9.271 -4.461 1.00 10.00 C ATOM 1134 O THR A 73 4.084 9.552 -4.643 1.00 50.00 O ATOM 1135 CB THR A 73 7.107 9.807 -6.060 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.078 10.792 -6.438 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.126 9.602 -7.205 1.00 50.00 C ATOM 0 H THR A 73 8.101 9.832 -3.698 1.00 10.00 H new ATOM 0 HA THR A 73 5.918 11.248 -4.981 1.00 10.00 H new ATOM 0 HB THR A 73 7.604 8.861 -5.846 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.550 10.494 -7.244 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.666 9.273 -8.093 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.393 8.845 -6.925 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.615 10.541 -7.419 1.00 50.00 H new ATOM 1145 N VAL A 74 5.668 8.101 -3.975 1.00 10.00 N ATOM 1146 CA VAL A 74 4.773 6.952 -3.908 1.00 10.00 C ATOM 1147 C VAL A 74 3.683 7.163 -2.865 1.00 10.00 C ATOM 1148 O VAL A 74 2.498 6.979 -3.145 1.00 50.00 O ATOM 1149 CB VAL A 74 5.539 5.657 -3.580 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.567 4.511 -3.337 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.500 5.308 -4.706 1.00 50.00 C ATOM 0 H VAL A 74 6.608 7.923 -3.621 1.00 10.00 H new ATOM 0 HA VAL A 74 4.316 6.853 -4.892 1.00 10.00 H new ATOM 0 HB VAL A 74 6.117 5.819 -2.670 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.125 3.603 -3.107 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.915 4.759 -2.500 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.964 4.349 -4.231 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.033 4.390 -4.458 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.941 5.164 -5.630 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.216 6.119 -4.838 1.00 50.00 H new ATOM 1161 N LEU A 75 4.089 7.553 -1.662 1.00 10.00 N ATOM 1162 CA LEU A 75 3.241 7.414 -0.484 1.00 10.00 C ATOM 1163 C LEU A 75 2.002 8.291 -0.592 1.00 50.00 C ATOM 1164 O LEU A 75 0.890 7.850 -0.305 1.00 50.00 O ATOM 1165 CB LEU A 75 4.032 7.763 0.781 1.00 50.00 C ATOM 1166 CG LEU A 75 3.314 7.462 2.103 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.001 5.974 2.200 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.184 7.906 3.268 1.00 50.00 C ATOM 0 H LEU A 75 5.002 7.969 -1.477 1.00 10.00 H new ATOM 0 HA LEU A 75 2.914 6.376 -0.423 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.974 7.215 0.764 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.280 8.824 0.754 1.00 50.00 H new ATOM 0 HG LEU A 75 2.374 8.012 2.139 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.491 5.770 3.142 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.359 5.682 1.369 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.929 5.404 2.159 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.673 7.692 4.206 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.132 7.368 3.240 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.372 8.977 3.194 1.00 50.00 H new ATOM 1180 N PRO A 76 2.200 9.538 -1.009 1.00 50.00 N ATOM 1181 CA PRO A 76 1.089 10.457 -1.228 1.00 50.00 C ATOM 1182 C PRO A 76 0.009 9.823 -2.093 1.00 50.00 C ATOM 1183 O PRO A 76 -1.183 9.960 -1.816 1.00 50.00 O ATOM 1184 CB PRO A 76 1.735 11.669 -1.908 1.00 50.00 C ATOM 1185 CG PRO A 76 3.136 11.676 -1.401 1.00 50.00 C ATOM 1186 CD PRO A 76 3.532 10.227 -1.305 1.00 50.00 C ATOM 0 HA PRO A 76 0.581 10.731 -0.304 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.706 11.578 -2.994 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.215 12.592 -1.652 1.00 50.00 H new ATOM 0 HG2 PRO A 76 3.796 12.220 -2.077 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.200 12.166 -0.430 1.00 50.00 H new ATOM 0 HD2 PRO A 76 3.978 9.866 -2.232 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.261 10.057 -0.513 1.00 50.00 H new ATOM 1194 N LYS A 77 0.432 9.128 -3.144 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.499 8.486 -4.064 1.00 50.00 C ATOM 1196 C LYS A 77 -1.237 7.338 -3.389 1.00 50.00 C ATOM 1197 O LYS A 77 -2.454 7.209 -3.515 1.00 50.00 O ATOM 1198 CB LYS A 77 0.237 7.981 -5.306 1.00 50.00 C ATOM 1199 CG LYS A 77 0.772 9.081 -6.212 1.00 50.00 C ATOM 1200 CD LYS A 77 1.489 8.503 -7.422 1.00 50.00 C ATOM 1201 CE LYS A 77 2.061 9.602 -8.305 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.774 9.049 -9.489 1.00 50.00 N ATOM 0 H LYS A 77 1.415 8.995 -3.380 1.00 50.00 H new ATOM 0 HA LYS A 77 -1.234 9.231 -4.368 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.069 7.352 -4.989 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.439 7.350 -5.882 1.00 50.00 H new ATOM 0 HG2 LYS A 77 -0.051 9.714 -6.543 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.457 9.716 -5.650 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.292 7.845 -7.091 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.796 7.893 -8.001 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.255 10.255 -8.639 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.748 10.216 -7.722 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.149 9.830 -10.065 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.559 8.446 -9.171 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.113 8.484 -10.060 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.492 6.503 -2.672 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.085 5.422 -1.893 1.00 50.00 C ATOM 1218 C VAL A 78 -2.184 5.944 -0.977 1.00 50.00 C ATOM 1219 O VAL A 78 -3.302 5.425 -0.974 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.028 4.691 -1.045 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.696 3.720 -0.082 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.958 3.956 -1.941 1.00 50.00 C ATOM 0 H VAL A 78 0.525 6.554 -2.614 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.514 4.719 -2.607 1.00 50.00 H new ATOM 0 HB VAL A 78 0.520 5.433 -0.463 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.066 3.212 0.509 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.365 4.268 0.582 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.268 2.984 -0.646 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.698 3.445 -1.325 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.423 3.225 -2.548 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.460 4.671 -2.593 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.863 6.970 -0.198 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.822 7.561 0.725 1.00 50.00 C ATOM 1234 C GLU A 79 -4.094 7.988 0.003 1.00 50.00 C ATOM 1235 O GLU A 79 -5.201 7.699 0.455 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.202 8.759 1.449 1.00 50.00 C ATOM 1237 CG GLU A 79 -3.119 9.427 2.464 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.436 10.579 3.144 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.288 10.818 2.855 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -3.093 11.291 3.867 1.00 50.00 O ATOM 0 H GLU A 79 -0.943 7.410 -0.188 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.087 6.801 1.460 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.296 8.431 1.958 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.901 9.499 0.708 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -4.021 9.780 1.965 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.433 8.696 3.210 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.927 8.678 -1.119 1.00 50.00 N ATOM 1248 CA ALA A 80 -5.060 9.123 -1.920 1.00 50.00 C ATOM 1249 C ALA A 80 -5.941 7.950 -2.331 1.00 50.00 C ATOM 1250 O ALA A 80 -7.167 8.033 -2.275 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.577 9.882 -3.147 1.00 50.00 C ATOM 0 H ALA A 80 -3.016 8.942 -1.495 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.662 9.794 -1.307 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.435 10.208 -3.735 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -4.001 10.753 -2.833 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.948 9.230 -3.754 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.308 6.856 -2.741 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.030 5.704 -3.264 1.00 50.00 C ATOM 1259 C VAL A 81 -6.832 5.013 -2.169 1.00 50.00 C ATOM 1260 O VAL A 81 -7.960 4.573 -2.394 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.074 4.682 -3.909 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.812 3.391 -4.228 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.447 5.261 -5.168 1.00 50.00 C ATOM 0 H VAL A 81 -4.294 6.744 -2.721 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.712 6.081 -4.026 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.278 4.458 -3.199 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.122 2.680 -4.683 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.217 2.967 -3.309 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.627 3.600 -4.921 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.775 4.526 -5.611 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -5.231 5.512 -5.882 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.885 6.160 -4.914 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.244 4.921 -0.981 1.00 50.00 N ATOM 1274 CA PHE A 82 -6.894 4.264 0.147 1.00 50.00 C ATOM 1275 C PHE A 82 -7.866 5.208 0.846 1.00 50.00 C ATOM 1276 O PHE A 82 -8.366 4.907 1.930 1.00 50.00 O ATOM 1277 CB PHE A 82 -5.851 3.751 1.141 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.075 2.565 0.645 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.579 1.762 -0.367 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -3.841 2.246 1.192 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.866 0.670 -0.824 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.126 1.155 0.737 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.640 0.366 -0.272 1.00 50.00 C ATOM 0 H PHE A 82 -5.317 5.294 -0.774 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.460 3.416 -0.240 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.156 4.558 1.373 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.350 3.483 2.072 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.540 1.993 -0.803 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.434 2.858 1.983 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.270 0.054 -1.614 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.165 0.920 1.171 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.083 -0.488 -0.628 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.127 6.351 0.222 1.00 50.00 N ATOM 1294 CA GLU A 83 -9.175 7.253 0.681 1.00 50.00 C ATOM 1295 C GLU A 83 -10.387 7.205 -0.241 1.00 50.00 C ATOM 1296 O GLU A 83 -11.198 8.129 -0.265 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.646 8.685 0.779 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.695 8.925 1.943 1.00 50.00 C ATOM 1299 CD GLU A 83 -8.399 8.779 3.264 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -9.481 9.298 3.399 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.911 8.054 4.098 1.00 75.00 O ATOM 0 H GLU A 83 -7.626 6.675 -0.605 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.487 6.923 1.672 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -8.134 8.935 -0.150 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -9.492 9.367 0.870 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.867 8.218 1.890 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -7.267 9.924 1.865 1.00 50.00 H new