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 13 ASN : amide:sc= -0.0199 K(o=-0.038,f=-1.4) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0186 K(o=-0.038,f=-2.2!) USER MOD Set 2.1: A 37 SER OG : rot -17:sc= 0.888 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.0889 K(o=0.98,f=-12!) 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= -0.0675 USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.74 USER MOD Single : A 11 ASN : amide:sc= -0.351 K(o=-0.35,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00879 X(o=0.0088,f=-0.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -118:sc= 0 (180deg=-1.29) 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 -73:sc= 1.27 USER MOD Single : A 27 THR OG1 : rot -30:sc= 0.0297 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 68:sc= 1.01 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 43 ASN : amide:sc= 0.0664 K(o=0.066,f=-2.2!) 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= -0.151 X(o=-0.15,f=0) USER MOD Single : A 58 MET CE :methyl -165:sc= -0.0246 (180deg=-0.274) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 1.02 (180deg=1.02) USER MOD Single : A 70 ASN : amide:sc= -0.0146 X(o=-0.015,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 -11.738 4.043 5.153 1.00 50.00 N ATOM 21 CA LYS A 2 -11.078 5.339 5.254 1.00 50.00 C ATOM 22 C LYS A 2 -9.780 5.235 6.046 1.00 50.00 C ATOM 23 O LYS A 2 -9.754 4.679 7.145 1.00 50.00 O ATOM 24 CB LYS A 2 -12.008 6.365 5.903 1.00 50.00 C ATOM 25 CG LYS A 2 -11.451 7.783 5.943 1.00 50.00 C ATOM 26 CD LYS A 2 -12.439 8.747 6.580 1.00 50.00 C ATOM 27 CE LYS A 2 -11.871 10.157 6.651 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.851 11.125 7.211 1.00 75.00 N ATOM 0 HA LYS A 2 -10.836 5.670 4.244 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.954 6.374 5.361 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -12.228 6.045 6.922 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.517 7.793 6.504 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -11.219 8.113 4.931 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.365 8.755 6.005 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.690 8.403 7.583 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -10.971 10.155 7.267 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.574 10.479 5.653 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.424 12.073 7.242 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.699 11.147 6.610 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.116 10.833 8.173 1.00 75.00 H new ATOM 42 N ILE A 3 -8.704 5.773 5.482 1.00 50.00 N ATOM 43 CA ILE A 3 -7.399 5.740 6.133 1.00 50.00 C ATOM 44 C ILE A 3 -7.404 6.555 7.420 1.00 50.00 C ATOM 45 O ILE A 3 -8.102 7.564 7.524 1.00 50.00 O ATOM 46 CB ILE A 3 -6.291 6.268 5.204 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.914 5.846 5.723 1.00 50.00 C ATOM 48 CG2 ILE A 3 -6.375 7.782 5.084 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.795 6.062 4.730 1.00 50.00 C ATOM 0 H ILE A 3 -8.710 6.238 4.574 1.00 50.00 H new ATOM 0 HA ILE A 3 -7.193 4.696 6.370 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.434 5.836 4.213 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.692 6.404 6.633 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.947 4.791 5.996 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -5.585 8.139 4.424 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -7.345 8.061 4.673 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -6.256 8.232 6.069 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -2.851 5.740 5.170 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.992 5.482 3.828 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.734 7.120 4.475 1.00 50.00 H new ATOM 61 N ILE A 4 -6.621 6.113 8.398 1.00 10.00 N ATOM 62 CA ILE A 4 -6.436 6.867 9.632 1.00 10.00 C ATOM 63 C ILE A 4 -5.071 7.544 9.664 1.00 10.00 C ATOM 64 O ILE A 4 -4.974 8.757 9.846 1.00 50.00 O ATOM 65 CB ILE A 4 -6.582 5.966 10.872 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.994 5.380 10.942 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.263 6.747 12.137 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.171 4.343 12.029 1.00 50.00 C ATOM 0 H ILE A 4 -6.104 5.235 8.360 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.216 7.628 9.655 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.872 5.143 10.789 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.706 6.189 11.105 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.239 4.930 9.980 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.371 6.095 13.004 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.239 7.118 12.087 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -6.950 7.589 12.228 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.197 3.974 12.016 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.485 3.514 11.856 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -7.959 4.793 12.999 1.00 50.00 H new ATOM 80 N SER A 5 -4.019 6.752 9.487 1.00 10.00 N ATOM 81 CA SER A 5 -2.659 7.276 9.474 1.00 10.00 C ATOM 82 C SER A 5 -1.682 6.260 8.897 1.00 10.00 C ATOM 83 O SER A 5 -1.987 5.069 8.814 1.00 50.00 O ATOM 84 CB SER A 5 -2.240 7.675 10.875 1.00 50.00 C ATOM 85 OG SER A 5 -2.121 6.567 11.725 1.00 50.00 O ATOM 0 H SER A 5 -4.083 5.743 9.350 1.00 10.00 H new ATOM 0 HA SER A 5 -2.641 8.158 8.834 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.287 8.202 10.832 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.971 8.371 11.287 1.00 50.00 H new ATOM 0 HG SER A 5 -1.848 6.867 12.617 1.00 50.00 H new ATOM 91 N ILE A 6 -0.507 6.735 8.499 1.00 10.00 N ATOM 92 CA ILE A 6 0.550 5.856 8.013 1.00 10.00 C ATOM 93 C ILE A 6 1.799 5.968 8.877 1.00 10.00 C ATOM 94 O ILE A 6 2.341 7.057 9.067 1.00 50.00 O ATOM 95 CB ILE A 6 0.918 6.172 6.552 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.310 6.024 5.649 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.043 5.263 6.079 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.063 6.426 4.213 1.00 50.00 C ATOM 0 H ILE A 6 -0.262 7.725 8.503 1.00 10.00 H new ATOM 0 HA ILE A 6 0.164 4.838 8.069 1.00 10.00 H new ATOM 0 HB ILE A 6 1.264 7.204 6.496 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.645 4.987 5.674 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.121 6.631 6.052 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.291 5.499 5.044 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.921 5.414 6.706 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.724 4.223 6.147 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.978 6.294 3.636 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.242 7.472 4.175 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.725 5.803 3.791 1.00 50.00 H new ATOM 110 N SER A 7 2.254 4.834 9.400 1.00 10.00 N ATOM 111 CA SER A 7 3.422 4.806 10.270 1.00 10.00 C ATOM 112 C SER A 7 4.610 4.152 9.577 1.00 10.00 C ATOM 113 O SER A 7 4.450 3.455 8.575 1.00 50.00 O ATOM 114 CB SER A 7 3.095 4.077 11.559 1.00 50.00 C ATOM 115 OG SER A 7 2.779 2.730 11.337 1.00 50.00 O ATOM 0 H SER A 7 1.830 3.921 9.235 1.00 10.00 H new ATOM 0 HA SER A 7 3.696 5.835 10.504 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.945 4.142 12.238 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.256 4.569 12.051 1.00 50.00 H new ATOM 0 HG SER A 7 2.576 2.296 12.192 1.00 50.00 H new ATOM 121 N GLU A 8 5.803 4.379 10.117 1.00 10.00 N ATOM 122 CA GLU A 8 7.018 3.792 9.566 1.00 50.00 C ATOM 123 C GLU A 8 7.336 2.459 10.229 1.00 10.00 C ATOM 124 O GLU A 8 6.739 2.101 11.244 1.00 50.00 O ATOM 125 CB GLU A 8 8.197 4.754 9.726 1.00 50.00 C ATOM 126 CG GLU A 8 8.062 6.052 8.942 1.00 50.00 C ATOM 127 CD GLU A 8 9.245 6.953 9.167 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.065 6.629 9.992 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.388 7.906 8.437 1.00 50.00 O ATOM 0 H GLU A 8 5.954 4.966 10.937 1.00 10.00 H new ATOM 0 HA GLU A 8 6.849 3.612 8.504 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.314 4.993 10.783 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.109 4.247 9.411 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.969 5.829 7.879 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.149 6.566 9.241 1.00 50.00 H new ATOM 136 N THR A 9 8.281 1.726 9.649 1.00 50.00 N ATOM 137 CA THR A 9 8.674 0.425 10.177 1.00 10.00 C ATOM 138 C THR A 9 10.190 0.294 10.248 1.00 10.00 C ATOM 139 O THR A 9 10.920 1.108 9.682 1.00 50.00 O ATOM 140 CB THR A 9 8.109 -0.724 9.323 1.00 50.00 C ATOM 141 OG1 THR A 9 8.845 -0.819 8.097 1.00 50.00 O ATOM 142 CG2 THR A 9 6.640 -0.484 9.010 1.00 50.00 C ATOM 0 H THR A 9 8.789 2.012 8.812 1.00 50.00 H new ATOM 0 HA THR A 9 8.260 0.356 11.183 1.00 10.00 H new ATOM 0 HB THR A 9 8.203 -1.653 9.885 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.387 -0.305 7.400 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.258 -1.307 8.405 1.00 50.00 H new ATOM 0 HG22 THR A 9 6.075 -0.424 9.940 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.533 0.451 8.460 1.00 50.00 H new ATOM 150 N PRO A 10 10.657 -0.735 10.945 1.00 50.00 N ATOM 151 CA PRO A 10 12.088 -0.977 11.087 1.00 50.00 C ATOM 152 C PRO A 10 12.774 -1.046 9.729 1.00 50.00 C ATOM 153 O PRO A 10 13.938 -0.672 9.591 1.00 50.00 O ATOM 154 CB PRO A 10 12.170 -2.308 11.842 1.00 50.00 C ATOM 155 CG PRO A 10 10.900 -2.371 12.622 1.00 50.00 C ATOM 156 CD PRO A 10 9.860 -1.727 11.743 1.00 50.00 C ATOM 0 HA PRO A 10 12.600 -0.175 11.619 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.257 -3.150 11.155 1.00 50.00 H new ATOM 0 HB3 PRO A 10 13.041 -2.340 12.497 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.633 -3.402 12.856 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.995 -1.843 13.571 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.366 -2.457 11.102 1.00 50.00 H new ATOM 0 HD3 PRO A 10 9.081 -1.240 12.330 1.00 50.00 H new ATOM 164 N ASN A 11 12.044 -1.526 8.727 1.00 50.00 N ATOM 165 CA ASN A 11 12.525 -1.507 7.351 1.00 50.00 C ATOM 166 C ASN A 11 11.908 -0.356 6.568 1.00 50.00 C ATOM 167 O ASN A 11 10.714 -0.367 6.266 1.00 50.00 O ATOM 168 CB ASN A 11 12.252 -2.826 6.650 1.00 50.00 C ATOM 169 CG ASN A 11 12.832 -2.906 5.265 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.220 -1.892 4.674 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.818 -4.093 4.715 1.00 50.00 N ATOM 0 H ASN A 11 11.116 -1.933 8.843 1.00 50.00 H new ATOM 0 HA ASN A 11 13.604 -1.359 7.389 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.659 -3.638 7.252 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.175 -2.981 6.593 1.00 50.00 H new ATOM 0 HD21 ASN A 11 13.138 -4.214 3.754 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.488 -4.898 5.247 1.00 50.00 H new ATOM 178 N HIS A 12 12.728 0.636 6.239 1.00 50.00 N ATOM 179 CA HIS A 12 12.232 1.883 5.670 1.00 50.00 C ATOM 180 C HIS A 12 11.708 1.671 4.255 1.00 50.00 C ATOM 181 O HIS A 12 11.061 2.550 3.684 1.00 50.00 O ATOM 182 CB HIS A 12 13.330 2.952 5.667 1.00 50.00 C ATOM 183 CG HIS A 12 14.448 2.663 4.715 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.479 1.798 5.018 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.698 3.125 3.467 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.315 1.740 3.996 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.864 2.535 3.043 1.00 75.00 N ATOM 0 H HIS A 12 13.741 0.600 6.357 1.00 50.00 H new ATOM 0 HA HIS A 12 11.408 2.227 6.295 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.887 3.915 5.412 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.737 3.045 6.674 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.094 3.826 2.910 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.214 1.144 3.948 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.309 2.687 2.138 1.00 75.00 H new ATOM 195 N ASN A 13 11.991 0.501 3.694 1.00 10.00 N ATOM 196 CA ASN A 13 11.548 0.171 2.344 1.00 10.00 C ATOM 197 C ASN A 13 10.051 -0.106 2.309 1.00 10.00 C ATOM 198 O ASN A 13 9.431 -0.086 1.244 1.00 50.00 O ATOM 199 CB ASN A 13 12.314 -1.010 1.781 1.00 50.00 C ATOM 200 CG ASN A 13 13.742 -0.695 1.433 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.124 0.470 1.287 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.513 -1.731 1.218 1.00 50.00 N ATOM 0 H ASN A 13 12.526 -0.236 4.154 1.00 10.00 H new ATOM 0 HA ASN A 13 11.754 1.038 1.717 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.297 -1.822 2.508 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.803 -1.371 0.888 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.478 -1.595 0.915 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.149 -2.674 1.353 1.00 50.00 H new ATOM 209 N THR A 14 9.473 -0.366 3.477 1.00 10.00 N ATOM 210 CA THR A 14 8.044 -0.635 3.582 1.00 10.00 C ATOM 211 C THR A 14 7.412 0.174 4.707 1.00 10.00 C ATOM 212 O THR A 14 8.048 0.438 5.728 1.00 50.00 O ATOM 213 CB THR A 14 7.769 -2.131 3.824 1.00 50.00 C ATOM 214 OG1 THR A 14 6.355 -2.351 3.911 1.00 50.00 O ATOM 215 CG2 THR A 14 8.430 -2.594 5.113 1.00 50.00 C ATOM 0 H THR A 14 9.973 -0.396 4.365 1.00 10.00 H new ATOM 0 HA THR A 14 7.598 -0.340 2.632 1.00 10.00 H new ATOM 0 HB THR A 14 8.183 -2.700 2.991 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.181 -3.303 4.063 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.225 -3.653 5.267 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.507 -2.439 5.046 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.033 -2.022 5.951 1.00 50.00 H new ATOM 223 N MET A 15 6.158 0.566 4.514 1.00 10.00 N ATOM 224 CA MET A 15 5.455 1.391 5.488 1.00 10.00 C ATOM 225 C MET A 15 4.116 0.773 5.870 1.00 10.00 C ATOM 226 O MET A 15 3.535 0.005 5.103 1.00 50.00 O ATOM 227 CB MET A 15 5.248 2.800 4.935 1.00 50.00 C ATOM 228 CG MET A 15 6.535 3.571 4.679 1.00 50.00 C ATOM 229 SD MET A 15 6.236 5.229 4.034 1.00 50.00 S ATOM 230 CE MET A 15 5.623 6.056 5.499 1.00 50.00 C ATOM 0 H MET A 15 5.607 0.325 3.690 1.00 10.00 H new ATOM 0 HA MET A 15 6.069 1.448 6.387 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.688 2.732 4.002 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.633 3.365 5.636 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.101 3.643 5.608 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.152 3.016 3.972 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.601 6.394 5.325 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.638 5.364 6.341 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.256 6.914 5.724 1.00 50.00 H new ATOM 240 N LYS A 16 3.630 1.114 7.058 1.00 10.00 N ATOM 241 CA LYS A 16 2.423 0.497 7.598 1.00 10.00 C ATOM 242 C LYS A 16 1.240 1.453 7.530 1.00 10.00 C ATOM 243 O LYS A 16 1.313 2.584 8.010 1.00 50.00 O ATOM 244 CB LYS A 16 2.652 0.046 9.042 1.00 50.00 C ATOM 245 CG LYS A 16 1.456 -0.643 9.682 1.00 50.00 C ATOM 246 CD LYS A 16 1.725 -0.974 11.142 1.00 50.00 C ATOM 247 CE LYS A 16 0.522 -1.646 11.789 1.00 50.00 C ATOM 248 NZ LYS A 16 0.772 -1.980 13.217 1.00 50.00 N ATOM 0 H LYS A 16 4.053 1.815 7.666 1.00 10.00 H new ATOM 0 HA LYS A 16 2.192 -0.376 6.987 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.504 -0.634 9.067 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.920 0.915 9.643 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.580 0.001 9.608 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.225 -1.558 9.136 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.593 -1.630 11.214 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.969 -0.061 11.685 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.344 -0.987 11.717 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.277 -2.556 11.241 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.072 -2.436 13.620 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.582 -2.629 13.285 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.981 -1.109 13.746 1.00 50.00 H new ATOM 262 N ILE A 17 0.148 0.991 6.930 1.00 10.00 N ATOM 263 CA ILE A 17 -1.032 1.825 6.739 1.00 10.00 C ATOM 264 C ILE A 17 -2.171 1.385 7.649 1.00 10.00 C ATOM 265 O ILE A 17 -2.637 0.248 7.571 1.00 50.00 O ATOM 266 CB ILE A 17 -1.514 1.797 5.277 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.405 2.282 4.339 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.765 2.646 5.112 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.713 2.077 2.873 1.00 50.00 C ATOM 0 H ILE A 17 0.056 0.042 6.567 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.741 2.844 6.995 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.761 0.769 5.014 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.228 3.342 4.519 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.519 1.759 4.583 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.092 2.615 4.073 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.556 2.257 5.753 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.545 3.676 5.392 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.118 2.445 2.272 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.861 1.015 2.677 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.619 2.623 2.612 1.00 50.00 H new ATOM 281 N THR A 18 -2.617 2.292 8.512 1.00 10.00 N ATOM 282 CA THR A 18 -3.704 1.998 9.439 1.00 10.00 C ATOM 283 C THR A 18 -5.043 2.466 8.882 1.00 10.00 C ATOM 284 O THR A 18 -5.217 3.641 8.562 1.00 50.00 O ATOM 285 CB THR A 18 -3.471 2.659 10.810 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.268 2.142 11.393 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.641 2.382 11.741 1.00 50.00 C ATOM 0 H THR A 18 -2.242 3.237 8.589 1.00 10.00 H new ATOM 0 HA THR A 18 -3.725 0.916 9.567 1.00 10.00 H new ATOM 0 HB THR A 18 -3.381 3.736 10.668 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.119 2.564 12.265 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.459 2.857 12.705 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.556 2.784 11.305 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.748 1.306 11.881 1.00 50.00 H new ATOM 295 N LEU A 19 -5.987 1.538 8.771 1.00 10.00 N ATOM 296 CA LEU A 19 -7.298 1.842 8.209 1.00 50.00 C ATOM 297 C LEU A 19 -8.381 1.791 9.278 1.00 10.00 C ATOM 298 O LEU A 19 -8.253 1.074 10.270 1.00 50.00 O ATOM 299 CB LEU A 19 -7.626 0.868 7.070 1.00 50.00 C ATOM 300 CG LEU A 19 -6.614 0.849 5.917 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.995 -0.225 4.907 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.568 2.218 5.256 1.00 50.00 C ATOM 0 H LEU A 19 -5.869 0.568 9.063 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.268 2.856 7.810 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.701 -0.138 7.483 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.607 1.121 6.668 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.623 0.616 6.307 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.271 -0.231 4.092 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.999 -1.199 5.396 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.988 -0.014 4.509 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.849 2.203 4.437 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.555 2.468 4.867 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.267 2.966 5.989 1.00 50.00 H new ATOM 314 N SER A 20 -9.448 2.555 9.070 1.00 10.00 N ATOM 315 CA SER A 20 -10.638 2.454 9.906 1.00 10.00 C ATOM 316 C SER A 20 -11.517 1.288 9.474 1.00 50.00 C ATOM 317 O SER A 20 -12.060 0.564 10.309 1.00 50.00 O ATOM 318 CB SER A 20 -11.421 3.751 9.861 1.00 50.00 C ATOM 319 OG SER A 20 -11.956 3.999 8.590 1.00 50.00 O ATOM 0 H SER A 20 -9.513 3.252 8.328 1.00 10.00 H new ATOM 0 HA SER A 20 -10.317 2.270 10.931 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.228 3.712 10.593 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.770 4.577 10.148 1.00 50.00 H new ATOM 0 HG SER A 20 -11.237 4.258 7.977 1.00 50.00 H new ATOM 414 N THR A 27 -8.961 -10.994 6.187 1.00 50.00 N ATOM 415 CA THR A 27 -7.973 -12.066 6.182 1.00 50.00 C ATOM 416 C THR A 27 -6.702 -11.641 5.456 1.00 50.00 C ATOM 417 O THR A 27 -6.692 -10.642 4.737 1.00 50.00 O ATOM 418 CB THR A 27 -8.526 -13.342 5.522 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.826 -13.080 4.144 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.788 -13.806 6.232 1.00 75.00 C ATOM 0 HA THR A 27 -7.738 -12.280 7.225 1.00 50.00 H new ATOM 0 HB THR A 27 -7.772 -14.126 5.594 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.083 -12.140 4.038 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.165 -14.709 5.752 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.561 -14.019 7.277 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.545 -13.023 6.177 1.00 75.00 H new ATOM 428 N SER A 28 -5.633 -12.405 5.651 1.00 10.00 N ATOM 429 CA SER A 28 -4.338 -12.072 5.069 1.00 10.00 C ATOM 430 C SER A 28 -4.315 -12.365 3.575 1.00 10.00 C ATOM 431 O SER A 28 -4.961 -13.302 3.106 1.00 50.00 O ATOM 432 CB SER A 28 -3.236 -12.837 5.775 1.00 50.00 C ATOM 433 OG SER A 28 -3.307 -14.214 5.525 1.00 50.00 O ATOM 0 H SER A 28 -5.638 -13.260 6.208 1.00 10.00 H new ATOM 0 HA SER A 28 -4.169 -11.004 5.203 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.267 -12.459 5.449 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.303 -12.660 6.848 1.00 50.00 H new ATOM 0 HG SER A 28 -2.579 -14.670 5.996 1.00 50.00 H new ATOM 439 N ASP A 29 -3.564 -11.558 2.830 1.00 10.00 N ATOM 440 CA ASP A 29 -3.286 -11.849 1.429 1.00 10.00 C ATOM 441 C ASP A 29 -2.127 -11.007 0.912 1.00 10.00 C ATOM 442 O ASP A 29 -1.847 -9.929 1.437 1.00 50.00 O ATOM 443 CB ASP A 29 -4.532 -11.610 0.573 1.00 50.00 C ATOM 444 CG ASP A 29 -4.554 -12.385 -0.736 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.594 -13.062 -1.019 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.584 -12.423 -1.364 1.00 50.00 O ATOM 0 H ASP A 29 -3.138 -10.698 3.174 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.004 -12.899 1.357 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.414 -11.878 1.155 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.607 -10.545 0.352 1.00 50.00 H new ATOM 451 N THR A 30 -1.454 -11.505 -0.119 1.00 10.00 N ATOM 452 CA THR A 30 -0.309 -10.809 -0.694 1.00 10.00 C ATOM 453 C THR A 30 -0.556 -10.458 -2.157 1.00 10.00 C ATOM 454 O THR A 30 -0.954 -11.311 -2.951 1.00 50.00 O ATOM 455 CB THR A 30 0.975 -11.652 -0.589 1.00 50.00 C ATOM 456 OG1 THR A 30 1.251 -11.937 0.787 1.00 50.00 O ATOM 457 CG2 THR A 30 2.154 -10.904 -1.195 1.00 50.00 C ATOM 0 H THR A 30 -1.682 -12.389 -0.574 1.00 10.00 H new ATOM 0 HA THR A 30 -0.178 -9.892 -0.120 1.00 10.00 H new ATOM 0 HB THR A 30 0.827 -12.583 -1.137 1.00 50.00 H new ATOM 0 HG1 THR A 30 2.068 -12.475 0.852 1.00 50.00 H new ATOM 0 HG21 THR A 30 3.053 -11.514 -1.112 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.952 -10.696 -2.246 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.302 -9.965 -0.661 1.00 50.00 H new ATOM 465 N TYR A 31 -0.317 -9.199 -2.507 1.00 10.00 N ATOM 466 CA TYR A 31 -0.570 -8.718 -3.859 1.00 10.00 C ATOM 467 C TYR A 31 0.670 -8.061 -4.452 1.00 10.00 C ATOM 468 O TYR A 31 1.102 -7.004 -3.994 1.00 50.00 O ATOM 469 CB TYR A 31 -1.740 -7.732 -3.866 1.00 50.00 C ATOM 470 CG TYR A 31 -3.013 -8.286 -3.265 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.801 -9.183 -3.971 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.424 -7.911 -1.995 1.00 50.00 C ATOM 473 CE1 TYR A 31 -4.965 -9.694 -3.427 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.586 -8.414 -1.441 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.353 -9.306 -2.162 1.00 50.00 C ATOM 476 OH TYR A 31 -6.511 -9.809 -1.616 1.00 50.00 O ATOM 0 H TYR A 31 0.052 -8.492 -1.871 1.00 10.00 H new ATOM 0 HA TYR A 31 -0.827 -9.579 -4.476 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.451 -6.836 -3.317 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.938 -7.426 -4.893 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.500 -9.488 -4.963 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.825 -7.213 -1.428 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.567 -10.393 -3.989 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.892 -8.111 -0.450 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.400 -10.767 -1.440 1.00 50.00 H new ATOM 486 N THR A 32 1.238 -8.695 -5.473 1.00 10.00 N ATOM 487 CA THR A 32 2.458 -8.200 -6.097 1.00 10.00 C ATOM 488 C THR A 32 2.223 -7.834 -7.556 1.00 10.00 C ATOM 489 O THR A 32 2.936 -7.007 -8.122 1.00 50.00 O ATOM 490 CB THR A 32 3.594 -9.237 -6.015 1.00 50.00 C ATOM 491 OG1 THR A 32 3.203 -10.433 -6.702 1.00 50.00 O ATOM 492 CG2 THR A 32 3.909 -9.570 -4.566 1.00 50.00 C ATOM 0 H THR A 32 0.872 -9.553 -5.885 1.00 10.00 H new ATOM 0 HA THR A 32 2.752 -7.307 -5.546 1.00 10.00 H new ATOM 0 HB THR A 32 4.484 -8.816 -6.482 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.927 -11.091 -6.651 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.714 -10.304 -4.528 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.219 -8.665 -4.044 1.00 50.00 H new ATOM 0 HG23 THR A 32 3.021 -9.980 -4.086 1.00 50.00 H new ATOM 500 N LYS A 33 1.216 -8.455 -8.161 1.00 10.00 N ATOM 501 CA LYS A 33 0.917 -8.237 -9.571 1.00 50.00 C ATOM 502 C LYS A 33 -0.507 -7.730 -9.761 1.00 50.00 C ATOM 503 O LYS A 33 -1.428 -8.163 -9.067 1.00 50.00 O ATOM 504 CB LYS A 33 1.128 -9.524 -10.369 1.00 50.00 C ATOM 505 CG LYS A 33 2.573 -9.999 -10.428 1.00 50.00 C ATOM 506 CD LYS A 33 2.709 -11.259 -11.269 1.00 50.00 C ATOM 507 CE LYS A 33 4.153 -11.737 -11.322 1.00 75.00 C ATOM 508 NZ LYS A 33 4.302 -12.966 -12.148 1.00 75.00 N ATOM 0 H LYS A 33 0.592 -9.114 -7.696 1.00 10.00 H new ATOM 0 HA LYS A 33 1.602 -7.475 -9.942 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.517 -10.313 -9.931 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.768 -9.369 -11.386 1.00 50.00 H new ATOM 0 HG2 LYS A 33 3.200 -9.211 -10.846 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.935 -10.193 -9.418 1.00 50.00 H new ATOM 0 HD2 LYS A 33 2.079 -12.045 -10.854 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.351 -11.064 -12.280 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.782 -10.946 -11.731 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.507 -11.935 -10.310 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.300 -13.258 -12.158 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.722 -13.729 -11.744 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.988 -12.771 -13.120 1.00 75.00 H new ATOM 522 N VAL A 34 -0.682 -6.813 -10.705 1.00 50.00 N ATOM 523 CA VAL A 34 -1.997 -6.250 -10.992 1.00 50.00 C ATOM 524 C VAL A 34 -2.957 -7.321 -11.491 1.00 50.00 C ATOM 525 O VAL A 34 -2.654 -8.049 -12.437 1.00 50.00 O ATOM 526 CB VAL A 34 -1.913 -5.122 -12.038 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.306 -4.641 -12.416 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.076 -3.967 -11.509 1.00 50.00 C ATOM 0 H VAL A 34 0.071 -6.443 -11.286 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.373 -5.837 -10.056 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.430 -5.516 -12.932 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.228 -3.844 -13.156 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -3.876 -5.470 -12.835 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -3.814 -4.263 -11.529 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.027 -3.179 -12.261 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -1.532 -3.574 -10.600 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.069 -4.319 -11.287 1.00 50.00 H new ATOM 538 N ASP A 35 -4.118 -7.413 -10.850 1.00 50.00 N ATOM 539 CA ASP A 35 -5.124 -8.398 -11.227 1.00 50.00 C ATOM 540 C ASP A 35 -6.519 -7.945 -10.816 1.00 50.00 C ATOM 541 O ASP A 35 -6.675 -6.947 -10.111 1.00 50.00 O ATOM 542 CB ASP A 35 -4.807 -9.757 -10.597 1.00 50.00 C ATOM 543 CG ASP A 35 -5.377 -10.950 -11.353 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.014 -10.741 -12.358 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.043 -12.058 -11.012 1.00 50.00 O ATOM 0 H ASP A 35 -4.385 -6.817 -10.067 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.103 -8.497 -12.312 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -3.725 -9.869 -10.529 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.193 -9.770 -9.578 1.00 50.00 H new ATOM 550 N ASP A 36 -7.531 -8.683 -11.260 1.00 50.00 N ATOM 551 CA ASP A 36 -8.918 -8.316 -11.002 1.00 50.00 C ATOM 552 C ASP A 36 -9.330 -8.684 -9.583 1.00 50.00 C ATOM 553 O ASP A 36 -10.400 -8.293 -9.115 1.00 50.00 O ATOM 554 CB ASP A 36 -9.848 -8.992 -12.011 1.00 50.00 C ATOM 555 CG ASP A 36 -9.767 -8.424 -13.421 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.212 -7.362 -13.581 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.117 -9.122 -14.343 1.00 50.00 O ATOM 0 H ASP A 36 -7.416 -9.540 -11.801 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.002 -7.235 -11.112 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.613 -10.056 -12.047 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.875 -8.904 -11.656 1.00 50.00 H new ATOM 562 N SER A 37 -8.475 -9.439 -8.901 1.00 50.00 N ATOM 563 CA SER A 37 -8.772 -9.906 -7.551 1.00 50.00 C ATOM 564 C SER A 37 -8.650 -8.774 -6.538 1.00 50.00 C ATOM 565 O SER A 37 -9.203 -8.848 -5.441 1.00 50.00 O ATOM 566 CB SER A 37 -7.849 -11.049 -7.179 1.00 50.00 C ATOM 567 OG SER A 37 -6.519 -10.629 -7.040 1.00 50.00 O ATOM 0 H SER A 37 -7.570 -9.741 -9.261 1.00 50.00 H new ATOM 0 HA SER A 37 -9.802 -10.262 -7.534 1.00 50.00 H new ATOM 0 HB2 SER A 37 -8.187 -11.498 -6.245 1.00 50.00 H new ATOM 0 HB3 SER A 37 -7.906 -11.824 -7.943 1.00 50.00 H new ATOM 0 HG SER A 37 -6.406 -9.753 -7.465 1.00 50.00 H new ATOM 573 N GLN A 38 -7.922 -7.727 -6.914 1.00 50.00 N ATOM 574 CA GLN A 38 -7.779 -6.551 -6.064 1.00 50.00 C ATOM 575 C GLN A 38 -8.803 -5.482 -6.428 1.00 50.00 C ATOM 576 O GLN A 38 -9.275 -5.421 -7.563 1.00 50.00 O ATOM 577 CB GLN A 38 -6.366 -5.974 -6.181 1.00 50.00 C ATOM 578 CG GLN A 38 -5.261 -6.955 -5.827 1.00 50.00 C ATOM 579 CD GLN A 38 -4.686 -7.646 -7.048 1.00 50.00 C ATOM 580 OE1 GLN A 38 -5.423 -8.202 -7.868 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.364 -7.618 -7.175 1.00 50.00 N ATOM 0 H GLN A 38 -7.422 -7.669 -7.801 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.955 -6.862 -5.034 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.212 -5.624 -7.202 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.286 -5.104 -5.530 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.464 -6.427 -5.303 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.652 -7.705 -5.139 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -2.794 -7.147 -6.473 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.919 -8.068 -7.975 1.00 50.00 H new ATOM 590 N PRO A 39 -9.142 -4.641 -5.457 1.00 50.00 N ATOM 591 CA PRO A 39 -9.880 -3.414 -5.729 1.00 50.00 C ATOM 592 C PRO A 39 -9.220 -2.610 -6.843 1.00 50.00 C ATOM 593 O PRO A 39 -7.995 -2.589 -6.965 1.00 50.00 O ATOM 594 CB PRO A 39 -9.869 -2.664 -4.393 1.00 50.00 C ATOM 595 CG PRO A 39 -9.618 -3.724 -3.376 1.00 50.00 C ATOM 596 CD PRO A 39 -8.705 -4.715 -4.047 1.00 50.00 C ATOM 0 HA PRO A 39 -10.895 -3.602 -6.080 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -9.091 -1.901 -4.372 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.817 -2.158 -4.214 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -9.156 -3.308 -2.481 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.549 -4.197 -3.064 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.656 -4.444 -3.932 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.822 -5.718 -3.637 1.00 50.00 H new ATOM 604 N ALA A 40 -10.040 -1.948 -7.653 1.00 50.00 N ATOM 605 CA ALA A 40 -9.535 -1.083 -8.713 1.00 50.00 C ATOM 606 C ALA A 40 -8.508 -0.096 -8.176 1.00 50.00 C ATOM 607 O ALA A 40 -7.458 0.114 -8.782 1.00 50.00 O ATOM 608 CB ALA A 40 -10.683 -0.347 -9.388 1.00 50.00 C ATOM 0 H ALA A 40 -11.057 -1.994 -7.595 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.039 -1.710 -9.453 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.290 0.295 -10.177 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.375 -1.070 -9.819 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.207 0.263 -8.652 1.00 50.00 H new ATOM 614 N PHE A 41 -8.819 0.511 -7.035 1.00 50.00 N ATOM 615 CA PHE A 41 -7.991 1.577 -6.485 1.00 50.00 C ATOM 616 C PHE A 41 -6.708 1.022 -5.879 1.00 50.00 C ATOM 617 O PHE A 41 -5.731 1.749 -5.697 1.00 50.00 O ATOM 618 CB PHE A 41 -8.770 2.369 -5.432 1.00 50.00 C ATOM 619 CG PHE A 41 -9.248 1.536 -4.277 1.00 50.00 C ATOM 620 CD1 PHE A 41 -8.396 1.228 -3.227 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.549 1.057 -4.238 1.00 75.00 C ATOM 622 CE1 PHE A 41 -8.834 0.460 -2.164 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.990 0.291 -3.177 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.131 -0.007 -2.138 1.00 75.00 C ATOM 0 H PHE A 41 -9.639 0.282 -6.473 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.720 2.245 -7.303 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.137 3.171 -5.052 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -9.630 2.840 -5.908 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -7.379 1.592 -3.240 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -11.226 1.286 -5.048 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -8.160 0.226 -1.354 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -12.006 -0.075 -3.160 1.00 75.00 H new ATOM 0 HZ PHE A 41 -10.474 -0.605 -1.307 1.00 75.00 H new ATOM 634 N ILE A 42 -6.717 -0.269 -5.568 1.00 50.00 N ATOM 635 CA ILE A 42 -5.498 -0.974 -5.192 1.00 50.00 C ATOM 636 C ILE A 42 -4.642 -1.282 -6.414 1.00 10.00 C ATOM 637 O ILE A 42 -3.414 -1.286 -6.338 1.00 50.00 O ATOM 638 CB ILE A 42 -5.811 -2.287 -4.453 1.00 50.00 C ATOM 639 CG1 ILE A 42 -6.501 -1.996 -3.118 1.00 50.00 C ATOM 640 CG2 ILE A 42 -4.538 -3.090 -4.232 1.00 50.00 C ATOM 641 CD1 ILE A 42 -5.688 -1.129 -2.185 1.00 50.00 C ATOM 0 H ILE A 42 -7.556 -0.849 -5.569 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.946 -0.314 -4.523 1.00 50.00 H new ATOM 0 HB ILE A 42 -6.488 -2.879 -5.070 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -7.456 -1.508 -3.313 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -6.722 -2.941 -2.621 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.778 -4.015 -3.708 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -4.084 -3.325 -5.195 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.838 -2.506 -3.634 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -6.244 -0.968 -1.261 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -4.744 -1.624 -1.959 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -5.489 -0.169 -2.661 1.00 50.00 H new ATOM 653 N ASN A 43 -5.298 -1.540 -7.541 1.00 10.00 N ATOM 654 CA ASN A 43 -4.601 -1.723 -8.808 1.00 10.00 C ATOM 655 C ASN A 43 -3.884 -0.447 -9.231 1.00 10.00 C ATOM 656 O ASN A 43 -2.765 -0.495 -9.744 1.00 50.00 O ATOM 657 CB ASN A 43 -5.550 -2.179 -9.902 1.00 50.00 C ATOM 658 CG ASN A 43 -5.966 -3.618 -9.781 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.276 -4.434 -9.159 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.046 -3.951 -10.441 1.00 50.00 N ATOM 0 H ASN A 43 -6.312 -1.627 -7.602 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.856 -2.504 -8.656 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.440 -1.550 -9.884 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.073 -2.028 -10.870 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.354 -4.923 -10.458 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.580 -3.238 -10.938 1.00 50.00 H new ATOM 667 N ASP A 44 -4.532 0.690 -9.014 1.00 10.00 N ATOM 668 CA ASP A 44 -3.906 1.986 -9.248 1.00 10.00 C ATOM 669 C ASP A 44 -2.572 2.091 -8.521 1.00 10.00 C ATOM 670 O ASP A 44 -1.565 2.488 -9.107 1.00 50.00 O ATOM 671 CB ASP A 44 -4.837 3.118 -8.807 1.00 50.00 C ATOM 672 CG ASP A 44 -6.033 3.343 -9.722 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.038 2.803 -10.804 1.00 50.00 O ATOM 674 OD2 ASP A 44 -6.996 3.919 -9.277 1.00 50.00 O ATOM 0 H ASP A 44 -5.493 0.742 -8.676 1.00 10.00 H new ATOM 0 HA ASP A 44 -3.719 2.079 -10.318 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.200 2.903 -7.802 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.262 4.042 -8.747 1.00 50.00 H new ATOM 679 N ILE A 45 -2.571 1.734 -7.242 1.00 10.00 N ATOM 680 CA ILE A 45 -1.356 1.775 -6.436 1.00 10.00 C ATOM 681 C ILE A 45 -0.275 0.876 -7.023 1.00 10.00 C ATOM 682 O ILE A 45 0.881 1.280 -7.146 1.00 50.00 O ATOM 683 CB ILE A 45 -1.629 1.351 -4.981 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.510 2.388 -4.279 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.321 1.163 -4.228 1.00 50.00 C ATOM 686 CD1 ILE A 45 -3.017 1.942 -2.927 1.00 50.00 C ATOM 0 H ILE A 45 -3.399 1.413 -6.740 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.008 2.808 -6.444 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.159 0.399 -4.991 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.943 3.311 -4.158 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.362 2.620 -4.918 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.532 0.863 -3.201 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.272 0.390 -4.717 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.235 2.100 -4.225 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.633 2.729 -2.492 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.613 1.037 -3.042 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.171 1.739 -2.270 1.00 50.00 H new ATOM 698 N LEU A 46 -0.659 -0.342 -7.383 1.00 10.00 N ATOM 699 CA LEU A 46 0.262 -1.279 -8.017 1.00 10.00 C ATOM 700 C LEU A 46 0.866 -0.687 -9.283 1.00 10.00 C ATOM 701 O LEU A 46 2.045 -0.893 -9.575 1.00 50.00 O ATOM 702 CB LEU A 46 -0.457 -2.596 -8.334 1.00 50.00 C ATOM 703 CG LEU A 46 -0.803 -3.461 -7.115 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.721 -4.603 -7.530 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.476 -3.996 -6.489 1.00 50.00 C ATOM 0 H LEU A 46 -1.602 -0.705 -7.247 1.00 10.00 H new ATOM 0 HA LEU A 46 1.075 -1.478 -7.319 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.378 -2.369 -8.871 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.169 -3.180 -9.008 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.326 -2.854 -6.376 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.961 -5.212 -6.658 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.640 -4.196 -7.953 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.220 -5.220 -8.276 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.228 -4.610 -5.623 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.014 -4.600 -7.220 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.104 -3.162 -6.175 1.00 50.00 H new ATOM 717 N LYS A 47 0.053 0.049 -10.032 1.00 10.00 N ATOM 718 CA LYS A 47 0.478 0.599 -11.313 1.00 10.00 C ATOM 719 C LYS A 47 1.400 1.797 -11.119 1.00 10.00 C ATOM 720 O LYS A 47 2.156 2.162 -12.020 1.00 50.00 O ATOM 721 CB LYS A 47 -0.734 0.999 -12.155 1.00 50.00 C ATOM 722 CG LYS A 47 -1.539 -0.174 -12.698 1.00 50.00 C ATOM 723 CD LYS A 47 -2.753 0.302 -13.480 1.00 50.00 C ATOM 724 CE LYS A 47 -3.555 -0.869 -14.026 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.738 -0.418 -14.809 1.00 50.00 N ATOM 0 H LYS A 47 -0.906 0.279 -9.773 1.00 10.00 H new ATOM 0 HA LYS A 47 1.033 -0.177 -11.840 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.390 1.625 -11.550 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.394 1.609 -12.992 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.906 -0.785 -13.342 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -1.862 -0.809 -11.873 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.387 0.910 -12.835 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.430 0.939 -14.303 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -2.914 -1.484 -14.659 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -3.886 -1.499 -13.200 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.257 -1.247 -15.163 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.363 0.147 -14.199 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.422 0.162 -15.613 1.00 50.00 H new ATOM 739 N VAL A 48 1.332 2.404 -9.940 1.00 10.00 N ATOM 740 CA VAL A 48 2.269 3.457 -9.565 1.00 10.00 C ATOM 741 C VAL A 48 3.695 2.928 -9.501 1.00 10.00 C ATOM 742 O VAL A 48 3.995 2.018 -8.728 1.00 50.00 O ATOM 743 CB VAL A 48 1.903 4.083 -8.207 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.983 5.053 -7.758 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.557 4.789 -8.291 1.00 50.00 C ATOM 0 H VAL A 48 0.637 2.185 -9.226 1.00 10.00 H new ATOM 0 HA VAL A 48 2.204 4.224 -10.337 1.00 10.00 H new ATOM 0 HB VAL A 48 1.829 3.284 -7.470 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.707 5.485 -6.796 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.930 4.523 -7.659 1.00 50.00 H new ATOM 0 HG13 VAL A 48 3.088 5.848 -8.496 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.314 5.226 -7.322 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.606 5.577 -9.042 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.214 4.070 -8.569 1.00 50.00 H new ATOM 755 N GLU A 49 4.571 3.502 -10.317 1.00 10.00 N ATOM 756 CA GLU A 49 5.966 3.078 -10.366 1.00 10.00 C ATOM 757 C GLU A 49 6.622 3.186 -8.995 1.00 10.00 C ATOM 758 O GLU A 49 6.619 4.249 -8.377 1.00 50.00 O ATOM 759 CB GLU A 49 6.743 3.910 -11.388 1.00 50.00 C ATOM 760 CG GLU A 49 8.188 3.474 -11.586 1.00 50.00 C ATOM 761 CD GLU A 49 8.871 4.303 -12.637 1.00 50.00 C ATOM 762 OE1 GLU A 49 8.219 5.128 -13.232 1.00 50.00 O ATOM 763 OE2 GLU A 49 10.067 4.194 -12.768 1.00 50.00 O ATOM 0 H GLU A 49 4.340 4.264 -10.955 1.00 10.00 H new ATOM 0 HA GLU A 49 5.987 2.032 -10.672 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.227 3.860 -12.347 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.731 4.954 -11.073 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.728 3.561 -10.643 1.00 50.00 H new ATOM 0 HG3 GLU A 49 8.217 2.423 -11.874 1.00 50.00 H new ATOM 770 N GLY A 50 7.185 2.078 -8.527 1.00 10.00 N ATOM 771 CA GLY A 50 7.905 2.062 -7.258 1.00 10.00 C ATOM 772 C GLY A 50 7.318 1.029 -6.305 1.00 10.00 C ATOM 773 O GLY A 50 8.030 0.455 -5.481 1.00 50.00 O ATOM 0 H GLY A 50 7.157 1.178 -9.007 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.957 1.840 -7.437 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.861 3.050 -6.800 1.00 10.00 H new ATOM 777 N VAL A 51 6.014 0.798 -6.421 1.00 10.00 N ATOM 778 CA VAL A 51 5.325 -0.153 -5.557 1.00 10.00 C ATOM 779 C VAL A 51 5.697 -1.587 -5.910 1.00 10.00 C ATOM 780 O VAL A 51 5.503 -2.028 -7.042 1.00 50.00 O ATOM 781 CB VAL A 51 3.795 0.007 -5.647 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.099 -1.054 -4.809 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.378 1.398 -5.195 1.00 50.00 C ATOM 0 H VAL A 51 5.413 1.257 -7.106 1.00 10.00 H new ATOM 0 HA VAL A 51 5.644 0.061 -4.537 1.00 10.00 H new ATOM 0 HB VAL A 51 3.496 -0.123 -6.687 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.019 -0.926 -4.884 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.374 -2.044 -5.174 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.405 -0.954 -3.768 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.294 1.494 -5.265 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.690 1.554 -4.162 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.850 2.145 -5.833 1.00 50.00 H new ATOM 793 N LYS A 52 6.233 -2.311 -4.933 1.00 10.00 N ATOM 794 CA LYS A 52 6.729 -3.661 -5.164 1.00 10.00 C ATOM 795 C LYS A 52 5.739 -4.706 -4.665 1.00 10.00 C ATOM 796 O LYS A 52 5.389 -5.640 -5.387 1.00 50.00 O ATOM 797 CB LYS A 52 8.086 -3.857 -4.487 1.00 50.00 C ATOM 798 CG LYS A 52 8.699 -5.236 -4.693 1.00 50.00 C ATOM 799 CD LYS A 52 10.050 -5.350 -4.001 1.00 50.00 C ATOM 800 CE LYS A 52 10.695 -6.703 -4.265 1.00 50.00 C ATOM 801 NZ LYS A 52 12.048 -6.803 -3.653 1.00 50.00 N ATOM 0 H LYS A 52 6.335 -1.984 -3.972 1.00 10.00 H new ATOM 0 HA LYS A 52 6.848 -3.791 -6.240 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.779 -3.105 -4.865 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.974 -3.679 -3.418 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.024 -5.998 -4.304 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.817 -5.428 -5.759 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.709 -4.556 -4.352 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.924 -5.208 -2.928 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.058 -7.493 -3.867 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.770 -6.865 -5.340 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.452 -7.739 -3.856 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.664 -6.066 -4.051 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.974 -6.674 -2.624 1.00 50.00 H new ATOM 815 N SER A 53 5.290 -4.542 -3.425 1.00 10.00 N ATOM 816 CA SER A 53 4.436 -5.535 -2.782 1.00 10.00 C ATOM 817 C SER A 53 3.415 -4.872 -1.867 1.00 10.00 C ATOM 818 O SER A 53 3.750 -3.974 -1.094 1.00 50.00 O ATOM 819 CB SER A 53 5.282 -6.524 -2.003 1.00 50.00 C ATOM 820 OG SER A 53 4.498 -7.481 -1.346 1.00 50.00 O ATOM 0 H SER A 53 5.503 -3.731 -2.845 1.00 10.00 H new ATOM 0 HA SER A 53 3.891 -6.070 -3.559 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.972 -7.025 -2.682 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.887 -5.987 -1.272 1.00 50.00 H new ATOM 0 HG SER A 53 5.079 -8.100 -0.857 1.00 50.00 H new ATOM 826 N ILE A 54 2.169 -5.321 -1.958 1.00 10.00 N ATOM 827 CA ILE A 54 1.125 -4.874 -1.042 1.00 10.00 C ATOM 828 C ILE A 54 0.560 -6.041 -0.242 1.00 10.00 C ATOM 829 O ILE A 54 0.053 -7.009 -0.810 1.00 50.00 O ATOM 830 CB ILE A 54 -0.022 -4.173 -1.791 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.505 -2.958 -2.559 1.00 50.00 C ATOM 832 CG2 ILE A 54 -1.117 -3.758 -0.819 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.517 -2.324 -3.475 1.00 50.00 C ATOM 0 H ILE A 54 1.856 -5.995 -2.657 1.00 10.00 H new ATOM 0 HA ILE A 54 1.588 -4.161 -0.360 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.447 -4.875 -2.508 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.852 -2.211 -1.845 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.370 -3.260 -3.149 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.920 -3.264 -1.365 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.510 -4.641 -0.315 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.706 -3.072 -0.079 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.069 -1.470 -3.984 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.847 -3.055 -4.214 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.373 -1.989 -2.889 1.00 50.00 H new ATOM 845 N PHE A 55 0.649 -5.944 1.079 1.00 10.00 N ATOM 846 CA PHE A 55 0.178 -7.006 1.959 1.00 10.00 C ATOM 847 C PHE A 55 -0.992 -6.535 2.815 1.00 10.00 C ATOM 848 O PHE A 55 -0.894 -5.528 3.516 1.00 50.00 O ATOM 849 CB PHE A 55 1.315 -7.505 2.853 1.00 50.00 C ATOM 850 CG PHE A 55 0.919 -8.628 3.768 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.605 -9.879 3.258 1.00 50.00 C ATOM 852 CD2 PHE A 55 0.859 -8.436 5.140 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.240 -10.913 4.099 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.496 -9.469 5.983 1.00 50.00 C ATOM 855 CZ PHE A 55 0.187 -10.709 5.461 1.00 50.00 C ATOM 0 H PHE A 55 1.044 -5.139 1.565 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.167 -7.828 1.332 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.141 -7.836 2.223 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.685 -6.673 3.453 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.646 -10.047 2.192 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.099 -7.468 5.554 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.004 -11.882 3.689 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.454 -9.306 7.050 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.096 -11.518 6.119 1.00 50.00 H new ATOM 865 N HIS A 56 -2.098 -7.268 2.752 1.00 10.00 N ATOM 866 CA HIS A 56 -3.297 -6.913 3.501 1.00 10.00 C ATOM 867 C HIS A 56 -3.642 -7.982 4.529 1.00 10.00 C ATOM 868 O HIS A 56 -3.875 -9.140 4.182 1.00 50.00 O ATOM 869 CB HIS A 56 -4.482 -6.695 2.555 1.00 50.00 C ATOM 870 CG HIS A 56 -5.697 -6.139 3.230 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.958 -6.221 2.677 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.844 -5.495 4.411 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.829 -5.650 3.490 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.179 -5.202 4.548 1.00 50.00 N ATOM 0 H HIS A 56 -2.189 -8.113 2.189 1.00 10.00 H new ATOM 0 HA HIS A 56 -3.091 -5.982 4.030 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.178 -6.017 1.757 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.740 -7.644 2.086 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.059 -5.256 5.114 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.892 -5.564 3.318 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.600 -4.716 5.340 1.00 50.00 H new ATOM 882 N VAL A 57 -3.671 -7.588 5.799 1.00 10.00 N ATOM 883 CA VAL A 57 -4.071 -8.490 6.871 1.00 10.00 C ATOM 884 C VAL A 57 -4.783 -7.737 7.988 1.00 10.00 C ATOM 885 O VAL A 57 -4.392 -6.626 8.349 1.00 50.00 O ATOM 886 CB VAL A 57 -2.860 -9.237 7.462 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.934 -8.267 8.181 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.321 -10.332 8.411 1.00 50.00 C ATOM 0 H VAL A 57 -3.422 -6.649 6.110 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.756 -9.215 6.431 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.308 -9.699 6.643 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.084 -8.812 8.592 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.577 -7.515 7.477 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.477 -7.778 8.990 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.453 -10.849 8.819 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.896 -9.890 9.225 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.946 -11.043 7.870 1.00 50.00 H new ATOM 898 N MET A 58 -5.832 -8.346 8.530 1.00 10.00 N ATOM 899 CA MET A 58 -6.666 -7.691 9.531 1.00 10.00 C ATOM 900 C MET A 58 -7.254 -6.393 8.995 1.00 10.00 C ATOM 901 O MET A 58 -7.942 -6.387 7.974 1.00 50.00 O ATOM 902 CB MET A 58 -5.855 -7.421 10.798 1.00 50.00 C ATOM 903 CG MET A 58 -5.348 -8.673 11.500 1.00 50.00 C ATOM 904 SD MET A 58 -6.684 -9.759 12.035 1.00 75.00 S ATOM 905 CE MET A 58 -7.422 -8.773 13.334 1.00 75.00 C ATOM 0 H MET A 58 -6.125 -9.294 8.292 1.00 10.00 H new ATOM 0 HA MET A 58 -7.492 -8.360 9.773 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.002 -6.793 10.542 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.471 -6.853 11.495 1.00 50.00 H new ATOM 0 HG2 MET A 58 -4.688 -9.220 10.827 1.00 50.00 H new ATOM 0 HG3 MET A 58 -4.752 -8.383 12.365 1.00 50.00 H new ATOM 0 HE1 MET A 58 -8.079 -9.399 13.937 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.637 -8.357 13.966 1.00 75.00 H new ATOM 0 HE3 MET A 58 -8.000 -7.961 12.891 1.00 75.00 H new ATOM 915 N ASP A 59 -6.978 -5.294 9.688 1.00 10.00 N ATOM 916 CA ASP A 59 -7.485 -3.987 9.286 1.00 10.00 C ATOM 917 C ASP A 59 -6.348 -2.999 9.060 1.00 10.00 C ATOM 918 O ASP A 59 -6.447 -1.828 9.426 1.00 50.00 O ATOM 919 CB ASP A 59 -8.454 -3.441 10.338 1.00 50.00 C ATOM 920 CG ASP A 59 -9.176 -2.165 9.928 1.00 50.00 C ATOM 921 OD1 ASP A 59 -9.548 -2.059 8.783 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.489 -1.379 10.789 1.00 50.00 O ATOM 0 H ASP A 59 -6.405 -5.282 10.532 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.018 -4.113 8.344 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.196 -4.207 10.563 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -7.902 -3.252 11.259 1.00 50.00 H new ATOM 927 N PHE A 60 -5.267 -3.479 8.454 1.00 10.00 N ATOM 928 CA PHE A 60 -4.155 -2.615 8.075 1.00 10.00 C ATOM 929 C PHE A 60 -3.415 -3.169 6.865 1.00 10.00 C ATOM 930 O PHE A 60 -3.457 -4.370 6.596 1.00 50.00 O ATOM 931 CB PHE A 60 -3.189 -2.442 9.249 1.00 50.00 C ATOM 932 CG PHE A 60 -2.485 -3.708 9.645 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.053 -4.575 10.567 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.253 -4.034 9.099 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.405 -5.740 10.934 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.603 -5.198 9.464 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.179 -6.050 10.381 1.00 50.00 C ATOM 0 H PHE A 60 -5.137 -4.462 8.215 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.565 -1.641 7.807 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.445 -1.690 8.987 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.740 -2.060 10.108 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -4.012 -4.337 11.003 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.796 -3.371 8.380 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.858 -6.407 11.653 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.356 -5.440 9.030 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.672 -6.960 10.667 1.00 50.00 H new ATOM 947 N ILE A 61 -2.737 -2.289 6.137 1.00 10.00 N ATOM 948 CA ILE A 61 -2.036 -2.678 4.920 1.00 10.00 C ATOM 949 C ILE A 61 -0.573 -2.258 4.968 1.00 10.00 C ATOM 950 O ILE A 61 -0.254 -1.120 5.311 1.00 50.00 O ATOM 951 CB ILE A 61 -2.694 -2.066 3.669 1.00 50.00 C ATOM 952 CG1 ILE A 61 -4.118 -2.604 3.499 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.859 -2.360 2.432 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.884 -1.955 2.369 1.00 50.00 C ATOM 0 H ILE A 61 -2.658 -1.299 6.370 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.097 -3.764 4.857 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.747 -0.985 3.798 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.072 -3.679 3.324 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.666 -2.456 4.429 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.338 -1.921 1.557 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.864 -1.932 2.554 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.776 -3.438 2.297 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.883 -2.388 2.311 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.963 -0.883 2.551 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.360 -2.126 1.429 1.00 50.00 H new ATOM 966 N SER A 62 0.315 -3.185 4.623 1.00 10.00 N ATOM 967 CA SER A 62 1.740 -2.889 4.545 1.00 10.00 C ATOM 968 C SER A 62 2.200 -2.771 3.097 1.00 10.00 C ATOM 969 O SER A 62 2.035 -3.699 2.305 1.00 50.00 O ATOM 970 CB SER A 62 2.536 -3.960 5.265 1.00 50.00 C ATOM 971 OG SER A 62 3.917 -3.756 5.148 1.00 50.00 O ATOM 0 H SER A 62 0.072 -4.148 4.393 1.00 10.00 H new ATOM 0 HA SER A 62 1.914 -1.929 5.032 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.259 -3.970 6.319 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.278 -4.938 4.858 1.00 50.00 H new ATOM 0 HG SER A 62 4.394 -4.466 5.626 1.00 50.00 H new ATOM 977 N VAL A 63 2.775 -1.623 2.757 1.00 10.00 N ATOM 978 CA VAL A 63 3.208 -1.359 1.389 1.00 10.00 C ATOM 979 C VAL A 63 4.725 -1.268 1.300 1.00 10.00 C ATOM 980 O VAL A 63 5.345 -0.420 1.942 1.00 50.00 O ATOM 981 CB VAL A 63 2.591 -0.057 0.844 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.092 0.218 -0.566 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.074 -0.136 0.862 1.00 50.00 C ATOM 0 H VAL A 63 2.952 -0.860 3.410 1.00 10.00 H new ATOM 0 HA VAL A 63 2.862 -2.196 0.782 1.00 10.00 H new ATOM 0 HB VAL A 63 2.900 0.766 1.489 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.647 1.141 -0.937 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.177 0.318 -0.553 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.811 -0.608 -1.219 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.657 0.793 0.473 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.746 -0.969 0.241 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.730 -0.288 1.885 1.00 50.00 H new ATOM 993 N ASP A 64 5.319 -2.146 0.499 1.00 10.00 N ATOM 994 CA ASP A 64 6.764 -2.151 0.306 1.00 10.00 C ATOM 995 C ASP A 64 7.132 -1.713 -1.106 1.00 10.00 C ATOM 996 O ASP A 64 6.579 -2.212 -2.085 1.00 50.00 O ATOM 997 CB ASP A 64 7.339 -3.541 0.590 1.00 50.00 C ATOM 998 CG ASP A 64 8.858 -3.621 0.519 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.469 -2.634 0.186 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.401 -4.611 0.947 1.00 50.00 O ATOM 0 H ASP A 64 4.821 -2.864 -0.027 1.00 10.00 H new ATOM 0 HA ASP A 64 7.196 -1.439 1.009 1.00 10.00 H new ATOM 0 HB2 ASP A 64 7.017 -3.858 1.582 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.916 -4.248 -0.124 1.00 50.00 H new ATOM 1005 N LYS A 65 8.069 -0.776 -1.203 1.00 10.00 N ATOM 1006 CA LYS A 65 8.487 -0.243 -2.494 1.00 10.00 C ATOM 1007 C LYS A 65 9.788 -0.883 -2.959 1.00 10.00 C ATOM 1008 O LYS A 65 10.351 -1.736 -2.274 1.00 50.00 O ATOM 1009 CB LYS A 65 8.647 1.276 -2.418 1.00 50.00 C ATOM 1010 CG LYS A 65 9.817 1.745 -1.563 1.00 50.00 C ATOM 1011 CD LYS A 65 10.039 3.243 -1.702 1.00 50.00 C ATOM 1012 CE LYS A 65 11.148 3.726 -0.779 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.490 3.275 -1.239 1.00 50.00 N ATOM 0 H LYS A 65 8.553 -0.370 -0.402 1.00 10.00 H new ATOM 0 HA LYS A 65 7.711 -0.482 -3.221 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.772 1.667 -3.428 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.728 1.706 -2.021 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.628 1.499 -0.518 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.721 1.213 -1.857 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.293 3.481 -2.735 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.115 3.773 -1.471 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.129 4.815 -0.728 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.967 3.356 0.230 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.219 3.639 -0.593 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.523 2.236 -1.248 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.667 3.635 -2.199 1.00 50.00 H new ATOM 1027 N GLU A 66 10.261 -0.467 -4.129 1.00 10.00 N ATOM 1028 CA GLU A 66 11.559 -0.905 -4.629 1.00 10.00 C ATOM 1029 C GLU A 66 12.681 -0.022 -4.099 1.00 10.00 C ATOM 1030 O GLU A 66 12.442 1.100 -3.655 1.00 50.00 O ATOM 1031 CB GLU A 66 11.570 -0.905 -6.160 1.00 50.00 C ATOM 1032 CG GLU A 66 10.607 -1.899 -6.795 1.00 50.00 C ATOM 1033 CD GLU A 66 10.725 -1.891 -8.294 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.449 -1.075 -8.810 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.180 -2.772 -8.917 1.00 50.00 O ATOM 0 H GLU A 66 9.765 0.173 -4.749 1.00 10.00 H new ATOM 0 HA GLU A 66 11.728 -1.921 -4.272 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.325 0.097 -6.513 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.580 -1.126 -6.504 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.813 -2.900 -6.417 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.585 -1.653 -6.507 1.00 50.00 H new ATOM 1042 N ASN A 67 13.905 -0.536 -4.147 1.00 10.00 N ATOM 1043 CA ASN A 67 15.057 0.176 -3.609 1.00 10.00 C ATOM 1044 C ASN A 67 15.325 1.458 -4.388 1.00 10.00 C ATOM 1045 O ASN A 67 15.671 2.487 -3.807 1.00 50.00 O ATOM 1046 CB ASN A 67 16.297 -0.699 -3.598 1.00 50.00 C ATOM 1047 CG ASN A 67 16.268 -1.776 -2.548 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.524 -1.691 -1.564 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.131 -2.745 -2.711 1.00 50.00 N ATOM 0 H ASN A 67 14.125 -1.445 -4.554 1.00 10.00 H new ATOM 0 HA ASN A 67 14.818 0.440 -2.579 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.413 -1.162 -4.578 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.173 -0.071 -3.437 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.214 -3.478 -2.007 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.721 -2.768 -3.542 1.00 50.00 H new ATOM 1056 N ASP A 68 15.161 1.389 -5.704 1.00 10.00 N ATOM 1057 CA ASP A 68 15.455 2.523 -6.572 1.00 10.00 C ATOM 1058 C ASP A 68 14.438 3.641 -6.380 1.00 10.00 C ATOM 1059 O ASP A 68 14.795 4.819 -6.339 1.00 50.00 O ATOM 1060 CB ASP A 68 15.481 2.084 -8.038 1.00 50.00 C ATOM 1061 CG ASP A 68 16.699 1.256 -8.425 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.632 1.214 -7.659 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.626 0.550 -9.402 1.00 50.00 O ATOM 0 H ASP A 68 14.826 0.559 -6.194 1.00 10.00 H new ATOM 0 HA ASP A 68 16.439 2.905 -6.299 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.582 1.505 -8.247 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.443 2.971 -8.671 1.00 50.00 H new ATOM 1068 N ALA A 69 13.169 3.266 -6.262 1.00 10.00 N ATOM 1069 CA ALA A 69 12.093 4.239 -6.114 1.00 10.00 C ATOM 1070 C ALA A 69 12.139 4.909 -4.748 1.00 10.00 C ATOM 1071 O ALA A 69 12.831 4.446 -3.842 1.00 50.00 O ATOM 1072 CB ALA A 69 10.743 3.573 -6.337 1.00 50.00 C ATOM 0 H ALA A 69 12.860 2.294 -6.266 1.00 10.00 H new ATOM 0 HA ALA A 69 12.231 5.012 -6.870 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.950 4.312 -6.223 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.706 3.153 -7.342 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.605 2.777 -5.606 1.00 50.00 H new ATOM 1078 N ASN A 70 11.397 6.002 -4.605 1.00 10.00 N ATOM 1079 CA ASN A 70 11.314 6.711 -3.334 1.00 10.00 C ATOM 1080 C ASN A 70 9.866 6.877 -2.890 1.00 10.00 C ATOM 1081 O ASN A 70 8.943 6.786 -3.701 1.00 50.00 O ATOM 1082 CB ASN A 70 11.999 8.064 -3.406 1.00 50.00 C ATOM 1083 CG ASN A 70 13.471 7.981 -3.700 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.266 7.523 -2.870 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.848 8.495 -4.842 1.00 50.00 N ATOM 0 H ASN A 70 10.844 6.416 -5.355 1.00 10.00 H new ATOM 0 HA ASN A 70 11.836 6.105 -2.593 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.517 8.665 -4.177 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.855 8.585 -2.459 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.839 8.531 -5.083 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.151 8.859 -5.492 1.00 50.00 H new ATOM 1092 N TRP A 71 9.673 7.123 -1.598 1.00 10.00 N ATOM 1093 CA TRP A 71 8.341 7.370 -1.057 1.00 10.00 C ATOM 1094 C TRP A 71 7.823 8.741 -1.472 1.00 10.00 C ATOM 1095 O TRP A 71 6.619 8.993 -1.448 1.00 50.00 O ATOM 1096 CB TRP A 71 8.358 7.256 0.468 1.00 50.00 C ATOM 1097 CG TRP A 71 8.454 5.844 0.961 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.437 5.320 1.747 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.534 4.777 0.704 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.188 3.992 1.994 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.022 3.636 1.364 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.341 4.677 -0.023 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.368 2.415 1.320 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.685 3.453 -0.065 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.183 2.354 0.588 1.00 50.00 C ATOM 0 H TRP A 71 10.422 7.157 -0.906 1.00 10.00 H new ATOM 0 HA TRP A 71 7.669 6.615 -1.464 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.201 7.827 0.858 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.452 7.712 0.869 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.288 5.869 2.121 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.774 3.372 2.554 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.939 5.535 -0.541 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.760 1.548 1.831 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.764 3.365 -0.623 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.644 1.419 0.534 1.00 50.00 H new ATOM 1116 N GLU A 72 8.740 9.624 -1.852 1.00 10.00 N ATOM 1117 CA GLU A 72 8.379 10.977 -2.259 1.00 10.00 C ATOM 1118 C GLU A 72 7.308 10.958 -3.343 1.00 10.00 C ATOM 1119 O GLU A 72 6.386 11.775 -3.332 1.00 50.00 O ATOM 1120 CB GLU A 72 9.612 11.736 -2.753 1.00 50.00 C ATOM 1121 CG GLU A 72 9.343 13.178 -3.159 1.00 50.00 C ATOM 1122 CD GLU A 72 10.608 13.873 -3.576 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.646 13.260 -3.521 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.524 14.980 -4.057 1.00 75.00 O ATOM 0 H GLU A 72 9.740 9.427 -1.887 1.00 10.00 H new ATOM 0 HA GLU A 72 7.974 11.490 -1.387 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.367 11.728 -1.967 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.033 11.204 -3.606 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.626 13.199 -3.980 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.889 13.714 -2.326 1.00 50.00 H new ATOM 1131 N THR A 73 7.435 10.023 -4.278 1.00 10.00 N ATOM 1132 CA THR A 73 6.452 9.864 -5.342 1.00 10.00 C ATOM 1133 C THR A 73 5.296 8.976 -4.897 1.00 10.00 C ATOM 1134 O THR A 73 4.129 9.341 -5.039 1.00 50.00 O ATOM 1135 CB THR A 73 7.085 9.268 -6.613 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.107 10.147 -7.098 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.032 9.076 -7.693 1.00 50.00 C ATOM 0 H THR A 73 8.211 9.362 -4.320 1.00 10.00 H new ATOM 0 HA THR A 73 6.073 10.860 -5.570 1.00 10.00 H new ATOM 0 HB THR A 73 7.518 8.299 -6.365 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.510 9.766 -7.906 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.497 8.654 -8.584 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.259 8.398 -7.331 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.584 10.039 -7.939 1.00 50.00 H new ATOM 1145 N VAL A 74 5.629 7.807 -4.359 1.00 10.00 N ATOM 1146 CA VAL A 74 4.643 6.755 -4.145 1.00 10.00 C ATOM 1147 C VAL A 74 3.666 7.132 -3.039 1.00 10.00 C ATOM 1148 O VAL A 74 2.451 7.038 -3.211 1.00 50.00 O ATOM 1149 CB VAL A 74 5.315 5.415 -3.787 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.269 4.386 -3.385 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.141 4.905 -4.958 1.00 50.00 C ATOM 0 H VAL A 74 6.575 7.565 -4.063 1.00 10.00 H new ATOM 0 HA VAL A 74 4.099 6.640 -5.082 1.00 10.00 H new ATOM 0 HB VAL A 74 5.981 5.578 -2.940 1.00 50.00 H new ATOM 0 HG11 VAL A 74 4.761 3.446 -3.135 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.717 4.748 -2.518 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.579 4.226 -4.213 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.609 3.958 -4.688 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.494 4.757 -5.823 1.00 50.00 H new ATOM 0 HG23 VAL A 74 6.913 5.634 -5.203 1.00 50.00 H new ATOM 1161 N LEU A 75 4.205 7.561 -1.902 1.00 10.00 N ATOM 1162 CA LEU A 75 3.448 7.579 -0.655 1.00 10.00 C ATOM 1163 C LEU A 75 2.269 8.538 -0.740 1.00 50.00 C ATOM 1164 O LEU A 75 1.152 8.198 -0.353 1.00 50.00 O ATOM 1165 CB LEU A 75 4.363 7.962 0.513 1.00 50.00 C ATOM 1166 CG LEU A 75 3.686 7.998 1.889 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.180 6.609 2.258 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.672 8.505 2.930 1.00 50.00 C ATOM 0 H LEU A 75 5.163 7.901 -1.818 1.00 10.00 H new ATOM 0 HA LEU A 75 3.054 6.577 -0.484 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.191 7.254 0.552 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.792 8.944 0.311 1.00 50.00 H new ATOM 0 HG LEU A 75 2.833 8.676 1.856 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.701 6.644 3.236 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.458 6.275 1.513 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.018 5.913 2.289 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.189 8.530 3.907 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.535 7.840 2.968 1.00 50.00 H new ATOM 0 HD23 LEU A 75 5.000 9.509 2.662 1.00 50.00 H new ATOM 1180 N PRO A 76 2.523 9.738 -1.251 1.00 50.00 N ATOM 1181 CA PRO A 76 1.475 10.736 -1.424 1.00 50.00 C ATOM 1182 C PRO A 76 0.266 10.146 -2.138 1.00 50.00 C ATOM 1183 O PRO A 76 -0.877 10.395 -1.754 1.00 50.00 O ATOM 1184 CB PRO A 76 2.144 11.844 -2.242 1.00 50.00 C ATOM 1185 CG PRO A 76 3.581 11.776 -1.856 1.00 50.00 C ATOM 1186 CD PRO A 76 3.879 10.309 -1.691 1.00 50.00 C ATOM 0 HA PRO A 76 1.087 11.109 -0.476 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.012 11.682 -3.312 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.717 12.820 -2.012 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.215 12.223 -2.622 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.766 12.321 -0.931 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.226 9.859 -2.621 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.654 10.134 -0.944 1.00 50.00 H new ATOM 1194 N LYS A 77 0.524 9.363 -3.179 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.543 8.764 -3.971 1.00 50.00 C ATOM 1196 C LYS A 77 -1.279 7.690 -3.180 1.00 50.00 C ATOM 1197 O LYS A 77 -2.510 7.663 -3.148 1.00 50.00 O ATOM 1198 CB LYS A 77 0.017 8.172 -5.266 1.00 50.00 C ATOM 1199 CG LYS A 77 0.535 9.205 -6.257 1.00 50.00 C ATOM 1200 CD LYS A 77 1.104 8.540 -7.501 1.00 50.00 C ATOM 1201 CE LYS A 77 1.656 9.569 -8.476 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.193 8.935 -9.711 1.00 50.00 N ATOM 0 H LYS A 77 1.465 9.128 -3.495 1.00 50.00 H new ATOM 0 HA LYS A 77 -1.254 9.551 -4.221 1.00 50.00 H new ATOM 0 HB2 LYS A 77 0.827 7.487 -5.017 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.762 7.582 -5.749 1.00 50.00 H new ATOM 0 HG2 LYS A 77 -0.274 9.879 -6.540 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.305 9.813 -5.783 1.00 50.00 H new ATOM 0 HD2 LYS A 77 1.895 7.846 -7.215 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.326 7.953 -7.990 1.00 50.00 H new ATOM 0 HE2 LYS A 77 0.869 10.274 -8.743 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.446 10.142 -7.990 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 2.559 9.671 -10.348 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 2.962 8.281 -9.460 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 1.434 8.409 -10.190 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.520 6.807 -2.542 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.099 5.710 -1.776 1.00 50.00 C ATOM 1218 C VAL A 78 -2.047 6.228 -0.702 1.00 50.00 C ATOM 1219 O VAL A 78 -3.178 5.756 -0.579 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.009 4.848 -1.111 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.635 3.835 -0.164 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.828 4.140 -2.166 1.00 50.00 C ATOM 0 H VAL A 78 0.500 6.829 -2.540 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.656 5.094 -2.482 1.00 50.00 H new ATOM 0 HB VAL A 78 0.644 5.504 -0.534 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.149 3.235 0.297 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.194 4.359 0.611 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.310 3.185 -0.721 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.593 3.536 -1.678 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.186 3.497 -2.768 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.305 4.880 -2.809 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.580 7.200 0.073 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.402 7.819 1.106 1.00 50.00 C ATOM 1234 C GLU A 79 -3.707 8.349 0.527 1.00 50.00 C ATOM 1235 O GLU A 79 -4.780 8.143 1.096 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.635 8.948 1.796 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.400 9.630 2.923 1.00 50.00 C ATOM 1238 CD GLU A 79 -1.575 10.708 3.569 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.450 10.889 3.168 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.104 11.424 4.385 1.00 50.00 O ATOM 0 H GLU A 79 -0.635 7.577 0.005 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.643 7.053 1.844 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.704 8.547 2.196 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.366 9.697 1.051 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.322 10.060 2.531 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -2.686 8.890 3.671 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.611 9.035 -0.607 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.786 9.582 -1.273 1.00 50.00 C ATOM 1249 C ALA A 80 -5.786 8.485 -1.615 1.00 50.00 C ATOM 1250 O ALA A 80 -6.996 8.674 -1.487 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.377 10.341 -2.528 1.00 50.00 C ATOM 0 H ALA A 80 -2.730 9.225 -1.084 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.272 10.275 -0.586 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.265 10.744 -3.015 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.709 11.159 -2.257 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.864 9.664 -3.211 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.275 7.339 -2.049 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.124 6.246 -2.508 1.00 50.00 C ATOM 1259 C VAL A 81 -7.070 5.784 -1.407 1.00 50.00 C ATOM 1260 O VAL A 81 -8.248 5.528 -1.655 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.289 5.046 -2.990 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.175 3.824 -3.185 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.564 5.387 -4.284 1.00 50.00 C ATOM 0 H VAL A 81 -4.275 7.142 -2.093 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.706 6.631 -3.345 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.545 4.816 -2.227 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.568 2.985 -3.526 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.652 3.566 -2.240 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.940 4.044 -3.929 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.979 4.527 -4.610 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -5.293 5.643 -5.053 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.901 6.235 -4.117 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.548 5.681 -0.190 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.335 5.210 0.943 1.00 50.00 C ATOM 1275 C PHE A 82 -8.123 6.350 1.576 1.00 50.00 C ATOM 1276 O PHE A 82 -8.647 6.216 2.683 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.429 4.554 1.986 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.729 3.321 1.490 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.439 2.157 1.236 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.358 3.322 1.277 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.797 1.022 0.781 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.714 2.188 0.821 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.432 1.038 0.573 1.00 50.00 C ATOM 0 H PHE A 82 -5.582 5.918 0.037 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.044 4.469 0.574 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.682 5.278 2.312 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.026 4.295 2.861 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.507 2.138 1.396 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.788 4.219 1.470 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.362 0.122 0.588 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.646 2.203 0.659 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.928 0.152 0.217 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.205 7.471 0.869 1.00 50.00 N ATOM 1294 CA GLU A 83 -9.170 8.515 1.195 1.00 50.00 C ATOM 1295 C GLU A 83 -10.324 8.528 0.203 1.00 50.00 C ATOM 1296 O GLU A 83 -11.242 9.342 0.313 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.487 9.884 1.226 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.448 10.045 2.327 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.856 11.426 2.322 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -7.256 12.221 1.505 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -6.086 11.724 3.204 1.00 75.00 O ATOM 0 H GLU A 83 -7.614 7.681 0.065 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.574 8.298 2.184 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -8.008 10.059 0.263 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -9.249 10.654 1.347 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.908 9.848 3.295 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.657 9.307 2.194 1.00 50.00 H new