USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 71 THR OG1 : rot 132:sc= 0.723 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.513 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 12 HIS : no HE2:sc= -2.02 K(o=-2,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 1.16 (180deg=0.99) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.17) USER MOD Single : A 32 GLN : amide:sc= -1.43! K(o=-1.4!,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.635 K(o=0.64,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot -116:sc= 0.579 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.09) USER MOD Single : A 60 TYR OH : rot 1:sc= 0.712 USER MOD Single : A 61 SER OG : rot -56:sc= 1.26 USER MOD Single : A 65 SER OG : rot 69:sc= 1.38 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.0667 (180deg=-0.198) USER MOD Single : A 72 TYR OH : rot 85:sc= 1.26 USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.812) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.513 0.357 -7.463 1.00 0.00 N ATOM 29 CA LEU A 3 8.118 -0.026 -7.569 1.00 0.00 C ATOM 30 C LEU A 3 7.384 1.288 -7.334 1.00 0.00 C ATOM 31 O LEU A 3 7.481 1.867 -6.248 1.00 0.00 O ATOM 32 CB LEU A 3 7.779 -1.144 -6.561 1.00 0.00 C ATOM 33 CG LEU A 3 8.471 -2.472 -6.971 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.726 -3.408 -5.793 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.672 -3.218 -8.046 1.00 0.00 C ATOM 0 HA LEU A 3 7.835 -0.463 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.102 -0.852 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.699 -1.288 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 3 9.439 -2.176 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.211 -4.317 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.371 -2.912 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.778 -3.664 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.188 -4.142 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.678 -3.452 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.581 -2.591 -8.933 1.00 0.00 H new ATOM 47 N VAL A 4 6.811 1.825 -8.407 1.00 0.00 N ATOM 48 CA VAL A 4 6.087 3.090 -8.491 1.00 0.00 C ATOM 49 C VAL A 4 4.841 2.823 -9.355 1.00 0.00 C ATOM 50 O VAL A 4 4.624 3.416 -10.414 1.00 0.00 O ATOM 51 CB VAL A 4 7.024 4.203 -9.018 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.255 5.498 -9.336 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.147 4.496 -8.003 1.00 0.00 C ATOM 0 H VAL A 4 6.843 1.351 -9.310 1.00 0.00 H new ATOM 0 HA VAL A 4 5.752 3.458 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 4 7.465 3.838 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.950 6.253 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.502 5.296 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.767 5.863 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.794 5.281 -8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.709 4.822 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.733 3.592 -7.838 1.00 0.00 H new ATOM 63 N LEU A 5 4.032 1.864 -8.921 1.00 0.00 N ATOM 64 CA LEU A 5 2.776 1.469 -9.521 1.00 0.00 C ATOM 65 C LEU A 5 2.147 0.403 -8.635 1.00 0.00 C ATOM 66 O LEU A 5 2.504 -0.766 -8.729 1.00 0.00 O ATOM 67 CB LEU A 5 2.932 0.982 -10.974 1.00 0.00 C ATOM 68 CG LEU A 5 4.131 0.054 -11.296 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.666 -1.270 -11.889 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.053 0.693 -12.343 1.00 0.00 C ATOM 0 H LEU A 5 4.254 1.313 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 5 2.124 2.340 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.018 0.458 -11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.005 1.860 -11.616 1.00 0.00 H new ATOM 0 HG LEU A 5 4.653 -0.106 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.532 -1.897 -12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.016 -1.779 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.117 -1.083 -12.812 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.886 0.022 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.493 0.872 -13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.436 1.640 -11.961 1.00 0.00 H new ATOM 82 N VAL A 6 1.175 0.779 -7.806 1.00 0.00 N ATOM 83 CA VAL A 6 0.455 -0.128 -6.913 1.00 0.00 C ATOM 84 C VAL A 6 -1.033 -0.109 -7.266 1.00 0.00 C ATOM 85 O VAL A 6 -1.917 -0.037 -6.417 1.00 0.00 O ATOM 86 CB VAL A 6 0.830 0.171 -5.445 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.633 1.642 -5.041 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.137 -0.750 -4.439 1.00 0.00 C ATOM 0 H VAL A 6 0.858 1.746 -7.735 1.00 0.00 H new ATOM 0 HA VAL A 6 0.754 -1.167 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 6 1.899 -0.038 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.917 1.774 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.256 2.279 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.414 1.918 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.446 -0.483 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.944 -0.639 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.414 -1.785 -4.642 1.00 0.00 H new ATOM 98 N LYS A 7 -1.348 -0.177 -8.557 1.00 0.00 N ATOM 99 CA LYS A 7 -2.737 -0.205 -8.991 1.00 0.00 C ATOM 100 C LYS A 7 -3.038 -1.470 -9.776 1.00 0.00 C ATOM 101 O LYS A 7 -3.950 -1.468 -10.602 1.00 0.00 O ATOM 102 CB LYS A 7 -2.993 1.048 -9.847 1.00 0.00 C ATOM 103 CG LYS A 7 -2.050 1.189 -11.053 1.00 0.00 C ATOM 104 CD LYS A 7 -2.798 1.781 -12.247 1.00 0.00 C ATOM 105 CE LYS A 7 -1.800 2.112 -13.348 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.478 2.702 -14.521 1.00 0.00 N ATOM 0 H LYS A 7 -0.665 -0.213 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.397 -0.206 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.022 1.026 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.894 1.932 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.207 1.828 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.641 0.214 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.541 1.073 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.336 2.680 -11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.052 2.808 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.270 1.207 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.775 2.918 -15.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.174 2.026 -14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.963 3.577 -14.238 1.00 0.00 H new ATOM 120 N TYR A 8 -2.444 -2.599 -9.402 1.00 0.00 N ATOM 121 CA TYR A 8 -2.678 -3.862 -10.091 1.00 0.00 C ATOM 122 C TYR A 8 -2.614 -5.010 -9.087 1.00 0.00 C ATOM 123 O TYR A 8 -2.143 -6.103 -9.385 1.00 0.00 O ATOM 124 CB TYR A 8 -1.656 -4.004 -11.232 1.00 0.00 C ATOM 125 CG TYR A 8 -2.256 -4.520 -12.517 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.372 -5.903 -12.739 1.00 0.00 C ATOM 127 CD2 TYR A 8 -2.727 -3.603 -13.476 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.968 -6.370 -13.921 1.00 0.00 C ATOM 129 CE2 TYR A 8 -3.325 -4.069 -14.656 1.00 0.00 C ATOM 130 CZ TYR A 8 -3.452 -5.456 -14.885 1.00 0.00 C ATOM 131 OH TYR A 8 -4.037 -5.900 -16.028 1.00 0.00 O ATOM 0 H TYR A 8 -1.793 -2.664 -8.620 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.672 -3.887 -10.537 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.195 -3.034 -11.419 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.861 -4.679 -10.915 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.004 -6.603 -12.004 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.628 -2.542 -13.303 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.057 -7.432 -14.095 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.689 -3.366 -15.390 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.311 -5.134 -16.574 1.00 0.00 H new ATOM 141 N GLY A 9 -3.142 -4.764 -7.889 1.00 0.00 N ATOM 142 CA GLY A 9 -3.066 -5.689 -6.784 1.00 0.00 C ATOM 143 C GLY A 9 -1.617 -5.919 -6.443 1.00 0.00 C ATOM 144 O GLY A 9 -0.946 -5.069 -5.852 1.00 0.00 O ATOM 0 H GLY A 9 -3.639 -3.902 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.598 -5.290 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.546 -6.632 -7.047 1.00 0.00 H new ATOM 148 N THR A 10 -1.155 -7.091 -6.819 1.00 0.00 N ATOM 149 CA THR A 10 -0.003 -7.703 -6.194 1.00 0.00 C ATOM 150 C THR A 10 1.287 -7.209 -6.829 1.00 0.00 C ATOM 151 O THR A 10 1.982 -7.991 -7.457 1.00 0.00 O ATOM 152 CB THR A 10 -0.115 -9.229 -6.245 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.534 -9.696 -7.519 1.00 0.00 O ATOM 154 CG2 THR A 10 -1.099 -9.718 -5.174 1.00 0.00 C ATOM 0 H THR A 10 -1.568 -7.647 -7.568 1.00 0.00 H new ATOM 0 HA THR A 10 0.022 -7.408 -5.145 1.00 0.00 H new ATOM 0 HB THR A 10 0.880 -9.631 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.590 -10.674 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.173 -10.805 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.743 -9.417 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.081 -9.280 -5.355 1.00 0.00 H new ATOM 162 N ASP A 11 1.630 -5.924 -6.706 1.00 0.00 N ATOM 163 CA ASP A 11 2.637 -5.391 -7.618 1.00 0.00 C ATOM 164 C ASP A 11 3.568 -4.359 -6.960 1.00 0.00 C ATOM 165 O ASP A 11 3.989 -3.405 -7.600 1.00 0.00 O ATOM 166 CB ASP A 11 1.828 -4.796 -8.784 1.00 0.00 C ATOM 167 CG ASP A 11 2.549 -4.704 -10.127 1.00 0.00 C ATOM 168 OD1 ASP A 11 3.579 -5.380 -10.349 1.00 0.00 O ATOM 169 OD2 ASP A 11 1.964 -4.035 -11.011 1.00 0.00 O ATOM 0 H ASP A 11 1.249 -5.268 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 11 3.323 -6.170 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.928 -5.397 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.503 -3.795 -8.500 1.00 0.00 H new ATOM 174 N HIS A 12 3.929 -4.571 -5.684 1.00 0.00 N ATOM 175 CA HIS A 12 4.790 -3.711 -4.856 1.00 0.00 C ATOM 176 C HIS A 12 4.999 -4.377 -3.481 1.00 0.00 C ATOM 177 O HIS A 12 4.334 -5.380 -3.211 1.00 0.00 O ATOM 178 CB HIS A 12 4.155 -2.300 -4.728 1.00 0.00 C ATOM 179 CG HIS A 12 3.182 -2.151 -3.585 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.338 -3.125 -3.100 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.054 -1.056 -2.776 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.731 -2.632 -2.014 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.128 -1.377 -1.781 1.00 0.00 N ATOM 0 H HIS A 12 3.609 -5.394 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 12 5.767 -3.589 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.952 -1.567 -4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.641 -2.061 -5.659 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.200 -4.054 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.574 -0.116 -2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.019 -3.173 -1.409 1.00 0.00 H new ATOM 191 N PRO A 13 5.901 -3.901 -2.600 1.00 0.00 N ATOM 192 CA PRO A 13 6.068 -4.507 -1.281 1.00 0.00 C ATOM 193 C PRO A 13 4.903 -4.164 -0.382 1.00 0.00 C ATOM 194 O PRO A 13 4.196 -3.223 -0.653 1.00 0.00 O ATOM 195 CB PRO A 13 7.334 -3.873 -0.721 1.00 0.00 C ATOM 196 CG PRO A 13 7.349 -2.483 -1.338 1.00 0.00 C ATOM 197 CD PRO A 13 6.736 -2.709 -2.716 1.00 0.00 C ATOM 0 HA PRO A 13 6.123 -5.594 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.310 -3.827 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.222 -4.442 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.767 -1.774 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.361 -2.084 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.144 -1.847 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.512 -2.849 -3.469 1.00 0.00 H new ATOM 205 N VAL A 14 4.761 -4.904 0.712 1.00 0.00 N ATOM 206 CA VAL A 14 3.882 -4.750 1.856 1.00 0.00 C ATOM 207 C VAL A 14 3.942 -6.119 2.511 1.00 0.00 C ATOM 208 O VAL A 14 4.372 -6.231 3.647 1.00 0.00 O ATOM 209 CB VAL A 14 2.480 -4.220 1.449 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.309 -4.763 2.265 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.443 -2.688 1.544 1.00 0.00 C ATOM 0 H VAL A 14 5.340 -5.736 0.827 1.00 0.00 H new ATOM 0 HA VAL A 14 4.179 -3.982 2.570 1.00 0.00 H new ATOM 0 HB VAL A 14 2.347 -4.578 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.378 -4.329 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.268 -5.848 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.444 -4.500 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.455 -2.329 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.656 -2.382 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.192 -2.264 0.875 1.00 0.00 H new ATOM 221 N GLU A 15 3.694 -7.177 1.742 1.00 0.00 N ATOM 222 CA GLU A 15 3.418 -8.517 2.268 1.00 0.00 C ATOM 223 C GLU A 15 3.915 -9.572 1.295 1.00 0.00 C ATOM 224 O GLU A 15 3.318 -10.622 1.166 1.00 0.00 O ATOM 225 CB GLU A 15 1.915 -8.632 2.596 1.00 0.00 C ATOM 226 CG GLU A 15 1.610 -7.938 3.930 1.00 0.00 C ATOM 227 CD GLU A 15 0.655 -8.659 4.862 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.013 -9.633 4.470 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.445 -8.114 5.968 1.00 0.00 O ATOM 0 H GLU A 15 3.678 -7.130 0.723 1.00 0.00 H new ATOM 0 HA GLU A 15 3.960 -8.688 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.326 -8.179 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.626 -9.682 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.551 -7.783 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.199 -6.951 3.716 1.00 0.00 H new ATOM 236 N LYS A 16 5.043 -9.298 0.635 1.00 0.00 N ATOM 237 CA LYS A 16 5.905 -10.264 -0.040 1.00 0.00 C ATOM 238 C LYS A 16 7.059 -9.542 -0.671 1.00 0.00 C ATOM 239 O LYS A 16 8.192 -9.804 -0.290 1.00 0.00 O ATOM 240 CB LYS A 16 5.182 -11.068 -1.127 1.00 0.00 C ATOM 241 CG LYS A 16 6.079 -12.180 -1.690 1.00 0.00 C ATOM 242 CD LYS A 16 6.415 -13.296 -0.678 1.00 0.00 C ATOM 243 CE LYS A 16 5.579 -14.543 -0.968 1.00 0.00 C ATOM 244 NZ LYS A 16 6.298 -15.788 -0.634 1.00 0.00 N ATOM 0 H LYS A 16 5.396 -8.344 0.554 1.00 0.00 H new ATOM 0 HA LYS A 16 6.239 -10.969 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.273 -11.505 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.877 -10.401 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.587 -12.625 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.009 -11.736 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.476 -13.540 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.221 -12.947 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.652 -14.497 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.304 -14.556 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.693 -16.606 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.170 -15.847 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.538 -15.789 0.378 1.00 0.00 H new ATOM 258 N LEU A 17 6.795 -8.590 -1.569 1.00 0.00 N ATOM 259 CA LEU A 17 7.861 -7.836 -2.230 1.00 0.00 C ATOM 260 C LEU A 17 8.749 -7.152 -1.187 1.00 0.00 C ATOM 261 O LEU A 17 9.961 -7.060 -1.344 1.00 0.00 O ATOM 262 CB LEU A 17 7.273 -6.895 -3.315 1.00 0.00 C ATOM 263 CG LEU A 17 7.612 -7.346 -4.735 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.130 -7.291 -4.962 1.00 0.00 C ATOM 265 CD2 LEU A 17 6.972 -8.719 -4.979 1.00 0.00 C ATOM 0 H LEU A 17 5.853 -8.324 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 17 8.522 -8.511 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.190 -6.849 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.653 -5.885 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 17 7.193 -6.670 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.358 -7.615 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.482 -6.270 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.628 -7.950 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.205 -9.055 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.365 -9.437 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.891 -8.642 -4.863 1.00 0.00 H new ATOM 277 N LYS A 18 8.167 -6.823 -0.030 1.00 0.00 N ATOM 278 CA LYS A 18 8.850 -6.229 1.116 1.00 0.00 C ATOM 279 C LYS A 18 9.929 -7.151 1.710 1.00 0.00 C ATOM 280 O LYS A 18 10.784 -6.722 2.475 1.00 0.00 O ATOM 281 CB LYS A 18 7.790 -5.796 2.163 1.00 0.00 C ATOM 282 CG LYS A 18 7.690 -6.612 3.452 1.00 0.00 C ATOM 283 CD LYS A 18 7.117 -8.017 3.216 1.00 0.00 C ATOM 284 CE LYS A 18 7.486 -9.058 4.284 1.00 0.00 C ATOM 285 NZ LYS A 18 7.789 -8.495 5.619 1.00 0.00 N ATOM 0 H LYS A 18 7.172 -6.969 0.137 1.00 0.00 H new ATOM 0 HA LYS A 18 9.396 -5.347 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.992 -4.760 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.814 -5.813 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.679 -6.697 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.060 -6.081 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.031 -7.945 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.463 -8.376 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.663 -9.766 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.352 -9.622 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.910 -9.269 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.665 -7.936 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.005 -7.884 5.924 1.00 0.00 H new ATOM 299 N ILE A 19 9.832 -8.453 1.480 1.00 0.00 N ATOM 300 CA ILE A 19 10.743 -9.427 2.052 1.00 0.00 C ATOM 301 C ILE A 19 11.943 -9.558 1.115 1.00 0.00 C ATOM 302 O ILE A 19 13.024 -9.949 1.537 1.00 0.00 O ATOM 303 CB ILE A 19 9.964 -10.759 2.266 1.00 0.00 C ATOM 304 CG1 ILE A 19 10.134 -11.309 3.693 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.235 -11.861 1.225 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.948 -12.212 4.073 1.00 0.00 C ATOM 0 H ILE A 19 9.112 -8.864 0.886 1.00 0.00 H new ATOM 0 HA ILE A 19 11.127 -9.125 3.027 1.00 0.00 H new ATOM 0 HB ILE A 19 8.924 -10.471 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.064 -11.873 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.209 -10.483 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.643 -12.744 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.960 -11.501 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.294 -12.120 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.088 -12.590 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.023 -11.637 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.891 -13.049 3.378 1.00 0.00 H new ATOM 318 N ARG A 20 11.729 -9.244 -0.170 1.00 0.00 N ATOM 319 CA ARG A 20 12.780 -9.211 -1.176 1.00 0.00 C ATOM 320 C ARG A 20 13.518 -7.871 -1.122 1.00 0.00 C ATOM 321 O ARG A 20 14.722 -7.844 -1.382 1.00 0.00 O ATOM 322 CB ARG A 20 12.195 -9.505 -2.571 1.00 0.00 C ATOM 323 CG ARG A 20 11.469 -10.869 -2.630 1.00 0.00 C ATOM 324 CD ARG A 20 9.957 -10.771 -2.768 1.00 0.00 C ATOM 325 NE ARG A 20 9.541 -10.736 -4.190 1.00 0.00 N ATOM 326 CZ ARG A 20 9.129 -11.771 -4.944 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.114 -13.011 -4.455 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.778 -11.571 -6.214 1.00 0.00 N ATOM 0 H ARG A 20 10.808 -9.004 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 20 13.511 -9.992 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.497 -8.713 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.997 -9.491 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.862 -11.440 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.703 -11.431 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.490 -11.622 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.602 -9.873 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 20 9.570 -9.825 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.418 -13.185 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.799 -13.786 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.822 -10.634 -6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.466 -12.355 -6.786 1.00 0.00 H new ATOM 342 N SER A 21 12.825 -6.776 -0.794 1.00 0.00 N ATOM 343 CA SER A 21 13.420 -5.516 -0.380 1.00 0.00 C ATOM 344 C SER A 21 12.339 -4.690 0.338 1.00 0.00 C ATOM 345 O SER A 21 11.357 -4.293 -0.297 1.00 0.00 O ATOM 346 CB SER A 21 13.986 -4.778 -1.602 1.00 0.00 C ATOM 347 OG SER A 21 14.959 -3.833 -1.212 1.00 0.00 O ATOM 0 H SER A 21 11.806 -6.748 -0.812 1.00 0.00 H new ATOM 0 HA SER A 21 14.250 -5.684 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.427 -5.496 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.179 -4.276 -2.135 1.00 0.00 H new ATOM 0 HG SER A 21 15.308 -3.376 -2.006 1.00 0.00 H new ATOM 353 N ALA A 22 12.499 -4.500 1.653 1.00 0.00 N ATOM 354 CA ALA A 22 11.890 -3.546 2.594 1.00 0.00 C ATOM 355 C ALA A 22 12.427 -3.867 3.989 1.00 0.00 C ATOM 356 O ALA A 22 12.947 -4.963 4.226 1.00 0.00 O ATOM 357 CB ALA A 22 10.357 -3.656 2.696 1.00 0.00 C ATOM 0 H ALA A 22 13.154 -5.099 2.155 1.00 0.00 H new ATOM 0 HA ALA A 22 12.137 -2.549 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.986 -2.920 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.913 -3.470 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.086 -4.656 3.033 1.00 0.00 H new ATOM 363 N LYS A 23 12.200 -2.977 4.954 1.00 0.00 N ATOM 364 CA LYS A 23 12.463 -3.234 6.364 1.00 0.00 C ATOM 365 C LYS A 23 11.469 -2.477 7.226 1.00 0.00 C ATOM 366 O LYS A 23 10.490 -1.949 6.708 1.00 0.00 O ATOM 367 CB LYS A 23 13.917 -2.858 6.702 1.00 0.00 C ATOM 368 CG LYS A 23 14.736 -3.844 7.542 1.00 0.00 C ATOM 369 CD LYS A 23 15.103 -5.128 6.790 1.00 0.00 C ATOM 370 CE LYS A 23 13.919 -6.077 6.905 1.00 0.00 C ATOM 371 NZ LYS A 23 14.246 -7.376 7.524 1.00 0.00 N ATOM 0 H LYS A 23 11.824 -2.046 4.773 1.00 0.00 H new ATOM 0 HA LYS A 23 12.337 -4.296 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.448 -2.697 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.902 -1.903 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.650 -3.353 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.170 -4.105 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.321 -4.911 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.999 -5.579 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.136 -5.595 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.510 -6.253 5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.390 -7.965 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.971 -7.859 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.608 -7.221 8.487 1.00 0.00 H new ATOM 385 N ALA A 24 11.698 -2.462 8.540 1.00 0.00 N ATOM 386 CA ALA A 24 10.811 -1.755 9.447 1.00 0.00 C ATOM 387 C ALA A 24 10.817 -0.257 9.178 1.00 0.00 C ATOM 388 O ALA A 24 9.786 0.398 9.354 1.00 0.00 O ATOM 389 CB ALA A 24 11.252 -1.970 10.887 1.00 0.00 C ATOM 0 H ALA A 24 12.485 -2.929 8.991 1.00 0.00 H new ATOM 0 HA ALA A 24 9.808 -2.150 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.579 -1.435 11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.226 -3.034 11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.267 -1.595 11.017 1.00 0.00 H new ATOM 395 N GLU A 25 11.967 0.301 8.780 1.00 0.00 N ATOM 396 CA GLU A 25 12.018 1.662 8.287 1.00 0.00 C ATOM 397 C GLU A 25 11.884 1.586 6.778 1.00 0.00 C ATOM 398 O GLU A 25 12.827 1.819 6.019 1.00 0.00 O ATOM 399 CB GLU A 25 13.256 2.454 8.749 1.00 0.00 C ATOM 400 CG GLU A 25 12.873 3.785 9.415 1.00 0.00 C ATOM 401 CD GLU A 25 12.076 4.755 8.528 1.00 0.00 C ATOM 402 OE1 GLU A 25 10.840 4.605 8.425 1.00 0.00 O ATOM 403 OE2 GLU A 25 12.649 5.748 8.008 1.00 0.00 O ATOM 0 H GLU A 25 12.868 -0.177 8.794 1.00 0.00 H new ATOM 0 HA GLU A 25 11.197 2.236 8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.832 1.850 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.901 2.650 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.287 3.570 10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.785 4.284 9.744 1.00 0.00 H new ATOM 410 N ASP A 26 10.704 1.193 6.334 1.00 0.00 N ATOM 411 CA ASP A 26 10.275 1.451 4.974 1.00 0.00 C ATOM 412 C ASP A 26 8.935 2.183 4.993 1.00 0.00 C ATOM 413 O ASP A 26 8.280 2.283 6.038 1.00 0.00 O ATOM 414 CB ASP A 26 10.223 0.132 4.202 1.00 0.00 C ATOM 415 CG ASP A 26 10.587 0.273 2.729 1.00 0.00 C ATOM 416 OD1 ASP A 26 11.667 0.842 2.449 1.00 0.00 O ATOM 417 OD2 ASP A 26 9.864 -0.293 1.887 1.00 0.00 O ATOM 0 H ASP A 26 10.022 0.690 6.902 1.00 0.00 H new ATOM 0 HA ASP A 26 10.985 2.098 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.903 -0.580 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.220 -0.287 4.281 1.00 0.00 H new ATOM 422 N LYS A 27 8.523 2.719 3.846 1.00 0.00 N ATOM 423 CA LYS A 27 7.361 3.585 3.709 1.00 0.00 C ATOM 424 C LYS A 27 6.610 3.059 2.494 1.00 0.00 C ATOM 425 O LYS A 27 7.256 2.859 1.467 1.00 0.00 O ATOM 426 CB LYS A 27 7.795 5.056 3.526 1.00 0.00 C ATOM 427 CG LYS A 27 8.752 5.635 4.590 1.00 0.00 C ATOM 428 CD LYS A 27 10.234 5.483 4.197 1.00 0.00 C ATOM 429 CE LYS A 27 11.198 5.794 5.348 1.00 0.00 C ATOM 430 NZ LYS A 27 11.489 7.231 5.524 1.00 0.00 N ATOM 0 H LYS A 27 9.005 2.556 2.962 1.00 0.00 H new ATOM 0 HA LYS A 27 6.729 3.572 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.273 5.151 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.898 5.675 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.526 6.691 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.579 5.133 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.409 4.465 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.451 6.147 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.777 5.404 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.135 5.264 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.092 7.363 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.982 7.591 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.598 7.752 5.653 1.00 0.00 H new ATOM 444 N ILE A 28 5.327 2.702 2.614 1.00 0.00 N ATOM 445 CA ILE A 28 4.587 2.090 1.515 1.00 0.00 C ATOM 446 C ILE A 28 3.099 2.470 1.620 1.00 0.00 C ATOM 447 O ILE A 28 2.604 2.748 2.715 1.00 0.00 O ATOM 448 CB ILE A 28 4.783 0.550 1.504 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.178 -0.019 1.896 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.478 0.079 0.074 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.104 -1.500 2.263 1.00 0.00 C ATOM 0 H ILE A 28 4.781 2.829 3.466 1.00 0.00 H new ATOM 0 HA ILE A 28 4.974 2.469 0.569 1.00 0.00 H new ATOM 0 HB ILE A 28 4.119 0.178 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.872 0.116 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.577 0.545 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.602 -1.002 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.452 0.342 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.163 0.563 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.098 -1.859 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.431 -1.632 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.730 -2.068 1.411 1.00 0.00 H new ATOM 463 N VAL A 29 2.382 2.432 0.490 1.00 0.00 N ATOM 464 CA VAL A 29 0.946 2.700 0.355 1.00 0.00 C ATOM 465 C VAL A 29 0.331 1.781 -0.711 1.00 0.00 C ATOM 466 O VAL A 29 1.037 1.413 -1.643 1.00 0.00 O ATOM 467 CB VAL A 29 0.703 4.197 0.035 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.738 4.529 -0.401 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.012 5.025 1.288 1.00 0.00 C ATOM 0 H VAL A 29 2.813 2.200 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 29 0.452 2.483 1.302 1.00 0.00 H new ATOM 0 HB VAL A 29 1.356 4.435 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.820 5.597 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.984 3.967 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.431 4.258 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.845 6.081 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.359 4.710 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.052 4.873 1.577 1.00 0.00 H new ATOM 479 N LEU A 30 -0.972 1.462 -0.610 1.00 0.00 N ATOM 480 CA LEU A 30 -1.753 0.687 -1.581 1.00 0.00 C ATOM 481 C LEU A 30 -2.819 1.580 -2.189 1.00 0.00 C ATOM 482 O LEU A 30 -3.501 2.290 -1.448 1.00 0.00 O ATOM 483 CB LEU A 30 -2.456 -0.548 -0.942 1.00 0.00 C ATOM 484 CG LEU A 30 -2.024 -1.050 0.446 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.965 -2.174 0.898 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.621 -1.642 0.422 1.00 0.00 C ATOM 0 H LEU A 30 -1.532 1.753 0.191 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.055 0.323 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.521 -0.322 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.342 -1.380 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.053 -0.193 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.660 -2.531 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.986 -1.795 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.919 -2.996 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.354 -1.985 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.593 -2.484 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.089 -0.882 0.097 1.00 0.00 H new ATOM 498 N ILE A 31 -3.015 1.492 -3.507 1.00 0.00 N ATOM 499 CA ILE A 31 -4.074 2.212 -4.202 1.00 0.00 C ATOM 500 C ILE A 31 -4.869 1.249 -5.080 1.00 0.00 C ATOM 501 O ILE A 31 -4.587 0.057 -5.085 1.00 0.00 O ATOM 502 CB ILE A 31 -3.511 3.427 -4.964 1.00 0.00 C ATOM 503 CG1 ILE A 31 -2.977 3.053 -6.363 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.460 4.220 -4.169 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.672 4.274 -7.214 1.00 0.00 C ATOM 0 H ILE A 31 -2.439 0.916 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.774 2.624 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.365 4.090 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.073 2.454 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.712 2.432 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.109 5.060 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.906 4.593 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.619 3.570 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.300 3.955 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.581 4.861 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.916 4.883 -6.718 1.00 0.00 H new ATOM 517 N GLN A 32 -5.839 1.764 -5.836 1.00 0.00 N ATOM 518 CA GLN A 32 -6.692 1.100 -6.812 1.00 0.00 C ATOM 519 C GLN A 32 -6.937 -0.368 -6.460 1.00 0.00 C ATOM 520 O GLN A 32 -7.638 -0.676 -5.504 1.00 0.00 O ATOM 521 CB GLN A 32 -6.148 1.266 -8.235 1.00 0.00 C ATOM 522 CG GLN A 32 -6.134 2.695 -8.760 1.00 0.00 C ATOM 523 CD GLN A 32 -7.523 3.108 -9.224 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.908 2.839 -10.359 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.296 3.781 -8.395 1.00 0.00 N ATOM 0 H GLN A 32 -6.066 2.756 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.664 1.593 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.131 0.874 -8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.746 0.654 -8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.789 3.372 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.429 2.778 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.967 3.999 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.223 4.083 -8.694 1.00 0.00 H new ATOM 534 N ASN A 33 -6.294 -1.273 -7.204 1.00 0.00 N ATOM 535 CA ASN A 33 -6.373 -2.709 -6.997 1.00 0.00 C ATOM 536 C ASN A 33 -5.309 -3.173 -6.016 1.00 0.00 C ATOM 537 O ASN A 33 -5.531 -4.170 -5.349 1.00 0.00 O ATOM 538 CB ASN A 33 -6.255 -3.478 -8.323 1.00 0.00 C ATOM 539 CG ASN A 33 -7.361 -3.052 -9.284 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.496 -3.503 -9.159 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.103 -2.102 -10.172 1.00 0.00 N ATOM 0 H ASN A 33 -5.691 -1.013 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.354 -2.925 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.280 -3.291 -8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.319 -4.550 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.852 -1.737 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.156 -1.736 -10.266 1.00 0.00 H new ATOM 548 N GLY A 34 -4.175 -2.474 -5.884 1.00 0.00 N ATOM 549 CA GLY A 34 -3.155 -2.683 -4.850 1.00 0.00 C ATOM 550 C GLY A 34 -3.727 -2.901 -3.455 1.00 0.00 C ATOM 551 O GLY A 34 -3.121 -3.582 -2.635 1.00 0.00 O ATOM 0 H GLY A 34 -3.933 -1.716 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.547 -3.546 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.491 -1.819 -4.829 1.00 0.00 H new ATOM 555 N VAL A 35 -4.921 -2.387 -3.179 1.00 0.00 N ATOM 556 CA VAL A 35 -5.660 -2.652 -1.958 1.00 0.00 C ATOM 557 C VAL A 35 -5.768 -4.155 -1.613 1.00 0.00 C ATOM 558 O VAL A 35 -5.905 -4.491 -0.432 1.00 0.00 O ATOM 559 CB VAL A 35 -7.034 -1.976 -2.074 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.907 -0.460 -2.284 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.931 -2.623 -3.145 1.00 0.00 C ATOM 0 H VAL A 35 -5.411 -1.759 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.109 -2.229 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.533 -2.136 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.901 -0.019 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.379 -0.019 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.351 -0.265 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.888 -2.103 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.444 -2.554 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.097 -3.671 -2.896 1.00 0.00 H new ATOM 571 N PHE A 36 -5.640 -5.062 -2.594 1.00 0.00 N ATOM 572 CA PHE A 36 -5.592 -6.505 -2.402 1.00 0.00 C ATOM 573 C PHE A 36 -4.528 -6.946 -1.380 1.00 0.00 C ATOM 574 O PHE A 36 -4.701 -7.984 -0.754 1.00 0.00 O ATOM 575 CB PHE A 36 -5.370 -7.202 -3.763 1.00 0.00 C ATOM 576 CG PHE A 36 -6.598 -7.280 -4.665 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.781 -7.868 -4.186 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.582 -6.781 -5.985 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.942 -7.872 -4.973 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.753 -6.760 -6.766 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.940 -7.294 -6.251 1.00 0.00 C ATOM 0 H PHE A 36 -5.565 -4.793 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.552 -6.808 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.580 -6.675 -4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.010 -8.214 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.796 -8.320 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.658 -6.410 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.846 -8.324 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.736 -6.334 -7.758 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.849 -7.261 -6.834 1.00 0.00 H new ATOM 591 N TRP A 37 -3.468 -6.170 -1.131 1.00 0.00 N ATOM 592 CA TRP A 37 -2.478 -6.573 -0.130 1.00 0.00 C ATOM 593 C TRP A 37 -3.039 -6.534 1.302 1.00 0.00 C ATOM 594 O TRP A 37 -2.476 -7.185 2.186 1.00 0.00 O ATOM 595 CB TRP A 37 -1.174 -5.768 -0.195 1.00 0.00 C ATOM 596 CG TRP A 37 -0.350 -5.920 -1.438 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.347 -5.069 -2.486 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.642 -6.946 -1.759 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.532 -5.523 -3.443 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.238 -6.627 -3.012 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.109 -8.111 -1.120 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.285 -7.389 -3.558 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.167 -8.873 -1.650 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.789 -8.492 -2.852 1.00 0.00 C ATOM 0 H TRP A 37 -3.277 -5.282 -1.595 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.240 -7.605 -0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.419 -4.713 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.557 -6.050 0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.942 -4.171 -2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.648 -5.094 -4.361 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.643 -8.428 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.701 -7.126 -4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.504 -9.757 -1.129 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.641 -9.040 -3.226 1.00 0.00 H new ATOM 615 N ALA A 38 -4.099 -5.768 1.595 1.00 0.00 N ATOM 616 CA ALA A 38 -4.672 -5.634 2.941 1.00 0.00 C ATOM 617 C ALA A 38 -5.612 -6.778 3.281 1.00 0.00 C ATOM 618 O ALA A 38 -6.646 -6.527 3.901 1.00 0.00 O ATOM 619 CB ALA A 38 -5.392 -4.295 3.072 1.00 0.00 C ATOM 0 H ALA A 38 -4.590 -5.215 0.892 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.849 -5.673 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.813 -4.205 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.685 -3.483 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.193 -4.239 2.335 1.00 0.00 H new ATOM 625 N LEU A 39 -5.249 -8.003 2.888 1.00 0.00 N ATOM 626 CA LEU A 39 -6.056 -9.214 3.017 1.00 0.00 C ATOM 627 C LEU A 39 -5.279 -10.433 2.494 1.00 0.00 C ATOM 628 O LEU A 39 -5.853 -11.347 1.900 1.00 0.00 O ATOM 629 CB LEU A 39 -7.434 -8.972 2.368 1.00 0.00 C ATOM 630 CG LEU A 39 -7.487 -8.240 1.008 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.444 -9.197 -0.181 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.744 -7.371 0.971 1.00 0.00 C ATOM 0 H LEU A 39 -4.344 -8.182 2.452 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.258 -9.451 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.917 -9.941 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.039 -8.404 3.075 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.597 -7.617 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.484 -8.626 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.520 -9.775 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.297 -9.874 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.796 -6.847 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.626 -8.001 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.708 -6.644 1.782 1.00 0.00 H new ATOM 644 N GLU A 40 -3.975 -10.443 2.792 1.00 0.00 N ATOM 645 CA GLU A 40 -2.943 -11.410 2.413 1.00 0.00 C ATOM 646 C GLU A 40 -2.450 -12.184 3.636 1.00 0.00 C ATOM 647 O GLU A 40 -2.951 -11.983 4.744 1.00 0.00 O ATOM 648 CB GLU A 40 -1.768 -10.630 1.804 1.00 0.00 C ATOM 649 CG GLU A 40 -2.116 -10.089 0.428 1.00 0.00 C ATOM 650 CD GLU A 40 -2.020 -11.119 -0.709 1.00 0.00 C ATOM 651 OE1 GLU A 40 -1.424 -12.204 -0.508 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.404 -10.815 -1.858 1.00 0.00 O ATOM 0 H GLU A 40 -3.578 -9.697 3.363 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.355 -12.123 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.496 -9.805 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.896 -11.280 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.130 -9.691 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.452 -9.255 0.202 1.00 0.00 H new ATOM 659 N GLU A 41 -1.442 -13.033 3.447 1.00 0.00 N ATOM 660 CA GLU A 41 -1.028 -14.060 4.395 1.00 0.00 C ATOM 661 C GLU A 41 0.386 -13.868 4.940 1.00 0.00 C ATOM 662 O GLU A 41 1.156 -14.825 5.067 1.00 0.00 O ATOM 663 CB GLU A 41 -1.229 -15.438 3.744 1.00 0.00 C ATOM 664 CG GLU A 41 -0.475 -15.568 2.403 1.00 0.00 C ATOM 665 CD GLU A 41 -0.195 -17.026 2.051 1.00 0.00 C ATOM 666 OE1 GLU A 41 0.860 -17.557 2.473 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.019 -17.668 1.363 1.00 0.00 O ATOM 0 H GLU A 41 -0.873 -13.023 2.600 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.659 -13.978 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.886 -16.214 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.293 -15.607 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.064 -15.109 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.466 -15.020 2.460 1.00 0.00 H new ATOM 674 N LEU A 42 0.750 -12.625 5.220 1.00 0.00 N ATOM 675 CA LEU A 42 2.131 -12.222 5.415 1.00 0.00 C ATOM 676 C LEU A 42 2.199 -11.071 6.418 1.00 0.00 C ATOM 677 O LEU A 42 1.304 -10.867 7.239 1.00 0.00 O ATOM 678 CB LEU A 42 2.711 -11.859 4.037 1.00 0.00 C ATOM 679 CG LEU A 42 3.996 -12.607 3.612 1.00 0.00 C ATOM 680 CD1 LEU A 42 5.184 -12.370 4.548 1.00 0.00 C ATOM 681 CD2 LEU A 42 3.787 -14.105 3.413 1.00 0.00 C ATOM 0 H LEU A 42 0.084 -11.859 5.319 1.00 0.00 H new ATOM 0 HA LEU A 42 2.731 -13.028 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.944 -12.043 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.919 -10.789 4.025 1.00 0.00 H new ATOM 0 HG LEU A 42 4.242 -12.168 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.049 -12.926 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.421 -11.306 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.929 -12.708 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.728 -14.567 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.442 -14.551 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.041 -14.268 2.635 1.00 0.00 H new ATOM 693 N GLU A 43 3.304 -10.329 6.392 1.00 0.00 N ATOM 694 CA GLU A 43 3.633 -9.303 7.354 1.00 0.00 C ATOM 695 C GLU A 43 4.349 -8.164 6.639 1.00 0.00 C ATOM 696 O GLU A 43 5.034 -8.354 5.630 1.00 0.00 O ATOM 697 CB GLU A 43 4.537 -9.894 8.453 1.00 0.00 C ATOM 698 CG GLU A 43 5.749 -10.685 7.914 1.00 0.00 C ATOM 699 CD GLU A 43 7.051 -10.337 8.625 1.00 0.00 C ATOM 700 OE1 GLU A 43 7.394 -11.005 9.628 1.00 0.00 O ATOM 701 OE2 GLU A 43 7.759 -9.441 8.103 1.00 0.00 O ATOM 0 H GLU A 43 4.016 -10.437 5.669 1.00 0.00 H new ATOM 0 HA GLU A 43 2.723 -8.923 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.898 -9.084 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.940 -10.551 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.556 -11.752 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.860 -10.488 6.848 1.00 0.00 H new ATOM 708 N THR A 44 4.270 -6.998 7.254 1.00 0.00 N ATOM 709 CA THR A 44 5.135 -5.836 7.096 1.00 0.00 C ATOM 710 C THR A 44 5.639 -5.472 8.481 1.00 0.00 C ATOM 711 O THR A 44 4.890 -5.577 9.459 1.00 0.00 O ATOM 712 CB THR A 44 4.362 -4.654 6.488 1.00 0.00 C ATOM 713 OG1 THR A 44 5.219 -3.555 6.364 1.00 0.00 O ATOM 714 CG2 THR A 44 3.121 -4.254 7.293 1.00 0.00 C ATOM 0 H THR A 44 3.534 -6.821 7.938 1.00 0.00 H new ATOM 0 HA THR A 44 5.960 -6.064 6.421 1.00 0.00 H new ATOM 0 HB THR A 44 4.004 -4.980 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.904 -2.828 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.626 -3.414 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.434 -5.099 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.419 -3.964 8.301 1.00 0.00 H new ATOM 722 N PRO A 45 6.889 -5.011 8.604 1.00 0.00 N ATOM 723 CA PRO A 45 7.304 -4.173 9.702 1.00 0.00 C ATOM 724 C PRO A 45 7.282 -2.666 9.345 1.00 0.00 C ATOM 725 O PRO A 45 7.397 -1.810 10.222 1.00 0.00 O ATOM 726 CB PRO A 45 8.694 -4.710 10.002 1.00 0.00 C ATOM 727 CG PRO A 45 9.251 -5.209 8.668 1.00 0.00 C ATOM 728 CD PRO A 45 8.025 -5.387 7.780 1.00 0.00 C ATOM 0 HA PRO A 45 6.639 -4.215 10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.330 -3.932 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.651 -5.517 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.951 -4.492 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.791 -6.148 8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.090 -4.759 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.936 -6.418 7.436 1.00 0.00 H new ATOM 736 N ALA A 46 7.132 -2.327 8.063 1.00 0.00 N ATOM 737 CA ALA A 46 7.036 -0.964 7.545 1.00 0.00 C ATOM 738 C ALA A 46 5.630 -0.401 7.758 1.00 0.00 C ATOM 739 O ALA A 46 4.687 -1.167 8.009 1.00 0.00 O ATOM 740 CB ALA A 46 7.285 -1.010 6.034 1.00 0.00 C ATOM 0 H ALA A 46 7.072 -3.029 7.325 1.00 0.00 H new ATOM 0 HA ALA A 46 7.763 -0.338 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.218 -0.002 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.278 -1.416 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.536 -1.645 5.561 1.00 0.00 H new ATOM 746 N LYS A 47 5.447 0.910 7.547 1.00 0.00 N ATOM 747 CA LYS A 47 4.125 1.511 7.632 1.00 0.00 C ATOM 748 C LYS A 47 3.426 1.182 6.323 1.00 0.00 C ATOM 749 O LYS A 47 4.047 1.248 5.257 1.00 0.00 O ATOM 750 CB LYS A 47 4.203 3.019 7.895 1.00 0.00 C ATOM 751 CG LYS A 47 5.250 3.725 7.027 1.00 0.00 C ATOM 752 CD LYS A 47 4.973 5.204 6.776 1.00 0.00 C ATOM 753 CE LYS A 47 4.879 6.056 8.056 1.00 0.00 C ATOM 754 NZ LYS A 47 6.177 6.626 8.466 1.00 0.00 N ATOM 0 H LYS A 47 6.196 1.563 7.318 1.00 0.00 H new ATOM 0 HA LYS A 47 3.562 1.112 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.226 3.465 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.437 3.187 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.225 3.627 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.313 3.212 6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.763 5.607 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.039 5.298 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.167 6.866 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.486 5.442 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.051 7.188 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.852 5.856 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.544 7.236 7.707 1.00 0.00 H new ATOM 768 N VAL A 48 2.162 0.781 6.404 1.00 0.00 N ATOM 769 CA VAL A 48 1.421 0.256 5.287 1.00 0.00 C ATOM 770 C VAL A 48 0.057 0.868 5.444 1.00 0.00 C ATOM 771 O VAL A 48 -0.652 0.569 6.399 1.00 0.00 O ATOM 772 CB VAL A 48 1.434 -1.280 5.334 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.303 -1.892 4.497 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.813 -1.757 4.846 1.00 0.00 C ATOM 0 H VAL A 48 1.623 0.817 7.269 1.00 0.00 H new ATOM 0 HA VAL A 48 1.834 0.501 4.308 1.00 0.00 H new ATOM 0 HB VAL A 48 1.261 -1.613 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.351 -2.979 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.659 -1.549 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.412 -1.583 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.850 -2.846 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.978 -1.410 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.589 -1.354 5.497 1.00 0.00 H new ATOM 784 N TYR A 49 -0.265 1.764 4.527 1.00 0.00 N ATOM 785 CA TYR A 49 -1.502 2.501 4.549 1.00 0.00 C ATOM 786 C TYR A 49 -2.187 2.271 3.208 1.00 0.00 C ATOM 787 O TYR A 49 -1.518 2.167 2.184 1.00 0.00 O ATOM 788 CB TYR A 49 -1.159 3.968 4.778 1.00 0.00 C ATOM 789 CG TYR A 49 -0.550 4.340 6.127 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.377 4.377 7.265 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.804 4.724 6.257 1.00 0.00 C ATOM 792 CE1 TYR A 49 -0.884 4.774 8.520 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.271 5.219 7.488 1.00 0.00 C ATOM 794 CZ TYR A 49 0.448 5.219 8.631 1.00 0.00 C ATOM 795 OH TYR A 49 0.945 5.655 9.820 1.00 0.00 O ATOM 0 H TYR A 49 0.338 1.998 3.739 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.177 2.182 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.465 4.278 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.070 4.552 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.415 4.094 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.476 4.638 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.521 4.738 9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.277 5.605 7.558 1.00 0.00 H new ATOM 0 HH TYR A 49 1.881 5.921 9.705 1.00 0.00 H new ATOM 805 N ALA A 50 -3.510 2.189 3.167 1.00 0.00 N ATOM 806 CA ALA A 50 -4.234 1.919 1.930 1.00 0.00 C ATOM 807 C ALA A 50 -5.167 3.091 1.640 1.00 0.00 C ATOM 808 O ALA A 50 -5.652 3.737 2.570 1.00 0.00 O ATOM 809 CB ALA A 50 -5.001 0.621 2.096 1.00 0.00 C ATOM 0 H ALA A 50 -4.109 2.307 3.984 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.552 1.812 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.549 0.403 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.303 -0.190 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.703 0.716 2.925 1.00 0.00 H new ATOM 815 N ILE A 51 -5.438 3.364 0.366 1.00 0.00 N ATOM 816 CA ILE A 51 -6.325 4.452 -0.017 1.00 0.00 C ATOM 817 C ILE A 51 -7.753 3.980 0.170 1.00 0.00 C ATOM 818 O ILE A 51 -8.245 3.122 -0.569 1.00 0.00 O ATOM 819 CB ILE A 51 -6.025 4.966 -1.446 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.643 5.626 -1.554 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.098 5.962 -1.930 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.332 6.751 -0.563 1.00 0.00 C ATOM 0 H ILE A 51 -5.052 2.842 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.159 5.319 0.623 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.037 4.083 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.887 4.850 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.535 6.024 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.853 6.300 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.072 5.472 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.129 6.819 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.327 7.130 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.053 7.558 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.394 6.367 0.455 1.00 0.00 H new ATOM 834 N LYS A 52 -8.406 4.600 1.151 1.00 0.00 N ATOM 835 CA LYS A 52 -9.784 4.361 1.519 1.00 0.00 C ATOM 836 C LYS A 52 -10.687 4.445 0.303 1.00 0.00 C ATOM 837 O LYS A 52 -11.328 3.459 -0.028 1.00 0.00 O ATOM 838 CB LYS A 52 -10.163 5.318 2.662 1.00 0.00 C ATOM 839 CG LYS A 52 -11.513 4.871 3.238 1.00 0.00 C ATOM 840 CD LYS A 52 -11.778 5.350 4.668 1.00 0.00 C ATOM 841 CE LYS A 52 -12.490 6.701 4.669 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.007 7.027 6.013 1.00 0.00 N ATOM 0 H LYS A 52 -7.962 5.312 1.731 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.918 3.347 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.397 5.306 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.228 6.342 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.310 5.238 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.561 3.782 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.385 4.614 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.835 5.431 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.801 7.479 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.312 6.683 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.614 7.869 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.561 6.225 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.211 7.217 6.655 1.00 0.00 H new ATOM 856 N ASP A 53 -10.696 5.586 -0.385 1.00 0.00 N ATOM 857 CA ASP A 53 -11.530 5.818 -1.564 1.00 0.00 C ATOM 858 C ASP A 53 -11.379 4.686 -2.569 1.00 0.00 C ATOM 859 O ASP A 53 -12.365 4.091 -2.990 1.00 0.00 O ATOM 860 CB ASP A 53 -11.115 7.141 -2.234 1.00 0.00 C ATOM 861 CG ASP A 53 -12.071 8.291 -1.970 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.684 8.348 -0.878 1.00 0.00 O ATOM 863 OD2 ASP A 53 -12.128 9.205 -2.819 1.00 0.00 O ATOM 0 H ASP A 53 -10.116 6.387 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.571 5.866 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.122 7.419 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.039 6.984 -3.310 1.00 0.00 H new ATOM 868 N ASP A 54 -10.143 4.361 -2.939 1.00 0.00 N ATOM 869 CA ASP A 54 -9.885 3.395 -3.993 1.00 0.00 C ATOM 870 C ASP A 54 -10.357 2.001 -3.596 1.00 0.00 C ATOM 871 O ASP A 54 -10.875 1.285 -4.450 1.00 0.00 O ATOM 872 CB ASP A 54 -8.396 3.389 -4.343 1.00 0.00 C ATOM 873 CG ASP A 54 -8.004 4.477 -5.348 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.776 5.426 -5.598 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.926 4.357 -5.973 1.00 0.00 O ATOM 0 H ASP A 54 -9.302 4.758 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.452 3.691 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.815 3.521 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.130 2.414 -4.752 1.00 0.00 H new ATOM 880 N PHE A 55 -10.222 1.628 -2.321 1.00 0.00 N ATOM 881 CA PHE A 55 -10.677 0.364 -1.751 1.00 0.00 C ATOM 882 C PHE A 55 -12.192 0.261 -1.783 1.00 0.00 C ATOM 883 O PHE A 55 -12.753 -0.751 -2.199 1.00 0.00 O ATOM 884 CB PHE A 55 -10.194 0.310 -0.302 1.00 0.00 C ATOM 885 CG PHE A 55 -10.403 -0.986 0.456 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.910 -2.193 -0.061 1.00 0.00 C ATOM 887 CD2 PHE A 55 -10.946 -0.972 1.755 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.876 -3.356 0.719 1.00 0.00 C ATOM 889 CE2 PHE A 55 -10.973 -2.153 2.515 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.428 -3.344 2.006 1.00 0.00 C ATOM 0 H PHE A 55 -9.772 2.228 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.275 -0.465 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.128 0.537 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.693 1.107 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.550 -2.226 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.341 -0.055 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.426 -4.257 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.417 -2.146 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.435 -4.244 2.603 1.00 0.00 H new ATOM 900 N LEU A 56 -12.857 1.330 -1.366 1.00 0.00 N ATOM 901 CA LEU A 56 -14.302 1.457 -1.406 1.00 0.00 C ATOM 902 C LEU A 56 -14.768 1.355 -2.851 1.00 0.00 C ATOM 903 O LEU A 56 -15.742 0.657 -3.136 1.00 0.00 O ATOM 904 CB LEU A 56 -14.677 2.799 -0.765 1.00 0.00 C ATOM 905 CG LEU A 56 -14.345 2.840 0.741 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.571 4.264 1.251 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.200 1.877 1.568 1.00 0.00 C ATOM 0 H LEU A 56 -12.392 2.152 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.794 0.660 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.146 3.603 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.742 2.981 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.306 2.530 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.341 4.310 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.922 4.952 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.612 4.546 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.920 1.952 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.253 2.136 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.038 0.857 1.221 1.00 0.00 H new ATOM 919 N ALA A 57 -14.025 1.962 -3.777 1.00 0.00 N ATOM 920 CA ALA A 57 -14.282 1.871 -5.199 1.00 0.00 C ATOM 921 C ALA A 57 -13.923 0.486 -5.754 1.00 0.00 C ATOM 922 O ALA A 57 -14.266 0.197 -6.905 1.00 0.00 O ATOM 923 CB ALA A 57 -13.538 2.983 -5.947 1.00 0.00 C ATOM 0 H ALA A 57 -13.216 2.539 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.352 2.007 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.741 2.902 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.877 3.954 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.467 2.885 -5.773 1.00 0.00 H new ATOM 929 N ARG A 58 -13.280 -0.391 -4.969 1.00 0.00 N ATOM 930 CA ARG A 58 -13.000 -1.779 -5.362 1.00 0.00 C ATOM 931 C ARG A 58 -13.883 -2.723 -4.531 1.00 0.00 C ATOM 932 O ARG A 58 -13.533 -3.889 -4.340 1.00 0.00 O ATOM 933 CB ARG A 58 -11.482 -2.021 -5.114 1.00 0.00 C ATOM 934 CG ARG A 58 -10.637 -2.449 -6.323 1.00 0.00 C ATOM 935 CD ARG A 58 -10.389 -3.961 -6.399 1.00 0.00 C ATOM 936 NE ARG A 58 -11.559 -4.700 -6.897 1.00 0.00 N ATOM 937 CZ ARG A 58 -11.929 -4.788 -8.182 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.223 -4.213 -9.154 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.018 -5.474 -8.502 1.00 0.00 N ATOM 0 H ARG A 58 -12.938 -0.155 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.227 -1.969 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.054 -1.103 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.382 -2.786 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.136 -2.125 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.677 -1.934 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.537 -4.154 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.123 -4.332 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.135 -5.185 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.377 -3.689 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.528 -4.296 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.567 -5.929 -7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.307 -5.546 -9.478 1.00 0.00 H new ATOM 953 N GLY A 59 -15.113 -2.291 -4.237 1.00 0.00 N ATOM 954 CA GLY A 59 -16.184 -3.069 -3.633 1.00 0.00 C ATOM 955 C GLY A 59 -16.113 -3.260 -2.117 1.00 0.00 C ATOM 956 O GLY A 59 -17.075 -3.783 -1.556 1.00 0.00 O ATOM 0 H GLY A 59 -15.398 -1.331 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.133 -2.589 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.198 -4.053 -4.101 1.00 0.00 H new ATOM 960 N TYR A 60 -15.034 -2.871 -1.434 1.00 0.00 N ATOM 961 CA TYR A 60 -14.829 -3.157 -0.020 1.00 0.00 C ATOM 962 C TYR A 60 -15.576 -2.150 0.850 1.00 0.00 C ATOM 963 O TYR A 60 -16.377 -1.351 0.360 1.00 0.00 O ATOM 964 CB TYR A 60 -13.327 -3.175 0.284 1.00 0.00 C ATOM 965 CG TYR A 60 -12.554 -4.269 -0.417 1.00 0.00 C ATOM 966 CD1 TYR A 60 -11.992 -4.024 -1.680 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.323 -5.501 0.224 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.236 -5.010 -2.324 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.620 -6.515 -0.440 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.084 -6.271 -1.720 1.00 0.00 C ATOM 971 OH TYR A 60 -10.423 -7.233 -2.404 1.00 0.00 O ATOM 0 H TYR A 60 -14.271 -2.342 -1.856 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.236 -4.140 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.902 -2.211 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.189 -3.283 1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.144 -3.068 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.688 -5.664 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.773 -4.804 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.490 -7.480 0.027 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.121 -6.874 -3.264 1.00 0.00 H new ATOM 981 N SER A 61 -15.318 -2.218 2.152 1.00 0.00 N ATOM 982 CA SER A 61 -15.863 -1.347 3.163 1.00 0.00 C ATOM 983 C SER A 61 -14.752 -0.970 4.142 1.00 0.00 C ATOM 984 O SER A 61 -13.661 -1.545 4.078 1.00 0.00 O ATOM 985 CB SER A 61 -17.034 -2.087 3.795 1.00 0.00 C ATOM 986 OG SER A 61 -16.628 -3.149 4.646 1.00 0.00 O ATOM 0 H SER A 61 -14.690 -2.921 2.540 1.00 0.00 H new ATOM 0 HA SER A 61 -16.239 -0.404 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.636 -1.381 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.673 -2.485 3.007 1.00 0.00 H new ATOM 0 HG SER A 61 -16.059 -3.770 4.145 1.00 0.00 H new ATOM 992 N GLU A 62 -14.997 -0.032 5.057 1.00 0.00 N ATOM 993 CA GLU A 62 -13.945 0.490 5.927 1.00 0.00 C ATOM 994 C GLU A 62 -13.404 -0.564 6.895 1.00 0.00 C ATOM 995 O GLU A 62 -12.361 -0.374 7.529 1.00 0.00 O ATOM 996 CB GLU A 62 -14.413 1.699 6.742 1.00 0.00 C ATOM 997 CG GLU A 62 -14.954 2.864 5.912 1.00 0.00 C ATOM 998 CD GLU A 62 -15.072 4.127 6.771 1.00 0.00 C ATOM 999 OE1 GLU A 62 -14.016 4.703 7.132 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -16.205 4.604 7.020 1.00 0.00 O ATOM 0 H GLU A 62 -15.916 0.382 5.214 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.147 0.795 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.189 1.374 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.579 2.058 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.293 3.053 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.930 2.604 5.502 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.114 -1.681 7.031 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.864 -2.656 8.069 1.00 0.00 C ATOM 1009 C GLU A 63 -13.231 -3.933 7.514 1.00 0.00 C ATOM 1010 O GLU A 63 -12.854 -4.818 8.281 1.00 0.00 O ATOM 1011 CB GLU A 63 -15.174 -2.860 8.843 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.885 -3.028 10.339 1.00 0.00 C ATOM 1013 CD GLU A 63 -16.010 -2.575 11.267 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -16.776 -1.641 10.931 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -16.061 -3.123 12.393 1.00 0.00 O ATOM 0 H GLU A 63 -14.886 -1.930 6.413 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.115 -2.297 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.834 -2.007 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.695 -3.740 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.671 -4.078 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.983 -2.467 10.585 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.073 -4.000 6.189 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.578 -5.165 5.463 1.00 0.00 C ATOM 1024 C ASP A 64 -11.056 -5.169 5.321 1.00 0.00 C ATOM 1025 O ASP A 64 -10.475 -6.231 5.080 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.168 -5.168 4.045 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.448 -5.979 3.959 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -14.350 -7.215 4.090 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.533 -5.394 3.723 1.00 0.00 O ATOM 0 H ASP A 64 -13.295 -3.216 5.575 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.879 -6.042 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.368 -4.143 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.435 -5.575 3.349 1.00 0.00 H new ATOM 1034 N SER A 65 -10.409 -4.001 5.400 1.00 0.00 N ATOM 1035 CA SER A 65 -8.976 -3.882 5.163 1.00 0.00 C ATOM 1036 C SER A 65 -8.248 -4.215 6.455 1.00 0.00 C ATOM 1037 O SER A 65 -8.462 -3.529 7.461 1.00 0.00 O ATOM 1038 CB SER A 65 -8.601 -2.444 4.767 1.00 0.00 C ATOM 1039 OG SER A 65 -7.938 -2.380 3.518 1.00 0.00 O ATOM 0 H SER A 65 -10.866 -3.119 5.629 1.00 0.00 H new ATOM 0 HA SER A 65 -8.698 -4.560 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.504 -1.835 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.960 -2.014 5.537 1.00 0.00 H new ATOM 0 HG SER A 65 -8.566 -2.613 2.802 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.314 -5.166 6.433 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.486 -5.417 7.615 1.00 0.00 C ATOM 1047 C LYS A 66 -5.319 -4.434 7.723 1.00 0.00 C ATOM 1048 O LYS A 66 -4.240 -4.831 8.168 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.038 -6.890 7.622 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.123 -7.363 6.486 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.241 -8.525 6.930 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.537 -9.206 5.750 1.00 0.00 C ATOM 1053 NZ LYS A 66 -2.229 -8.603 5.482 1.00 0.00 N ATOM 0 H LYS A 66 -7.114 -5.763 5.631 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.083 -5.242 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.527 -7.080 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.933 -7.513 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.728 -7.669 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.497 -6.536 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.494 -8.162 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.849 -9.258 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.412 -10.268 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.162 -9.131 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.717 -9.180 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.360 -7.642 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.680 -8.559 6.364 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.508 -3.157 7.377 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.501 -2.092 7.439 1.00 0.00 C ATOM 1069 C VAL A 67 -5.227 -0.751 7.612 1.00 0.00 C ATOM 1070 O VAL A 67 -6.427 -0.666 7.329 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.587 -2.077 6.182 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.985 -3.451 5.866 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.228 -1.421 4.952 1.00 0.00 C ATOM 0 H VAL A 67 -6.407 -2.822 7.031 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.843 -2.273 8.289 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.754 -1.427 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.357 -3.378 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.383 -3.787 6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.787 -4.167 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.527 -1.450 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.136 -1.961 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.477 -0.385 5.181 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.519 0.306 8.037 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.075 1.635 8.190 1.00 0.00 C ATOM 1085 C PRO A 68 -5.437 2.240 6.842 1.00 0.00 C ATOM 1086 O PRO A 68 -4.590 2.435 5.962 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.055 2.430 9.003 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.736 1.702 8.766 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.167 0.268 8.558 1.00 0.00 C ATOM 0 HA PRO A 68 -6.024 1.634 8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.003 3.467 8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.316 2.447 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.210 2.095 7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.063 1.801 9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.499 -0.239 7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.130 -0.286 9.496 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.729 2.517 6.703 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.347 3.202 5.591 1.00 0.00 C ATOM 1099 C LEU A 69 -7.143 4.690 5.774 1.00 0.00 C ATOM 1100 O LEU A 69 -7.625 5.279 6.747 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.846 2.898 5.564 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.220 1.431 5.389 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.736 1.301 5.388 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.678 0.930 4.066 1.00 0.00 C ATOM 0 H LEU A 69 -7.410 2.249 7.414 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.899 2.869 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.288 3.258 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.299 3.469 4.753 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.798 0.844 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.011 0.254 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.133 1.670 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.151 1.886 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.944 -0.119 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.107 1.515 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.593 1.033 4.055 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.448 5.288 4.819 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.065 6.693 4.801 1.00 0.00 C ATOM 1118 C ILE A 70 -6.649 7.400 3.566 1.00 0.00 C ATOM 1119 O ILE A 70 -7.172 6.742 2.661 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.535 6.808 4.948 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.759 6.545 3.635 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.037 5.896 6.089 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.296 6.995 3.691 1.00 0.00 C ATOM 0 H ILE A 70 -6.120 4.783 3.996 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.494 7.221 5.653 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.325 7.847 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.795 5.480 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.259 7.062 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.955 5.987 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.508 6.195 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.296 4.861 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.813 6.781 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.252 8.066 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.781 6.459 4.488 1.00 0.00 H new ATOM 1135 N THR A 71 -6.570 8.732 3.515 1.00 0.00 N ATOM 1136 CA THR A 71 -6.940 9.476 2.314 1.00 0.00 C ATOM 1137 C THR A 71 -5.750 9.536 1.347 1.00 0.00 C ATOM 1138 O THR A 71 -4.602 9.312 1.736 1.00 0.00 O ATOM 1139 CB THR A 71 -7.336 10.924 2.658 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.320 11.659 3.327 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.599 10.974 3.503 1.00 0.00 C ATOM 0 H THR A 71 -6.254 9.314 4.291 1.00 0.00 H new ATOM 0 HA THR A 71 -7.786 8.961 1.859 1.00 0.00 H new ATOM 0 HB THR A 71 -7.506 11.394 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.207 12.531 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.847 12.012 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.422 10.514 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.435 10.432 4.435 1.00 0.00 H new ATOM 1149 N TYR A 72 -5.986 10.012 0.123 1.00 0.00 N ATOM 1150 CA TYR A 72 -4.923 10.425 -0.786 1.00 0.00 C ATOM 1151 C TYR A 72 -3.980 11.438 -0.136 1.00 0.00 C ATOM 1152 O TYR A 72 -2.772 11.318 -0.282 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.533 11.039 -2.051 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.308 10.098 -2.955 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.711 8.911 -3.408 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.566 10.477 -3.464 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.327 8.144 -4.409 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.194 9.709 -4.464 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.561 8.549 -4.965 1.00 0.00 C ATOM 1160 OH TYR A 72 -8.113 7.849 -6.000 1.00 0.00 O ATOM 0 H TYR A 72 -6.923 10.121 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.343 9.538 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.198 11.848 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.729 11.487 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.772 8.586 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.053 11.363 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.854 7.237 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.159 10.006 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.627 7.093 -5.646 1.00 0.00 H new ATOM 1170 N SER A 73 -4.496 12.430 0.591 1.00 0.00 N ATOM 1171 CA SER A 73 -3.632 13.469 1.138 1.00 0.00 C ATOM 1172 C SER A 73 -2.710 12.948 2.245 1.00 0.00 C ATOM 1173 O SER A 73 -1.567 13.387 2.370 1.00 0.00 O ATOM 1174 CB SER A 73 -4.498 14.633 1.591 1.00 0.00 C ATOM 1175 OG SER A 73 -5.402 14.328 2.650 1.00 0.00 O ATOM 0 H SER A 73 -5.487 12.533 0.810 1.00 0.00 H new ATOM 0 HA SER A 73 -2.954 13.816 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.849 15.448 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.070 14.996 0.737 1.00 0.00 H new ATOM 0 HG SER A 73 -5.918 15.129 2.881 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.199 11.989 3.027 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.426 11.297 4.043 1.00 0.00 C ATOM 1183 C GLU A 74 -1.326 10.460 3.396 1.00 0.00 C ATOM 1184 O GLU A 74 -0.308 10.219 4.037 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.369 10.394 4.845 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.183 11.167 5.886 1.00 0.00 C ATOM 1187 CD GLU A 74 -3.575 10.981 7.271 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -2.392 11.331 7.491 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -4.254 10.426 8.162 1.00 0.00 O ATOM 0 H GLU A 74 -4.165 11.668 2.967 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.956 12.025 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.049 9.887 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.786 9.621 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.204 12.226 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.216 10.818 5.884 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.531 10.000 2.160 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.522 9.312 1.379 1.00 0.00 C ATOM 1198 C PHE A 75 0.512 10.319 0.890 1.00 0.00 C ATOM 1199 O PHE A 75 1.696 10.033 1.044 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.194 8.542 0.232 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.348 8.307 -1.005 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.927 7.718 -0.902 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.842 8.678 -2.270 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.667 7.422 -2.053 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.074 8.436 -3.420 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.168 7.788 -3.310 1.00 0.00 C ATOM 0 H PHE A 75 -2.421 10.101 1.673 1.00 0.00 H new ATOM 0 HA PHE A 75 0.004 8.579 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.519 7.574 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.091 9.085 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.337 7.493 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.811 9.148 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.617 6.915 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.437 8.748 -4.388 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.741 7.571 -4.199 1.00 0.00 H new ATOM 1216 N ILE A 76 0.101 11.480 0.357 1.00 0.00 N ATOM 1217 CA ILE A 76 1.057 12.476 -0.124 1.00 0.00 C ATOM 1218 C ILE A 76 2.039 12.841 0.990 1.00 0.00 C ATOM 1219 O ILE A 76 3.226 12.932 0.710 1.00 0.00 O ATOM 1220 CB ILE A 76 0.387 13.733 -0.727 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.588 13.443 -1.892 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.481 14.704 -1.217 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.075 12.507 -2.996 1.00 0.00 C ATOM 0 H ILE A 76 -0.878 11.746 0.251 1.00 0.00 H new ATOM 0 HA ILE A 76 1.606 12.019 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.214 14.168 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.499 13.013 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.864 14.393 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.015 15.592 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.113 14.993 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.089 14.213 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.848 12.381 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.816 12.938 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.171 11.537 -2.565 1.00 0.00 H new ATOM 1235 N ASP A 77 1.593 12.967 2.244 1.00 0.00 N ATOM 1236 CA ASP A 77 2.470 13.275 3.382 1.00 0.00 C ATOM 1237 C ASP A 77 3.675 12.345 3.466 1.00 0.00 C ATOM 1238 O ASP A 77 4.782 12.760 3.825 1.00 0.00 O ATOM 1239 CB ASP A 77 1.657 13.171 4.667 1.00 0.00 C ATOM 1240 CG ASP A 77 2.500 13.310 5.949 1.00 0.00 C ATOM 1241 OD1 ASP A 77 3.281 12.396 6.313 1.00 0.00 O ATOM 1242 OD2 ASP A 77 2.293 14.318 6.660 1.00 0.00 O ATOM 0 H ASP A 77 0.612 12.858 2.501 1.00 0.00 H new ATOM 0 HA ASP A 77 2.856 14.284 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.888 13.944 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.143 12.210 4.684 1.00 0.00 H new ATOM 1247 N LEU A 78 3.461 11.078 3.123 1.00 0.00 N ATOM 1248 CA LEU A 78 4.475 10.044 3.184 1.00 0.00 C ATOM 1249 C LEU A 78 5.535 10.256 2.099 1.00 0.00 C ATOM 1250 O LEU A 78 6.648 9.760 2.237 1.00 0.00 O ATOM 1251 CB LEU A 78 3.811 8.659 3.069 1.00 0.00 C ATOM 1252 CG LEU A 78 2.708 8.409 4.117 1.00 0.00 C ATOM 1253 CD1 LEU A 78 2.025 7.074 3.838 1.00 0.00 C ATOM 1254 CD2 LEU A 78 3.235 8.423 5.554 1.00 0.00 C ATOM 0 H LEU A 78 2.558 10.740 2.789 1.00 0.00 H new ATOM 0 HA LEU A 78 4.986 10.099 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.383 8.553 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.577 7.890 3.170 1.00 0.00 H new ATOM 0 HG LEU A 78 1.995 9.229 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.246 6.901 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.580 7.094 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.760 6.271 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.412 8.241 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.988 7.644 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.681 9.394 5.768 1.00 0.00 H new ATOM 1266 N LEU A 79 5.199 10.994 1.037 1.00 0.00 N ATOM 1267 CA LEU A 79 6.059 11.367 -0.082 1.00 0.00 C ATOM 1268 C LEU A 79 6.838 12.646 0.188 1.00 0.00 C ATOM 1269 O LEU A 79 7.697 13.020 -0.606 1.00 0.00 O ATOM 1270 CB LEU A 79 5.240 11.639 -1.346 1.00 0.00 C ATOM 1271 CG LEU A 79 4.172 10.594 -1.672 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.453 11.057 -2.933 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.813 9.218 -1.845 1.00 0.00 C ATOM 0 H LEU A 79 4.256 11.370 0.933 1.00 0.00 H new ATOM 0 HA LEU A 79 6.736 10.523 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.755 12.610 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.923 11.712 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 79 3.451 10.497 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.681 10.334 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.994 12.029 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.169 11.139 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.041 8.484 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.536 9.253 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.319 8.934 -0.922 1.00 0.00 H new ATOM 1285 N GLU A 80 6.506 13.382 1.240 1.00 0.00 N ATOM 1286 CA GLU A 80 7.115 14.682 1.502 1.00 0.00 C ATOM 1287 C GLU A 80 8.554 14.481 2.014 1.00 0.00 C ATOM 1288 O GLU A 80 8.830 14.608 3.210 1.00 0.00 O ATOM 1289 CB GLU A 80 6.252 15.531 2.449 1.00 0.00 C ATOM 1290 CG GLU A 80 4.840 15.751 1.891 1.00 0.00 C ATOM 1291 CD GLU A 80 4.726 16.708 0.686 1.00 0.00 C ATOM 1292 OE1 GLU A 80 5.743 17.174 0.123 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.576 17.005 0.297 1.00 0.00 O ATOM 0 H GLU A 80 5.812 13.099 1.932 1.00 0.00 H new ATOM 0 HA GLU A 80 7.169 15.249 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.187 15.039 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.733 16.496 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.432 14.783 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.210 16.134 2.694 1.00 0.00 H new ATOM 1300 N GLY A 81 9.479 14.114 1.126 1.00 0.00 N ATOM 1301 CA GLY A 81 10.837 13.688 1.438 1.00 0.00 C ATOM 1302 C GLY A 81 11.199 12.319 0.854 1.00 0.00 C ATOM 1303 O GLY A 81 12.349 11.903 1.016 1.00 0.00 O ATOM 0 H GLY A 81 9.289 14.107 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.538 14.432 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.959 13.656 2.521 1.00 0.00 H new ATOM 1307 N GLU A 82 10.280 11.608 0.190 1.00 0.00 N ATOM 1308 CA GLU A 82 10.455 10.238 -0.279 1.00 0.00 C ATOM 1309 C GLU A 82 9.681 10.103 -1.583 1.00 0.00 C ATOM 1310 O GLU A 82 8.786 10.894 -1.865 1.00 0.00 O ATOM 1311 CB GLU A 82 9.880 9.218 0.726 1.00 0.00 C ATOM 1312 CG GLU A 82 10.630 9.112 2.061 1.00 0.00 C ATOM 1313 CD GLU A 82 11.951 8.347 1.962 1.00 0.00 C ATOM 1314 OE1 GLU A 82 12.474 8.146 0.842 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.431 7.896 3.027 1.00 0.00 O ATOM 0 H GLU A 82 9.363 11.989 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 82 11.519 10.036 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.843 9.482 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.871 8.235 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.828 10.116 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.988 8.619 2.791 1.00 0.00 H new ATOM 1322 N GLU A 83 9.977 9.082 -2.379 1.00 0.00 N ATOM 1323 CA GLU A 83 9.176 8.779 -3.558 1.00 0.00 C ATOM 1324 C GLU A 83 9.540 7.386 -4.073 1.00 0.00 C ATOM 1325 O GLU A 83 9.922 7.212 -5.233 1.00 0.00 O ATOM 1326 CB GLU A 83 9.303 9.861 -4.652 1.00 0.00 C ATOM 1327 CG GLU A 83 10.740 10.361 -4.804 1.00 0.00 C ATOM 1328 CD GLU A 83 11.020 10.866 -6.215 1.00 0.00 C ATOM 1329 OE1 GLU A 83 10.412 11.872 -6.637 1.00 0.00 O ATOM 1330 OE2 GLU A 83 11.831 10.219 -6.928 1.00 0.00 O ATOM 0 H GLU A 83 10.765 8.451 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 83 8.124 8.782 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.958 9.456 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.652 10.700 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.923 11.163 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.432 9.554 -4.563 1.00 0.00 H new ATOM 1337 N LYS A 84 9.482 6.371 -3.203 1.00 0.00 N ATOM 1338 CA LYS A 84 9.901 5.017 -3.559 1.00 0.00 C ATOM 1339 C LYS A 84 8.770 4.008 -3.363 1.00 0.00 C ATOM 1340 O LYS A 84 9.021 2.852 -3.028 1.00 0.00 O ATOM 1341 CB LYS A 84 11.179 4.684 -2.740 1.00 0.00 C ATOM 1342 CG LYS A 84 12.389 4.419 -3.651 1.00 0.00 C ATOM 1343 CD LYS A 84 13.392 5.582 -3.698 1.00 0.00 C ATOM 1344 CE LYS A 84 12.739 6.874 -4.198 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.633 8.036 -4.070 1.00 0.00 N ATOM 0 H LYS A 84 9.147 6.466 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 84 10.142 4.956 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.405 5.511 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.994 3.808 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.903 3.521 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.034 4.215 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.807 5.745 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.224 5.319 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.451 6.753 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.824 7.058 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.417 8.724 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.493 8.481 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.621 7.725 -4.160 1.00 0.00 H new ATOM 1359 N PHE A 85 7.531 4.395 -3.669 1.00 0.00 N ATOM 1360 CA PHE A 85 6.364 3.521 -3.506 1.00 0.00 C ATOM 1361 C PHE A 85 5.075 4.154 -4.014 1.00 0.00 C ATOM 1362 O PHE A 85 3.993 3.989 -3.452 1.00 0.00 O ATOM 1363 CB PHE A 85 6.204 3.126 -2.018 1.00 0.00 C ATOM 1364 CG PHE A 85 6.143 4.326 -1.069 1.00 0.00 C ATOM 1365 CD1 PHE A 85 7.327 4.917 -0.580 1.00 0.00 C ATOM 1366 CD2 PHE A 85 4.904 4.888 -0.704 1.00 0.00 C ATOM 1367 CE1 PHE A 85 7.274 6.079 0.206 1.00 0.00 C ATOM 1368 CE2 PHE A 85 4.850 6.037 0.103 1.00 0.00 C ATOM 1369 CZ PHE A 85 6.036 6.639 0.552 1.00 0.00 C ATOM 0 H PHE A 85 7.306 5.320 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 85 6.545 2.634 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.295 2.536 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.038 2.486 -1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.283 4.471 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.987 4.432 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.189 6.543 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.894 6.458 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.995 7.530 1.161 1.00 0.00 H new ATOM 1379 N ILE A 86 5.187 4.856 -5.129 1.00 0.00 N ATOM 1380 CA ILE A 86 4.066 5.593 -5.684 1.00 0.00 C ATOM 1381 C ILE A 86 3.201 4.646 -6.531 1.00 0.00 C ATOM 1382 O ILE A 86 3.469 3.444 -6.598 1.00 0.00 O ATOM 1383 CB ILE A 86 4.591 6.813 -6.462 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.002 7.311 -6.070 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.626 7.983 -6.274 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.161 7.725 -4.599 1.00 0.00 C ATOM 0 H ILE A 86 6.049 4.931 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 86 3.422 5.981 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 86 4.662 6.468 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.723 6.523 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.258 8.162 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.994 8.850 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.641 7.706 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.554 8.229 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.184 8.059 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.470 8.537 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.942 6.873 -3.955 1.00 0.00 H new ATOM 1398 N GLY A 87 2.205 5.162 -7.244 1.00 0.00 N ATOM 1399 CA GLY A 87 1.524 4.433 -8.280 1.00 0.00 C ATOM 1400 C GLY A 87 0.350 5.193 -8.836 1.00 0.00 C ATOM 1401 O GLY A 87 0.326 6.443 -8.781 1.00 0.00 O ATOM 0 H GLY A 87 1.853 6.110 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.224 4.211 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.181 3.478 -7.883 1.00 0.00 H new