USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 73:sc= 0.473 USER MOD Single : A 15 MET CE :methyl -167:sc= -0.338 (180deg=-1.04) USER MOD Single : A 18 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.11) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.644 F(o=-1.9,f=-0.64) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -114:sc=-0.000648 (180deg=-1.63) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.644 USER MOD Single : A 28 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.3!) USER MOD Single : A 31 TYR OH : rot -21:sc= -0.415 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 35 MET CE :methyl -169:sc= -0.0132 (180deg=-0.198) USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00343 USER MOD Single : A 44 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 ASN : amide:sc= -0.0115 K(o=-0.011,f=-1.7!) USER MOD Single : A 51 SER OG : rot 146:sc= -0.0572 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 55 ASN : amide:sc= -7.46! C(o=-7.5!,f=-14!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.8!) USER MOD Single : A 61 CYS SG : rot 60:sc= -0.858 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.294 13.277 0.703 1.00 0.59 N ATOM 78 CA PRO A 5 -11.178 13.742 1.577 1.00 0.58 C ATOM 79 C PRO A 5 -9.993 14.277 0.756 1.00 0.56 C ATOM 80 O PRO A 5 -9.816 13.909 -0.388 1.00 0.67 O ATOM 81 CB PRO A 5 -10.784 12.477 2.341 1.00 0.62 C ATOM 82 CG PRO A 5 -12.057 11.708 2.471 1.00 0.73 C ATOM 83 CD PRO A 5 -12.861 12.005 1.199 1.00 0.58 C ATOM 0 HA PRO A 5 -11.471 14.568 2.225 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.029 11.906 1.801 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.364 12.718 3.318 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -11.860 10.640 2.568 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.608 12.012 3.361 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.754 11.207 0.464 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.926 12.100 1.413 1.00 0.58 H new ATOM 91 N PRO A 6 -9.188 15.135 1.328 1.00 0.55 N ATOM 92 CA PRO A 6 -8.008 15.718 0.623 1.00 0.57 C ATOM 93 C PRO A 6 -6.872 14.701 0.462 1.00 0.51 C ATOM 94 O PRO A 6 -5.821 15.010 -0.064 1.00 0.70 O ATOM 95 CB PRO A 6 -7.583 16.873 1.537 1.00 0.67 C ATOM 96 CG PRO A 6 -8.013 16.448 2.902 1.00 0.84 C ATOM 97 CD PRO A 6 -9.303 15.648 2.705 1.00 0.68 C ATOM 0 HA PRO A 6 -8.248 16.034 -0.392 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.506 17.038 1.494 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.061 17.808 1.244 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.246 15.840 3.382 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.183 17.312 3.545 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.386 14.837 3.429 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.186 16.275 2.826 1.00 0.68 H new ATOM 105 N TYR A 7 -7.072 13.494 0.915 1.00 0.42 N ATOM 106 CA TYR A 7 -6.002 12.465 0.793 1.00 0.36 C ATOM 107 C TYR A 7 -6.022 11.874 -0.616 1.00 0.34 C ATOM 108 O TYR A 7 -7.059 11.509 -1.132 1.00 0.36 O ATOM 109 CB TYR A 7 -6.253 11.348 1.808 1.00 0.34 C ATOM 110 CG TYR A 7 -6.443 11.952 3.181 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.391 12.643 3.794 1.00 1.12 C ATOM 112 CD2 TYR A 7 -7.673 11.827 3.840 1.00 1.10 C ATOM 113 CE1 TYR A 7 -5.569 13.208 5.064 1.00 1.15 C ATOM 114 CE2 TYR A 7 -7.852 12.391 5.107 1.00 1.11 C ATOM 115 CZ TYR A 7 -6.801 13.083 5.720 1.00 0.47 C ATOM 116 OH TYR A 7 -6.979 13.638 6.971 1.00 0.54 O ATOM 0 H TYR A 7 -7.931 13.176 1.365 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.033 12.926 0.984 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.136 10.776 1.525 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.413 10.654 1.817 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.442 12.741 3.288 1.00 1.12 H new ATOM 0 HD2 TYR A 7 -8.485 11.294 3.368 1.00 1.10 H new ATOM 0 HE1 TYR A 7 -4.757 13.740 5.537 1.00 1.15 H new ATOM 0 HE2 TYR A 7 -8.801 12.293 5.613 1.00 1.11 H new ATOM 0 HH TYR A 7 -7.891 13.460 7.281 1.00 0.54 H new ATOM 126 N SER A 8 -4.882 11.764 -1.239 1.00 0.35 N ATOM 127 CA SER A 8 -4.840 11.181 -2.608 1.00 0.38 C ATOM 128 C SER A 8 -5.162 9.689 -2.512 1.00 0.32 C ATOM 129 O SER A 8 -5.184 9.121 -1.437 1.00 0.30 O ATOM 130 CB SER A 8 -3.445 11.373 -3.207 1.00 0.46 C ATOM 131 OG SER A 8 -3.238 12.750 -3.487 1.00 1.39 O ATOM 0 H SER A 8 -3.980 12.052 -0.860 1.00 0.35 H new ATOM 0 HA SER A 8 -5.569 11.678 -3.248 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.686 11.014 -2.512 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.345 10.786 -4.120 1.00 0.46 H new ATOM 0 HG SER A 8 -2.344 12.875 -3.869 1.00 1.39 H new ATOM 137 N TYR A 9 -5.426 9.048 -3.616 1.00 0.34 N ATOM 138 CA TYR A 9 -5.754 7.595 -3.565 1.00 0.34 C ATOM 139 C TYR A 9 -4.573 6.838 -2.956 1.00 0.35 C ATOM 140 O TYR A 9 -4.741 5.914 -2.185 1.00 0.36 O ATOM 141 CB TYR A 9 -6.001 7.070 -4.983 1.00 0.39 C ATOM 142 CG TYR A 9 -7.323 7.583 -5.508 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.524 7.015 -5.064 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.347 8.618 -6.452 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.747 7.484 -5.561 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.570 9.085 -6.951 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.769 8.518 -6.505 1.00 0.44 C ATOM 148 OH TYR A 9 -10.975 8.977 -6.998 1.00 0.50 O ATOM 0 H TYR A 9 -5.429 9.464 -4.547 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.649 7.447 -2.960 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.192 7.387 -5.642 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.001 5.980 -4.980 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.507 6.215 -4.338 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.422 9.056 -6.795 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.673 7.048 -5.216 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.587 9.882 -7.679 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.812 9.697 -7.643 1.00 0.50 H new ATOM 158 N ILE A 10 -3.378 7.220 -3.310 1.00 0.38 N ATOM 159 CA ILE A 10 -2.172 6.530 -2.774 1.00 0.42 C ATOM 160 C ILE A 10 -2.057 6.761 -1.262 1.00 0.38 C ATOM 161 O ILE A 10 -1.720 5.865 -0.513 1.00 0.39 O ATOM 162 CB ILE A 10 -0.935 7.088 -3.487 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.957 6.636 -4.948 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.338 6.570 -2.815 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.120 7.382 -5.738 1.00 0.96 C ATOM 0 H ILE A 10 -3.184 7.987 -3.953 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.251 5.457 -2.950 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.947 8.177 -3.432 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.786 5.561 -5.008 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.938 6.828 -5.383 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.211 6.973 -3.329 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.354 6.887 -1.772 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.358 5.481 -2.864 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.100 7.056 -6.778 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.071 8.454 -5.690 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.099 7.168 -5.310 1.00 0.96 H new ATOM 177 N ALA A 11 -2.326 7.954 -0.808 1.00 0.36 N ATOM 178 CA ALA A 11 -2.221 8.246 0.652 1.00 0.36 C ATOM 179 C ALA A 11 -3.245 7.420 1.435 1.00 0.32 C ATOM 180 O ALA A 11 -2.964 6.929 2.511 1.00 0.32 O ATOM 181 CB ALA A 11 -2.480 9.735 0.893 1.00 0.38 C ATOM 0 H ALA A 11 -2.615 8.743 -1.386 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.219 7.984 0.993 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.404 9.950 1.959 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.742 10.325 0.350 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.479 9.992 0.542 1.00 0.38 H new ATOM 187 N LEU A 12 -4.433 7.272 0.918 1.00 0.32 N ATOM 188 CA LEU A 12 -5.468 6.487 1.650 1.00 0.31 C ATOM 189 C LEU A 12 -4.961 5.060 1.854 1.00 0.30 C ATOM 190 O LEU A 12 -5.141 4.469 2.900 1.00 0.32 O ATOM 191 CB LEU A 12 -6.761 6.463 0.832 1.00 0.33 C ATOM 192 CG LEU A 12 -7.393 7.864 0.800 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.536 7.876 -0.220 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.938 8.242 2.189 1.00 0.36 C ATOM 0 H LEU A 12 -4.732 7.659 0.023 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.665 6.946 2.619 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.552 6.127 -0.184 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.462 5.750 1.266 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.632 8.591 0.516 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.989 8.867 -0.248 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.146 7.628 -1.207 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.288 7.142 0.068 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.382 9.237 2.147 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.696 7.519 2.492 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.123 8.238 2.913 1.00 0.36 H new ATOM 206 N ILE A 13 -4.317 4.505 0.867 1.00 0.31 N ATOM 207 CA ILE A 13 -3.785 3.124 1.007 1.00 0.32 C ATOM 208 C ILE A 13 -2.618 3.127 1.997 1.00 0.29 C ATOM 209 O ILE A 13 -2.462 2.223 2.791 1.00 0.30 O ATOM 210 CB ILE A 13 -3.282 2.638 -0.349 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.437 2.634 -1.353 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.723 1.220 -0.209 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.884 2.402 -2.759 1.00 0.49 C ATOM 0 H ILE A 13 -4.136 4.950 -0.033 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.575 2.465 1.368 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.496 3.305 -0.703 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.153 1.853 -1.098 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.972 3.583 -1.312 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.364 0.873 -1.178 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.898 1.223 0.504 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.508 0.553 0.147 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.704 2.399 -3.477 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.185 3.199 -3.011 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.368 1.442 -2.793 1.00 0.49 H new ATOM 225 N THR A 14 -1.784 4.129 1.939 1.00 0.29 N ATOM 226 CA THR A 14 -0.614 4.180 2.859 1.00 0.31 C ATOM 227 C THR A 14 -1.100 4.300 4.308 1.00 0.32 C ATOM 228 O THR A 14 -0.565 3.677 5.203 1.00 0.34 O ATOM 229 CB THR A 14 0.255 5.389 2.507 1.00 0.35 C ATOM 230 OG1 THR A 14 0.695 5.272 1.161 1.00 0.37 O ATOM 231 CG2 THR A 14 1.475 5.442 3.428 1.00 0.39 C ATOM 0 H THR A 14 -1.863 4.915 1.294 1.00 0.29 H new ATOM 0 HA THR A 14 -0.029 3.267 2.752 1.00 0.31 H new ATOM 0 HB THR A 14 -0.331 6.300 2.632 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.054 5.454 0.555 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.088 6.306 3.170 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.146 5.527 4.464 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.062 4.531 3.307 1.00 0.39 H new ATOM 239 N MET A 15 -2.107 5.094 4.547 1.00 0.33 N ATOM 240 CA MET A 15 -2.620 5.246 5.939 1.00 0.37 C ATOM 241 C MET A 15 -3.313 3.953 6.371 1.00 0.34 C ATOM 242 O MET A 15 -3.235 3.544 7.513 1.00 0.36 O ATOM 243 CB MET A 15 -3.611 6.409 6.017 1.00 0.44 C ATOM 244 CG MET A 15 -2.864 7.734 5.845 1.00 0.49 C ATOM 245 SD MET A 15 -3.976 9.111 6.228 1.00 0.67 S ATOM 246 CE MET A 15 -5.166 8.831 4.898 1.00 1.14 C ATOM 0 H MET A 15 -2.596 5.643 3.841 1.00 0.33 H new ATOM 0 HA MET A 15 -1.781 5.453 6.604 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.371 6.305 5.242 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.130 6.394 6.976 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.995 7.761 6.502 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.494 7.825 4.824 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.816 9.701 4.802 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.633 8.671 3.961 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.768 7.952 5.128 1.00 1.14 H new ATOM 256 N ALA A 16 -3.997 3.314 5.465 1.00 0.32 N ATOM 257 CA ALA A 16 -4.708 2.052 5.810 1.00 0.31 C ATOM 258 C ALA A 16 -3.701 1.034 6.350 1.00 0.29 C ATOM 259 O ALA A 16 -3.924 0.406 7.366 1.00 0.31 O ATOM 260 CB ALA A 16 -5.377 1.499 4.547 1.00 0.31 C ATOM 0 H ALA A 16 -4.095 3.613 4.495 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.464 2.245 6.571 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.901 0.574 4.788 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.089 2.230 4.163 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.618 1.299 3.791 1.00 0.31 H new ATOM 266 N ILE A 17 -2.593 0.873 5.683 1.00 0.27 N ATOM 267 CA ILE A 17 -1.568 -0.100 6.160 1.00 0.28 C ATOM 268 C ILE A 17 -1.110 0.311 7.557 1.00 0.30 C ATOM 269 O ILE A 17 -1.070 -0.481 8.477 1.00 0.33 O ATOM 270 CB ILE A 17 -0.371 -0.056 5.210 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.842 -0.435 3.808 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.694 -1.053 5.677 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.263 -0.138 2.793 1.00 0.32 C ATOM 0 H ILE A 17 -2.351 1.373 4.827 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.987 -1.106 6.188 1.00 0.28 H new ATOM 0 HB ILE A 17 0.057 0.946 5.201 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.104 -1.493 3.776 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.742 0.124 3.553 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.546 -1.020 4.998 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.021 -0.791 6.683 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.274 -2.059 5.682 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.078 -0.410 1.794 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.503 0.925 2.817 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.152 -0.717 3.043 1.00 0.32 H new ATOM 285 N GLN A 18 -0.759 1.557 7.707 1.00 0.32 N ATOM 286 CA GLN A 18 -0.289 2.059 9.030 1.00 0.36 C ATOM 287 C GLN A 18 -1.404 1.912 10.073 1.00 0.36 C ATOM 288 O GLN A 18 -1.161 1.565 11.212 1.00 0.38 O ATOM 289 CB GLN A 18 0.082 3.537 8.895 1.00 0.44 C ATOM 290 CG GLN A 18 1.325 3.675 8.015 1.00 0.51 C ATOM 291 CD GLN A 18 2.549 3.152 8.766 1.00 1.09 C ATOM 292 OE1 GLN A 18 3.286 2.332 8.256 1.00 1.76 O ATOM 293 NE2 GLN A 18 2.802 3.601 9.964 1.00 1.82 N ATOM 0 H GLN A 18 -0.777 2.256 6.964 1.00 0.32 H new ATOM 0 HA GLN A 18 0.578 1.481 9.350 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.748 4.092 8.459 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.271 3.966 9.879 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.190 3.118 7.088 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.474 4.719 7.740 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.183 4.290 10.392 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.619 3.264 10.473 1.00 1.82 H new ATOM 302 N ASN A 19 -2.623 2.188 9.693 1.00 0.37 N ATOM 303 CA ASN A 19 -3.754 2.081 10.659 1.00 0.42 C ATOM 304 C ASN A 19 -4.189 0.621 10.811 1.00 0.43 C ATOM 305 O ASN A 19 -4.977 0.289 11.674 1.00 0.58 O ATOM 306 CB ASN A 19 -4.934 2.909 10.145 1.00 0.51 C ATOM 307 CG ASN A 19 -4.567 4.394 10.175 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.563 5.076 9.062 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -4.279 4.939 11.222 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.884 2.484 8.752 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.428 2.455 11.630 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.189 2.607 9.129 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.815 2.729 10.762 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -4.282 4.406 12.092 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.034 5.929 11.231 1.00 1.28 H new ATOM 316 N ALA A 20 -3.695 -0.252 9.978 1.00 0.39 N ATOM 317 CA ALA A 20 -4.098 -1.684 10.080 1.00 0.47 C ATOM 318 C ALA A 20 -3.324 -2.354 11.226 1.00 0.53 C ATOM 319 O ALA A 20 -2.118 -2.223 11.298 1.00 0.63 O ATOM 320 CB ALA A 20 -3.757 -2.396 8.769 1.00 0.49 C ATOM 0 H ALA A 20 -3.032 -0.038 9.233 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.169 -1.747 10.273 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -4.049 -3.444 8.837 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.294 -1.922 7.947 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.684 -2.330 8.587 1.00 0.49 H new ATOM 326 N PRO A 21 -3.975 -3.077 12.111 1.00 0.71 N ATOM 327 CA PRO A 21 -3.265 -3.760 13.230 1.00 0.87 C ATOM 328 C PRO A 21 -1.976 -4.421 12.736 1.00 0.80 C ATOM 329 O PRO A 21 -0.955 -4.399 13.396 1.00 1.04 O ATOM 330 CB PRO A 21 -4.274 -4.808 13.708 1.00 1.10 C ATOM 331 CG PRO A 21 -5.614 -4.215 13.405 1.00 1.29 C ATOM 332 CD PRO A 21 -5.429 -3.333 12.162 1.00 0.94 C ATOM 0 HA PRO A 21 -2.960 -3.075 14.022 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -4.135 -5.757 13.189 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.162 -5.008 14.774 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -6.351 -4.996 13.220 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.977 -3.627 14.248 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.776 -3.838 11.260 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.994 -2.405 12.245 1.00 0.94 H new ATOM 340 N GLU A 22 -2.029 -4.995 11.562 1.00 0.72 N ATOM 341 CA GLU A 22 -0.831 -5.657 10.965 1.00 0.83 C ATOM 342 C GLU A 22 -0.511 -4.959 9.640 1.00 0.80 C ATOM 343 O GLU A 22 -1.391 -4.689 8.847 1.00 1.16 O ATOM 344 CB GLU A 22 -1.149 -7.130 10.703 1.00 0.98 C ATOM 345 CG GLU A 22 -1.418 -7.839 12.032 1.00 1.51 C ATOM 346 CD GLU A 22 -0.122 -7.916 12.841 1.00 2.01 C ATOM 347 OE1 GLU A 22 0.823 -8.510 12.350 1.00 2.51 O ATOM 348 OE2 GLU A 22 -0.098 -7.379 13.936 1.00 2.63 O ATOM 0 H GLU A 22 -2.867 -5.033 10.982 1.00 0.72 H new ATOM 0 HA GLU A 22 0.021 -5.589 11.642 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -2.018 -7.215 10.051 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.316 -7.607 10.187 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.180 -7.301 12.596 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.805 -8.841 11.850 1.00 1.51 H new ATOM 355 N LYS A 23 0.732 -4.652 9.395 1.00 0.66 N ATOM 356 CA LYS A 23 1.085 -3.961 8.121 1.00 0.68 C ATOM 357 C LYS A 23 0.680 -4.826 6.926 1.00 0.56 C ATOM 358 O LYS A 23 0.283 -4.321 5.895 1.00 0.59 O ATOM 359 CB LYS A 23 2.586 -3.674 8.075 1.00 0.84 C ATOM 360 CG LYS A 23 2.926 -2.585 9.098 1.00 0.96 C ATOM 361 CD LYS A 23 4.374 -2.136 8.906 1.00 0.79 C ATOM 362 CE LYS A 23 4.777 -1.206 10.052 1.00 1.23 C ATOM 363 NZ LYS A 23 6.222 -0.864 9.931 1.00 2.02 N ATOM 0 H LYS A 23 1.516 -4.848 10.017 1.00 0.66 H new ATOM 0 HA LYS A 23 0.545 -3.015 8.073 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.148 -4.582 8.293 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.876 -3.352 7.075 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.253 -1.736 8.978 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.783 -2.965 10.110 1.00 0.96 H new ATOM 0 HD2 LYS A 23 5.034 -3.003 8.878 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.483 -1.622 7.951 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.174 -0.298 10.027 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.586 -1.689 11.010 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.496 -0.232 10.710 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.790 -1.734 9.976 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.391 -0.387 9.023 1.00 2.02 H new ATOM 377 N LYS A 24 0.770 -6.122 7.043 1.00 0.49 N ATOM 378 CA LYS A 24 0.379 -6.985 5.893 1.00 0.43 C ATOM 379 C LYS A 24 -1.148 -7.065 5.850 1.00 0.44 C ATOM 380 O LYS A 24 -1.778 -7.599 6.742 1.00 0.75 O ATOM 381 CB LYS A 24 0.968 -8.387 6.080 1.00 0.41 C ATOM 382 CG LYS A 24 2.496 -8.294 6.117 1.00 0.45 C ATOM 383 CD LYS A 24 3.093 -9.690 6.304 1.00 0.50 C ATOM 384 CE LYS A 24 4.620 -9.589 6.346 1.00 0.59 C ATOM 385 NZ LYS A 24 5.145 -9.310 4.979 1.00 1.55 N ATOM 0 H LYS A 24 1.093 -6.616 7.875 1.00 0.49 H new ATOM 0 HA LYS A 24 0.758 -6.567 4.960 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.597 -8.829 7.004 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.652 -9.038 5.265 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.865 -7.851 5.192 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.811 -7.641 6.931 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.722 -10.136 7.227 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.783 -10.342 5.488 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.923 -8.797 7.031 1.00 0.59 H new ATOM 0 HE3 LYS A 24 5.045 -10.518 6.726 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.702 -10.124 4.648 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.350 -9.147 4.328 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 5.750 -8.464 5.005 1.00 1.55 H new ATOM 399 N ILE A 25 -1.744 -6.519 4.819 1.00 0.35 N ATOM 400 CA ILE A 25 -3.234 -6.529 4.695 1.00 0.34 C ATOM 401 C ILE A 25 -3.626 -7.040 3.308 1.00 0.31 C ATOM 402 O ILE A 25 -2.834 -7.042 2.387 1.00 0.33 O ATOM 403 CB ILE A 25 -3.757 -5.102 4.885 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.280 -5.091 4.737 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.138 -4.184 3.829 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.828 -3.741 5.201 1.00 0.47 C ATOM 0 H ILE A 25 -1.255 -6.062 4.049 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.666 -7.183 5.453 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.485 -4.748 5.879 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.556 -5.270 3.698 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.719 -5.896 5.327 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.511 -3.169 3.965 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.053 -4.189 3.934 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.408 -4.539 2.835 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.913 -3.733 5.096 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.564 -3.581 6.246 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.399 -2.945 4.592 1.00 0.47 H new ATOM 418 N THR A 26 -4.843 -7.490 3.160 1.00 0.30 N ATOM 419 CA THR A 26 -5.295 -8.026 1.842 1.00 0.31 C ATOM 420 C THR A 26 -5.905 -6.913 0.985 1.00 0.28 C ATOM 421 O THR A 26 -6.224 -5.840 1.458 1.00 0.27 O ATOM 422 CB THR A 26 -6.351 -9.108 2.079 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.551 -8.501 2.536 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.846 -10.093 3.137 1.00 0.81 C ATOM 0 H THR A 26 -5.547 -7.510 3.898 1.00 0.30 H new ATOM 0 HA THR A 26 -4.434 -8.441 1.318 1.00 0.31 H new ATOM 0 HB THR A 26 -6.541 -9.641 1.148 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.230 -9.191 2.687 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.598 -10.863 3.305 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.923 -10.557 2.791 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.657 -9.561 4.069 1.00 0.81 H new ATOM 432 N LEU A 27 -6.072 -7.184 -0.279 1.00 0.31 N ATOM 433 CA LEU A 27 -6.667 -6.186 -1.214 1.00 0.34 C ATOM 434 C LEU A 27 -8.078 -5.839 -0.727 1.00 0.30 C ATOM 435 O LEU A 27 -8.451 -4.687 -0.594 1.00 0.31 O ATOM 436 CB LEU A 27 -6.752 -6.851 -2.591 1.00 0.44 C ATOM 437 CG LEU A 27 -7.138 -5.838 -3.680 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.912 -4.990 -4.090 1.00 0.70 C ATOM 439 CD2 LEU A 27 -7.692 -6.611 -4.891 1.00 0.68 C ATOM 0 H LEU A 27 -5.817 -8.071 -0.712 1.00 0.31 H new ATOM 0 HA LEU A 27 -6.068 -5.276 -1.261 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.792 -7.304 -2.838 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.487 -7.656 -2.563 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.899 -5.157 -3.299 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.204 -4.278 -4.862 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.536 -4.449 -3.221 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.130 -5.644 -4.476 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.972 -5.907 -5.675 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -6.928 -7.291 -5.269 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -8.569 -7.183 -4.587 1.00 0.68 H new ATOM 451 N ASN A 28 -8.859 -6.849 -0.464 1.00 0.30 N ATOM 452 CA ASN A 28 -10.256 -6.641 0.012 1.00 0.31 C ATOM 453 C ASN A 28 -10.253 -5.911 1.358 1.00 0.29 C ATOM 454 O ASN A 28 -11.081 -5.059 1.616 1.00 0.32 O ATOM 455 CB ASN A 28 -10.918 -8.009 0.197 1.00 0.36 C ATOM 456 CG ASN A 28 -11.155 -8.655 -1.169 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.381 -7.972 -2.148 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.098 -9.955 -1.278 1.00 1.25 N ATOM 0 H ASN A 28 -8.584 -7.826 -0.560 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.800 -6.043 -0.719 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.284 -8.651 0.809 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.864 -7.897 0.727 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.243 -10.398 -2.185 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.908 -10.528 -0.456 1.00 1.25 H new ATOM 465 N GLY A 29 -9.342 -6.253 2.227 1.00 0.28 N ATOM 466 CA GLY A 29 -9.297 -5.598 3.566 1.00 0.29 C ATOM 467 C GLY A 29 -9.089 -4.089 3.416 1.00 0.28 C ATOM 468 O GLY A 29 -9.677 -3.301 4.129 1.00 0.29 O ATOM 0 H GLY A 29 -8.624 -6.960 2.067 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.225 -5.792 4.104 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.489 -6.025 4.160 1.00 0.29 H new ATOM 472 N ILE A 30 -8.255 -3.676 2.502 1.00 0.26 N ATOM 473 CA ILE A 30 -8.014 -2.216 2.328 1.00 0.27 C ATOM 474 C ILE A 30 -9.329 -1.516 1.972 1.00 0.27 C ATOM 475 O ILE A 30 -9.628 -0.452 2.478 1.00 0.29 O ATOM 476 CB ILE A 30 -6.968 -1.999 1.229 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.604 -2.472 1.745 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.891 -0.510 0.870 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.606 -2.579 0.588 1.00 0.35 C ATOM 0 H ILE A 30 -7.732 -4.283 1.871 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.637 -1.790 3.258 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.247 -2.564 0.340 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.229 -1.775 2.494 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.709 -3.440 2.235 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.146 -0.362 0.088 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.863 -0.171 0.513 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.609 0.063 1.753 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.642 -2.916 0.969 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.976 -3.294 -0.147 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.489 -1.603 0.117 1.00 0.35 H new ATOM 491 N TYR A 31 -10.126 -2.095 1.115 1.00 0.28 N ATOM 492 CA TYR A 31 -11.421 -1.442 0.759 1.00 0.30 C ATOM 493 C TYR A 31 -12.284 -1.273 2.014 1.00 0.30 C ATOM 494 O TYR A 31 -12.935 -0.265 2.199 1.00 0.32 O ATOM 495 CB TYR A 31 -12.179 -2.308 -0.255 1.00 0.36 C ATOM 496 CG TYR A 31 -11.637 -2.079 -1.644 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.886 -0.861 -2.279 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.911 -3.077 -2.303 1.00 1.36 C ATOM 499 CE1 TYR A 31 -11.411 -0.633 -3.571 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.440 -2.852 -3.600 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.691 -1.628 -4.234 1.00 0.58 C ATOM 502 OH TYR A 31 -10.238 -1.401 -5.516 1.00 0.72 O ATOM 0 H TYR A 31 -9.940 -2.983 0.649 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.212 -0.464 0.324 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.083 -3.361 0.012 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.242 -2.067 -0.227 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.448 -0.093 -1.769 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.715 -4.018 -1.811 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -11.600 0.312 -4.058 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.883 -3.622 -4.113 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.760 -0.679 -5.925 1.00 0.72 H new ATOM 512 N GLN A 32 -12.306 -2.257 2.870 1.00 0.31 N ATOM 513 CA GLN A 32 -13.141 -2.160 4.102 1.00 0.35 C ATOM 514 C GLN A 32 -12.696 -0.965 4.947 1.00 0.33 C ATOM 515 O GLN A 32 -13.505 -0.240 5.491 1.00 0.34 O ATOM 516 CB GLN A 32 -12.990 -3.454 4.908 1.00 0.41 C ATOM 517 CG GLN A 32 -13.837 -3.387 6.183 1.00 1.25 C ATOM 518 CD GLN A 32 -13.676 -4.688 6.970 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.235 -5.754 6.360 1.00 2.35 O flip ATOM 520 NE2 GLN A 32 -13.952 -4.735 8.152 1.00 2.51 N flip ATOM 0 H GLN A 32 -11.781 -3.126 2.770 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.185 -2.019 3.824 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.299 -4.306 4.302 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -11.943 -3.610 5.167 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.527 -2.539 6.794 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.885 -3.231 5.928 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -14.297 -3.902 8.629 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -13.839 -5.608 8.668 1.00 2.51 H new ATOM 529 N PHE A 33 -11.416 -0.766 5.076 1.00 0.33 N ATOM 530 CA PHE A 33 -10.912 0.367 5.901 1.00 0.35 C ATOM 531 C PHE A 33 -11.417 1.706 5.350 1.00 0.32 C ATOM 532 O PHE A 33 -11.899 2.544 6.084 1.00 0.34 O ATOM 533 CB PHE A 33 -9.382 0.349 5.889 1.00 0.40 C ATOM 534 CG PHE A 33 -8.847 1.463 6.757 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.601 1.230 8.115 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.589 2.724 6.206 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.099 2.256 8.923 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.088 3.751 7.014 1.00 1.27 C ATOM 539 CZ PHE A 33 -7.843 3.517 8.373 1.00 0.63 C ATOM 0 H PHE A 33 -10.693 -1.341 4.644 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.280 0.255 6.921 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.018 -0.613 6.251 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.016 0.464 4.869 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.799 0.257 8.540 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.777 2.904 5.158 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.909 2.075 9.971 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -7.890 4.724 6.590 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.457 4.310 8.996 1.00 0.63 H new ATOM 549 N ILE A 34 -11.280 1.928 4.070 1.00 0.28 N ATOM 550 CA ILE A 34 -11.719 3.229 3.483 1.00 0.27 C ATOM 551 C ILE A 34 -13.218 3.467 3.702 1.00 0.26 C ATOM 552 O ILE A 34 -13.621 4.521 4.155 1.00 0.27 O ATOM 553 CB ILE A 34 -11.414 3.218 1.985 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.897 3.151 1.789 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.950 4.497 1.332 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.582 2.823 0.329 1.00 0.59 C ATOM 0 H ILE A 34 -10.883 1.265 3.405 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.179 4.036 3.978 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.892 2.354 1.524 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.442 4.102 2.065 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.469 2.392 2.443 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.728 4.481 0.265 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.029 4.556 1.478 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.475 5.365 1.788 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.502 2.776 0.192 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -10.023 1.861 0.069 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.996 3.598 -0.316 1.00 0.59 H new ATOM 568 N MET A 35 -14.055 2.515 3.383 1.00 0.27 N ATOM 569 CA MET A 35 -15.520 2.728 3.577 1.00 0.29 C ATOM 570 C MET A 35 -15.826 2.995 5.052 1.00 0.29 C ATOM 571 O MET A 35 -16.508 3.941 5.389 1.00 0.31 O ATOM 572 CB MET A 35 -16.295 1.498 3.105 1.00 0.37 C ATOM 573 CG MET A 35 -16.212 1.410 1.581 1.00 0.44 C ATOM 574 SD MET A 35 -17.202 0.015 0.988 1.00 0.69 S ATOM 575 CE MET A 35 -16.015 -1.301 1.359 1.00 0.47 C ATOM 0 H MET A 35 -13.791 1.607 3.000 1.00 0.27 H new ATOM 0 HA MET A 35 -15.827 3.593 2.989 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.881 0.596 3.557 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.336 1.565 3.422 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.571 2.337 1.135 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.174 1.288 1.271 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.344 -2.230 0.893 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.035 -1.027 0.969 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.950 -1.439 2.438 1.00 0.47 H new ATOM 585 N ASP A 36 -15.335 2.170 5.934 1.00 0.31 N ATOM 586 CA ASP A 36 -15.612 2.388 7.381 1.00 0.37 C ATOM 587 C ASP A 36 -14.882 3.645 7.858 1.00 0.38 C ATOM 588 O ASP A 36 -15.406 4.425 8.629 1.00 0.45 O ATOM 589 CB ASP A 36 -15.116 1.177 8.175 1.00 0.43 C ATOM 590 CG ASP A 36 -16.009 -0.031 7.879 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.199 0.168 7.694 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.487 -1.132 7.835 1.00 1.17 O ATOM 0 H ASP A 36 -14.757 1.358 5.717 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.684 2.514 7.534 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.083 0.953 7.908 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.129 1.399 9.242 1.00 0.43 H new ATOM 597 N ARG A 37 -13.675 3.847 7.404 1.00 0.39 N ATOM 598 CA ARG A 37 -12.904 5.051 7.825 1.00 0.46 C ATOM 599 C ARG A 37 -13.582 6.314 7.282 1.00 0.45 C ATOM 600 O ARG A 37 -13.814 7.261 8.008 1.00 0.59 O ATOM 601 CB ARG A 37 -11.479 4.946 7.271 1.00 0.53 C ATOM 602 CG ARG A 37 -10.643 6.167 7.682 1.00 1.16 C ATOM 603 CD ARG A 37 -10.491 6.218 9.206 1.00 1.28 C ATOM 604 NE ARG A 37 -9.277 7.011 9.549 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.095 7.433 10.770 1.00 2.16 C ATOM 606 NH1 ARG A 37 -9.970 7.153 11.696 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.034 8.133 11.065 1.00 3.00 N ATOM 0 H ARG A 37 -13.188 3.227 6.757 1.00 0.39 H new ATOM 0 HA ARG A 37 -12.872 5.108 8.913 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.007 4.035 7.640 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.511 4.871 6.184 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -9.660 6.118 7.213 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.121 7.080 7.326 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.375 6.669 9.657 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.407 5.209 9.609 1.00 1.28 H new ATOM 0 HE ARG A 37 -8.587 7.224 8.828 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.798 6.603 11.466 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -9.826 7.484 12.650 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -7.348 8.350 10.341 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -7.890 8.464 12.019 1.00 3.00 H new ATOM 621 N PHE A 38 -13.892 6.333 6.007 1.00 0.40 N ATOM 622 CA PHE A 38 -14.548 7.529 5.387 1.00 0.41 C ATOM 623 C PHE A 38 -15.917 7.119 4.815 1.00 0.39 C ATOM 624 O PHE A 38 -15.983 6.261 3.957 1.00 0.51 O ATOM 625 CB PHE A 38 -13.670 8.051 4.244 1.00 0.43 C ATOM 626 CG PHE A 38 -12.377 8.595 4.807 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.343 9.881 5.361 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.214 7.816 4.774 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.146 10.387 5.882 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.018 8.322 5.295 1.00 1.54 C ATOM 631 CZ PHE A 38 -9.984 9.607 5.849 1.00 0.82 C ATOM 0 H PHE A 38 -13.716 5.562 5.363 1.00 0.40 H new ATOM 0 HA PHE A 38 -14.678 8.305 6.141 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.461 7.249 3.536 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.196 8.832 3.695 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.240 10.482 5.386 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.240 6.825 4.346 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -11.119 11.379 6.309 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.121 7.721 5.270 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.061 9.997 6.251 1.00 0.82 H new ATOM 641 N PRO A 39 -17.008 7.704 5.265 1.00 0.53 N ATOM 642 CA PRO A 39 -18.362 7.349 4.749 1.00 0.55 C ATOM 643 C PRO A 39 -18.663 8.016 3.400 1.00 0.47 C ATOM 644 O PRO A 39 -19.663 7.739 2.766 1.00 0.47 O ATOM 645 CB PRO A 39 -19.300 7.873 5.840 1.00 0.70 C ATOM 646 CG PRO A 39 -18.590 9.060 6.407 1.00 1.21 C ATOM 647 CD PRO A 39 -17.091 8.754 6.301 1.00 0.88 C ATOM 0 HA PRO A 39 -18.466 6.281 4.560 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.271 8.150 5.429 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.481 7.117 6.604 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -18.842 9.965 5.854 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -18.880 9.228 7.444 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -16.523 9.640 6.017 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -16.687 8.408 7.252 1.00 0.88 H new ATOM 655 N PHE A 40 -17.804 8.894 2.964 1.00 0.44 N ATOM 656 CA PHE A 40 -18.022 9.588 1.661 1.00 0.42 C ATOM 657 C PHE A 40 -18.086 8.565 0.519 1.00 0.34 C ATOM 658 O PHE A 40 -18.871 8.691 -0.399 1.00 0.36 O ATOM 659 CB PHE A 40 -16.858 10.567 1.427 1.00 0.48 C ATOM 660 CG PHE A 40 -16.729 10.895 -0.046 1.00 1.33 C ATOM 661 CD1 PHE A 40 -17.671 11.723 -0.668 1.00 2.20 C ATOM 662 CD2 PHE A 40 -15.673 10.350 -0.791 1.00 2.34 C ATOM 663 CE1 PHE A 40 -17.557 12.010 -2.034 1.00 3.29 C ATOM 664 CE2 PHE A 40 -15.562 10.635 -2.157 1.00 3.41 C ATOM 665 CZ PHE A 40 -16.503 11.466 -2.778 1.00 3.74 C ATOM 0 H PHE A 40 -16.953 9.164 3.457 1.00 0.44 H new ATOM 0 HA PHE A 40 -18.966 10.132 1.686 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.024 11.482 1.996 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -15.928 10.130 1.791 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -18.485 12.140 -0.095 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -14.946 9.711 -0.311 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -18.282 12.651 -2.514 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -14.751 10.214 -2.732 1.00 3.41 H new ATOM 0 HZ PHE A 40 -16.416 11.687 -3.831 1.00 3.74 H new ATOM 675 N TYR A 41 -17.239 7.577 0.553 1.00 0.27 N ATOM 676 CA TYR A 41 -17.212 6.567 -0.542 1.00 0.25 C ATOM 677 C TYR A 41 -18.498 5.743 -0.549 1.00 0.29 C ATOM 678 O TYR A 41 -18.920 5.248 -1.576 1.00 0.35 O ATOM 679 CB TYR A 41 -16.000 5.665 -0.332 1.00 0.23 C ATOM 680 CG TYR A 41 -14.766 6.504 -0.537 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.199 6.615 -1.808 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.207 7.195 0.543 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.068 7.412 -2.005 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.076 7.993 0.351 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.505 8.104 -0.924 1.00 0.34 C ATOM 686 OH TYR A 41 -11.388 8.892 -1.115 1.00 0.40 O ATOM 0 H TYR A 41 -16.559 7.423 1.297 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.139 7.070 -1.506 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.010 5.238 0.671 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -16.017 4.831 -1.034 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.635 6.084 -2.641 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.649 7.112 1.525 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -12.629 7.494 -2.988 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -12.642 8.524 1.185 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.127 9.302 -0.264 1.00 0.40 H new ATOM 696 N ARG A 42 -19.129 5.590 0.578 1.00 0.33 N ATOM 697 CA ARG A 42 -20.384 4.791 0.612 1.00 0.42 C ATOM 698 C ARG A 42 -21.406 5.405 -0.352 1.00 0.44 C ATOM 699 O ARG A 42 -22.285 4.729 -0.848 1.00 0.53 O ATOM 700 CB ARG A 42 -20.950 4.786 2.033 1.00 0.50 C ATOM 701 CG ARG A 42 -20.042 3.947 2.937 1.00 0.58 C ATOM 702 CD ARG A 42 -20.605 3.940 4.358 1.00 0.63 C ATOM 703 NE ARG A 42 -19.707 3.147 5.257 1.00 1.26 N ATOM 704 CZ ARG A 42 -19.453 1.883 5.039 1.00 1.66 C ATOM 705 NH1 ARG A 42 -20.104 1.225 4.120 1.00 1.95 N ATOM 706 NH2 ARG A 42 -18.573 1.262 5.777 1.00 2.51 N ATOM 0 H ARG A 42 -18.834 5.980 1.473 1.00 0.33 H new ATOM 0 HA ARG A 42 -20.172 3.766 0.308 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.019 5.805 2.413 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.960 4.377 2.033 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.973 2.928 2.556 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.032 4.356 2.937 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.695 4.961 4.728 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.607 3.511 4.360 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.281 3.606 6.062 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.818 1.696 3.564 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -19.899 0.239 3.957 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -18.086 1.763 6.521 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -18.372 0.276 5.610 1.00 2.51 H new ATOM 720 N GLU A 43 -21.306 6.682 -0.618 1.00 0.42 N ATOM 721 CA GLU A 43 -22.277 7.337 -1.547 1.00 0.48 C ATOM 722 C GLU A 43 -21.772 7.242 -2.988 1.00 0.45 C ATOM 723 O GLU A 43 -22.389 7.739 -3.909 1.00 0.66 O ATOM 724 CB GLU A 43 -22.429 8.812 -1.166 1.00 0.62 C ATOM 725 CG GLU A 43 -23.094 8.925 0.207 1.00 1.27 C ATOM 726 CD GLU A 43 -23.234 10.401 0.581 1.00 1.75 C ATOM 727 OE1 GLU A 43 -22.293 10.943 1.139 1.00 2.34 O ATOM 728 OE2 GLU A 43 -24.279 10.967 0.302 1.00 2.28 O ATOM 0 H GLU A 43 -20.593 7.301 -0.232 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.239 6.831 -1.469 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -21.452 9.295 -1.148 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.028 9.331 -1.914 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.074 8.448 0.190 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -22.499 8.403 0.956 1.00 1.27 H new ATOM 735 N ASN A 44 -20.651 6.607 -3.186 1.00 0.44 N ATOM 736 CA ASN A 44 -20.087 6.474 -4.565 1.00 0.43 C ATOM 737 C ASN A 44 -19.340 5.144 -4.679 1.00 0.37 C ATOM 738 O ASN A 44 -18.234 5.004 -4.197 1.00 0.47 O ATOM 739 CB ASN A 44 -19.113 7.624 -4.824 1.00 0.54 C ATOM 740 CG ASN A 44 -18.700 7.628 -6.296 1.00 1.30 C ATOM 741 OD1 ASN A 44 -19.354 7.028 -7.125 1.00 2.01 O ATOM 742 ND2 ASN A 44 -17.632 8.284 -6.658 1.00 1.97 N ATOM 0 H ASN A 44 -20.096 6.171 -2.450 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.894 6.505 -5.297 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.580 8.574 -4.565 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.233 7.518 -4.190 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -17.346 8.293 -7.637 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -17.083 8.788 -5.962 1.00 1.97 H new ATOM 749 N LYS A 45 -19.936 4.160 -5.300 1.00 0.49 N ATOM 750 CA LYS A 45 -19.261 2.834 -5.430 1.00 0.61 C ATOM 751 C LYS A 45 -18.408 2.776 -6.699 1.00 0.71 C ATOM 752 O LYS A 45 -17.202 2.640 -6.642 1.00 0.97 O ATOM 753 CB LYS A 45 -20.322 1.734 -5.501 1.00 0.76 C ATOM 754 CG LYS A 45 -21.097 1.667 -4.185 1.00 0.74 C ATOM 755 CD LYS A 45 -22.153 0.562 -4.275 1.00 0.93 C ATOM 756 CE LYS A 45 -22.934 0.488 -2.961 1.00 1.11 C ATOM 757 NZ LYS A 45 -24.006 -0.542 -3.072 1.00 1.68 N ATOM 0 H LYS A 45 -20.862 4.217 -5.723 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.615 2.690 -4.564 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -21.007 1.931 -6.326 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.848 0.773 -5.703 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -20.415 1.468 -3.358 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.574 2.626 -3.981 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.833 0.762 -5.103 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.675 -0.396 -4.480 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.261 0.240 -2.140 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -23.372 1.459 -2.732 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -24.535 -0.590 -2.178 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -24.654 -0.287 -3.844 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -23.578 -1.469 -3.271 1.00 1.68 H new ATOM 771 N GLN A 46 -19.025 2.849 -7.848 1.00 0.95 N ATOM 772 CA GLN A 46 -18.244 2.767 -9.114 1.00 1.12 C ATOM 773 C GLN A 46 -17.404 4.031 -9.295 1.00 0.71 C ATOM 774 O GLN A 46 -17.819 5.119 -8.949 1.00 1.16 O ATOM 775 CB GLN A 46 -19.199 2.620 -10.299 1.00 1.90 C ATOM 776 CG GLN A 46 -19.910 1.268 -10.215 1.00 2.64 C ATOM 777 CD GLN A 46 -20.866 1.120 -11.400 1.00 3.38 C ATOM 778 OE1 GLN A 46 -21.567 2.049 -11.750 1.00 3.81 O ATOM 779 NE2 GLN A 46 -20.920 -0.016 -12.039 1.00 3.98 N ATOM 0 H GLN A 46 -20.032 2.961 -7.964 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.584 1.901 -9.066 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.930 3.429 -10.293 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.647 2.695 -11.236 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.179 0.460 -10.221 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.461 1.193 -9.278 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.331 -0.795 -11.745 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.551 -0.125 -12.833 1.00 3.98 H new ATOM 788 N GLY A 47 -16.223 3.888 -9.840 1.00 0.78 N ATOM 789 CA GLY A 47 -15.330 5.065 -10.065 1.00 0.73 C ATOM 790 C GLY A 47 -14.105 4.966 -9.155 1.00 0.54 C ATOM 791 O GLY A 47 -12.980 4.957 -9.615 1.00 0.64 O ATOM 0 H GLY A 47 -15.835 2.995 -10.142 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -15.017 5.102 -11.109 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.872 5.989 -9.862 1.00 0.73 H new ATOM 795 N TRP A 48 -14.307 4.904 -7.865 1.00 0.44 N ATOM 796 CA TRP A 48 -13.147 4.820 -6.930 1.00 0.33 C ATOM 797 C TRP A 48 -12.775 3.357 -6.672 1.00 0.31 C ATOM 798 O TRP A 48 -11.748 3.065 -6.095 1.00 0.37 O ATOM 799 CB TRP A 48 -13.512 5.511 -5.610 1.00 0.36 C ATOM 800 CG TRP A 48 -14.410 4.648 -4.775 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.754 4.551 -4.906 1.00 0.37 C ATOM 802 CD2 TRP A 48 -14.048 3.775 -3.664 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.237 3.678 -3.949 1.00 0.37 N ATOM 804 CE2 TRP A 48 -15.226 3.173 -3.160 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.825 3.451 -3.051 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -15.192 2.284 -2.084 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.787 2.558 -1.970 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.967 1.977 -1.487 1.00 0.42 C ATOM 0 H TRP A 48 -15.224 4.908 -7.419 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.288 5.319 -7.378 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.603 5.740 -5.053 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.006 6.460 -5.818 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.352 5.071 -5.639 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.222 3.437 -3.840 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.909 3.892 -3.415 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -16.104 1.838 -1.717 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.842 2.317 -1.507 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.929 1.292 -0.653 1.00 0.42 H new ATOM 819 N GLN A 49 -13.604 2.433 -7.070 1.00 0.41 N ATOM 820 CA GLN A 49 -13.285 1.000 -6.813 1.00 0.47 C ATOM 821 C GLN A 49 -12.087 0.557 -7.659 1.00 0.37 C ATOM 822 O GLN A 49 -11.107 0.057 -7.144 1.00 0.38 O ATOM 823 CB GLN A 49 -14.504 0.139 -7.159 1.00 0.65 C ATOM 824 CG GLN A 49 -14.214 -1.331 -6.839 1.00 1.21 C ATOM 825 CD GLN A 49 -15.439 -2.181 -7.181 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.980 -2.078 -8.265 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.904 -3.019 -6.296 1.00 1.59 N ATOM 0 H GLN A 49 -14.483 2.605 -7.559 1.00 0.41 H new ATOM 0 HA GLN A 49 -13.033 0.878 -5.760 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.372 0.479 -6.594 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.749 0.248 -8.215 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.350 -1.674 -7.408 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.965 -1.442 -5.784 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.450 -3.105 -5.387 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.722 -3.588 -6.513 1.00 1.59 H new ATOM 836 N ASN A 50 -12.161 0.715 -8.950 1.00 0.37 N ATOM 837 CA ASN A 50 -11.032 0.275 -9.820 1.00 0.39 C ATOM 838 C ASN A 50 -9.814 1.183 -9.622 1.00 0.34 C ATOM 839 O ASN A 50 -8.685 0.757 -9.765 1.00 0.39 O ATOM 840 CB ASN A 50 -11.469 0.326 -11.286 1.00 0.53 C ATOM 841 CG ASN A 50 -12.574 -0.707 -11.524 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.813 -1.559 -10.692 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.256 -0.674 -12.637 1.00 1.28 N ATOM 0 H ASN A 50 -12.953 1.129 -9.442 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.758 -0.744 -9.548 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.829 1.324 -11.535 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.619 0.122 -11.937 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.988 -1.363 -12.807 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.056 0.041 -13.336 1.00 1.28 H new ATOM 850 N SER A 51 -10.028 2.434 -9.323 1.00 0.31 N ATOM 851 CA SER A 51 -8.874 3.363 -9.147 1.00 0.36 C ATOM 852 C SER A 51 -7.955 2.882 -8.019 1.00 0.37 C ATOM 853 O SER A 51 -6.747 2.962 -8.119 1.00 0.50 O ATOM 854 CB SER A 51 -9.402 4.755 -8.805 1.00 0.38 C ATOM 855 OG SER A 51 -10.000 4.722 -7.516 1.00 1.49 O ATOM 0 H SER A 51 -10.949 2.854 -9.193 1.00 0.31 H new ATOM 0 HA SER A 51 -8.302 3.391 -10.074 1.00 0.36 H new ATOM 0 HB2 SER A 51 -8.589 5.481 -8.824 1.00 0.38 H new ATOM 0 HB3 SER A 51 -10.131 5.074 -9.550 1.00 0.38 H new ATOM 0 HG SER A 51 -9.850 5.578 -7.064 1.00 1.49 H new ATOM 861 N ILE A 52 -8.507 2.399 -6.939 1.00 0.33 N ATOM 862 CA ILE A 52 -7.647 1.936 -5.810 1.00 0.43 C ATOM 863 C ILE A 52 -6.719 0.805 -6.274 1.00 0.42 C ATOM 864 O ILE A 52 -5.523 0.855 -6.069 1.00 0.47 O ATOM 865 CB ILE A 52 -8.553 1.436 -4.679 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.410 2.598 -4.137 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.707 0.822 -3.558 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.638 3.460 -3.127 1.00 0.64 C ATOM 0 H ILE A 52 -9.511 2.305 -6.789 1.00 0.33 H new ATOM 0 HA ILE A 52 -7.030 2.762 -5.458 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.219 0.666 -5.070 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.742 3.222 -4.967 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.305 2.197 -3.662 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.361 0.470 -2.760 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -7.133 -0.016 -3.953 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -7.025 1.575 -3.163 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.280 4.266 -2.771 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.329 2.843 -2.283 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.757 3.883 -3.609 1.00 0.64 H new ATOM 880 N ARG A 53 -7.253 -0.207 -6.900 1.00 0.45 N ATOM 881 CA ARG A 53 -6.395 -1.332 -7.382 1.00 0.53 C ATOM 882 C ARG A 53 -5.521 -0.867 -8.548 1.00 0.49 C ATOM 883 O ARG A 53 -4.386 -1.271 -8.688 1.00 0.47 O ATOM 884 CB ARG A 53 -7.288 -2.484 -7.850 1.00 0.76 C ATOM 885 CG ARG A 53 -7.924 -3.159 -6.637 1.00 0.56 C ATOM 886 CD ARG A 53 -9.127 -3.996 -7.083 1.00 0.37 C ATOM 887 NE ARG A 53 -8.692 -5.032 -8.061 1.00 1.42 N ATOM 888 CZ ARG A 53 -9.485 -6.031 -8.343 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.658 -6.114 -7.775 1.00 1.58 N ATOM 890 NH2 ARG A 53 -9.109 -6.946 -9.195 1.00 2.76 N ATOM 0 H ARG A 53 -8.248 -0.306 -7.100 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.754 -1.665 -6.566 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -8.063 -2.109 -8.519 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.701 -3.207 -8.416 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.193 -3.794 -6.137 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.240 -2.407 -5.914 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.590 -4.472 -6.219 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.881 -3.352 -7.535 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.778 -4.962 -8.509 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.955 -5.399 -7.111 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.277 -6.894 -7.995 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -8.194 -6.882 -9.642 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -9.730 -7.725 -9.414 1.00 2.76 H new ATOM 904 N HIS A 54 -6.057 -0.043 -9.403 1.00 0.52 N ATOM 905 CA HIS A 54 -5.276 0.425 -10.581 1.00 0.59 C ATOM 906 C HIS A 54 -4.011 1.161 -10.131 1.00 0.53 C ATOM 907 O HIS A 54 -2.961 1.016 -10.724 1.00 0.59 O ATOM 908 CB HIS A 54 -6.140 1.369 -11.416 1.00 0.67 C ATOM 909 CG HIS A 54 -5.354 1.843 -12.605 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.888 3.142 -12.711 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.938 1.201 -13.746 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.226 3.243 -13.876 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.225 2.089 -14.547 1.00 2.48 N ATOM 0 H HIS A 54 -7.005 0.328 -9.337 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.985 -0.441 -11.176 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.045 0.857 -11.745 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.456 2.220 -10.813 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.134 0.166 -13.985 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.752 4.148 -14.227 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -3.794 1.899 -15.452 1.00 2.48 H new ATOM 921 N ASN A 55 -4.096 1.959 -9.104 1.00 0.46 N ATOM 922 CA ASN A 55 -2.888 2.706 -8.650 1.00 0.50 C ATOM 923 C ASN A 55 -1.867 1.750 -8.027 1.00 0.45 C ATOM 924 O ASN A 55 -0.708 2.084 -7.878 1.00 0.51 O ATOM 925 CB ASN A 55 -3.294 3.769 -7.621 1.00 0.53 C ATOM 926 CG ASN A 55 -3.823 3.105 -6.346 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.333 2.076 -5.924 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.810 3.664 -5.701 1.00 1.97 N ATOM 0 H ASN A 55 -4.943 2.127 -8.562 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.432 3.189 -9.514 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -2.437 4.398 -7.382 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -4.059 4.420 -8.044 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.167 3.237 -4.846 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.224 4.528 -6.052 1.00 1.97 H new ATOM 935 N LEU A 56 -2.279 0.572 -7.639 1.00 0.39 N ATOM 936 CA LEU A 56 -1.315 -0.374 -7.004 1.00 0.39 C ATOM 937 C LEU A 56 -0.246 -0.828 -8.005 1.00 0.44 C ATOM 938 O LEU A 56 0.911 -0.963 -7.661 1.00 0.78 O ATOM 939 CB LEU A 56 -2.055 -1.605 -6.472 1.00 0.44 C ATOM 940 CG LEU A 56 -2.936 -1.229 -5.268 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.738 -2.460 -4.820 1.00 0.65 C ATOM 942 CD2 LEU A 56 -2.065 -0.732 -4.098 1.00 0.53 C ATOM 0 H LEU A 56 -3.234 0.226 -7.733 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.829 0.150 -6.181 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.672 -2.034 -7.261 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.336 -2.370 -6.179 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.616 -0.430 -5.564 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.363 -2.196 -3.967 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.369 -2.801 -5.641 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.052 -3.257 -4.534 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.704 -0.470 -3.254 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.374 -1.520 -3.799 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.501 0.146 -4.412 1.00 0.53 H new ATOM 954 N SER A 57 -0.615 -1.084 -9.230 1.00 0.55 N ATOM 955 CA SER A 57 0.397 -1.550 -10.223 1.00 0.61 C ATOM 956 C SER A 57 1.365 -0.418 -10.584 1.00 0.64 C ATOM 957 O SER A 57 2.567 -0.596 -10.593 1.00 0.69 O ATOM 958 CB SER A 57 -0.317 -2.026 -11.488 1.00 0.71 C ATOM 959 OG SER A 57 0.641 -2.537 -12.405 1.00 1.60 O ATOM 0 H SER A 57 -1.566 -0.992 -9.586 1.00 0.55 H new ATOM 0 HA SER A 57 0.966 -2.369 -9.783 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.046 -2.797 -11.239 1.00 0.71 H new ATOM 0 HB3 SER A 57 -0.867 -1.201 -11.941 1.00 0.71 H new ATOM 0 HG SER A 57 0.186 -2.844 -13.216 1.00 1.60 H new ATOM 965 N LEU A 58 0.853 0.741 -10.895 1.00 0.65 N ATOM 966 CA LEU A 58 1.743 1.877 -11.273 1.00 0.73 C ATOM 967 C LEU A 58 2.647 2.268 -10.101 1.00 0.69 C ATOM 968 O LEU A 58 3.804 2.587 -10.282 1.00 0.76 O ATOM 969 CB LEU A 58 0.893 3.083 -11.673 1.00 0.81 C ATOM 970 CG LEU A 58 0.190 2.813 -13.008 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.852 3.910 -13.255 1.00 1.38 C ATOM 972 CD2 LEU A 58 1.208 2.801 -14.166 1.00 1.31 C ATOM 0 H LEU A 58 -0.145 0.951 -10.904 1.00 0.65 H new ATOM 0 HA LEU A 58 2.365 1.564 -12.111 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.154 3.289 -10.899 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.522 3.969 -11.757 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.295 1.838 -12.963 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.357 3.725 -14.203 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.584 3.905 -12.447 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.357 4.881 -13.290 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.689 2.608 -15.105 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.709 3.768 -14.220 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.947 2.019 -13.993 1.00 1.31 H new ATOM 984 N ASN A 59 2.128 2.270 -8.905 1.00 0.62 N ATOM 985 CA ASN A 59 2.966 2.670 -7.741 1.00 0.61 C ATOM 986 C ASN A 59 3.924 1.537 -7.370 1.00 0.56 C ATOM 987 O ASN A 59 3.519 0.484 -6.919 1.00 0.52 O ATOM 988 CB ASN A 59 2.055 2.985 -6.553 1.00 0.64 C ATOM 989 CG ASN A 59 1.248 4.249 -6.853 1.00 0.83 C ATOM 990 OD1 ASN A 59 1.809 5.293 -7.118 1.00 1.42 O ATOM 991 ND2 ASN A 59 -0.055 4.196 -6.831 1.00 1.29 N ATOM 0 H ASN A 59 1.166 2.014 -8.684 1.00 0.62 H new ATOM 0 HA ASN A 59 3.550 3.553 -8.002 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.383 2.148 -6.364 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.651 3.126 -5.651 1.00 0.64 H new ATOM 0 HD21 ASN A 59 -0.603 5.031 -7.036 1.00 1.29 H new ATOM 0 HD22 ASN A 59 -0.526 3.319 -6.608 1.00 1.29 H new ATOM 998 N GLU A 60 5.200 1.755 -7.557 1.00 0.62 N ATOM 999 CA GLU A 60 6.209 0.711 -7.220 1.00 0.65 C ATOM 1000 C GLU A 60 6.664 0.890 -5.769 1.00 0.58 C ATOM 1001 O GLU A 60 7.416 0.096 -5.239 1.00 0.55 O ATOM 1002 CB GLU A 60 7.408 0.862 -8.153 1.00 0.84 C ATOM 1003 CG GLU A 60 6.945 0.668 -9.598 1.00 0.97 C ATOM 1004 CD GLU A 60 6.573 -0.798 -9.824 1.00 1.52 C ATOM 1005 OE1 GLU A 60 7.009 -1.627 -9.041 1.00 2.02 O ATOM 1006 OE2 GLU A 60 5.855 -1.068 -10.771 1.00 2.17 O ATOM 0 H GLU A 60 5.588 2.620 -7.932 1.00 0.62 H new ATOM 0 HA GLU A 60 5.770 -0.280 -7.339 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.857 1.848 -8.031 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.175 0.129 -7.902 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.087 1.308 -9.805 1.00 0.97 H new ATOM 0 HG3 GLU A 60 7.736 0.963 -10.287 1.00 0.97 H new ATOM 1013 N CYS A 61 6.223 1.938 -5.128 1.00 0.62 N ATOM 1014 CA CYS A 61 6.634 2.188 -3.717 1.00 0.65 C ATOM 1015 C CYS A 61 6.139 1.056 -2.814 1.00 0.53 C ATOM 1016 O CYS A 61 6.792 0.684 -1.859 1.00 0.57 O ATOM 1017 CB CYS A 61 6.041 3.514 -3.239 1.00 0.78 C ATOM 1018 SG CYS A 61 4.235 3.440 -3.339 1.00 1.56 S ATOM 0 H CYS A 61 5.592 2.635 -5.523 1.00 0.62 H new ATOM 0 HA CYS A 61 7.722 2.232 -3.669 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.351 3.714 -2.213 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.416 4.334 -3.851 1.00 0.78 H new ATOM 0 HG CYS A 61 3.798 2.476 -2.585 1.00 1.56 H new ATOM 1024 N PHE A 62 4.989 0.512 -3.097 1.00 0.46 N ATOM 1025 CA PHE A 62 4.459 -0.586 -2.241 1.00 0.40 C ATOM 1026 C PHE A 62 5.157 -1.900 -2.600 1.00 0.44 C ATOM 1027 O PHE A 62 5.613 -2.087 -3.712 1.00 0.55 O ATOM 1028 CB PHE A 62 2.953 -0.729 -2.466 1.00 0.44 C ATOM 1029 CG PHE A 62 2.257 0.554 -2.077 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.274 0.980 -0.742 1.00 1.29 C ATOM 1031 CD2 PHE A 62 1.591 1.319 -3.045 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.627 2.166 -0.377 1.00 1.32 C ATOM 1033 CE2 PHE A 62 0.945 2.506 -2.677 1.00 1.32 C ATOM 1034 CZ PHE A 62 0.963 2.929 -1.344 1.00 0.59 C ATOM 0 H PHE A 62 4.394 0.779 -3.882 1.00 0.46 H new ATOM 0 HA PHE A 62 4.648 -0.351 -1.194 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.752 -0.961 -3.512 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.564 -1.559 -1.875 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.787 0.393 0.005 1.00 1.29 H new ATOM 0 HD2 PHE A 62 1.576 0.993 -4.075 1.00 1.27 H new ATOM 0 HE1 PHE A 62 1.640 2.493 0.652 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.433 3.095 -3.423 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.465 3.844 -1.061 1.00 0.59 H new ATOM 1044 N VAL A 63 5.252 -2.805 -1.658 1.00 0.46 N ATOM 1045 CA VAL A 63 5.931 -4.113 -1.909 1.00 0.55 C ATOM 1046 C VAL A 63 4.903 -5.247 -1.837 1.00 0.45 C ATOM 1047 O VAL A 63 4.131 -5.341 -0.903 1.00 0.45 O ATOM 1048 CB VAL A 63 7.002 -4.320 -0.836 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.789 -5.599 -1.132 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.954 -3.118 -0.830 1.00 0.91 C ATOM 0 H VAL A 63 4.883 -2.691 -0.714 1.00 0.46 H new ATOM 0 HA VAL A 63 6.390 -4.113 -2.898 1.00 0.55 H new ATOM 0 HB VAL A 63 6.525 -4.412 0.140 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.551 -5.743 -0.366 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.110 -6.452 -1.134 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.267 -5.514 -2.108 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.718 -3.263 -0.066 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.430 -3.026 -1.806 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.392 -2.210 -0.613 1.00 0.91 H new ATOM 1060 N LYS A 64 4.880 -6.102 -2.825 1.00 0.53 N ATOM 1061 CA LYS A 64 3.896 -7.225 -2.829 1.00 0.56 C ATOM 1062 C LYS A 64 4.411 -8.379 -1.964 1.00 0.54 C ATOM 1063 O LYS A 64 5.601 -8.596 -1.846 1.00 0.77 O ATOM 1064 CB LYS A 64 3.707 -7.721 -4.264 1.00 0.84 C ATOM 1065 CG LYS A 64 3.106 -6.608 -5.121 1.00 0.94 C ATOM 1066 CD LYS A 64 2.942 -7.110 -6.558 1.00 1.11 C ATOM 1067 CE LYS A 64 2.077 -6.128 -7.350 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.243 -6.382 -8.809 1.00 1.81 N ATOM 0 H LYS A 64 5.502 -6.071 -3.632 1.00 0.53 H new ATOM 0 HA LYS A 64 2.947 -6.871 -2.426 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.665 -8.035 -4.679 1.00 0.84 H new ATOM 0 HB3 LYS A 64 3.054 -8.593 -4.274 1.00 0.84 H new ATOM 0 HG2 LYS A 64 2.140 -6.303 -4.717 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.751 -5.730 -5.102 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.918 -7.213 -7.031 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.481 -8.098 -6.558 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.030 -6.240 -7.068 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.363 -5.103 -7.114 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.655 -5.714 -9.347 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 3.241 -6.254 -9.072 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.949 -7.355 -9.028 1.00 1.81 H new ATOM 1082 N VAL A 65 3.519 -9.126 -1.366 1.00 0.50 N ATOM 1083 CA VAL A 65 3.929 -10.282 -0.509 1.00 0.57 C ATOM 1084 C VAL A 65 2.975 -11.458 -0.781 1.00 0.63 C ATOM 1085 O VAL A 65 1.773 -11.288 -0.724 1.00 0.84 O ATOM 1086 CB VAL A 65 3.819 -9.872 0.964 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.126 -11.066 1.873 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.820 -8.753 1.256 1.00 0.69 C ATOM 0 H VAL A 65 2.511 -8.983 -1.435 1.00 0.50 H new ATOM 0 HA VAL A 65 4.955 -10.575 -0.733 1.00 0.57 H new ATOM 0 HB VAL A 65 2.804 -9.526 1.157 1.00 0.69 H new ATOM 0 HG11 VAL A 65 4.044 -10.760 2.916 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.415 -11.868 1.673 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.138 -11.421 1.678 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.743 -8.460 2.303 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.831 -9.106 1.051 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.601 -7.894 0.622 1.00 0.69 H new ATOM 1098 N PRO A 66 3.469 -12.643 -1.070 1.00 0.81 N ATOM 1099 CA PRO A 66 2.581 -13.813 -1.336 1.00 0.96 C ATOM 1100 C PRO A 66 1.932 -14.334 -0.051 1.00 0.95 C ATOM 1101 O PRO A 66 2.132 -13.788 1.017 1.00 1.13 O ATOM 1102 CB PRO A 66 3.525 -14.861 -1.938 1.00 1.25 C ATOM 1103 CG PRO A 66 4.870 -14.534 -1.374 1.00 1.65 C ATOM 1104 CD PRO A 66 4.895 -13.014 -1.175 1.00 1.18 C ATOM 0 HA PRO A 66 1.751 -13.560 -1.996 1.00 0.96 H new ATOM 0 HB2 PRO A 66 3.218 -15.871 -1.668 1.00 1.25 H new ATOM 0 HB3 PRO A 66 3.530 -14.810 -3.027 1.00 1.25 H new ATOM 0 HG2 PRO A 66 5.032 -15.053 -0.429 1.00 1.65 H new ATOM 0 HG3 PRO A 66 5.663 -14.851 -2.051 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.446 -12.738 -0.276 1.00 1.18 H new ATOM 0 HD3 PRO A 66 5.378 -12.510 -2.012 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.557 -10.115 0.026 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.703 -9.068 1.079 1.00 0.46 C ATOM 1267 C TYR A 77 0.158 -7.873 0.679 1.00 0.38 C ATOM 1268 O TYR A 77 1.070 -7.996 -0.115 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.222 -9.578 2.442 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.847 -10.909 2.821 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.135 -11.275 2.391 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.118 -11.779 3.641 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.680 -12.504 2.784 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.664 -13.007 4.029 1.00 1.32 C ATOM 1275 CZ TYR A 77 -1.944 -13.369 3.602 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.484 -14.579 3.987 1.00 0.90 O ATOM 0 HA TYR A 77 -1.755 -8.797 1.164 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.863 -9.682 2.425 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.459 -8.839 3.207 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.703 -10.609 1.758 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.870 -11.501 3.975 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.670 -12.785 2.455 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.096 -13.675 4.659 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.843 -15.058 4.552 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.137 -6.715 1.209 1.00 0.32 N ATOM 1287 CA TRP A 78 0.644 -5.490 0.856 1.00 0.31 C ATOM 1288 C TRP A 78 1.276 -4.887 2.113 1.00 0.32 C ATOM 1289 O TRP A 78 0.642 -4.750 3.142 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.316 -4.490 0.211 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.808 -5.079 -1.072 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.695 -6.097 -1.171 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.454 -4.714 -2.437 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -1.899 -6.384 -2.508 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.159 -5.557 -3.328 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.401 -3.743 -2.980 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.014 -5.440 -4.712 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.546 -3.620 -4.370 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.159 -4.467 -5.235 1.00 0.46 C ATOM 0 H TRP A 78 -0.892 -6.563 1.877 1.00 0.32 H new ATOM 0 HA TRP A 78 1.448 -5.739 0.163 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.152 -4.280 0.878 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.190 -3.542 0.025 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.166 -6.602 -0.341 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.521 -7.118 -2.847 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.951 -3.086 -2.323 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.559 -6.097 -5.373 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.206 -2.867 -4.776 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.042 -4.368 -6.304 1.00 0.46 H new ATOM 1310 N THR A 79 2.530 -4.528 2.029 1.00 0.33 N ATOM 1311 CA THR A 79 3.235 -3.929 3.199 1.00 0.37 C ATOM 1312 C THR A 79 4.369 -3.037 2.691 1.00 0.40 C ATOM 1313 O THR A 79 4.681 -3.030 1.515 1.00 0.45 O ATOM 1314 CB THR A 79 3.815 -5.039 4.081 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.485 -4.459 5.190 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.798 -5.881 3.267 1.00 0.56 C ATOM 0 H THR A 79 3.102 -4.626 1.190 1.00 0.33 H new ATOM 0 HA THR A 79 2.532 -3.339 3.787 1.00 0.37 H new ATOM 0 HB THR A 79 3.008 -5.678 4.439 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.855 -5.168 5.756 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.209 -6.670 3.897 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.279 -6.327 2.419 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.607 -5.247 2.905 1.00 0.56 H new ATOM 1324 N LEU A 80 4.988 -2.278 3.558 1.00 0.45 N ATOM 1325 CA LEU A 80 6.098 -1.380 3.115 1.00 0.53 C ATOM 1326 C LEU A 80 7.452 -2.050 3.365 1.00 0.74 C ATOM 1327 O LEU A 80 7.802 -2.379 4.481 1.00 1.42 O ATOM 1328 CB LEU A 80 6.035 -0.069 3.905 1.00 0.54 C ATOM 1329 CG LEU A 80 4.813 0.756 3.475 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.529 1.823 4.534 1.00 0.86 C ATOM 1331 CD2 LEU A 80 5.075 1.454 2.131 1.00 0.81 C ATOM 0 H LEU A 80 4.773 -2.241 4.554 1.00 0.45 H new ATOM 0 HA LEU A 80 5.988 -1.181 2.049 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.981 -0.282 4.973 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.946 0.506 3.741 1.00 0.54 H new ATOM 0 HG LEU A 80 3.961 0.085 3.368 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.662 2.412 4.234 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.327 1.341 5.491 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.395 2.477 4.633 1.00 0.86 H new ATOM 0 HD21 LEU A 80 4.197 2.033 1.844 1.00 0.81 H new ATOM 0 HD22 LEU A 80 5.933 2.119 2.228 1.00 0.81 H new ATOM 0 HD23 LEU A 80 5.281 0.705 1.366 1.00 0.81 H new