USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 7 SER OG : rot -127:sc= 0.972 USER MOD Set 1.2: A 9 THR OG1 : rot 100:sc= 0.811 USER MOD Single : A 10 GLN : amide:sc= 0.721 K(o=0.72,f=-5.2!) USER MOD Single : A 17 SER OG : rot -23:sc= 1.15 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 22 GLN : amide:sc= 1.34 K(o=1.3,f=-7.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.585 USER MOD Single : A 32 GLN : amide:sc= 0.879 K(o=0.88,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0.859) USER MOD Single : A 41 THR OG1 : rot -9:sc= 0.811 USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.651 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=-0.0022) USER MOD Single : A 59 SER OG : rot 92:sc= 1.05 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 150:sc= 0.43 USER MOD Single : A 67 CYS SG : rot -35:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 6.093 -14.748 -1.860 1.00 0.00 N ATOM 56 CA LEU A 6 6.185 -13.731 -0.820 1.00 0.00 C ATOM 57 C LEU A 6 4.828 -13.476 -0.177 1.00 0.00 C ATOM 58 O LEU A 6 3.785 -13.733 -0.780 1.00 0.00 O ATOM 59 CB LEU A 6 6.752 -12.428 -1.401 1.00 0.00 C ATOM 60 CG LEU A 6 8.146 -12.545 -2.027 1.00 0.00 C ATOM 61 CD1 LEU A 6 8.561 -11.211 -2.634 1.00 0.00 C ATOM 62 CD2 LEU A 6 9.144 -12.989 -0.967 1.00 0.00 C ATOM 0 HA LEU A 6 6.860 -14.098 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.061 -12.056 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.789 -11.681 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 6 8.125 -13.289 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.553 -11.305 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.846 -10.924 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.582 -10.448 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.135 -13.072 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.169 -12.256 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.844 -13.958 -0.567 1.00 0.00 H new ATOM 74 N SER A 7 4.847 -12.972 1.053 1.00 0.00 N ATOM 75 CA SER A 7 3.621 -12.590 1.743 1.00 0.00 C ATOM 76 C SER A 7 3.002 -11.345 1.119 1.00 0.00 C ATOM 77 O SER A 7 3.702 -10.527 0.520 1.00 0.00 O ATOM 78 CB SER A 7 3.900 -12.359 3.215 1.00 0.00 C ATOM 79 OG SER A 7 2.808 -11.780 3.875 1.00 0.00 O ATOM 0 H SER A 7 5.699 -12.819 1.592 1.00 0.00 H new ATOM 0 HA SER A 7 2.906 -13.407 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.148 -13.308 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.771 -11.713 3.321 1.00 0.00 H new ATOM 0 HG SER A 7 3.103 -10.978 4.355 1.00 0.00 H new ATOM 85 N LEU A 8 1.689 -11.206 1.264 1.00 0.00 N ATOM 86 CA LEU A 8 0.988 -10.017 0.797 1.00 0.00 C ATOM 87 C LEU A 8 1.472 -8.771 1.526 1.00 0.00 C ATOM 88 O LEU A 8 1.417 -7.664 0.990 1.00 0.00 O ATOM 89 CB LEU A 8 -0.526 -10.187 0.980 1.00 0.00 C ATOM 90 CG LEU A 8 -1.181 -11.230 0.064 1.00 0.00 C ATOM 91 CD1 LEU A 8 -2.640 -11.421 0.453 1.00 0.00 C ATOM 92 CD2 LEU A 8 -1.061 -10.781 -1.385 1.00 0.00 C ATOM 0 H LEU A 8 1.088 -11.904 1.702 1.00 0.00 H new ATOM 0 HA LEU A 8 1.205 -9.892 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.722 -10.462 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.007 -9.224 0.810 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.671 -12.187 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.097 -12.163 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.699 -11.764 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.170 -10.474 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.526 -11.522 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.562 -9.821 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.008 -10.678 -1.648 1.00 0.00 H new ATOM 104 N THR A 9 1.949 -8.957 2.753 1.00 0.00 N ATOM 105 CA THR A 9 2.506 -7.859 3.533 1.00 0.00 C ATOM 106 C THR A 9 3.905 -7.494 3.052 1.00 0.00 C ATOM 107 O THR A 9 4.370 -6.372 3.258 1.00 0.00 O ATOM 108 CB THR A 9 2.564 -8.203 5.033 1.00 0.00 C ATOM 109 OG1 THR A 9 3.421 -9.335 5.233 1.00 0.00 O ATOM 110 CG2 THR A 9 1.175 -8.525 5.560 1.00 0.00 C ATOM 0 H THR A 9 1.961 -9.859 3.228 1.00 0.00 H new ATOM 0 HA THR A 9 1.842 -7.006 3.391 1.00 0.00 H new ATOM 0 HB THR A 9 2.956 -7.341 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.302 -9.029 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.235 -8.766 6.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.524 -7.662 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.769 -9.378 5.017 1.00 0.00 H new ATOM 118 N GLN A 10 4.572 -8.447 2.409 1.00 0.00 N ATOM 119 CA GLN A 10 5.864 -8.191 1.786 1.00 0.00 C ATOM 120 C GLN A 10 5.697 -7.616 0.386 1.00 0.00 C ATOM 121 O GLN A 10 6.473 -6.761 -0.042 1.00 0.00 O ATOM 122 CB GLN A 10 6.692 -9.477 1.722 1.00 0.00 C ATOM 123 CG GLN A 10 7.140 -9.998 3.076 1.00 0.00 C ATOM 124 CD GLN A 10 7.666 -11.418 3.006 1.00 0.00 C ATOM 125 OE1 GLN A 10 7.414 -12.141 2.039 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.399 -11.829 4.034 1.00 0.00 N ATOM 0 H GLN A 10 4.238 -9.405 2.306 1.00 0.00 H new ATOM 0 HA GLN A 10 6.388 -7.458 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.105 -10.249 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.572 -9.298 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.917 -9.345 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.302 -9.958 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.583 -11.198 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.778 -12.776 4.044 1.00 0.00 H new ATOM 135 N LEU A 11 4.680 -8.090 -0.326 1.00 0.00 N ATOM 136 CA LEU A 11 4.424 -7.643 -1.690 1.00 0.00 C ATOM 137 C LEU A 11 3.992 -6.183 -1.718 1.00 0.00 C ATOM 138 O LEU A 11 4.450 -5.406 -2.557 1.00 0.00 O ATOM 139 CB LEU A 11 3.356 -8.528 -2.346 1.00 0.00 C ATOM 140 CG LEU A 11 3.812 -9.949 -2.697 1.00 0.00 C ATOM 141 CD1 LEU A 11 2.628 -10.774 -3.181 1.00 0.00 C ATOM 142 CD2 LEU A 11 4.897 -9.887 -3.763 1.00 0.00 C ATOM 0 H LEU A 11 4.019 -8.785 0.020 1.00 0.00 H new ATOM 0 HA LEU A 11 5.352 -7.730 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.499 -8.594 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.011 -8.039 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 11 4.221 -10.429 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.963 -11.781 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.874 -10.824 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.198 -10.308 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.221 -10.898 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.503 -9.402 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.746 -9.317 -3.385 1.00 0.00 H new ATOM 154 N ILE A 12 3.108 -5.813 -0.797 1.00 0.00 N ATOM 155 CA ILE A 12 2.660 -4.431 -0.677 1.00 0.00 C ATOM 156 C ILE A 12 3.812 -3.508 -0.304 1.00 0.00 C ATOM 157 O ILE A 12 3.968 -2.430 -0.878 1.00 0.00 O ATOM 158 CB ILE A 12 1.541 -4.290 0.372 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.262 -4.975 -0.116 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.280 -2.823 0.678 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.791 -5.136 0.957 1.00 0.00 C ATOM 0 H ILE A 12 2.688 -6.452 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 12 2.270 -4.142 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 12 1.864 -4.779 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.157 -4.397 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.516 -5.958 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.487 -2.742 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.189 -2.365 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.977 -2.309 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.667 -5.629 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.391 -5.740 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.075 -4.155 1.338 1.00 0.00 H new ATOM 173 N LEU A 13 4.619 -3.936 0.661 1.00 0.00 N ATOM 174 CA LEU A 13 5.810 -3.192 1.052 1.00 0.00 C ATOM 175 C LEU A 13 6.716 -2.933 -0.145 1.00 0.00 C ATOM 176 O LEU A 13 7.171 -1.810 -0.361 1.00 0.00 O ATOM 177 CB LEU A 13 6.574 -3.948 2.146 1.00 0.00 C ATOM 178 CG LEU A 13 7.614 -3.118 2.908 1.00 0.00 C ATOM 179 CD1 LEU A 13 8.123 -3.900 4.112 1.00 0.00 C ATOM 180 CD2 LEU A 13 8.759 -2.754 1.976 1.00 0.00 C ATOM 0 H LEU A 13 4.469 -4.797 1.188 1.00 0.00 H new ATOM 0 HA LEU A 13 5.491 -2.227 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.854 -4.345 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.076 -4.802 1.692 1.00 0.00 H new ATOM 0 HG LEU A 13 7.153 -2.198 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.861 -3.303 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.290 -4.128 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.583 -4.829 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.497 -2.164 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.227 -3.664 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.375 -2.172 1.138 1.00 0.00 H new ATOM 192 N ILE A 14 6.974 -3.980 -0.923 1.00 0.00 N ATOM 193 CA ILE A 14 7.817 -3.866 -2.107 1.00 0.00 C ATOM 194 C ILE A 14 7.216 -2.901 -3.121 1.00 0.00 C ATOM 195 O ILE A 14 7.923 -2.085 -3.710 1.00 0.00 O ATOM 196 CB ILE A 14 8.034 -5.234 -2.780 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.906 -6.131 -1.896 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.665 -5.057 -4.153 1.00 0.00 C ATOM 199 CD1 ILE A 14 8.919 -7.581 -2.324 1.00 0.00 C ATOM 0 H ILE A 14 6.610 -4.918 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 14 8.780 -3.481 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 14 7.065 -5.716 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.927 -5.750 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.550 -6.068 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.811 -6.033 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.008 -4.454 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.628 -4.557 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.557 -8.153 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.905 -7.980 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.304 -7.657 -3.341 1.00 0.00 H new ATOM 211 N ARG A 15 5.905 -3.000 -3.319 1.00 0.00 N ATOM 212 CA ARG A 15 5.205 -2.134 -4.259 1.00 0.00 C ATOM 213 C ARG A 15 5.267 -0.677 -3.817 1.00 0.00 C ATOM 214 O ARG A 15 5.379 0.229 -4.642 1.00 0.00 O ATOM 215 CB ARG A 15 3.771 -2.582 -4.496 1.00 0.00 C ATOM 216 CG ARG A 15 2.969 -1.696 -5.435 1.00 0.00 C ATOM 217 CD ARG A 15 3.463 -1.686 -6.837 1.00 0.00 C ATOM 218 NE ARG A 15 2.761 -0.765 -7.716 1.00 0.00 N ATOM 219 CZ ARG A 15 3.004 -0.629 -9.034 1.00 0.00 C ATOM 220 NH1 ARG A 15 3.951 -1.325 -9.623 1.00 0.00 N ATOM 221 NH2 ARG A 15 2.278 0.240 -9.717 1.00 0.00 N ATOM 0 H ARG A 15 5.306 -3.673 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 15 5.722 -2.217 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.784 -3.595 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.257 -2.628 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.931 -2.028 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.980 -0.676 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.522 -1.430 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.380 -2.693 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 15 2.033 -0.180 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.515 -1.980 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.122 -1.210 -10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.557 0.785 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.439 0.365 -10.716 1.00 0.00 H new ATOM 235 N LEU A 16 5.195 -0.458 -2.509 1.00 0.00 N ATOM 236 CA LEU A 16 5.170 0.892 -1.957 1.00 0.00 C ATOM 237 C LEU A 16 6.581 1.439 -1.781 1.00 0.00 C ATOM 238 O LEU A 16 6.776 2.647 -1.650 1.00 0.00 O ATOM 239 CB LEU A 16 4.422 0.905 -0.619 1.00 0.00 C ATOM 240 CG LEU A 16 2.929 0.554 -0.701 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.313 0.568 0.690 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.225 1.546 -1.614 1.00 0.00 C ATOM 0 H LEU A 16 5.153 -1.199 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 16 4.644 1.536 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.908 0.201 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.522 1.895 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 16 2.812 -0.448 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.254 0.318 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.819 -0.164 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.424 1.560 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.165 1.298 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.340 2.553 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.665 1.499 -2.610 1.00 0.00 H new ATOM 254 N SER A 17 7.562 0.544 -1.779 1.00 0.00 N ATOM 255 CA SER A 17 8.965 0.943 -1.764 1.00 0.00 C ATOM 256 C SER A 17 9.443 1.323 -3.160 1.00 0.00 C ATOM 257 O SER A 17 10.473 1.979 -3.316 1.00 0.00 O ATOM 258 CB SER A 17 9.819 -0.174 -1.199 1.00 0.00 C ATOM 259 OG SER A 17 9.882 -1.277 -2.061 1.00 0.00 O ATOM 0 H SER A 17 7.412 -0.465 -1.788 1.00 0.00 H new ATOM 0 HA SER A 17 9.062 1.821 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.826 0.199 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.414 -0.489 -0.237 1.00 0.00 H new ATOM 0 HG SER A 17 9.101 -1.274 -2.653 1.00 0.00 H new ATOM 265 N ASN A 18 8.689 0.907 -4.172 1.00 0.00 N ATOM 266 CA ASN A 18 9.005 1.250 -5.554 1.00 0.00 C ATOM 267 C ASN A 18 8.233 2.484 -6.004 1.00 0.00 C ATOM 268 O ASN A 18 8.794 3.386 -6.627 1.00 0.00 O ATOM 269 CB ASN A 18 8.730 0.088 -6.490 1.00 0.00 C ATOM 270 CG ASN A 18 9.656 -1.080 -6.294 1.00 0.00 C ATOM 271 OD1 ASN A 18 10.768 -0.936 -5.775 1.00 0.00 O ATOM 272 ND2 ASN A 18 9.235 -2.221 -6.779 1.00 0.00 N ATOM 0 H ASN A 18 7.854 0.331 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 18 10.071 1.475 -5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.703 -0.247 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.811 0.436 -7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.835 -3.045 -6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.307 -2.286 -7.197 1.00 0.00 H new ATOM 279 N ARG A 19 6.944 2.518 -5.685 1.00 0.00 N ATOM 280 CA ARG A 19 6.082 3.620 -6.097 1.00 0.00 C ATOM 281 C ARG A 19 6.071 4.729 -5.053 1.00 0.00 C ATOM 282 O ARG A 19 6.082 5.912 -5.391 1.00 0.00 O ATOM 283 CB ARG A 19 4.673 3.153 -6.429 1.00 0.00 C ATOM 284 CG ARG A 19 4.571 2.230 -7.631 1.00 0.00 C ATOM 285 CD ARG A 19 4.915 2.871 -8.926 1.00 0.00 C ATOM 286 NE ARG A 19 3.940 3.843 -9.394 1.00 0.00 N ATOM 287 CZ ARG A 19 4.171 4.753 -10.360 1.00 0.00 C ATOM 288 NH1 ARG A 19 5.349 4.845 -10.937 1.00 0.00 N ATOM 289 NH2 ARG A 19 3.187 5.568 -10.698 1.00 0.00 N ATOM 0 H ARG A 19 6.473 1.795 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 19 6.502 4.030 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.262 2.640 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.049 4.028 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.230 1.376 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.554 1.841 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.882 3.364 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.028 2.095 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 19 3.017 3.835 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.105 4.221 -10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.507 5.540 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.283 5.497 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.332 6.268 -11.426 1.00 0.00 H new ATOM 303 N GLY A 20 6.049 4.340 -3.783 1.00 0.00 N ATOM 304 CA GLY A 20 5.980 5.300 -2.687 1.00 0.00 C ATOM 305 C GLY A 20 4.601 5.300 -2.041 1.00 0.00 C ATOM 306 O GLY A 20 4.477 5.387 -0.819 1.00 0.00 O ATOM 0 H GLY A 20 6.078 3.364 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.735 5.057 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.210 6.298 -3.059 1.00 0.00 H new ATOM 310 N CYS A 21 3.566 5.201 -2.867 1.00 0.00 N ATOM 311 CA CYS A 21 2.190 5.239 -2.382 1.00 0.00 C ATOM 312 C CYS A 21 1.218 4.736 -3.442 1.00 0.00 C ATOM 313 O CYS A 21 1.216 5.217 -4.575 1.00 0.00 O ATOM 314 CB CYS A 21 1.970 6.728 -2.112 1.00 0.00 C ATOM 315 SG CYS A 21 0.319 7.140 -1.497 1.00 0.00 S ATOM 0 H CYS A 21 3.653 5.094 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 21 2.025 4.606 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.710 7.066 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.150 7.282 -3.033 1.00 0.00 H new ATOM 0 HG CYS A 21 0.237 8.422 -1.299 1.00 0.00 H new ATOM 321 N GLN A 22 0.393 3.766 -3.067 1.00 0.00 N ATOM 322 CA GLN A 22 -0.556 3.163 -3.996 1.00 0.00 C ATOM 323 C GLN A 22 -1.947 3.077 -3.385 1.00 0.00 C ATOM 324 O GLN A 22 -2.108 3.170 -2.168 1.00 0.00 O ATOM 325 CB GLN A 22 -0.085 1.766 -4.412 1.00 0.00 C ATOM 326 CG GLN A 22 1.186 1.758 -5.243 1.00 0.00 C ATOM 327 CD GLN A 22 0.944 2.203 -6.673 1.00 0.00 C ATOM 328 OE1 GLN A 22 0.830 1.378 -7.584 1.00 0.00 O ATOM 329 NE2 GLN A 22 0.870 3.512 -6.882 1.00 0.00 N ATOM 0 H GLN A 22 0.362 3.379 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.607 3.801 -4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.077 1.168 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.879 1.281 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.923 2.414 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.610 0.754 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.970 4.160 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.713 3.870 -7.824 1.00 0.00 H new ATOM 338 N THR A 23 -2.952 2.898 -4.236 1.00 0.00 N ATOM 339 CA THR A 23 -4.307 2.625 -3.774 1.00 0.00 C ATOM 340 C THR A 23 -4.528 1.132 -3.566 1.00 0.00 C ATOM 341 O THR A 23 -3.687 0.312 -3.936 1.00 0.00 O ATOM 342 CB THR A 23 -5.359 3.155 -4.767 1.00 0.00 C ATOM 343 OG1 THR A 23 -5.302 2.394 -5.980 1.00 0.00 O ATOM 344 CG2 THR A 23 -5.107 4.621 -5.079 1.00 0.00 C ATOM 0 H THR A 23 -2.853 2.937 -5.250 1.00 0.00 H new ATOM 0 HA THR A 23 -4.425 3.143 -2.822 1.00 0.00 H new ATOM 0 HB THR A 23 -6.346 3.056 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.973 2.731 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.860 4.978 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.164 5.204 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.116 4.734 -5.520 1.00 0.00 H new ATOM 352 N LEU A 24 -5.664 0.784 -2.972 1.00 0.00 N ATOM 353 CA LEU A 24 -6.059 -0.613 -2.829 1.00 0.00 C ATOM 354 C LEU A 24 -6.152 -1.299 -4.186 1.00 0.00 C ATOM 355 O LEU A 24 -5.758 -2.456 -4.336 1.00 0.00 O ATOM 356 CB LEU A 24 -7.396 -0.714 -2.087 1.00 0.00 C ATOM 357 CG LEU A 24 -7.919 -2.139 -1.871 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.959 -2.917 -0.980 1.00 0.00 C ATOM 359 CD2 LEU A 24 -9.306 -2.085 -1.250 1.00 0.00 C ATOM 0 H LEU A 24 -6.329 1.451 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.293 -1.123 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.291 -0.232 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.145 -0.150 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.986 -2.651 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.338 -3.928 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.979 -2.963 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.872 -2.417 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.676 -3.099 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.256 -1.569 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.982 -1.548 -1.916 1.00 0.00 H new ATOM 371 N GLU A 25 -6.676 -0.580 -5.172 1.00 0.00 N ATOM 372 CA GLU A 25 -6.859 -1.131 -6.510 1.00 0.00 C ATOM 373 C GLU A 25 -5.524 -1.314 -7.219 1.00 0.00 C ATOM 374 O GLU A 25 -5.320 -2.295 -7.935 1.00 0.00 O ATOM 375 CB GLU A 25 -7.778 -0.231 -7.340 1.00 0.00 C ATOM 376 CG GLU A 25 -9.231 -0.225 -6.885 1.00 0.00 C ATOM 377 CD GLU A 25 -10.050 0.751 -7.684 1.00 0.00 C ATOM 378 OE1 GLU A 25 -9.486 1.437 -8.504 1.00 0.00 O ATOM 379 OE2 GLU A 25 -11.250 0.733 -7.556 1.00 0.00 O ATOM 0 H GLU A 25 -6.982 0.388 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.325 -2.111 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.395 0.789 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.737 -0.552 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.651 -1.226 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.282 0.034 -5.828 1.00 0.00 H new ATOM 386 N GLU A 26 -4.618 -0.363 -7.017 1.00 0.00 N ATOM 387 CA GLU A 26 -3.275 -0.455 -7.576 1.00 0.00 C ATOM 388 C GLU A 26 -2.484 -1.582 -6.926 1.00 0.00 C ATOM 389 O GLU A 26 -1.675 -2.242 -7.580 1.00 0.00 O ATOM 390 CB GLU A 26 -2.533 0.873 -7.408 1.00 0.00 C ATOM 391 CG GLU A 26 -3.045 1.997 -8.298 1.00 0.00 C ATOM 392 CD GLU A 26 -2.313 3.282 -8.030 1.00 0.00 C ATOM 393 OE1 GLU A 26 -2.263 3.689 -6.894 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.710 3.801 -8.941 1.00 0.00 O ATOM 0 H GLU A 26 -4.790 0.481 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.371 -0.675 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.608 1.188 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.475 0.713 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.924 1.719 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.112 2.141 -8.128 1.00 0.00 H new ATOM 401 N LEU A 27 -2.719 -1.798 -5.638 1.00 0.00 N ATOM 402 CA LEU A 27 -2.128 -2.927 -4.929 1.00 0.00 C ATOM 403 C LEU A 27 -2.802 -4.237 -5.318 1.00 0.00 C ATOM 404 O LEU A 27 -2.177 -5.297 -5.298 1.00 0.00 O ATOM 405 CB LEU A 27 -2.222 -2.708 -3.413 1.00 0.00 C ATOM 406 CG LEU A 27 -1.356 -1.569 -2.863 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.691 -1.319 -1.399 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.115 -1.924 -3.026 1.00 0.00 C ATOM 0 H LEU A 27 -3.316 -1.205 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.078 -2.993 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.262 -2.509 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.940 -3.633 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.560 -0.655 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.071 -0.508 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.742 -1.046 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.500 -2.224 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.730 -1.114 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.331 -2.841 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.339 -2.072 -4.083 1.00 0.00 H new ATOM 420 N GLU A 28 -4.080 -4.156 -5.673 1.00 0.00 N ATOM 421 CA GLU A 28 -4.809 -5.313 -6.180 1.00 0.00 C ATOM 422 C GLU A 28 -4.226 -5.795 -7.502 1.00 0.00 C ATOM 423 O GLU A 28 -4.147 -6.998 -7.754 1.00 0.00 O ATOM 424 CB GLU A 28 -6.292 -4.979 -6.351 1.00 0.00 C ATOM 425 CG GLU A 28 -7.145 -6.139 -6.844 1.00 0.00 C ATOM 426 CD GLU A 28 -8.559 -5.702 -7.111 1.00 0.00 C ATOM 427 OE1 GLU A 28 -8.839 -4.538 -6.962 1.00 0.00 O ATOM 428 OE2 GLU A 28 -9.332 -6.508 -7.572 1.00 0.00 O ATOM 0 H GLU A 28 -4.633 -3.300 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.709 -6.116 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.687 -4.634 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.387 -4.150 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.711 -6.551 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.143 -6.937 -6.101 1.00 0.00 H new ATOM 435 N GLU A 29 -3.817 -4.851 -8.343 1.00 0.00 N ATOM 436 CA GLU A 29 -3.191 -5.180 -9.617 1.00 0.00 C ATOM 437 C GLU A 29 -1.858 -5.887 -9.410 1.00 0.00 C ATOM 438 O GLU A 29 -1.531 -6.836 -10.123 1.00 0.00 O ATOM 439 CB GLU A 29 -2.991 -3.915 -10.458 1.00 0.00 C ATOM 440 CG GLU A 29 -4.278 -3.313 -11.003 1.00 0.00 C ATOM 441 CD GLU A 29 -4.022 -1.994 -11.675 1.00 0.00 C ATOM 442 OE1 GLU A 29 -2.902 -1.541 -11.648 1.00 0.00 O ATOM 443 OE2 GLU A 29 -4.916 -1.491 -12.313 1.00 0.00 O ATOM 0 H GLU A 29 -3.908 -3.851 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.857 -5.859 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.483 -3.166 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.331 -4.149 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.733 -4.003 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.991 -3.177 -10.190 1.00 0.00 H new ATOM 450 N PHE A 30 -1.092 -5.419 -8.431 1.00 0.00 N ATOM 451 CA PHE A 30 0.229 -5.974 -8.161 1.00 0.00 C ATOM 452 C PHE A 30 0.129 -7.378 -7.579 1.00 0.00 C ATOM 453 O PHE A 30 0.827 -8.292 -8.014 1.00 0.00 O ATOM 454 CB PHE A 30 1.006 -5.064 -7.206 1.00 0.00 C ATOM 455 CG PHE A 30 2.406 -5.533 -6.926 1.00 0.00 C ATOM 456 CD1 PHE A 30 3.414 -5.346 -7.858 1.00 0.00 C ATOM 457 CD2 PHE A 30 2.714 -6.164 -5.731 1.00 0.00 C ATOM 458 CE1 PHE A 30 4.702 -5.778 -7.601 1.00 0.00 C ATOM 459 CE2 PHE A 30 4.000 -6.594 -5.471 1.00 0.00 C ATOM 460 CZ PHE A 30 4.996 -6.402 -6.407 1.00 0.00 C ATOM 0 H PHE A 30 -1.363 -4.656 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 30 0.765 -6.035 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.047 -4.060 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.462 -4.992 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.191 -4.858 -8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.939 -6.321 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.479 -5.627 -8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.227 -7.081 -4.534 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.002 -6.739 -6.205 1.00 0.00 H new ATOM 470 N THR A 31 -0.748 -7.543 -6.593 1.00 0.00 N ATOM 471 CA THR A 31 -0.841 -8.796 -5.853 1.00 0.00 C ATOM 472 C THR A 31 -1.831 -9.750 -6.508 1.00 0.00 C ATOM 473 O THR A 31 -1.708 -10.969 -6.385 1.00 0.00 O ATOM 474 CB THR A 31 -1.263 -8.559 -4.391 1.00 0.00 C ATOM 475 OG1 THR A 31 -2.579 -7.991 -4.356 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.290 -7.614 -3.703 1.00 0.00 C ATOM 0 H THR A 31 -1.404 -6.824 -6.288 1.00 0.00 H new ATOM 0 HA THR A 31 0.153 -9.243 -5.867 1.00 0.00 H new ATOM 0 HB THR A 31 -1.258 -9.515 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.545 -7.066 -4.678 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.603 -7.457 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.710 -8.048 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.278 -6.659 -4.227 1.00 0.00 H new ATOM 484 N GLN A 32 -2.813 -9.189 -7.205 1.00 0.00 N ATOM 485 CA GLN A 32 -3.954 -9.963 -7.681 1.00 0.00 C ATOM 486 C GLN A 32 -4.641 -10.693 -6.532 1.00 0.00 C ATOM 487 O GLN A 32 -5.133 -11.809 -6.700 1.00 0.00 O ATOM 488 CB GLN A 32 -3.512 -10.972 -8.744 1.00 0.00 C ATOM 489 CG GLN A 32 -2.947 -10.340 -10.004 1.00 0.00 C ATOM 490 CD GLN A 32 -4.004 -9.601 -10.804 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.080 -10.136 -11.080 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.698 -8.366 -11.187 1.00 0.00 N ATOM 0 H GLN A 32 -2.842 -8.200 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.666 -9.266 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.759 -11.631 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.364 -11.595 -9.014 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.150 -9.648 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.499 -11.115 -10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.795 -7.963 -10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.366 -7.821 -11.732 1.00 0.00 H new ATOM 501 N ALA A 33 -4.671 -10.057 -5.367 1.00 0.00 N ATOM 502 CA ALA A 33 -5.326 -10.630 -4.198 1.00 0.00 C ATOM 503 C ALA A 33 -6.694 -10.001 -3.966 1.00 0.00 C ATOM 504 O ALA A 33 -7.007 -8.953 -4.531 1.00 0.00 O ATOM 505 CB ALA A 33 -4.448 -10.467 -2.965 1.00 0.00 C ATOM 0 H ALA A 33 -4.248 -9.143 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.475 -11.694 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.951 -10.900 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.498 -10.977 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.266 -9.407 -2.786 1.00 0.00 H new ATOM 511 N LYS A 34 -7.503 -10.645 -3.133 1.00 0.00 N ATOM 512 CA LYS A 34 -8.817 -10.121 -2.784 1.00 0.00 C ATOM 513 C LYS A 34 -8.703 -8.807 -2.023 1.00 0.00 C ATOM 514 O LYS A 34 -7.814 -8.639 -1.187 1.00 0.00 O ATOM 515 CB LYS A 34 -9.598 -11.143 -1.955 1.00 0.00 C ATOM 516 CG LYS A 34 -11.042 -10.750 -1.670 1.00 0.00 C ATOM 517 CD LYS A 34 -11.732 -11.782 -0.790 1.00 0.00 C ATOM 518 CE LYS A 34 -13.218 -11.482 -0.646 1.00 0.00 C ATOM 519 NZ LYS A 34 -13.875 -12.388 0.334 1.00 0.00 N ATOM 0 H LYS A 34 -7.271 -11.532 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.356 -9.931 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.591 -12.099 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.082 -11.295 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.066 -9.777 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.586 -10.648 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.599 -12.775 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.264 -11.794 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.350 -10.447 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.704 -11.583 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.907 -12.344 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.549 -13.363 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.629 -12.091 1.300 1.00 0.00 H new ATOM 533 N ARG A 35 -9.605 -7.877 -2.316 1.00 0.00 N ATOM 534 CA ARG A 35 -9.608 -6.577 -1.658 1.00 0.00 C ATOM 535 C ARG A 35 -9.734 -6.726 -0.148 1.00 0.00 C ATOM 536 O ARG A 35 -9.021 -6.070 0.611 1.00 0.00 O ATOM 537 CB ARG A 35 -10.677 -5.652 -2.219 1.00 0.00 C ATOM 538 CG ARG A 35 -10.402 -5.131 -3.621 1.00 0.00 C ATOM 539 CD ARG A 35 -11.479 -4.271 -4.176 1.00 0.00 C ATOM 540 NE ARG A 35 -11.272 -3.865 -5.556 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.157 -3.159 -6.287 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.324 -2.813 -5.790 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.832 -2.844 -7.529 1.00 0.00 N ATOM 0 H ARG A 35 -10.345 -8.000 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.647 -6.108 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.629 -6.182 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.790 -4.801 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.471 -4.565 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.251 -5.980 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.426 -4.805 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.570 -3.378 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.395 -4.133 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.572 -3.079 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.982 -2.279 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.932 -3.135 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.482 -2.310 -8.106 1.00 0.00 H new ATOM 557 N GLU A 36 -10.647 -7.590 0.283 1.00 0.00 N ATOM 558 CA GLU A 36 -10.824 -7.874 1.702 1.00 0.00 C ATOM 559 C GLU A 36 -9.514 -8.309 2.345 1.00 0.00 C ATOM 560 O GLU A 36 -9.119 -7.786 3.386 1.00 0.00 O ATOM 561 CB GLU A 36 -11.892 -8.951 1.903 1.00 0.00 C ATOM 562 CG GLU A 36 -12.157 -9.309 3.358 1.00 0.00 C ATOM 563 CD GLU A 36 -13.232 -10.353 3.477 1.00 0.00 C ATOM 564 OE1 GLU A 36 -13.079 -11.405 2.902 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.153 -10.147 4.232 1.00 0.00 O ATOM 0 H GLU A 36 -11.277 -8.106 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.152 -6.955 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.823 -8.611 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.588 -9.851 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.239 -9.675 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.453 -8.415 3.907 1.00 0.00 H new ATOM 572 N VAL A 37 -8.844 -9.269 1.718 1.00 0.00 N ATOM 573 CA VAL A 37 -7.600 -9.811 2.252 1.00 0.00 C ATOM 574 C VAL A 37 -6.503 -8.752 2.272 1.00 0.00 C ATOM 575 O VAL A 37 -5.723 -8.670 3.222 1.00 0.00 O ATOM 576 CB VAL A 37 -7.114 -11.023 1.437 1.00 0.00 C ATOM 577 CG1 VAL A 37 -5.732 -11.457 1.900 1.00 0.00 C ATOM 578 CG2 VAL A 37 -8.100 -12.175 1.555 1.00 0.00 C ATOM 0 H VAL A 37 -9.142 -9.689 0.837 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.810 -10.133 3.272 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.050 -10.729 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.404 -12.315 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.029 -10.635 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.771 -11.732 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.740 -13.023 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.195 -12.467 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.073 -11.861 1.176 1.00 0.00 H new ATOM 588 N LEU A 38 -6.449 -7.943 1.219 1.00 0.00 N ATOM 589 CA LEU A 38 -5.453 -6.884 1.117 1.00 0.00 C ATOM 590 C LEU A 38 -5.651 -5.835 2.204 1.00 0.00 C ATOM 591 O LEU A 38 -4.685 -5.305 2.752 1.00 0.00 O ATOM 592 CB LEU A 38 -5.511 -6.234 -0.270 1.00 0.00 C ATOM 593 CG LEU A 38 -4.938 -7.081 -1.414 1.00 0.00 C ATOM 594 CD1 LEU A 38 -5.233 -6.419 -2.753 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.439 -7.254 -1.216 1.00 0.00 C ATOM 0 H LEU A 38 -7.085 -8.001 0.423 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.469 -7.330 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.550 -5.998 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.970 -5.289 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.408 -8.064 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.822 -7.028 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.311 -6.325 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.777 -5.429 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.032 -7.856 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.957 -6.276 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.253 -7.754 -0.266 1.00 0.00 H new ATOM 607 N LEU A 39 -6.910 -5.541 2.512 1.00 0.00 N ATOM 608 CA LEU A 39 -7.237 -4.591 3.568 1.00 0.00 C ATOM 609 C LEU A 39 -6.784 -5.103 4.929 1.00 0.00 C ATOM 610 O LEU A 39 -6.373 -4.325 5.790 1.00 0.00 O ATOM 611 CB LEU A 39 -8.745 -4.310 3.579 1.00 0.00 C ATOM 612 CG LEU A 39 -9.257 -3.449 2.418 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.781 -3.434 2.411 1.00 0.00 C ATOM 614 CD2 LEU A 39 -8.704 -2.037 2.548 1.00 0.00 C ATOM 0 H LEU A 39 -7.721 -5.947 2.045 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.704 -3.662 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.276 -5.262 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.000 -3.816 4.517 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.916 -3.873 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.135 -2.820 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.154 -4.451 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.145 -3.020 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.069 -1.426 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.032 -1.603 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.615 -2.069 2.522 1.00 0.00 H new ATOM 626 N VAL A 40 -6.861 -6.416 5.117 1.00 0.00 N ATOM 627 CA VAL A 40 -6.352 -7.047 6.328 1.00 0.00 C ATOM 628 C VAL A 40 -4.839 -6.905 6.430 1.00 0.00 C ATOM 629 O VAL A 40 -4.304 -6.592 7.495 1.00 0.00 O ATOM 630 CB VAL A 40 -6.722 -8.542 6.385 1.00 0.00 C ATOM 631 CG1 VAL A 40 -6.000 -9.226 7.536 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.227 -8.713 6.524 1.00 0.00 C ATOM 0 H VAL A 40 -7.272 -7.064 4.445 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.819 -6.534 7.169 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.406 -9.011 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.273 -10.281 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.923 -9.133 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.286 -8.755 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.471 -9.775 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.565 -8.230 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.726 -8.257 5.668 1.00 0.00 H new ATOM 642 N THR A 41 -4.151 -7.136 5.318 1.00 0.00 N ATOM 643 CA THR A 41 -2.696 -7.064 5.287 1.00 0.00 C ATOM 644 C THR A 41 -2.214 -5.619 5.313 1.00 0.00 C ATOM 645 O THR A 41 -1.098 -5.334 5.743 1.00 0.00 O ATOM 646 CB THR A 41 -2.121 -7.762 4.041 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.647 -7.146 2.858 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.486 -9.240 4.042 1.00 0.00 C ATOM 0 H THR A 41 -4.579 -7.375 4.424 1.00 0.00 H new ATOM 0 HA THR A 41 -2.339 -7.579 6.179 1.00 0.00 H new ATOM 0 HB THR A 41 -1.035 -7.665 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.358 -6.518 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.072 -9.718 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.077 -9.715 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.571 -9.347 4.039 1.00 0.00 H new ATOM 656 N LEU A 42 -3.066 -4.709 4.849 1.00 0.00 N ATOM 657 CA LEU A 42 -2.802 -3.281 4.975 1.00 0.00 C ATOM 658 C LEU A 42 -2.946 -2.819 6.418 1.00 0.00 C ATOM 659 O LEU A 42 -2.181 -1.976 6.889 1.00 0.00 O ATOM 660 CB LEU A 42 -3.748 -2.485 4.064 1.00 0.00 C ATOM 661 CG LEU A 42 -3.432 -2.567 2.565 1.00 0.00 C ATOM 662 CD1 LEU A 42 -4.589 -1.996 1.756 1.00 0.00 C ATOM 663 CD2 LEU A 42 -2.146 -1.809 2.275 1.00 0.00 C ATOM 0 H LEU A 42 -3.944 -4.936 4.383 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.773 -3.099 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.766 -2.840 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.724 -1.438 4.368 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.297 -3.610 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.356 -2.058 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.494 -2.567 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.746 -0.953 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.922 -1.867 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.266 -0.765 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.327 -2.251 2.843 1.00 0.00 H new ATOM 675 N THR A 43 -3.927 -3.375 7.119 1.00 0.00 N ATOM 676 CA THR A 43 -4.066 -3.155 8.553 1.00 0.00 C ATOM 677 C THR A 43 -2.865 -3.705 9.314 1.00 0.00 C ATOM 678 O THR A 43 -2.392 -3.093 10.271 1.00 0.00 O ATOM 679 CB THR A 43 -5.349 -3.805 9.103 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.495 -3.203 8.484 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.437 -3.620 10.610 1.00 0.00 C ATOM 0 H THR A 43 -4.640 -3.983 6.716 1.00 0.00 H new ATOM 0 HA THR A 43 -4.124 -2.077 8.700 1.00 0.00 H new ATOM 0 HB THR A 43 -5.323 -4.871 8.879 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.563 -3.507 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.350 -4.086 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.573 -4.086 11.085 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.451 -2.556 10.846 1.00 0.00 H new ATOM 689 N ARG A 44 -2.378 -4.862 8.881 1.00 0.00 N ATOM 690 CA ARG A 44 -1.178 -5.454 9.462 1.00 0.00 C ATOM 691 C ARG A 44 0.023 -4.530 9.301 1.00 0.00 C ATOM 692 O ARG A 44 0.756 -4.276 10.257 1.00 0.00 O ATOM 693 CB ARG A 44 -0.894 -6.840 8.905 1.00 0.00 C ATOM 694 CG ARG A 44 -1.862 -7.921 9.358 1.00 0.00 C ATOM 695 CD ARG A 44 -1.644 -9.245 8.720 1.00 0.00 C ATOM 696 NE ARG A 44 -2.598 -10.269 9.114 1.00 0.00 N ATOM 697 CZ ARG A 44 -2.628 -11.519 8.614 1.00 0.00 C ATOM 698 NH1 ARG A 44 -1.790 -11.893 7.673 1.00 0.00 N ATOM 699 NH2 ARG A 44 -3.543 -12.354 9.076 1.00 0.00 N ATOM 0 H ARG A 44 -2.796 -5.410 8.129 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.365 -5.577 10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.912 -6.789 7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.116 -7.132 9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.781 -8.034 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.880 -7.592 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.687 -9.124 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.639 -9.590 8.963 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.293 -10.023 9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.103 -11.232 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.827 -12.844 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.201 -12.045 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.591 -13.308 8.717 1.00 0.00 H new ATOM 713 N LEU A 45 0.222 -4.032 8.085 1.00 0.00 N ATOM 714 CA LEU A 45 1.350 -3.157 7.790 1.00 0.00 C ATOM 715 C LEU A 45 1.173 -1.792 8.443 1.00 0.00 C ATOM 716 O LEU A 45 2.146 -1.077 8.680 1.00 0.00 O ATOM 717 CB LEU A 45 1.520 -3.005 6.273 1.00 0.00 C ATOM 718 CG LEU A 45 2.012 -4.261 5.543 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.002 -4.028 4.038 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.411 -4.616 6.025 1.00 0.00 C ATOM 0 H LEU A 45 -0.385 -4.220 7.287 1.00 0.00 H new ATOM 0 HA LEU A 45 2.250 -3.613 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.563 -2.706 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.223 -2.194 6.081 1.00 0.00 H new ATOM 0 HG LEU A 45 1.344 -5.094 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.353 -4.925 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.987 -3.799 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.658 -3.193 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.759 -5.509 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.088 -3.788 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.389 -4.806 7.098 1.00 0.00 H new ATOM 732 N HIS A 46 -0.074 -1.436 8.731 1.00 0.00 N ATOM 733 CA HIS A 46 -0.372 -0.202 9.447 1.00 0.00 C ATOM 734 C HIS A 46 0.004 -0.313 10.919 1.00 0.00 C ATOM 735 O HIS A 46 0.629 0.587 11.479 1.00 0.00 O ATOM 736 CB HIS A 46 -1.857 0.156 9.313 1.00 0.00 C ATOM 737 CG HIS A 46 -2.222 1.458 9.957 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.836 2.677 9.442 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.935 1.729 11.075 1.00 0.00 C ATOM 740 CE1 HIS A 46 -2.300 3.644 10.217 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.969 3.095 11.212 1.00 0.00 N ATOM 0 H HIS A 46 -0.895 -1.986 8.479 1.00 0.00 H new ATOM 0 HA HIS A 46 0.226 0.591 8.999 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.118 0.198 8.255 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.455 -0.640 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.392 1.007 11.735 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.155 4.703 10.061 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.437 3.603 11.963 1.00 0.00 H new ATOM 749 N GLN A 47 -0.378 -1.423 11.540 1.00 0.00 N ATOM 750 CA GLN A 47 -0.075 -1.659 12.947 1.00 0.00 C ATOM 751 C GLN A 47 1.401 -1.977 13.145 1.00 0.00 C ATOM 752 O GLN A 47 1.961 -1.735 14.214 1.00 0.00 O ATOM 753 CB GLN A 47 -0.929 -2.803 13.495 1.00 0.00 C ATOM 754 CG GLN A 47 -2.405 -2.468 13.635 1.00 0.00 C ATOM 755 CD GLN A 47 -3.223 -3.646 14.128 1.00 0.00 C ATOM 756 OE1 GLN A 47 -2.692 -4.738 14.351 1.00 0.00 O ATOM 757 NE2 GLN A 47 -4.523 -3.433 14.296 1.00 0.00 N ATOM 0 H GLN A 47 -0.899 -2.175 11.090 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.308 -0.746 13.494 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.825 -3.666 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.541 -3.096 14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.521 -1.634 14.327 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.793 -2.138 12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.919 -2.514 14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.126 -4.189 14.622 1.00 0.00 H new ATOM 766 N ARG A 48 2.029 -2.524 12.109 1.00 0.00 N ATOM 767 CA ARG A 48 3.456 -2.817 12.144 1.00 0.00 C ATOM 768 C ARG A 48 4.282 -1.538 12.092 1.00 0.00 C ATOM 769 O ARG A 48 5.440 -1.517 12.509 1.00 0.00 O ATOM 770 CB ARG A 48 3.870 -3.791 11.052 1.00 0.00 C ATOM 771 CG ARG A 48 3.464 -5.236 11.298 1.00 0.00 C ATOM 772 CD ARG A 48 3.751 -6.154 10.165 1.00 0.00 C ATOM 773 NE ARG A 48 3.307 -7.523 10.371 1.00 0.00 N ATOM 774 CZ ARG A 48 3.257 -8.464 9.409 1.00 0.00 C ATOM 775 NH1 ARG A 48 3.587 -8.182 8.168 1.00 0.00 N ATOM 776 NH2 ARG A 48 2.844 -9.675 9.741 1.00 0.00 N ATOM 0 H ARG A 48 1.570 -2.774 11.233 1.00 0.00 H new ATOM 0 HA ARG A 48 3.658 -3.308 13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.436 -3.462 10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.953 -3.747 10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.982 -5.600 12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.396 -5.269 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.274 -5.762 9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.825 -6.158 9.980 1.00 0.00 H new ATOM 0 HE ARG A 48 3.013 -7.790 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.887 -7.239 7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.544 -8.907 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.574 -9.876 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.795 -10.409 9.034 1.00 0.00 H new ATOM 790 N GLY A 49 3.680 -0.471 11.576 1.00 0.00 N ATOM 791 CA GLY A 49 4.381 0.795 11.401 1.00 0.00 C ATOM 792 C GLY A 49 5.140 0.827 10.081 1.00 0.00 C ATOM 793 O GLY A 49 6.122 1.555 9.936 1.00 0.00 O ATOM 0 H GLY A 49 2.707 -0.459 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.666 1.617 11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.076 0.946 12.227 1.00 0.00 H new ATOM 797 N VAL A 50 4.680 0.032 9.122 1.00 0.00 N ATOM 798 CA VAL A 50 5.324 -0.044 7.815 1.00 0.00 C ATOM 799 C VAL A 50 4.723 0.965 6.845 1.00 0.00 C ATOM 800 O VAL A 50 5.443 1.640 6.109 1.00 0.00 O ATOM 801 CB VAL A 50 5.210 -1.455 7.209 1.00 0.00 C ATOM 802 CG1 VAL A 50 5.820 -1.488 5.816 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.885 -2.478 8.109 1.00 0.00 C ATOM 0 H VAL A 50 3.863 -0.570 9.225 1.00 0.00 H new ATOM 0 HA VAL A 50 6.377 0.190 7.971 1.00 0.00 H new ATOM 0 HB VAL A 50 4.153 -1.710 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.730 -2.493 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.294 -0.783 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.873 -1.212 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.794 -3.469 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.939 -2.225 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.406 -2.474 9.088 1.00 0.00 H new ATOM 813 N ILE A 51 3.398 1.065 6.847 1.00 0.00 N ATOM 814 CA ILE A 51 2.695 1.972 5.949 1.00 0.00 C ATOM 815 C ILE A 51 1.781 2.914 6.722 1.00 0.00 C ATOM 816 O ILE A 51 1.555 2.733 7.919 1.00 0.00 O ATOM 817 CB ILE A 51 1.862 1.203 4.907 1.00 0.00 C ATOM 818 CG1 ILE A 51 0.738 0.423 5.591 1.00 0.00 C ATOM 819 CG2 ILE A 51 2.751 0.266 4.102 1.00 0.00 C ATOM 820 CD1 ILE A 51 -0.246 -0.203 4.629 1.00 0.00 C ATOM 0 H ILE A 51 2.788 0.527 7.463 1.00 0.00 H new ATOM 0 HA ILE A 51 3.457 2.555 5.432 1.00 0.00 H new ATOM 0 HB ILE A 51 1.413 1.923 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.177 -0.361 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.200 1.093 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.146 -0.270 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.517 0.845 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.227 -0.449 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.012 -0.738 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.714 0.577 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.278 -0.900 3.975 1.00 0.00 H new ATOM 832 N TYR A 52 1.254 3.918 6.031 1.00 0.00 N ATOM 833 CA TYR A 52 0.320 4.861 6.636 1.00 0.00 C ATOM 834 C TYR A 52 -0.736 5.310 5.637 1.00 0.00 C ATOM 835 O TYR A 52 -0.428 5.592 4.478 1.00 0.00 O ATOM 836 CB TYR A 52 1.070 6.075 7.192 1.00 0.00 C ATOM 837 CG TYR A 52 0.173 7.095 7.858 1.00 0.00 C ATOM 838 CD1 TYR A 52 -0.378 6.852 9.107 1.00 0.00 C ATOM 839 CD2 TYR A 52 -0.117 8.300 7.237 1.00 0.00 C ATOM 840 CE1 TYR A 52 -1.197 7.780 9.721 1.00 0.00 C ATOM 841 CE2 TYR A 52 -0.933 9.236 7.841 1.00 0.00 C ATOM 842 CZ TYR A 52 -1.471 8.973 9.083 1.00 0.00 C ATOM 843 OH TYR A 52 -2.285 9.902 9.689 1.00 0.00 O ATOM 0 H TYR A 52 1.458 4.101 5.048 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.185 4.350 7.456 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.813 5.733 7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.613 6.558 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.163 5.920 9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.302 8.510 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.620 7.573 10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.149 10.170 7.343 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.376 10.686 9.108 1.00 0.00 H new ATOM 853 N ARG A 53 -1.983 5.376 6.090 1.00 0.00 N ATOM 854 CA ARG A 53 -3.094 5.758 5.226 1.00 0.00 C ATOM 855 C ARG A 53 -3.316 7.265 5.249 1.00 0.00 C ATOM 856 O ARG A 53 -3.402 7.874 6.315 1.00 0.00 O ATOM 857 CB ARG A 53 -4.370 5.002 5.563 1.00 0.00 C ATOM 858 CG ARG A 53 -5.540 5.277 4.633 1.00 0.00 C ATOM 859 CD ARG A 53 -6.657 4.303 4.750 1.00 0.00 C ATOM 860 NE ARG A 53 -7.415 4.401 5.986 1.00 0.00 N ATOM 861 CZ ARG A 53 -8.178 3.415 6.495 1.00 0.00 C ATOM 862 NH1 ARG A 53 -8.320 2.271 5.862 1.00 0.00 N ATOM 863 NH2 ARG A 53 -8.804 3.636 7.638 1.00 0.00 N ATOM 0 H ARG A 53 -2.250 5.169 7.052 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.821 5.476 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.157 3.933 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.667 5.254 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.923 6.277 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.179 5.276 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.336 4.446 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.253 3.294 4.665 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.366 5.278 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.848 2.119 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.902 1.535 6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.702 4.535 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.389 2.908 8.048 1.00 0.00 H new ATOM 877 N LYS A 54 -3.406 7.862 4.065 1.00 0.00 N ATOM 878 CA LYS A 54 -3.698 9.286 3.945 1.00 0.00 C ATOM 879 C LYS A 54 -4.940 9.524 3.098 1.00 0.00 C ATOM 880 O LYS A 54 -5.306 8.691 2.268 1.00 0.00 O ATOM 881 CB LYS A 54 -2.502 10.030 3.347 1.00 0.00 C ATOM 882 CG LYS A 54 -1.267 10.052 4.238 1.00 0.00 C ATOM 883 CD LYS A 54 -0.145 10.865 3.606 1.00 0.00 C ATOM 884 CE LYS A 54 1.085 10.900 4.502 1.00 0.00 C ATOM 885 NZ LYS A 54 2.183 11.709 3.907 1.00 0.00 N ATOM 0 H LYS A 54 -3.281 7.381 3.174 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.890 9.672 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.241 9.568 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.798 11.057 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.524 10.475 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.925 9.032 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.119 10.435 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.490 11.882 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.815 11.314 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.437 9.883 4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.002 11.707 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.459 11.300 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.856 12.686 3.765 1.00 0.00 H new ATOM 899 N TRP A 55 -5.586 10.665 3.311 1.00 0.00 N ATOM 900 CA TRP A 55 -6.803 11.004 2.583 1.00 0.00 C ATOM 901 C TRP A 55 -6.557 12.140 1.597 1.00 0.00 C ATOM 902 O TRP A 55 -6.427 13.298 1.992 1.00 0.00 O ATOM 903 CB TRP A 55 -7.918 11.388 3.557 1.00 0.00 C ATOM 904 CG TRP A 55 -8.508 10.215 4.282 1.00 0.00 C ATOM 905 CD1 TRP A 55 -9.696 9.604 4.012 1.00 0.00 C ATOM 906 CD2 TRP A 55 -7.939 9.514 5.393 1.00 0.00 C ATOM 907 NE1 TRP A 55 -9.904 8.567 4.887 1.00 0.00 N ATOM 908 CE2 TRP A 55 -8.835 8.490 5.745 1.00 0.00 C ATOM 909 CE3 TRP A 55 -6.753 9.653 6.126 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -8.592 7.614 6.791 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -6.508 8.774 7.174 1.00 0.00 C ATOM 912 CH2 TRP A 55 -7.400 7.784 7.497 1.00 0.00 C ATOM 0 H TRP A 55 -5.287 11.372 3.983 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.111 10.123 2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.525 12.096 4.287 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.708 11.901 3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.375 9.894 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -10.719 7.954 4.898 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.043 10.429 5.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.294 6.834 7.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.597 8.873 7.745 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.175 7.119 8.318 1.00 0.00 H new ATOM 923 N ARG A 56 -6.496 11.800 0.314 1.00 0.00 N ATOM 924 CA ARG A 56 -6.383 12.802 -0.739 1.00 0.00 C ATOM 925 C ARG A 56 -7.727 13.463 -1.016 1.00 0.00 C ATOM 926 O ARG A 56 -8.761 12.796 -1.055 1.00 0.00 O ATOM 927 CB ARG A 56 -5.768 12.234 -2.009 1.00 0.00 C ATOM 928 CG ARG A 56 -5.626 13.228 -3.152 1.00 0.00 C ATOM 929 CD ARG A 56 -4.989 12.671 -4.371 1.00 0.00 C ATOM 930 NE ARG A 56 -4.891 13.605 -5.480 1.00 0.00 N ATOM 931 CZ ARG A 56 -4.359 13.314 -6.682 1.00 0.00 C ATOM 932 NH1 ARG A 56 -3.840 12.128 -6.924 1.00 0.00 N ATOM 933 NH2 ARG A 56 -4.349 14.257 -7.608 1.00 0.00 N ATOM 0 H ARG A 56 -6.523 10.837 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.701 13.571 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.783 11.834 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.379 11.397 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.614 13.607 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.040 14.079 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.988 12.323 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.556 11.799 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.251 14.549 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.837 11.414 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.441 11.923 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.738 15.177 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.952 14.064 -8.528 1.00 0.00 H new ATOM 947 N HIS A 57 -7.707 14.776 -1.212 1.00 0.00 N ATOM 948 CA HIS A 57 -8.932 15.542 -1.400 1.00 0.00 C ATOM 949 C HIS A 57 -8.981 16.173 -2.787 1.00 0.00 C ATOM 950 O HIS A 57 -8.093 16.939 -3.161 1.00 0.00 O ATOM 951 CB HIS A 57 -9.063 16.628 -0.327 1.00 0.00 C ATOM 952 CG HIS A 57 -9.069 16.093 1.071 1.00 0.00 C ATOM 953 ND1 HIS A 57 -10.179 15.498 1.636 1.00 0.00 N ATOM 954 CD2 HIS A 57 -8.104 16.065 2.020 1.00 0.00 C ATOM 955 CE1 HIS A 57 -9.894 15.126 2.871 1.00 0.00 C ATOM 956 NE2 HIS A 57 -8.641 15.457 3.128 1.00 0.00 N ATOM 0 H HIS A 57 -6.853 15.333 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.770 14.851 -1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.239 17.333 -0.433 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.984 17.186 -0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.099 16.449 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.570 14.635 3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.152 15.288 4.007 1.00 0.00 H new ATOM 964 N PHE A 58 -10.024 15.847 -3.543 1.00 0.00 N ATOM 965 CA PHE A 58 -10.205 16.406 -4.878 1.00 0.00 C ATOM 966 C PHE A 58 -11.679 16.451 -5.259 1.00 0.00 C ATOM 967 O PHE A 58 -12.372 15.434 -5.220 1.00 0.00 O ATOM 968 CB PHE A 58 -9.420 15.594 -5.908 1.00 0.00 C ATOM 969 CG PHE A 58 -9.530 16.123 -7.310 1.00 0.00 C ATOM 970 CD1 PHE A 58 -8.849 17.272 -7.686 1.00 0.00 C ATOM 971 CD2 PHE A 58 -10.314 15.476 -8.253 1.00 0.00 C ATOM 972 CE1 PHE A 58 -8.949 17.760 -8.975 1.00 0.00 C ATOM 973 CE2 PHE A 58 -10.414 15.962 -9.542 1.00 0.00 C ATOM 974 CZ PHE A 58 -9.731 17.106 -9.904 1.00 0.00 C ATOM 0 H PHE A 58 -10.757 15.199 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.824 17.427 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.369 15.576 -5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.774 14.563 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.235 17.790 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.853 14.582 -7.976 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.414 18.655 -9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.027 15.447 -10.267 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.809 17.488 -10.911 1.00 0.00 H new ATOM 984 N SER A 59 -12.154 17.637 -5.627 1.00 0.00 N ATOM 985 CA SER A 59 -13.547 17.817 -6.014 1.00 0.00 C ATOM 986 C SER A 59 -14.486 17.514 -4.855 1.00 0.00 C ATOM 987 O SER A 59 -15.648 17.162 -5.057 1.00 0.00 O ATOM 988 CB SER A 59 -13.877 16.937 -7.204 1.00 0.00 C ATOM 989 OG SER A 59 -13.091 17.247 -8.322 1.00 0.00 O ATOM 0 H SER A 59 -11.593 18.488 -5.665 1.00 0.00 H new ATOM 0 HA SER A 59 -13.688 18.861 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.727 15.892 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.931 17.052 -7.459 1.00 0.00 H new ATOM 0 HG SER A 59 -12.288 16.686 -8.323 1.00 0.00 H new ATOM 995 N GLY A 60 -13.975 17.652 -3.636 1.00 0.00 N ATOM 996 CA GLY A 60 -14.776 17.427 -2.439 1.00 0.00 C ATOM 997 C GLY A 60 -14.860 15.943 -2.102 1.00 0.00 C ATOM 998 O GLY A 60 -15.554 15.548 -1.166 1.00 0.00 O ATOM 0 H GLY A 60 -13.008 17.919 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.340 17.969 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.779 17.826 -2.590 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.150 15.128 -2.873 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.162 13.682 -2.675 1.00 0.00 C ATOM 1004 C ARG A 61 -12.921 13.218 -1.924 1.00 0.00 C ATOM 1005 O ARG A 61 -11.835 13.770 -2.099 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.338 12.925 -3.982 1.00 0.00 C ATOM 1007 CG ARG A 61 -15.668 13.155 -4.682 1.00 0.00 C ATOM 1008 CD ARG A 61 -15.849 12.367 -5.928 1.00 0.00 C ATOM 1009 NE ARG A 61 -17.071 12.667 -6.657 1.00 0.00 N ATOM 1010 CZ ARG A 61 -17.440 12.071 -7.808 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -16.671 11.174 -8.384 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -18.587 12.430 -8.357 1.00 0.00 N ATOM 0 H ARG A 61 -13.558 15.443 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.031 13.451 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.533 13.209 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.228 11.859 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.475 12.911 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.761 14.215 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.996 12.546 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.841 11.306 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.692 13.378 -6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.779 10.919 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.966 10.733 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.166 13.140 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.893 11.997 -9.228 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.089 12.201 -1.085 1.00 0.00 N ATOM 1027 CA LYS A 62 -11.981 11.658 -0.308 1.00 0.00 C ATOM 1028 C LYS A 62 -11.420 10.397 -0.956 1.00 0.00 C ATOM 1029 O LYS A 62 -12.168 9.487 -1.314 1.00 0.00 O ATOM 1030 CB LYS A 62 -12.426 11.360 1.124 1.00 0.00 C ATOM 1031 CG LYS A 62 -12.749 12.596 1.953 1.00 0.00 C ATOM 1032 CD LYS A 62 -13.239 12.219 3.343 1.00 0.00 C ATOM 1033 CE LYS A 62 -13.609 13.452 4.154 1.00 0.00 C ATOM 1034 NZ LYS A 62 -14.142 13.095 5.497 1.00 0.00 N ATOM 0 H LYS A 62 -13.983 11.736 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.191 12.409 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.307 10.719 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.640 10.796 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.861 13.223 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.510 13.188 1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.105 11.563 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.463 11.658 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.731 14.087 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.354 14.033 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.382 13.963 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.995 12.510 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.422 12.562 6.026 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.101 10.351 -1.103 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.440 9.214 -1.732 1.00 0.00 C ATOM 1050 C TYR A 63 -8.410 8.591 -0.799 1.00 0.00 C ATOM 1051 O TYR A 63 -7.339 9.157 -0.573 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.773 9.640 -3.042 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.731 10.221 -4.057 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.398 9.402 -4.957 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -9.965 11.587 -4.116 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.274 9.927 -5.886 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -10.841 12.124 -5.040 1.00 0.00 C ATOM 1058 CZ TYR A 63 -11.493 11.288 -5.925 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.365 11.817 -6.850 1.00 0.00 O ATOM 0 H TYR A 63 -9.468 11.089 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.201 8.464 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.001 10.377 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.273 8.777 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.229 8.336 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.453 12.243 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.785 9.275 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.014 13.190 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.406 12.790 -6.742 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.737 7.422 -0.259 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.830 6.709 0.631 1.00 0.00 C ATOM 1071 C ARG A 64 -6.633 6.155 -0.130 1.00 0.00 C ATOM 1072 O ARG A 64 -6.791 5.391 -1.083 1.00 0.00 O ATOM 1073 CB ARG A 64 -8.542 5.618 1.421 1.00 0.00 C ATOM 1074 CG ARG A 64 -9.544 6.123 2.447 1.00 0.00 C ATOM 1075 CD ARG A 64 -10.266 5.049 3.176 1.00 0.00 C ATOM 1076 NE ARG A 64 -11.185 5.527 4.197 1.00 0.00 N ATOM 1077 CZ ARG A 64 -12.491 5.782 3.992 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -13.029 5.643 2.800 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -13.215 6.200 5.016 1.00 0.00 N ATOM 0 H ARG A 64 -9.625 6.948 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.458 7.433 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.059 4.962 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.794 5.012 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.022 6.749 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.273 6.758 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.823 4.449 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.535 4.389 3.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.814 5.680 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.455 5.338 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.020 5.840 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.782 6.321 5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.207 6.401 4.891 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.436 6.542 0.296 1.00 0.00 N ATOM 1094 CA GLU A 65 -4.208 6.024 -0.294 1.00 0.00 C ATOM 1095 C GLU A 65 -3.265 5.489 0.778 1.00 0.00 C ATOM 1096 O GLU A 65 -3.259 5.971 1.910 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.508 7.109 -1.115 1.00 0.00 C ATOM 1098 CG GLU A 65 -4.308 7.604 -2.313 1.00 0.00 C ATOM 1099 CD GLU A 65 -3.542 8.638 -3.089 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.461 8.985 -2.677 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.985 9.000 -4.155 1.00 0.00 O ATOM 0 H GLU A 65 -5.290 7.214 1.049 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.478 5.200 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.289 7.956 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.552 6.722 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.551 6.764 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.253 8.027 -1.973 1.00 0.00 H new ATOM 1108 N TYR A 66 -2.469 4.489 0.412 1.00 0.00 N ATOM 1109 CA TYR A 66 -1.551 3.859 1.352 1.00 0.00 C ATOM 1110 C TYR A 66 -0.101 4.098 0.951 1.00 0.00 C ATOM 1111 O TYR A 66 0.363 3.592 -0.070 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.828 2.357 1.445 1.00 0.00 C ATOM 1113 CG TYR A 66 -3.201 2.019 1.983 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -4.304 1.977 1.143 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -3.389 1.742 3.329 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -5.561 1.670 1.629 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -4.640 1.432 3.826 1.00 0.00 C ATOM 1118 CZ TYR A 66 -5.725 1.396 2.972 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.973 1.088 3.462 1.00 0.00 O ATOM 0 H TYR A 66 -2.442 4.098 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.714 4.312 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.718 1.915 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.075 1.897 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.178 2.188 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.543 1.769 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.410 1.645 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.769 1.219 4.877 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.883 0.487 4.231 1.00 0.00 H new ATOM 1129 N CYS A 67 0.612 4.874 1.762 1.00 0.00 N ATOM 1130 CA CYS A 67 1.997 5.218 1.470 1.00 0.00 C ATOM 1131 C CYS A 67 2.956 4.474 2.391 1.00 0.00 C ATOM 1132 O CYS A 67 2.570 4.018 3.467 1.00 0.00 O ATOM 1133 CB CYS A 67 2.039 6.719 1.750 1.00 0.00 C ATOM 1134 SG CYS A 67 1.898 7.160 3.499 1.00 0.00 S ATOM 0 H CYS A 67 0.252 5.276 2.627 1.00 0.00 H new ATOM 0 HA CYS A 67 2.298 4.953 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.974 7.122 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.231 7.201 1.200 1.00 0.00 H new ATOM 0 HG CYS A 67 1.090 6.332 4.091 1.00 0.00 H new ATOM 1140 N LEU A 68 4.207 4.353 1.962 1.00 0.00 N ATOM 1141 CA LEU A 68 5.243 3.737 2.782 1.00 0.00 C ATOM 1142 C LEU A 68 5.762 4.707 3.837 1.00 0.00 C ATOM 1143 O LEU A 68 6.112 5.846 3.528 1.00 0.00 O ATOM 1144 CB LEU A 68 6.395 3.243 1.900 1.00 0.00 C ATOM 1145 CG LEU A 68 7.473 2.429 2.627 1.00 0.00 C ATOM 1146 CD1 LEU A 68 6.892 1.109 3.112 1.00 0.00 C ATOM 1147 CD2 LEU A 68 8.648 2.189 1.690 1.00 0.00 C ATOM 0 H LEU A 68 4.529 4.674 1.049 1.00 0.00 H new ATOM 0 HA LEU A 68 4.801 2.884 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.981 2.632 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.868 4.106 1.432 1.00 0.00 H new ATOM 0 HG LEU A 68 7.825 2.986 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.665 0.538 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.068 1.304 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.526 0.537 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.414 1.611 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.308 1.638 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.066 3.146 1.378 1.00 0.00 H new