USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 94:sc= 0.138 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 94:sc= 1.21 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.103 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 64:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -0.934 (180deg=-1.66) USER MOD Single : A 72 THR OG1 : rot -152:sc= -3.86! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 89 SER OG : rot 94:sc= -1.92! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0515 K(o=-0.051,f=-1.8!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 160:sc= -4.15! USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 14.591 -6.003 -0.325 1.00 0.00 N ATOM 44 CA GLU A 4 13.275 -5.452 0.107 1.00 0.00 C ATOM 45 C GLU A 4 13.181 -3.975 -0.278 1.00 0.00 C ATOM 46 O GLU A 4 14.135 -3.377 -0.733 1.00 0.00 O ATOM 47 CB GLU A 4 13.138 -5.592 1.624 1.00 0.00 C ATOM 48 CG GLU A 4 14.375 -5.005 2.308 1.00 0.00 C ATOM 49 CD GLU A 4 14.702 -5.823 3.559 1.00 0.00 C ATOM 50 OE1 GLU A 4 13.889 -6.655 3.926 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.759 -5.604 4.127 1.00 0.00 O ATOM 0 HA GLU A 4 12.474 -6.004 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.241 -5.076 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.025 -6.642 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.222 -5.015 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.195 -3.964 2.578 1.00 0.00 H new ATOM 58 N ILE A 5 12.031 -3.383 -0.097 1.00 0.00 N ATOM 59 CA ILE A 5 11.863 -1.943 -0.446 1.00 0.00 C ATOM 60 C ILE A 5 10.791 -1.331 0.460 1.00 0.00 C ATOM 61 O ILE A 5 9.937 -2.023 0.979 1.00 0.00 O ATOM 62 CB ILE A 5 11.436 -1.819 -1.910 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.958 -0.391 -2.184 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.298 -2.800 -2.196 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.660 -0.228 -3.675 1.00 0.00 C ATOM 0 H ILE A 5 11.198 -3.836 0.279 1.00 0.00 H new ATOM 0 HA ILE A 5 12.806 -1.415 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 5 12.284 -2.049 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.064 -0.177 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.720 0.324 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.994 -2.711 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.638 -3.818 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.450 -2.572 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.320 0.789 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.565 -0.424 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.883 -0.933 -3.970 1.00 0.00 H new ATOM 77 N ARG A 6 10.828 -0.042 0.660 1.00 0.00 N ATOM 78 CA ARG A 6 9.810 0.602 1.538 1.00 0.00 C ATOM 79 C ARG A 6 8.615 1.064 0.700 1.00 0.00 C ATOM 80 O ARG A 6 8.679 2.057 0.000 1.00 0.00 O ATOM 81 CB ARG A 6 10.431 1.808 2.246 1.00 0.00 C ATOM 82 CG ARG A 6 11.591 1.342 3.127 1.00 0.00 C ATOM 83 CD ARG A 6 12.786 2.278 2.931 1.00 0.00 C ATOM 84 NE ARG A 6 13.725 2.133 4.079 1.00 0.00 N ATOM 85 CZ ARG A 6 14.622 3.053 4.305 1.00 0.00 C ATOM 86 NH1 ARG A 6 15.763 3.022 3.672 1.00 0.00 N ATOM 87 NH2 ARG A 6 14.377 4.005 5.164 1.00 0.00 N ATOM 0 H ARG A 6 11.517 0.592 0.255 1.00 0.00 H new ATOM 0 HA ARG A 6 9.471 -0.122 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.786 2.531 1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.680 2.313 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.287 1.336 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.870 0.320 2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.297 2.042 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.444 3.310 2.855 1.00 0.00 H new ATOM 0 HE ARG A 6 13.667 1.316 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.954 2.278 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.464 3.741 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.485 4.029 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.078 4.725 5.341 1.00 0.00 H new ATOM 101 N LEU A 7 7.522 0.355 0.774 1.00 0.00 N ATOM 102 CA LEU A 7 6.319 0.753 -0.006 1.00 0.00 C ATOM 103 C LEU A 7 5.106 0.774 0.927 1.00 0.00 C ATOM 104 O LEU A 7 5.148 0.247 2.020 1.00 0.00 O ATOM 105 CB LEU A 7 6.083 -0.254 -1.135 1.00 0.00 C ATOM 106 CG LEU A 7 6.018 -1.667 -0.555 1.00 0.00 C ATOM 107 CD1 LEU A 7 4.595 -2.213 -0.696 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.987 -2.574 -1.316 1.00 0.00 C ATOM 0 H LEU A 7 7.411 -0.484 1.343 1.00 0.00 H new ATOM 0 HA LEU A 7 6.469 1.743 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.155 -0.021 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.886 -0.188 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 7 6.294 -1.639 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.549 -3.220 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.902 -1.567 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.319 -2.241 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.942 -3.582 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.709 -2.600 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.001 -2.187 -1.218 1.00 0.00 H new ATOM 120 N TYR A 8 4.028 1.382 0.512 1.00 0.00 N ATOM 121 CA TYR A 8 2.825 1.433 1.391 1.00 0.00 C ATOM 122 C TYR A 8 1.585 1.016 0.598 1.00 0.00 C ATOM 123 O TYR A 8 1.479 1.260 -0.588 1.00 0.00 O ATOM 124 CB TYR A 8 2.640 2.859 1.916 1.00 0.00 C ATOM 125 CG TYR A 8 1.716 2.838 3.110 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.917 1.907 4.136 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.657 3.752 3.192 1.00 0.00 C ATOM 128 CE1 TYR A 8 1.060 1.886 5.245 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.201 3.733 4.301 1.00 0.00 C ATOM 130 CZ TYR A 8 0.000 2.800 5.327 1.00 0.00 C ATOM 131 OH TYR A 8 -0.845 2.782 6.418 1.00 0.00 O ATOM 0 H TYR A 8 3.928 1.843 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 8 2.961 0.749 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.604 3.283 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.227 3.496 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.734 1.204 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.502 4.471 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.216 1.167 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.017 4.438 4.364 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.524 3.481 6.317 1.00 0.00 H new ATOM 141 N ILE A 9 0.642 0.390 1.247 1.00 0.00 N ATOM 142 CA ILE A 9 -0.596 -0.043 0.541 1.00 0.00 C ATOM 143 C ILE A 9 -1.817 0.385 1.356 1.00 0.00 C ATOM 144 O ILE A 9 -1.781 0.424 2.570 1.00 0.00 O ATOM 145 CB ILE A 9 -0.591 -1.565 0.387 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.690 -2.001 -0.327 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.805 -2.001 -0.436 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.393 -3.082 0.496 1.00 0.00 C ATOM 0 H ILE A 9 0.676 0.159 2.240 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.635 0.419 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.635 -2.028 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.453 -2.382 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.352 -1.146 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.800 -3.086 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.719 -1.691 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.762 -1.537 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.305 -3.392 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.644 -2.685 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.731 -3.941 0.609 1.00 0.00 H new ATOM 160 N THR A 10 -2.899 0.708 0.702 1.00 0.00 N ATOM 161 CA THR A 10 -4.119 1.135 1.444 1.00 0.00 C ATOM 162 C THR A 10 -4.539 0.029 2.417 1.00 0.00 C ATOM 163 O THR A 10 -4.387 -1.144 2.141 1.00 0.00 O ATOM 164 CB THR A 10 -5.252 1.403 0.452 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.701 1.698 -0.824 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.088 2.588 0.935 1.00 0.00 C ATOM 0 H THR A 10 -2.991 0.695 -0.314 1.00 0.00 H new ATOM 0 HA THR A 10 -3.904 2.046 2.003 1.00 0.00 H new ATOM 0 HB THR A 10 -5.888 0.520 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.654 0.877 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.895 2.777 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.510 2.360 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.456 3.473 1.010 1.00 0.00 H new ATOM 174 N GLU A 11 -5.066 0.393 3.556 1.00 0.00 N ATOM 175 CA GLU A 11 -5.492 -0.639 4.544 1.00 0.00 C ATOM 176 C GLU A 11 -6.932 -1.069 4.249 1.00 0.00 C ATOM 177 O GLU A 11 -7.732 -0.301 3.753 1.00 0.00 O ATOM 178 CB GLU A 11 -5.404 -0.059 5.960 1.00 0.00 C ATOM 179 CG GLU A 11 -6.588 0.879 6.216 1.00 0.00 C ATOM 180 CD GLU A 11 -6.563 1.346 7.672 1.00 0.00 C ATOM 181 OE1 GLU A 11 -6.288 0.524 8.532 1.00 0.00 O ATOM 182 OE2 GLU A 11 -6.819 2.515 7.905 1.00 0.00 O ATOM 0 H GLU A 11 -5.219 1.359 3.844 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.836 -1.506 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.403 -0.866 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.467 0.483 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.537 1.738 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.525 0.365 6.004 1.00 0.00 H new ATOM 189 N GLY A 12 -7.267 -2.293 4.554 1.00 0.00 N ATOM 190 CA GLY A 12 -8.653 -2.775 4.293 1.00 0.00 C ATOM 191 C GLY A 12 -8.803 -4.204 4.815 1.00 0.00 C ATOM 192 O GLY A 12 -8.086 -4.629 5.699 1.00 0.00 O ATOM 0 H GLY A 12 -6.640 -2.980 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.375 -2.121 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.865 -2.743 3.224 1.00 0.00 H new ATOM 196 N GLU A 13 -9.730 -4.950 4.279 1.00 0.00 N ATOM 197 CA GLU A 13 -9.922 -6.352 4.749 1.00 0.00 C ATOM 198 C GLU A 13 -10.887 -7.080 3.812 1.00 0.00 C ATOM 199 O GLU A 13 -11.840 -7.698 4.246 1.00 0.00 O ATOM 200 CB GLU A 13 -10.500 -6.335 6.166 1.00 0.00 C ATOM 201 CG GLU A 13 -11.815 -5.554 6.172 1.00 0.00 C ATOM 202 CD GLU A 13 -11.574 -4.151 6.732 1.00 0.00 C ATOM 203 OE1 GLU A 13 -11.236 -3.273 5.954 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.730 -3.978 7.929 1.00 0.00 O ATOM 0 H GLU A 13 -10.362 -4.650 3.537 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.963 -6.870 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.669 -7.354 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.790 -5.877 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.216 -5.489 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.557 -6.076 6.776 1.00 0.00 H new ATOM 211 N VAL A 14 -10.652 -7.013 2.530 1.00 0.00 N ATOM 212 CA VAL A 14 -11.561 -7.702 1.570 1.00 0.00 C ATOM 213 C VAL A 14 -10.815 -8.854 0.892 1.00 0.00 C ATOM 214 O VAL A 14 -9.608 -8.969 0.988 1.00 0.00 O ATOM 215 CB VAL A 14 -12.034 -6.707 0.509 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.904 -5.635 1.166 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.819 -6.046 -0.147 1.00 0.00 C ATOM 0 H VAL A 14 -9.871 -6.512 2.106 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.423 -8.096 2.109 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.616 -7.233 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.241 -4.926 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.769 -6.105 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.323 -5.109 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.155 -5.337 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.237 -5.521 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.198 -6.810 -0.616 1.00 0.00 H new ATOM 227 N GLU A 15 -11.524 -9.708 0.205 1.00 0.00 N ATOM 228 CA GLU A 15 -10.860 -10.852 -0.481 1.00 0.00 C ATOM 229 C GLU A 15 -9.973 -10.326 -1.612 1.00 0.00 C ATOM 230 O GLU A 15 -9.011 -10.957 -2.002 1.00 0.00 O ATOM 231 CB GLU A 15 -11.927 -11.782 -1.061 1.00 0.00 C ATOM 232 CG GLU A 15 -11.355 -13.195 -1.201 1.00 0.00 C ATOM 233 CD GLU A 15 -11.730 -14.021 0.031 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.511 -13.543 1.130 1.00 0.00 O ATOM 235 OE2 GLU A 15 -12.230 -15.120 -0.149 1.00 0.00 O ATOM 0 H GLU A 15 -12.536 -9.662 0.089 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.247 -11.400 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.803 -11.796 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.256 -11.414 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.744 -13.669 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.271 -13.151 -1.307 1.00 0.00 H new ATOM 242 N ASP A 16 -10.286 -9.175 -2.140 1.00 0.00 N ATOM 243 CA ASP A 16 -9.459 -8.612 -3.244 1.00 0.00 C ATOM 244 C ASP A 16 -8.123 -8.125 -2.680 1.00 0.00 C ATOM 245 O ASP A 16 -7.076 -8.667 -2.978 1.00 0.00 O ATOM 246 CB ASP A 16 -10.198 -7.437 -3.888 1.00 0.00 C ATOM 247 CG ASP A 16 -10.742 -7.859 -5.253 1.00 0.00 C ATOM 248 OD1 ASP A 16 -10.161 -8.749 -5.852 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.729 -7.283 -5.680 1.00 0.00 O ATOM 0 H ASP A 16 -11.079 -8.600 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.280 -9.383 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.015 -7.112 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.524 -6.588 -4.001 1.00 0.00 H new ATOM 254 N TYR A 17 -8.151 -7.106 -1.867 1.00 0.00 N ATOM 255 CA TYR A 17 -6.886 -6.580 -1.282 1.00 0.00 C ATOM 256 C TYR A 17 -6.129 -7.718 -0.590 1.00 0.00 C ATOM 257 O TYR A 17 -4.921 -7.687 -0.464 1.00 0.00 O ATOM 258 CB TYR A 17 -7.221 -5.492 -0.260 1.00 0.00 C ATOM 259 CG TYR A 17 -5.988 -5.149 0.540 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.744 -5.052 -0.096 1.00 0.00 C ATOM 261 CD2 TYR A 17 -6.088 -4.928 1.921 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.600 -4.733 0.648 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.946 -4.608 2.664 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.700 -4.511 2.028 1.00 0.00 C ATOM 265 OH TYR A 17 -2.574 -4.197 2.760 1.00 0.00 O ATOM 0 H TYR A 17 -8.998 -6.614 -1.582 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.262 -6.162 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.595 -4.604 -0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.014 -5.835 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.666 -5.223 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.047 -5.005 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.641 -4.658 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.024 -4.436 3.727 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.819 -4.074 3.701 1.00 0.00 H new ATOM 275 N ARG A 18 -6.831 -8.721 -0.137 1.00 0.00 N ATOM 276 CA ARG A 18 -6.153 -9.858 0.551 1.00 0.00 C ATOM 277 C ARG A 18 -5.338 -10.666 -0.463 1.00 0.00 C ATOM 278 O ARG A 18 -4.123 -10.635 -0.463 1.00 0.00 O ATOM 279 CB ARG A 18 -7.206 -10.761 1.196 1.00 0.00 C ATOM 280 CG ARG A 18 -6.520 -11.766 2.124 1.00 0.00 C ATOM 281 CD ARG A 18 -7.240 -13.112 2.039 1.00 0.00 C ATOM 282 NE ARG A 18 -6.371 -14.178 2.614 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.617 -15.433 2.352 1.00 0.00 C ATOM 284 NH1 ARG A 18 -6.459 -15.887 1.138 1.00 0.00 N ATOM 285 NH2 ARG A 18 -7.020 -16.231 3.301 1.00 0.00 N ATOM 0 H ARG A 18 -7.845 -8.803 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.485 -9.469 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.920 -10.160 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.770 -11.288 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.474 -11.883 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.534 -11.398 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.184 -13.066 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.479 -13.344 1.001 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.584 -13.927 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.144 -15.261 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.651 -16.867 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.143 -15.875 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.212 -17.211 3.096 1.00 0.00 H new ATOM 299 N VAL A 19 -5.998 -11.397 -1.322 1.00 0.00 N ATOM 300 CA VAL A 19 -5.266 -12.214 -2.332 1.00 0.00 C ATOM 301 C VAL A 19 -4.101 -11.406 -2.910 1.00 0.00 C ATOM 302 O VAL A 19 -3.029 -11.927 -3.140 1.00 0.00 O ATOM 303 CB VAL A 19 -6.220 -12.606 -3.461 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.515 -13.577 -4.410 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.459 -13.283 -2.869 1.00 0.00 C ATOM 0 H VAL A 19 -7.015 -11.463 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.878 -13.112 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.520 -11.713 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.195 -13.857 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.632 -13.097 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.216 -14.470 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.140 -13.563 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.159 -14.176 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.962 -12.593 -2.191 1.00 0.00 H new ATOM 315 N PHE A 20 -4.303 -10.140 -3.150 1.00 0.00 N ATOM 316 CA PHE A 20 -3.205 -9.306 -3.716 1.00 0.00 C ATOM 317 C PHE A 20 -2.007 -9.317 -2.763 1.00 0.00 C ATOM 318 O PHE A 20 -0.900 -9.636 -3.147 1.00 0.00 O ATOM 319 CB PHE A 20 -3.700 -7.869 -3.899 1.00 0.00 C ATOM 320 CG PHE A 20 -2.605 -7.033 -4.517 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.921 -7.498 -5.647 1.00 0.00 C ATOM 322 CD2 PHE A 20 -2.275 -5.790 -3.961 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.906 -6.722 -6.221 1.00 0.00 C ATOM 324 CE2 PHE A 20 -1.260 -5.014 -4.534 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.576 -5.479 -5.664 1.00 0.00 C ATOM 0 H PHE A 20 -5.180 -9.647 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.902 -9.713 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.585 -7.856 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.993 -7.449 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.176 -8.456 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.803 -5.430 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.378 -7.081 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.005 -4.057 -4.104 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.206 -4.880 -6.106 1.00 0.00 H new ATOM 335 N LEU A 21 -2.219 -8.966 -1.524 1.00 0.00 N ATOM 336 CA LEU A 21 -1.093 -8.953 -0.548 1.00 0.00 C ATOM 337 C LEU A 21 -0.410 -10.322 -0.527 1.00 0.00 C ATOM 338 O LEU A 21 0.767 -10.434 -0.244 1.00 0.00 O ATOM 339 CB LEU A 21 -1.631 -8.637 0.848 1.00 0.00 C ATOM 340 CG LEU A 21 -0.554 -7.917 1.660 1.00 0.00 C ATOM 341 CD1 LEU A 21 -0.542 -6.432 1.289 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.857 -8.066 3.152 1.00 0.00 C ATOM 0 H LEU A 21 -3.124 -8.687 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.371 -8.192 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.522 -8.014 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.927 -9.557 1.352 1.00 0.00 H new ATOM 0 HG LEU A 21 0.420 -8.354 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.226 -5.919 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.328 -6.324 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.516 -5.994 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.090 -7.553 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.831 -7.628 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.866 -9.123 3.418 1.00 0.00 H new ATOM 354 N GLU A 22 -1.138 -11.364 -0.818 1.00 0.00 N ATOM 355 CA GLU A 22 -0.527 -12.723 -0.806 1.00 0.00 C ATOM 356 C GLU A 22 0.395 -12.890 -2.017 1.00 0.00 C ATOM 357 O GLU A 22 1.497 -13.390 -1.904 1.00 0.00 O ATOM 358 CB GLU A 22 -1.634 -13.779 -0.861 1.00 0.00 C ATOM 359 CG GLU A 22 -2.333 -13.861 0.497 1.00 0.00 C ATOM 360 CD GLU A 22 -1.314 -14.234 1.575 1.00 0.00 C ATOM 361 OE1 GLU A 22 -0.767 -15.322 1.494 1.00 0.00 O ATOM 362 OE2 GLU A 22 -1.099 -13.427 2.465 1.00 0.00 O ATOM 0 H GLU A 22 -2.128 -11.334 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 22 0.054 -12.847 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.355 -13.524 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.212 -14.749 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.798 -12.905 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.130 -14.603 0.463 1.00 0.00 H new ATOM 369 N ARG A 23 -0.047 -12.482 -3.175 1.00 0.00 N ATOM 370 CA ARG A 23 0.805 -12.627 -4.391 1.00 0.00 C ATOM 371 C ARG A 23 2.016 -11.696 -4.293 1.00 0.00 C ATOM 372 O ARG A 23 3.032 -11.920 -4.919 1.00 0.00 O ATOM 373 CB ARG A 23 -0.014 -12.267 -5.632 1.00 0.00 C ATOM 374 CG ARG A 23 -0.092 -13.480 -6.561 1.00 0.00 C ATOM 375 CD ARG A 23 -1.109 -13.208 -7.672 1.00 0.00 C ATOM 376 NE ARG A 23 -2.481 -13.183 -7.092 1.00 0.00 N ATOM 377 CZ ARG A 23 -3.429 -13.910 -7.620 1.00 0.00 C ATOM 378 NH1 ARG A 23 -3.764 -13.738 -8.868 1.00 0.00 N ATOM 379 NH2 ARG A 23 -4.040 -14.808 -6.898 1.00 0.00 N ATOM 0 H ARG A 23 -0.960 -12.055 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 23 1.151 -13.658 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.017 -11.953 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.445 -11.426 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.888 -13.684 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.383 -14.366 -5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.890 -12.256 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.041 -13.979 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.680 -12.597 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.286 -13.036 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.504 -14.306 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.777 -14.942 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.780 -15.376 -7.310 1.00 0.00 H new ATOM 393 N LEU A 24 1.918 -10.653 -3.516 1.00 0.00 N ATOM 394 CA LEU A 24 3.069 -9.715 -3.388 1.00 0.00 C ATOM 395 C LEU A 24 4.279 -10.466 -2.828 1.00 0.00 C ATOM 396 O LEU A 24 5.338 -10.487 -3.424 1.00 0.00 O ATOM 397 CB LEU A 24 2.697 -8.572 -2.441 1.00 0.00 C ATOM 398 CG LEU A 24 2.980 -7.232 -3.124 1.00 0.00 C ATOM 399 CD1 LEU A 24 1.714 -6.740 -3.828 1.00 0.00 C ATOM 400 CD2 LEU A 24 3.410 -6.206 -2.073 1.00 0.00 C ATOM 0 H LEU A 24 1.094 -10.410 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 24 3.314 -9.308 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.644 -8.639 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.270 -8.650 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 24 3.777 -7.359 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.916 -5.786 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.406 -7.471 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.917 -6.613 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.612 -5.251 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.613 -6.080 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.312 -6.556 -1.571 1.00 0.00 H new ATOM 412 N GLU A 25 4.131 -11.085 -1.690 1.00 0.00 N ATOM 413 CA GLU A 25 5.275 -11.834 -1.096 1.00 0.00 C ATOM 414 C GLU A 25 5.728 -12.925 -2.068 1.00 0.00 C ATOM 415 O GLU A 25 6.843 -13.404 -2.004 1.00 0.00 O ATOM 416 CB GLU A 25 4.835 -12.475 0.221 1.00 0.00 C ATOM 417 CG GLU A 25 3.631 -13.384 -0.029 1.00 0.00 C ATOM 418 CD GLU A 25 3.919 -14.779 0.529 1.00 0.00 C ATOM 419 OE1 GLU A 25 4.513 -15.570 -0.185 1.00 0.00 O ATOM 420 OE2 GLU A 25 3.541 -15.033 1.661 1.00 0.00 O ATOM 0 H GLU A 25 3.269 -11.105 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 25 6.101 -11.148 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.656 -13.051 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.576 -11.702 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.743 -12.967 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.423 -13.444 -1.097 1.00 0.00 H new ATOM 427 N GLN A 26 4.871 -13.322 -2.969 1.00 0.00 N ATOM 428 CA GLN A 26 5.253 -14.381 -3.944 1.00 0.00 C ATOM 429 C GLN A 26 6.599 -14.028 -4.580 1.00 0.00 C ATOM 430 O GLN A 26 7.391 -14.890 -4.902 1.00 0.00 O ATOM 431 CB GLN A 26 4.184 -14.478 -5.036 1.00 0.00 C ATOM 432 CG GLN A 26 4.188 -15.886 -5.634 1.00 0.00 C ATOM 433 CD GLN A 26 2.848 -16.566 -5.348 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.090 -16.847 -6.256 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.521 -16.843 -4.116 1.00 0.00 N ATOM 0 H GLN A 26 3.923 -12.959 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 26 5.335 -15.337 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.203 -14.252 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.377 -13.741 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.360 -15.835 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.003 -16.471 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.157 -16.607 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.629 -17.295 -3.914 1.00 0.00 H new ATOM 444 N SER A 27 6.862 -12.763 -4.764 1.00 0.00 N ATOM 445 CA SER A 27 8.156 -12.355 -5.379 1.00 0.00 C ATOM 446 C SER A 27 9.300 -13.137 -4.730 1.00 0.00 C ATOM 447 O SER A 27 10.124 -13.725 -5.402 1.00 0.00 O ATOM 448 CB SER A 27 8.373 -10.858 -5.162 1.00 0.00 C ATOM 449 OG SER A 27 7.113 -10.200 -5.142 1.00 0.00 O ATOM 0 H SER A 27 6.238 -11.996 -4.515 1.00 0.00 H new ATOM 0 HA SER A 27 8.133 -12.568 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.901 -10.687 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.997 -10.450 -5.957 1.00 0.00 H new ATOM 0 HG SER A 27 6.801 -10.119 -4.217 1.00 0.00 H new ATOM 455 N GLY A 28 9.358 -13.149 -3.426 1.00 0.00 N ATOM 456 CA GLY A 28 10.448 -13.893 -2.736 1.00 0.00 C ATOM 457 C GLY A 28 11.281 -12.924 -1.897 1.00 0.00 C ATOM 458 O GLY A 28 12.451 -12.715 -2.152 1.00 0.00 O ATOM 0 H GLY A 28 8.698 -12.676 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.025 -14.670 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.082 -14.392 -3.469 1.00 0.00 H new ATOM 462 N LEU A 29 10.689 -12.328 -0.897 1.00 0.00 N ATOM 463 CA LEU A 29 11.451 -11.374 -0.043 1.00 0.00 C ATOM 464 C LEU A 29 11.937 -10.201 -0.897 1.00 0.00 C ATOM 465 O LEU A 29 13.065 -10.172 -1.345 1.00 0.00 O ATOM 466 CB LEU A 29 12.657 -12.091 0.569 1.00 0.00 C ATOM 467 CG LEU A 29 13.209 -11.262 1.729 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.238 -11.324 2.910 1.00 0.00 C ATOM 469 CD2 LEU A 29 14.566 -11.826 2.156 1.00 0.00 C ATOM 0 H LEU A 29 9.712 -12.461 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 29 10.805 -11.002 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.365 -13.080 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.429 -12.237 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 29 13.328 -10.226 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.632 -10.733 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.270 -10.924 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.119 -12.359 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.961 -11.236 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.446 -12.862 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.259 -11.782 1.316 1.00 0.00 H new ATOM 481 N GLU A 30 11.094 -9.231 -1.128 1.00 0.00 N ATOM 482 CA GLU A 30 11.513 -8.063 -1.951 1.00 0.00 C ATOM 483 C GLU A 30 10.577 -6.884 -1.681 1.00 0.00 C ATOM 484 O GLU A 30 10.382 -6.030 -2.522 1.00 0.00 O ATOM 485 CB GLU A 30 11.449 -8.438 -3.433 1.00 0.00 C ATOM 486 CG GLU A 30 12.766 -8.057 -4.113 1.00 0.00 C ATOM 487 CD GLU A 30 12.814 -6.542 -4.321 1.00 0.00 C ATOM 488 OE1 GLU A 30 12.308 -6.086 -5.333 1.00 0.00 O ATOM 489 OE2 GLU A 30 13.356 -5.864 -3.464 1.00 0.00 O ATOM 0 H GLU A 30 10.135 -9.198 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 30 12.533 -7.781 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.268 -9.507 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.617 -7.923 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.609 -8.378 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.854 -8.569 -5.071 1.00 0.00 H new ATOM 496 N TRP A 31 9.996 -6.828 -0.514 1.00 0.00 N ATOM 497 CA TRP A 31 9.076 -5.700 -0.196 1.00 0.00 C ATOM 498 C TRP A 31 8.961 -5.542 1.320 1.00 0.00 C ATOM 499 O TRP A 31 9.184 -6.471 2.071 1.00 0.00 O ATOM 500 CB TRP A 31 7.693 -5.985 -0.786 1.00 0.00 C ATOM 501 CG TRP A 31 7.050 -7.108 -0.037 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.278 -8.422 -0.261 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.081 -7.040 1.050 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.511 -9.166 0.618 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.757 -8.359 1.446 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.459 -5.971 1.724 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.846 -8.610 2.474 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.541 -6.220 2.760 1.00 0.00 C ATOM 509 CH2 TRP A 31 4.237 -7.537 3.134 1.00 0.00 C ATOM 0 H TRP A 31 10.118 -7.513 0.232 1.00 0.00 H new ATOM 0 HA TRP A 31 9.472 -4.780 -0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.071 -5.092 -0.728 1.00 0.00 H new ATOM 0 HB3 TRP A 31 7.783 -6.243 -1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.949 -8.825 -1.005 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.504 -10.185 0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.688 -4.954 1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.613 -9.626 2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.068 -5.394 3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.533 -7.723 3.931 1.00 0.00 H new ATOM 520 N ARG A 32 8.615 -4.369 1.776 1.00 0.00 N ATOM 521 CA ARG A 32 8.485 -4.145 3.243 1.00 0.00 C ATOM 522 C ARG A 32 7.455 -3.040 3.500 1.00 0.00 C ATOM 523 O ARG A 32 7.312 -2.132 2.706 1.00 0.00 O ATOM 524 CB ARG A 32 9.840 -3.722 3.815 1.00 0.00 C ATOM 525 CG ARG A 32 10.332 -4.781 4.805 1.00 0.00 C ATOM 526 CD ARG A 32 11.471 -4.203 5.647 1.00 0.00 C ATOM 527 NE ARG A 32 11.593 -4.976 6.916 1.00 0.00 N ATOM 528 CZ ARG A 32 12.624 -5.751 7.112 1.00 0.00 C ATOM 529 NH1 ARG A 32 12.776 -6.828 6.392 1.00 0.00 N ATOM 530 NH2 ARG A 32 13.503 -5.446 8.027 1.00 0.00 N ATOM 0 H ARG A 32 8.416 -3.555 1.194 1.00 0.00 H new ATOM 0 HA ARG A 32 8.158 -5.066 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.564 -3.599 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.750 -2.757 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.513 -5.099 5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.675 -5.665 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.407 -4.247 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.279 -3.153 5.866 1.00 0.00 H new ATOM 0 HE ARG A 32 10.870 -4.899 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.089 -7.064 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.582 -7.434 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.384 -4.603 8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.310 -6.051 8.181 1.00 0.00 H new ATOM 544 N PRO A 33 6.768 -3.153 4.607 1.00 0.00 N ATOM 545 CA PRO A 33 5.738 -2.176 5.006 1.00 0.00 C ATOM 546 C PRO A 33 6.394 -0.915 5.576 1.00 0.00 C ATOM 547 O PRO A 33 7.106 -0.964 6.560 1.00 0.00 O ATOM 548 CB PRO A 33 4.940 -2.915 6.082 1.00 0.00 C ATOM 549 CG PRO A 33 5.871 -4.019 6.636 1.00 0.00 C ATOM 550 CD PRO A 33 6.952 -4.263 5.566 1.00 0.00 C ATOM 0 HA PRO A 33 5.114 -1.844 4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.632 -2.233 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.031 -3.347 5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.322 -3.708 7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.311 -4.933 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.952 -4.253 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.824 -5.232 5.084 1.00 0.00 H new ATOM 558 N ALA A 34 6.162 0.214 4.964 1.00 0.00 N ATOM 559 CA ALA A 34 6.773 1.475 5.469 1.00 0.00 C ATOM 560 C ALA A 34 5.674 2.415 5.972 1.00 0.00 C ATOM 561 O ALA A 34 4.533 2.025 6.128 1.00 0.00 O ATOM 562 CB ALA A 34 7.544 2.154 4.335 1.00 0.00 C ATOM 0 H ALA A 34 5.575 0.317 4.136 1.00 0.00 H new ATOM 0 HA ALA A 34 7.454 1.245 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.992 3.077 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.328 1.487 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.861 2.382 3.517 1.00 0.00 H new ATOM 568 N THR A 35 6.010 3.649 6.227 1.00 0.00 N ATOM 569 CA THR A 35 4.989 4.617 6.720 1.00 0.00 C ATOM 570 C THR A 35 4.466 5.447 5.545 1.00 0.00 C ATOM 571 O THR A 35 5.063 5.463 4.487 1.00 0.00 O ATOM 572 CB THR A 35 5.628 5.543 7.757 1.00 0.00 C ATOM 573 OG1 THR A 35 6.985 5.774 7.408 1.00 0.00 O ATOM 574 CG2 THR A 35 5.557 4.890 9.138 1.00 0.00 C ATOM 0 H THR A 35 6.949 4.030 6.115 1.00 0.00 H new ATOM 0 HA THR A 35 4.161 4.075 7.178 1.00 0.00 H new ATOM 0 HB THR A 35 5.092 6.492 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.396 6.368 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.012 5.550 9.876 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.515 4.713 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.093 3.941 9.120 1.00 0.00 H new ATOM 582 N PRO A 36 3.365 6.119 5.770 1.00 0.00 N ATOM 583 CA PRO A 36 2.734 6.969 4.746 1.00 0.00 C ATOM 584 C PRO A 36 3.500 8.287 4.609 1.00 0.00 C ATOM 585 O PRO A 36 3.453 8.942 3.587 1.00 0.00 O ATOM 586 CB PRO A 36 1.321 7.202 5.291 1.00 0.00 C ATOM 587 CG PRO A 36 1.398 6.961 6.817 1.00 0.00 C ATOM 588 CD PRO A 36 2.648 6.095 7.063 1.00 0.00 C ATOM 0 HA PRO A 36 2.727 6.519 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.983 8.215 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.608 6.522 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.469 7.906 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.501 6.457 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.262 6.501 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.378 5.079 7.350 1.00 0.00 H new ATOM 596 N GLU A 37 4.213 8.675 5.631 1.00 0.00 N ATOM 597 CA GLU A 37 4.990 9.944 5.558 1.00 0.00 C ATOM 598 C GLU A 37 6.419 9.637 5.097 1.00 0.00 C ATOM 599 O GLU A 37 7.225 10.527 4.913 1.00 0.00 O ATOM 600 CB GLU A 37 5.027 10.600 6.940 1.00 0.00 C ATOM 601 CG GLU A 37 4.444 12.012 6.851 1.00 0.00 C ATOM 602 CD GLU A 37 2.932 11.928 6.635 1.00 0.00 C ATOM 603 OE1 GLU A 37 2.430 10.823 6.517 1.00 0.00 O ATOM 604 OE2 GLU A 37 2.301 12.973 6.591 1.00 0.00 O ATOM 0 H GLU A 37 4.291 8.168 6.513 1.00 0.00 H new ATOM 0 HA GLU A 37 4.516 10.623 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.457 10.004 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.052 10.641 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.661 12.565 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.909 12.558 6.030 1.00 0.00 H new ATOM 611 N ASP A 38 6.739 8.384 4.910 1.00 0.00 N ATOM 612 CA ASP A 38 8.113 8.024 4.461 1.00 0.00 C ATOM 613 C ASP A 38 8.051 6.762 3.596 1.00 0.00 C ATOM 614 O ASP A 38 8.624 5.743 3.927 1.00 0.00 O ATOM 615 CB ASP A 38 8.998 7.762 5.681 1.00 0.00 C ATOM 616 CG ASP A 38 9.965 8.931 5.872 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.646 9.271 4.919 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.009 9.465 6.967 1.00 0.00 O ATOM 0 H ASP A 38 6.107 7.595 5.049 1.00 0.00 H new ATOM 0 HA ASP A 38 8.532 8.845 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.381 7.638 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.554 6.834 5.547 1.00 0.00 H new ATOM 623 N ALA A 39 7.359 6.823 2.491 1.00 0.00 N ATOM 624 CA ALA A 39 7.260 5.627 1.608 1.00 0.00 C ATOM 625 C ALA A 39 7.904 5.939 0.256 1.00 0.00 C ATOM 626 O ALA A 39 7.580 6.919 -0.385 1.00 0.00 O ATOM 627 CB ALA A 39 5.787 5.266 1.402 1.00 0.00 C ATOM 0 H ALA A 39 6.858 7.649 2.162 1.00 0.00 H new ATOM 0 HA ALA A 39 7.777 4.787 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.714 4.391 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.328 5.045 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.268 6.105 0.937 1.00 0.00 H new ATOM 633 N ASP A 40 8.815 5.114 -0.182 1.00 0.00 N ATOM 634 CA ASP A 40 9.479 5.363 -1.492 1.00 0.00 C ATOM 635 C ASP A 40 8.537 4.958 -2.627 1.00 0.00 C ATOM 636 O ASP A 40 8.450 5.623 -3.640 1.00 0.00 O ATOM 637 CB ASP A 40 10.765 4.537 -1.576 1.00 0.00 C ATOM 638 CG ASP A 40 11.686 4.908 -0.413 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.194 5.012 0.698 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.870 5.083 -0.653 1.00 0.00 O ATOM 0 H ASP A 40 9.128 4.278 0.311 1.00 0.00 H new ATOM 0 HA ASP A 40 9.720 6.422 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.529 3.473 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.268 4.722 -2.525 1.00 0.00 H new ATOM 645 N ALA A 41 7.832 3.871 -2.468 1.00 0.00 N ATOM 646 CA ALA A 41 6.898 3.426 -3.541 1.00 0.00 C ATOM 647 C ALA A 41 5.488 3.278 -2.964 1.00 0.00 C ATOM 648 O ALA A 41 5.298 2.706 -1.908 1.00 0.00 O ATOM 649 CB ALA A 41 7.367 2.081 -4.097 1.00 0.00 C ATOM 0 H ALA A 41 7.862 3.273 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 41 6.885 4.166 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.685 1.754 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.370 2.188 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.380 1.341 -3.297 1.00 0.00 H new ATOM 655 N VAL A 42 4.499 3.786 -3.648 1.00 0.00 N ATOM 656 CA VAL A 42 3.103 3.671 -3.138 1.00 0.00 C ATOM 657 C VAL A 42 2.293 2.768 -4.069 1.00 0.00 C ATOM 658 O VAL A 42 2.478 2.773 -5.270 1.00 0.00 O ATOM 659 CB VAL A 42 2.465 5.060 -3.091 1.00 0.00 C ATOM 660 CG1 VAL A 42 1.047 4.953 -2.526 1.00 0.00 C ATOM 661 CG2 VAL A 42 3.302 5.973 -2.192 1.00 0.00 C ATOM 0 H VAL A 42 4.597 4.275 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 42 3.114 3.241 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 42 2.424 5.475 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.593 5.943 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.450 4.301 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.087 4.538 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.849 6.964 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.341 5.556 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.313 6.050 -2.592 1.00 0.00 H new ATOM 671 N ILE A 43 1.395 1.991 -3.526 1.00 0.00 N ATOM 672 CA ILE A 43 0.575 1.090 -4.384 1.00 0.00 C ATOM 673 C ILE A 43 -0.892 1.182 -3.964 1.00 0.00 C ATOM 674 O ILE A 43 -1.310 0.582 -2.994 1.00 0.00 O ATOM 675 CB ILE A 43 1.063 -0.351 -4.224 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.544 -0.432 -4.596 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.256 -1.268 -5.146 1.00 0.00 C ATOM 678 CD1 ILE A 43 3.243 -1.446 -3.689 1.00 0.00 C ATOM 0 H ILE A 43 1.194 1.942 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 43 0.674 1.392 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 43 0.930 -0.667 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.652 -0.727 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.010 0.548 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.603 -2.295 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.800 -1.211 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.389 -0.952 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.299 -1.504 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.146 -1.132 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.783 -2.426 -3.816 1.00 0.00 H new ATOM 690 N VAL A 44 -1.678 1.929 -4.689 1.00 0.00 N ATOM 691 CA VAL A 44 -3.119 2.061 -4.332 1.00 0.00 C ATOM 692 C VAL A 44 -3.930 1.013 -5.095 1.00 0.00 C ATOM 693 O VAL A 44 -3.740 0.805 -6.277 1.00 0.00 O ATOM 694 CB VAL A 44 -3.609 3.460 -4.708 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.020 3.672 -4.158 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.664 4.506 -4.109 1.00 0.00 C ATOM 0 H VAL A 44 -1.385 2.454 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.245 1.908 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.625 3.562 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.369 4.669 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.692 2.926 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.006 3.572 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.011 5.504 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.650 4.404 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.658 4.355 -4.501 1.00 0.00 H new ATOM 706 N LEU A 45 -4.832 0.347 -4.427 1.00 0.00 N ATOM 707 CA LEU A 45 -5.654 -0.689 -5.113 1.00 0.00 C ATOM 708 C LEU A 45 -6.947 -0.056 -5.633 1.00 0.00 C ATOM 709 O LEU A 45 -7.591 0.713 -4.948 1.00 0.00 O ATOM 710 CB LEU A 45 -5.996 -1.805 -4.124 1.00 0.00 C ATOM 711 CG LEU A 45 -5.198 -3.061 -4.476 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.677 -3.607 -5.823 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.711 -2.712 -4.566 1.00 0.00 C ATOM 0 H LEU A 45 -5.035 0.476 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.091 -1.103 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.765 -1.488 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.064 -2.019 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.347 -3.816 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.109 -4.502 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.736 -3.855 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.527 -2.853 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.142 -3.607 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.560 -1.958 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.370 -2.322 -3.607 1.00 0.00 H new ATOM 725 N ALA A 46 -7.330 -0.372 -6.841 1.00 0.00 N ATOM 726 CA ALA A 46 -8.582 0.214 -7.400 1.00 0.00 C ATOM 727 C ALA A 46 -9.766 -0.698 -7.070 1.00 0.00 C ATOM 728 O ALA A 46 -10.860 -0.515 -7.566 1.00 0.00 O ATOM 729 CB ALA A 46 -8.447 0.344 -8.919 1.00 0.00 C ATOM 0 H ALA A 46 -6.832 -1.009 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.750 1.198 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.361 0.772 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.604 0.993 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.280 -0.641 -9.355 1.00 0.00 H new ATOM 735 N GLY A 47 -9.558 -1.680 -6.236 1.00 0.00 N ATOM 736 CA GLY A 47 -10.674 -2.601 -5.876 1.00 0.00 C ATOM 737 C GLY A 47 -11.408 -2.064 -4.646 1.00 0.00 C ATOM 738 O GLY A 47 -12.565 -2.364 -4.422 1.00 0.00 O ATOM 0 H GLY A 47 -8.665 -1.885 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.366 -2.694 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.284 -3.598 -5.672 1.00 0.00 H new ATOM 742 N LEU A 48 -10.747 -1.272 -3.848 1.00 0.00 N ATOM 743 CA LEU A 48 -11.405 -0.715 -2.633 1.00 0.00 C ATOM 744 C LEU A 48 -12.172 0.555 -3.010 1.00 0.00 C ATOM 745 O LEU A 48 -12.597 1.311 -2.157 1.00 0.00 O ATOM 746 CB LEU A 48 -10.341 -0.376 -1.587 1.00 0.00 C ATOM 747 CG LEU A 48 -10.116 -1.582 -0.675 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.941 -2.411 -1.201 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.800 -1.095 0.741 1.00 0.00 C ATOM 0 H LEU A 48 -9.778 -0.986 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.096 -1.451 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.408 -0.100 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.657 0.485 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.015 -2.198 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.782 -3.270 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.163 -2.757 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.041 -1.797 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.639 -1.953 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.900 -0.480 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.635 -0.505 1.118 1.00 0.00 H new ATOM 761 N TRP A 49 -12.351 0.796 -4.279 1.00 0.00 N ATOM 762 CA TRP A 49 -13.087 2.016 -4.709 1.00 0.00 C ATOM 763 C TRP A 49 -14.560 1.888 -4.316 1.00 0.00 C ATOM 764 O TRP A 49 -15.247 2.871 -4.115 1.00 0.00 O ATOM 765 CB TRP A 49 -12.972 2.165 -6.227 1.00 0.00 C ATOM 766 CG TRP A 49 -13.124 3.603 -6.597 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.249 4.330 -6.422 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.143 4.498 -7.195 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.024 5.618 -6.876 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.740 5.770 -7.363 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.807 4.330 -7.605 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.035 6.840 -7.918 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.094 5.404 -8.164 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.707 6.657 -8.319 1.00 0.00 C ATOM 0 H TRP A 49 -12.019 0.200 -5.037 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.659 2.893 -4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.007 1.790 -6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.738 1.568 -6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.173 3.966 -5.997 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.720 6.363 -6.854 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.327 3.370 -7.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.511 7.802 -8.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.069 5.265 -8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.154 7.480 -8.748 1.00 0.00 H new ATOM 785 N GLY A 50 -15.053 0.685 -4.205 1.00 0.00 N ATOM 786 CA GLY A 50 -16.482 0.497 -3.823 1.00 0.00 C ATOM 787 C GLY A 50 -16.572 0.189 -2.327 1.00 0.00 C ATOM 788 O GLY A 50 -17.483 -0.475 -1.875 1.00 0.00 O ATOM 0 H GLY A 50 -14.529 -0.176 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.053 1.396 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.920 -0.317 -4.400 1.00 0.00 H new ATOM 792 N THR A 51 -15.633 0.668 -1.556 1.00 0.00 N ATOM 793 CA THR A 51 -15.665 0.403 -0.090 1.00 0.00 C ATOM 794 C THR A 51 -15.178 1.644 0.663 1.00 0.00 C ATOM 795 O THR A 51 -15.921 2.268 1.395 1.00 0.00 O ATOM 796 CB THR A 51 -14.752 -0.781 0.234 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.491 -0.590 -0.392 1.00 0.00 O ATOM 798 CG2 THR A 51 -15.387 -2.075 -0.279 1.00 0.00 C ATOM 0 H THR A 51 -14.846 1.231 -1.878 1.00 0.00 H new ATOM 0 HA THR A 51 -16.685 0.169 0.215 1.00 0.00 H new ATOM 0 HB THR A 51 -14.616 -0.849 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.818 -1.147 0.052 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.735 -2.917 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.354 -2.222 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 51 -15.525 -2.010 -1.358 1.00 0.00 H new ATOM 806 N ARG A 52 -13.937 2.008 0.489 1.00 0.00 N ATOM 807 CA ARG A 52 -13.405 3.209 1.193 1.00 0.00 C ATOM 808 C ARG A 52 -12.916 4.227 0.160 1.00 0.00 C ATOM 809 O ARG A 52 -11.770 4.629 0.163 1.00 0.00 O ATOM 810 CB ARG A 52 -12.241 2.797 2.098 1.00 0.00 C ATOM 811 CG ARG A 52 -12.723 2.734 3.549 1.00 0.00 C ATOM 812 CD ARG A 52 -11.970 1.629 4.292 1.00 0.00 C ATOM 813 NE ARG A 52 -12.548 1.468 5.656 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.915 0.765 6.555 1.00 0.00 C ATOM 815 NH1 ARG A 52 -12.071 -0.531 6.597 1.00 0.00 N ATOM 816 NH2 ARG A 52 -11.129 1.356 7.412 1.00 0.00 N ATOM 0 H ARG A 52 -13.268 1.525 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.193 3.656 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.852 1.826 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.423 3.512 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.558 3.693 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.795 2.541 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.042 0.691 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.911 1.878 4.361 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.439 1.908 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.687 -0.992 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.577 -1.082 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.009 2.368 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.635 0.806 8.114 1.00 0.00 H new ATOM 830 N ARG A 53 -13.779 4.642 -0.725 1.00 0.00 N ATOM 831 CA ARG A 53 -13.373 5.631 -1.764 1.00 0.00 C ATOM 832 C ARG A 53 -12.802 6.883 -1.091 1.00 0.00 C ATOM 833 O ARG A 53 -11.889 7.505 -1.596 1.00 0.00 O ATOM 834 CB ARG A 53 -14.595 6.014 -2.600 1.00 0.00 C ATOM 835 CG ARG A 53 -14.147 6.790 -3.838 1.00 0.00 C ATOM 836 CD ARG A 53 -15.088 7.974 -4.063 1.00 0.00 C ATOM 837 NE ARG A 53 -14.458 8.940 -5.005 1.00 0.00 N ATOM 838 CZ ARG A 53 -15.009 10.106 -5.205 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.136 10.192 -5.857 1.00 0.00 N ATOM 840 NH2 ARG A 53 -14.433 11.187 -4.753 1.00 0.00 N ATOM 0 H ARG A 53 -14.751 4.338 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.611 5.190 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.140 5.118 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.279 6.620 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.124 7.144 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.151 6.137 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.039 7.625 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.305 8.465 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.598 8.691 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.586 9.348 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.567 11.103 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.552 11.120 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.864 12.098 -4.910 1.00 0.00 H new ATOM 854 N ASP A 54 -13.333 7.259 0.041 1.00 0.00 N ATOM 855 CA ASP A 54 -12.818 8.471 0.738 1.00 0.00 C ATOM 856 C ASP A 54 -11.453 8.167 1.361 1.00 0.00 C ATOM 857 O ASP A 54 -10.492 8.880 1.153 1.00 0.00 O ATOM 858 CB ASP A 54 -13.799 8.886 1.839 1.00 0.00 C ATOM 859 CG ASP A 54 -14.280 10.319 1.592 1.00 0.00 C ATOM 860 OD1 ASP A 54 -13.955 10.864 0.550 1.00 0.00 O ATOM 861 OD2 ASP A 54 -14.967 10.847 2.450 1.00 0.00 O ATOM 0 H ASP A 54 -14.100 6.780 0.512 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.715 9.283 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.650 8.205 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.316 8.818 2.814 1.00 0.00 H new ATOM 866 N GLU A 55 -11.362 7.115 2.128 1.00 0.00 N ATOM 867 CA GLU A 55 -10.058 6.771 2.766 1.00 0.00 C ATOM 868 C GLU A 55 -8.953 6.769 1.707 1.00 0.00 C ATOM 869 O GLU A 55 -7.842 7.192 1.957 1.00 0.00 O ATOM 870 CB GLU A 55 -10.152 5.383 3.404 1.00 0.00 C ATOM 871 CG GLU A 55 -9.441 5.394 4.758 1.00 0.00 C ATOM 872 CD GLU A 55 -8.051 4.771 4.610 1.00 0.00 C ATOM 873 OE1 GLU A 55 -7.814 4.134 3.596 1.00 0.00 O ATOM 874 OE2 GLU A 55 -7.248 4.941 5.512 1.00 0.00 O ATOM 0 H GLU A 55 -12.131 6.480 2.340 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.825 7.510 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.197 5.100 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.699 4.639 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.356 6.416 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.024 4.837 5.492 1.00 0.00 H new ATOM 881 N ILE A 56 -9.248 6.295 0.526 1.00 0.00 N ATOM 882 CA ILE A 56 -8.211 6.264 -0.544 1.00 0.00 C ATOM 883 C ILE A 56 -7.938 7.686 -1.037 1.00 0.00 C ATOM 884 O ILE A 56 -6.809 8.132 -1.082 1.00 0.00 O ATOM 885 CB ILE A 56 -8.707 5.406 -1.709 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.716 3.934 -1.289 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.776 5.588 -2.909 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.914 3.228 -1.926 1.00 0.00 C ATOM 0 H ILE A 56 -10.161 5.929 0.257 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.291 5.838 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.716 5.713 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.789 3.451 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.769 3.855 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.129 4.977 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.768 6.636 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.766 5.281 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.920 2.180 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.836 3.705 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.841 3.295 -3.011 1.00 0.00 H new ATOM 900 N LEU A 57 -8.964 8.402 -1.410 1.00 0.00 N ATOM 901 CA LEU A 57 -8.761 9.795 -1.902 1.00 0.00 C ATOM 902 C LEU A 57 -7.829 10.541 -0.946 1.00 0.00 C ATOM 903 O LEU A 57 -7.082 11.414 -1.345 1.00 0.00 O ATOM 904 CB LEU A 57 -10.109 10.515 -1.965 1.00 0.00 C ATOM 905 CG LEU A 57 -9.931 11.876 -2.639 1.00 0.00 C ATOM 906 CD1 LEU A 57 -9.984 11.707 -4.158 1.00 0.00 C ATOM 907 CD2 LEU A 57 -11.054 12.814 -2.194 1.00 0.00 C ATOM 0 H LEU A 57 -9.933 8.083 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.317 9.768 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.829 9.914 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.511 10.645 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.967 12.298 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.857 12.678 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.185 11.038 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.947 11.285 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.929 13.785 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.017 12.390 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.018 12.937 -1.112 1.00 0.00 H new ATOM 919 N GLY A 58 -7.864 10.205 0.315 1.00 0.00 N ATOM 920 CA GLY A 58 -6.979 10.895 1.295 1.00 0.00 C ATOM 921 C GLY A 58 -5.521 10.538 1.002 1.00 0.00 C ATOM 922 O GLY A 58 -4.665 11.396 0.924 1.00 0.00 O ATOM 0 H GLY A 58 -8.467 9.483 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.120 11.974 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.241 10.598 2.310 1.00 0.00 H new ATOM 926 N ALA A 59 -5.234 9.276 0.839 1.00 0.00 N ATOM 927 CA ALA A 59 -3.832 8.864 0.551 1.00 0.00 C ATOM 928 C ALA A 59 -3.356 9.541 -0.736 1.00 0.00 C ATOM 929 O ALA A 59 -2.326 10.184 -0.765 1.00 0.00 O ATOM 930 CB ALA A 59 -3.775 7.345 0.376 1.00 0.00 C ATOM 0 H ALA A 59 -5.909 8.513 0.893 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.188 9.161 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.750 7.041 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.116 6.860 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.419 7.050 -0.453 1.00 0.00 H new ATOM 936 N VAL A 60 -4.097 9.399 -1.800 1.00 0.00 N ATOM 937 CA VAL A 60 -3.688 10.031 -3.086 1.00 0.00 C ATOM 938 C VAL A 60 -3.375 11.511 -2.854 1.00 0.00 C ATOM 939 O VAL A 60 -2.434 12.049 -3.404 1.00 0.00 O ATOM 940 CB VAL A 60 -4.829 9.906 -4.099 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.475 10.687 -5.366 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.039 8.431 -4.452 1.00 0.00 C ATOM 0 H VAL A 60 -4.969 8.872 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.800 9.529 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.744 10.311 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.287 10.598 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.325 11.737 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.560 10.283 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.851 8.342 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.124 8.026 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.292 7.873 -3.550 1.00 0.00 H new ATOM 952 N ASP A 61 -4.157 12.174 -2.048 1.00 0.00 N ATOM 953 CA ASP A 61 -3.907 13.620 -1.786 1.00 0.00 C ATOM 954 C ASP A 61 -2.587 13.786 -1.030 1.00 0.00 C ATOM 955 O ASP A 61 -1.852 14.729 -1.245 1.00 0.00 O ATOM 956 CB ASP A 61 -5.051 14.191 -0.945 1.00 0.00 C ATOM 957 CG ASP A 61 -5.936 15.077 -1.824 1.00 0.00 C ATOM 958 OD1 ASP A 61 -6.579 14.541 -2.712 1.00 0.00 O ATOM 959 OD2 ASP A 61 -5.955 16.274 -1.594 1.00 0.00 O ATOM 0 H ASP A 61 -4.959 11.777 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.850 14.154 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.641 13.381 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.651 14.770 -0.112 1.00 0.00 H new ATOM 964 N LEU A 62 -2.280 12.878 -0.144 1.00 0.00 N ATOM 965 CA LEU A 62 -1.008 12.988 0.625 1.00 0.00 C ATOM 966 C LEU A 62 0.179 12.872 -0.332 1.00 0.00 C ATOM 967 O LEU A 62 1.110 13.651 -0.281 1.00 0.00 O ATOM 968 CB LEU A 62 -0.938 11.866 1.662 1.00 0.00 C ATOM 969 CG LEU A 62 0.354 11.996 2.469 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.021 12.050 3.961 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.251 10.788 2.191 1.00 0.00 C ATOM 0 H LEU A 62 -2.854 12.066 0.080 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.974 13.953 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.801 11.916 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.973 10.896 1.166 1.00 0.00 H new ATOM 0 HG LEU A 62 0.873 12.910 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.942 12.143 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.619 12.909 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.498 11.136 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.173 10.879 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.732 9.875 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.489 10.748 1.128 1.00 0.00 H new ATOM 983 N ALA A 63 0.156 11.902 -1.205 1.00 0.00 N ATOM 984 CA ALA A 63 1.284 11.735 -2.164 1.00 0.00 C ATOM 985 C ALA A 63 1.297 12.907 -3.146 1.00 0.00 C ATOM 986 O ALA A 63 2.322 13.256 -3.699 1.00 0.00 O ATOM 987 CB ALA A 63 1.109 10.425 -2.934 1.00 0.00 C ATOM 0 H ALA A 63 -0.595 11.218 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 63 2.226 11.711 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.934 10.302 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.101 9.590 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.167 10.448 -3.482 1.00 0.00 H new ATOM 993 N ARG A 64 0.166 13.520 -3.370 1.00 0.00 N ATOM 994 CA ARG A 64 0.118 14.668 -4.318 1.00 0.00 C ATOM 995 C ARG A 64 0.694 15.916 -3.642 1.00 0.00 C ATOM 996 O ARG A 64 0.744 16.980 -4.226 1.00 0.00 O ATOM 997 CB ARG A 64 -1.333 14.936 -4.724 1.00 0.00 C ATOM 998 CG ARG A 64 -1.419 15.079 -6.245 1.00 0.00 C ATOM 999 CD ARG A 64 -1.429 16.562 -6.620 1.00 0.00 C ATOM 1000 NE ARG A 64 -0.096 16.949 -7.163 1.00 0.00 N ATOM 1001 CZ ARG A 64 0.077 18.128 -7.697 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -0.948 18.906 -7.914 1.00 0.00 N ATOM 1003 NH2 ARG A 64 1.278 18.531 -8.012 1.00 0.00 N ATOM 0 H ARG A 64 -0.725 13.275 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 64 0.707 14.429 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.973 14.120 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.695 15.844 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.572 14.580 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.322 14.593 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.205 16.755 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.666 17.167 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 64 0.683 16.292 -7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.887 18.594 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.810 19.827 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.080 17.925 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.414 19.452 -8.429 1.00 0.00 H new ATOM 1017 N LYS A 65 1.129 15.796 -2.417 1.00 0.00 N ATOM 1018 CA LYS A 65 1.699 16.978 -1.712 1.00 0.00 C ATOM 1019 C LYS A 65 2.948 17.461 -2.453 1.00 0.00 C ATOM 1020 O LYS A 65 3.100 18.634 -2.733 1.00 0.00 O ATOM 1021 CB LYS A 65 2.076 16.589 -0.281 1.00 0.00 C ATOM 1022 CG LYS A 65 2.032 17.828 0.615 1.00 0.00 C ATOM 1023 CD LYS A 65 0.581 18.285 0.786 1.00 0.00 C ATOM 1024 CE LYS A 65 -0.031 17.598 2.006 1.00 0.00 C ATOM 1025 NZ LYS A 65 -1.512 17.538 1.852 1.00 0.00 N ATOM 0 H LYS A 65 1.114 14.932 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 65 0.957 17.777 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.388 15.832 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.074 16.150 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.470 17.602 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.627 18.629 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.542 19.367 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.005 18.043 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.375 16.592 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.229 18.144 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.929 17.070 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.892 18.503 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.750 16.999 0.995 1.00 0.00 H new ATOM 1039 N SER A 66 3.842 16.568 -2.772 1.00 0.00 N ATOM 1040 CA SER A 66 5.079 16.976 -3.494 1.00 0.00 C ATOM 1041 C SER A 66 5.148 16.251 -4.840 1.00 0.00 C ATOM 1042 O SER A 66 4.936 16.835 -5.884 1.00 0.00 O ATOM 1043 CB SER A 66 6.303 16.607 -2.655 1.00 0.00 C ATOM 1044 OG SER A 66 6.948 17.795 -2.214 1.00 0.00 O ATOM 0 H SER A 66 3.770 15.572 -2.564 1.00 0.00 H new ATOM 0 HA SER A 66 5.063 18.053 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.002 16.004 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.993 16.003 -3.244 1.00 0.00 H new ATOM 0 HG SER A 66 7.732 17.561 -1.675 1.00 0.00 H new ATOM 1050 N SER A 67 5.443 14.981 -4.820 1.00 0.00 N ATOM 1051 CA SER A 67 5.529 14.212 -6.092 1.00 0.00 C ATOM 1052 C SER A 67 5.855 12.752 -5.772 1.00 0.00 C ATOM 1053 O SER A 67 6.852 12.217 -6.213 1.00 0.00 O ATOM 1054 CB SER A 67 6.632 14.801 -6.971 1.00 0.00 C ATOM 1055 OG SER A 67 7.897 14.505 -6.396 1.00 0.00 O ATOM 0 H SER A 67 5.629 14.441 -3.975 1.00 0.00 H new ATOM 0 HA SER A 67 4.578 14.269 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.571 14.387 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.504 15.880 -7.062 1.00 0.00 H new ATOM 0 HG SER A 67 8.033 13.535 -6.387 1.00 0.00 H new ATOM 1061 N LYS A 68 5.023 12.109 -5.000 1.00 0.00 N ATOM 1062 CA LYS A 68 5.286 10.687 -4.641 1.00 0.00 C ATOM 1063 C LYS A 68 4.865 9.771 -5.794 1.00 0.00 C ATOM 1064 O LYS A 68 4.005 10.117 -6.578 1.00 0.00 O ATOM 1065 CB LYS A 68 4.485 10.327 -3.387 1.00 0.00 C ATOM 1066 CG LYS A 68 5.324 10.626 -2.144 1.00 0.00 C ATOM 1067 CD LYS A 68 5.138 9.502 -1.124 1.00 0.00 C ATOM 1068 CE LYS A 68 3.836 9.724 -0.353 1.00 0.00 C ATOM 1069 NZ LYS A 68 4.010 9.279 1.058 1.00 0.00 N ATOM 0 H LYS A 68 4.172 12.507 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 68 6.351 10.555 -4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.557 10.898 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.210 9.273 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.376 10.716 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.024 11.580 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.113 8.537 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.982 9.479 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.560 10.778 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.024 9.169 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.082 9.042 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.624 8.440 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.445 10.044 1.612 1.00 0.00 H new ATOM 1083 N PRO A 69 5.491 8.621 -5.855 1.00 0.00 N ATOM 1084 CA PRO A 69 5.212 7.617 -6.898 1.00 0.00 C ATOM 1085 C PRO A 69 3.935 6.841 -6.561 1.00 0.00 C ATOM 1086 O PRO A 69 3.940 5.940 -5.743 1.00 0.00 O ATOM 1087 CB PRO A 69 6.437 6.699 -6.845 1.00 0.00 C ATOM 1088 CG PRO A 69 7.053 6.873 -5.436 1.00 0.00 C ATOM 1089 CD PRO A 69 6.535 8.217 -4.891 1.00 0.00 C ATOM 0 HA PRO A 69 5.053 8.053 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.152 5.661 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.156 6.966 -7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.761 6.052 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.142 6.869 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.128 8.109 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.333 8.958 -4.834 1.00 0.00 H new ATOM 1097 N ILE A 70 2.841 7.184 -7.185 1.00 0.00 N ATOM 1098 CA ILE A 70 1.564 6.470 -6.902 1.00 0.00 C ATOM 1099 C ILE A 70 1.259 5.494 -8.040 1.00 0.00 C ATOM 1100 O ILE A 70 1.025 5.890 -9.165 1.00 0.00 O ATOM 1101 CB ILE A 70 0.427 7.488 -6.787 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.956 8.771 -6.141 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.694 6.911 -5.922 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.082 9.884 -6.292 1.00 0.00 C ATOM 0 H ILE A 70 2.777 7.929 -7.879 1.00 0.00 H new ATOM 0 HA ILE A 70 1.657 5.918 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 70 0.040 7.711 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.169 8.598 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.894 9.068 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.502 7.638 -5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.072 5.997 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.308 6.687 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.295 10.798 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.273 10.063 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.009 9.586 -5.802 1.00 0.00 H new ATOM 1116 N ILE A 71 1.258 4.220 -7.756 1.00 0.00 N ATOM 1117 CA ILE A 71 0.966 3.221 -8.824 1.00 0.00 C ATOM 1118 C ILE A 71 -0.449 2.671 -8.629 1.00 0.00 C ATOM 1119 O ILE A 71 -0.822 2.254 -7.550 1.00 0.00 O ATOM 1120 CB ILE A 71 1.984 2.080 -8.743 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.327 2.560 -9.299 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.491 0.888 -9.568 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.343 2.674 -8.161 1.00 0.00 C ATOM 0 H ILE A 71 1.446 3.828 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 71 1.036 3.695 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 71 2.103 1.775 -7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.689 1.863 -10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.205 3.526 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.218 0.078 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.533 0.546 -9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.370 1.191 -10.608 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.298 3.016 -8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.982 3.388 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.474 1.699 -7.691 1.00 0.00 H new ATOM 1135 N THR A 72 -1.243 2.670 -9.666 1.00 0.00 N ATOM 1136 CA THR A 72 -2.634 2.152 -9.540 1.00 0.00 C ATOM 1137 C THR A 72 -2.678 0.681 -9.958 1.00 0.00 C ATOM 1138 O THR A 72 -2.155 0.301 -10.987 1.00 0.00 O ATOM 1139 CB THR A 72 -3.561 2.964 -10.448 1.00 0.00 C ATOM 1140 OG1 THR A 72 -4.907 2.571 -10.221 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.192 2.714 -11.911 1.00 0.00 C ATOM 0 H THR A 72 -0.988 3.006 -10.595 1.00 0.00 H new ATOM 0 HA THR A 72 -2.960 2.243 -8.504 1.00 0.00 H new ATOM 0 HB THR A 72 -3.451 4.025 -10.225 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.432 2.717 -11.035 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.853 3.293 -12.557 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.159 3.018 -12.083 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.301 1.653 -12.138 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.301 -0.151 -9.168 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.381 -1.595 -9.522 1.00 0.00 C ATOM 1151 C VAL A 73 -4.808 -1.932 -9.961 1.00 0.00 C ATOM 1152 O VAL A 73 -5.756 -1.759 -9.218 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.005 -2.444 -8.306 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -2.878 -3.909 -8.728 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.667 -1.962 -7.742 1.00 0.00 C ATOM 0 H VAL A 73 -3.758 0.108 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.689 -1.808 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.778 -2.349 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.610 -4.515 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.829 -4.255 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.104 -4.002 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.398 -2.566 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.895 -2.058 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.753 -0.917 -7.443 1.00 0.00 H new ATOM 1165 N ARG A 74 -4.964 -2.412 -11.166 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.324 -2.763 -11.664 1.00 0.00 C ATOM 1167 C ARG A 74 -7.038 -3.645 -10.636 1.00 0.00 C ATOM 1168 O ARG A 74 -6.404 -4.276 -9.814 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.199 -3.524 -12.986 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.337 -2.546 -14.155 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.769 -3.308 -15.409 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.963 -2.348 -16.531 1.00 0.00 N ATOM 1173 CZ ARG A 74 -6.013 -1.509 -16.845 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -4.959 -1.929 -17.491 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -6.117 -0.252 -16.513 1.00 0.00 N ATOM 0 H ARG A 74 -4.205 -2.576 -11.828 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.899 -1.850 -11.818 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.236 -4.032 -13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.969 -4.293 -13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.070 -1.776 -13.914 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.389 -2.039 -14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.015 -4.048 -15.676 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.694 -3.851 -15.217 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.838 -2.346 -17.054 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.878 -2.912 -17.750 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.217 -1.274 -17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.940 0.076 -16.008 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.375 0.403 -16.758 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.345 -3.662 -10.720 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.191 -4.457 -9.813 1.00 0.00 C ATOM 1191 C PRO A 75 -9.206 -5.927 -10.248 1.00 0.00 C ATOM 1192 O PRO A 75 -8.381 -6.361 -11.028 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.577 -3.830 -9.977 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.575 -3.116 -11.351 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.100 -2.886 -11.726 1.00 0.00 C ATOM 0 HA PRO A 75 -8.841 -4.447 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.355 -4.592 -9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.781 -3.123 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.076 -3.724 -12.104 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.113 -2.170 -11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.888 -3.232 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.840 -1.828 -11.690 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.140 -6.692 -9.752 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.210 -8.131 -10.140 1.00 0.00 C ATOM 1205 C TYR A 76 -11.067 -8.272 -11.401 1.00 0.00 C ATOM 1206 O TYR A 76 -10.598 -8.701 -12.437 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.844 -8.936 -9.003 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.343 -10.361 -9.044 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -10.079 -10.980 -10.274 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -10.146 -11.068 -7.849 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.617 -12.304 -10.308 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -9.687 -12.391 -7.884 1.00 0.00 C ATOM 1213 CZ TYR A 76 -9.422 -13.009 -9.114 1.00 0.00 C ATOM 1214 OH TYR A 76 -8.970 -14.312 -9.147 1.00 0.00 O ATOM 0 H TYR A 76 -10.857 -6.384 -9.095 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.205 -8.506 -10.334 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.599 -8.482 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.930 -8.920 -9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.231 -10.437 -11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.348 -10.592 -6.901 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.412 -12.780 -11.256 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.537 -12.935 -6.963 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.888 -14.653 -8.232 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.319 -7.913 -11.320 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.207 -8.025 -12.512 1.00 0.00 C ATOM 1226 C GLY A 77 -14.662 -7.837 -12.082 1.00 0.00 C ATOM 1227 O GLY A 77 -15.483 -8.721 -12.231 1.00 0.00 O ATOM 0 H GLY A 77 -12.766 -7.547 -10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.935 -7.273 -13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.079 -8.999 -12.984 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.989 -6.693 -11.547 1.00 0.00 N ATOM 1232 CA LEU A 78 -16.392 -6.450 -11.106 1.00 0.00 C ATOM 1233 C LEU A 78 -16.902 -5.144 -11.720 1.00 0.00 C ATOM 1234 O LEU A 78 -17.957 -5.100 -12.321 1.00 0.00 O ATOM 1235 CB LEU A 78 -16.437 -6.348 -9.580 1.00 0.00 C ATOM 1236 CG LEU A 78 -17.782 -6.866 -9.070 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -17.574 -7.632 -7.762 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -18.722 -5.683 -8.824 1.00 0.00 C ATOM 0 H LEU A 78 -14.346 -5.916 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.023 -7.276 -11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.624 -6.927 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.294 -5.313 -9.270 1.00 0.00 H new ATOM 0 HG LEU A 78 -18.220 -7.532 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -18.534 -8.001 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.904 -8.474 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.136 -6.968 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -19.682 -6.050 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -18.283 -5.018 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.872 -5.137 -9.756 1.00 0.00 H new ATOM 1250 N GLU A 79 -16.162 -4.080 -11.571 1.00 0.00 N ATOM 1251 CA GLU A 79 -16.601 -2.780 -12.144 1.00 0.00 C ATOM 1252 C GLU A 79 -15.531 -2.273 -13.113 1.00 0.00 C ATOM 1253 O GLU A 79 -14.902 -3.041 -13.813 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.796 -1.772 -11.008 1.00 0.00 C ATOM 1255 CG GLU A 79 -15.446 -1.481 -10.349 1.00 0.00 C ATOM 1256 CD GLU A 79 -15.565 -1.650 -8.831 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -16.562 -2.200 -8.392 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -14.658 -1.226 -8.136 1.00 0.00 O ATOM 0 H GLU A 79 -15.271 -4.057 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.542 -2.905 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.230 -0.850 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -17.495 -2.168 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.686 -2.157 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.125 -0.467 -10.588 1.00 0.00 H new ATOM 1265 N ASN A 80 -15.318 -0.989 -13.160 1.00 0.00 N ATOM 1266 CA ASN A 80 -14.287 -0.438 -14.085 1.00 0.00 C ATOM 1267 C ASN A 80 -13.536 0.704 -13.397 1.00 0.00 C ATOM 1268 O ASN A 80 -14.082 1.416 -12.577 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.964 0.089 -15.353 1.00 0.00 C ATOM 1270 CG ASN A 80 -15.655 -1.065 -16.081 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.737 -1.474 -15.709 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -15.073 -1.612 -17.114 1.00 0.00 N ATOM 0 H ASN A 80 -15.813 -0.296 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.583 -1.227 -14.350 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.692 0.859 -15.096 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.225 0.554 -16.006 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.527 -2.381 -17.607 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.165 -1.270 -17.428 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.285 0.883 -13.725 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.495 1.977 -13.094 1.00 0.00 C ATOM 1281 C VAL A 81 -11.927 3.323 -13.688 1.00 0.00 C ATOM 1282 O VAL A 81 -12.175 3.421 -14.873 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.008 1.747 -13.376 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.167 2.702 -12.527 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.643 0.302 -13.029 1.00 0.00 C ATOM 0 H VAL A 81 -11.776 0.317 -14.404 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.667 1.984 -12.018 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.808 1.932 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.109 2.535 -12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.426 3.732 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.366 2.521 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.584 0.136 -13.229 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.846 0.119 -11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.238 -0.380 -13.637 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.006 4.325 -12.846 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.407 5.680 -13.264 1.00 0.00 C ATOM 1297 C PRO A 82 -11.244 6.393 -13.966 1.00 0.00 C ATOM 1298 O PRO A 82 -10.103 5.999 -13.827 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.761 6.373 -11.946 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.022 5.596 -10.831 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.704 4.202 -11.404 1.00 0.00 C ATOM 0 HA PRO A 82 -13.233 5.682 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.452 7.418 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.838 6.362 -11.779 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.108 6.113 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.642 5.516 -9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.661 3.931 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.313 3.430 -10.934 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.575 7.423 -14.701 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.586 8.222 -15.447 1.00 0.00 C ATOM 1311 C PRO A 83 -9.847 9.184 -14.511 1.00 0.00 C ATOM 1312 O PRO A 83 -9.084 10.024 -14.948 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.438 8.992 -16.459 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.873 9.036 -15.880 1.00 0.00 C ATOM 1315 CD PRO A 83 -12.970 7.886 -14.859 1.00 0.00 C ATOM 0 HA PRO A 83 -9.815 7.613 -15.919 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.048 9.999 -16.608 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.427 8.499 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.069 9.996 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.614 8.916 -16.671 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.386 8.229 -13.911 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.617 7.086 -15.220 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.063 9.071 -13.230 1.00 0.00 N ATOM 1324 CA GLU A 84 -9.370 9.981 -12.274 1.00 0.00 C ATOM 1325 C GLU A 84 -8.068 9.331 -11.805 1.00 0.00 C ATOM 1326 O GLU A 84 -7.032 9.964 -11.744 1.00 0.00 O ATOM 1327 CB GLU A 84 -10.274 10.237 -11.066 1.00 0.00 C ATOM 1328 CG GLU A 84 -10.081 11.674 -10.580 1.00 0.00 C ATOM 1329 CD GLU A 84 -10.956 12.615 -11.408 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -11.555 12.146 -12.363 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -11.012 13.787 -11.076 1.00 0.00 O ATOM 0 H GLU A 84 -10.689 8.388 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.148 10.926 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.317 10.070 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.037 9.536 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.344 11.751 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.033 11.962 -10.669 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.111 8.070 -11.472 1.00 0.00 N ATOM 1339 CA LEU A 85 -6.877 7.377 -11.005 1.00 0.00 C ATOM 1340 C LEU A 85 -5.900 7.222 -12.172 1.00 0.00 C ATOM 1341 O LEU A 85 -4.718 7.015 -11.981 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.244 5.995 -10.462 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.446 5.719 -9.186 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -6.932 6.646 -8.070 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.653 4.262 -8.764 1.00 0.00 C ATOM 0 H LEU A 85 -8.949 7.489 -11.503 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.408 7.967 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.313 5.947 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.031 5.231 -11.209 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.387 5.899 -9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.364 6.450 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.788 7.684 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.990 6.466 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.086 4.062 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.712 4.084 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.309 3.601 -9.559 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.383 7.314 -13.381 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.478 7.166 -14.555 1.00 0.00 C ATOM 1359 C GLU A 86 -4.824 8.513 -14.872 1.00 0.00 C ATOM 1360 O GLU A 86 -3.920 8.600 -15.680 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.287 6.697 -15.767 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.336 6.382 -16.923 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.146 6.030 -18.171 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -6.636 6.943 -18.814 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.263 4.851 -18.464 1.00 0.00 O ATOM 0 H GLU A 86 -7.363 7.485 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.705 6.432 -14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.869 5.812 -15.509 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.996 7.469 -16.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.694 7.240 -17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.683 5.551 -16.654 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.273 9.565 -14.244 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.675 10.904 -14.513 1.00 0.00 C ATOM 1374 C ALA A 87 -3.776 11.312 -13.343 1.00 0.00 C ATOM 1375 O ALA A 87 -3.161 12.360 -13.357 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.793 11.936 -14.678 1.00 0.00 C ATOM 0 H ALA A 87 -6.027 9.556 -13.557 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.081 10.857 -15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.358 12.916 -14.875 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.433 11.649 -15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.386 11.979 -13.764 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.693 10.493 -12.328 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.835 10.842 -11.161 1.00 0.00 C ATOM 1384 C VAL A 88 -1.788 9.747 -10.946 1.00 0.00 C ATOM 1385 O VAL A 88 -0.729 9.986 -10.401 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.706 10.968 -9.910 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.628 12.181 -10.049 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.552 9.703 -9.750 1.00 0.00 C ATOM 0 H VAL A 88 -4.181 9.600 -12.258 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.331 11.790 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.068 11.094 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.249 12.270 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.027 13.083 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.266 12.055 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.173 9.791 -8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.189 9.578 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.897 8.837 -9.651 1.00 0.00 H new ATOM 1398 N SER A 89 -2.074 8.546 -11.370 1.00 0.00 N ATOM 1399 CA SER A 89 -1.093 7.441 -11.186 1.00 0.00 C ATOM 1400 C SER A 89 -0.032 7.512 -12.285 1.00 0.00 C ATOM 1401 O SER A 89 -0.336 7.708 -13.444 1.00 0.00 O ATOM 1402 CB SER A 89 -1.818 6.097 -11.264 1.00 0.00 C ATOM 1403 OG SER A 89 -2.285 5.743 -9.969 1.00 0.00 O ATOM 0 H SER A 89 -2.943 8.283 -11.835 1.00 0.00 H new ATOM 0 HA SER A 89 -0.614 7.540 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.654 6.161 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.145 5.328 -11.644 1.00 0.00 H new ATOM 0 HG SER A 89 -3.211 6.046 -9.861 1.00 0.00 H new ATOM 1409 N SER A 90 1.213 7.351 -11.928 1.00 0.00 N ATOM 1410 CA SER A 90 2.293 7.407 -12.953 1.00 0.00 C ATOM 1411 C SER A 90 2.315 6.097 -13.743 1.00 0.00 C ATOM 1412 O SER A 90 2.780 6.046 -14.864 1.00 0.00 O ATOM 1413 CB SER A 90 3.642 7.610 -12.262 1.00 0.00 C ATOM 1414 OG SER A 90 4.105 6.362 -11.762 1.00 0.00 O ATOM 0 H SER A 90 1.528 7.183 -10.973 1.00 0.00 H new ATOM 0 HA SER A 90 2.106 8.238 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.365 8.024 -12.965 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.542 8.327 -11.447 1.00 0.00 H new ATOM 0 HG SER A 90 4.970 6.488 -11.320 1.00 0.00 H new ATOM 1420 N GLU A 91 1.817 5.037 -13.168 1.00 0.00 N ATOM 1421 CA GLU A 91 1.813 3.734 -13.890 1.00 0.00 C ATOM 1422 C GLU A 91 0.624 2.891 -13.421 1.00 0.00 C ATOM 1423 O GLU A 91 -0.011 3.191 -12.429 1.00 0.00 O ATOM 1424 CB GLU A 91 3.113 2.984 -13.597 1.00 0.00 C ATOM 1425 CG GLU A 91 3.263 1.823 -14.582 1.00 0.00 C ATOM 1426 CD GLU A 91 4.731 1.393 -14.647 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.558 2.228 -14.975 1.00 0.00 O ATOM 1428 OE2 GLU A 91 5.002 0.235 -14.370 1.00 0.00 O ATOM 0 H GLU A 91 1.414 5.017 -12.231 1.00 0.00 H new ATOM 0 HA GLU A 91 1.730 3.915 -14.962 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.963 3.660 -13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.107 2.609 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.641 0.984 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.917 2.124 -15.571 1.00 0.00 H new ATOM 1435 N VAL A 92 0.320 1.836 -14.128 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.825 0.970 -13.728 1.00 0.00 C ATOM 1437 C VAL A 92 -0.424 -0.499 -13.877 1.00 0.00 C ATOM 1438 O VAL A 92 -0.209 -0.986 -14.970 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.029 1.273 -14.625 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -1.572 1.354 -16.083 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -3.071 0.160 -14.480 1.00 0.00 C ATOM 0 H VAL A 92 0.817 1.536 -14.967 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.092 1.168 -12.690 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.470 2.224 -14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.429 1.570 -16.721 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.832 2.147 -16.189 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.129 0.403 -16.379 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.927 0.377 -15.119 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.630 -0.792 -14.776 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.399 0.101 -13.442 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.318 -1.209 -12.788 1.00 0.00 N ATOM 1452 CA VAL A 93 0.070 -2.646 -12.869 1.00 0.00 C ATOM 1453 C VAL A 93 -1.185 -3.519 -12.844 1.00 0.00 C ATOM 1454 O VAL A 93 -2.195 -3.156 -12.276 1.00 0.00 O ATOM 1455 CB VAL A 93 0.960 -3.000 -11.677 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.754 -4.269 -11.992 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.928 -1.848 -11.404 1.00 0.00 C ATOM 0 H VAL A 93 -0.483 -0.857 -11.845 1.00 0.00 H new ATOM 0 HA VAL A 93 0.615 -2.822 -13.797 1.00 0.00 H new ATOM 0 HB VAL A 93 0.339 -3.169 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.388 -4.521 -11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.065 -5.091 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.375 -4.100 -12.871 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.563 -2.100 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.549 -1.679 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.363 -0.943 -11.179 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.127 -4.673 -13.453 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.314 -5.573 -13.462 1.00 0.00 C ATOM 1469 C GLY A 94 -2.231 -6.534 -12.275 1.00 0.00 C ATOM 1470 O GLY A 94 -1.657 -6.221 -11.251 1.00 0.00 O ATOM 0 H GLY A 94 -0.308 -5.031 -13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.230 -4.985 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.352 -6.134 -14.396 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.796 -7.703 -12.403 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.743 -8.679 -11.280 1.00 0.00 C ATOM 1476 C TRP A 95 -1.653 -9.715 -11.559 1.00 0.00 C ATOM 1477 O TRP A 95 -1.734 -10.848 -11.126 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.097 -9.379 -11.147 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.906 -8.697 -10.091 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.491 -7.485 -10.224 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.229 -9.161 -8.747 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.153 -7.175 -9.049 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.021 -8.177 -8.109 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.914 -10.331 -8.029 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.484 -8.347 -6.803 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.379 -10.504 -6.712 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -6.163 -9.514 -6.102 1.00 0.00 C ATOM 0 H TRP A 95 -3.291 -8.023 -13.235 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.516 -8.155 -10.351 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.627 -9.354 -12.099 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.953 -10.428 -10.889 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.448 -6.861 -11.104 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -6.675 -6.312 -8.896 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.312 -11.099 -8.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.087 -7.582 -6.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.131 -11.404 -6.168 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.519 -9.653 -5.092 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.633 -9.333 -12.276 1.00 0.00 N ATOM 1499 CA ASN A 96 0.466 -10.290 -12.584 1.00 0.00 C ATOM 1500 C ASN A 96 1.675 -9.977 -11.696 1.00 0.00 C ATOM 1501 O ASN A 96 1.792 -8.887 -11.172 1.00 0.00 O ATOM 1502 CB ASN A 96 0.863 -10.152 -14.054 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.049 -11.026 -14.917 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.059 -11.514 -14.450 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.264 -11.242 -16.165 1.00 0.00 N ATOM 0 H ASN A 96 -0.513 -8.397 -12.663 1.00 0.00 H new ATOM 0 HA ASN A 96 0.128 -11.309 -12.394 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.786 -9.110 -14.365 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.903 -10.449 -14.190 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.339 -11.821 -16.749 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.112 -10.832 -16.556 1.00 0.00 H new ATOM 1512 N PRO A 97 2.539 -10.949 -11.555 1.00 0.00 N ATOM 1513 CA PRO A 97 3.756 -10.818 -10.735 1.00 0.00 C ATOM 1514 C PRO A 97 4.836 -10.037 -11.494 1.00 0.00 C ATOM 1515 O PRO A 97 5.370 -9.063 -11.003 1.00 0.00 O ATOM 1516 CB PRO A 97 4.189 -12.268 -10.505 1.00 0.00 C ATOM 1517 CG PRO A 97 3.556 -13.101 -11.646 1.00 0.00 C ATOM 1518 CD PRO A 97 2.382 -12.270 -12.198 1.00 0.00 C ATOM 0 HA PRO A 97 3.590 -10.274 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.275 -12.355 -10.518 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.852 -12.624 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.287 -13.306 -12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.208 -14.065 -11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.426 -12.192 -13.284 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.422 -12.722 -11.949 1.00 0.00 H new ATOM 1526 N HIS A 98 5.163 -10.460 -12.685 1.00 0.00 N ATOM 1527 CA HIS A 98 6.209 -9.745 -13.470 1.00 0.00 C ATOM 1528 C HIS A 98 5.823 -8.269 -13.617 1.00 0.00 C ATOM 1529 O HIS A 98 6.669 -7.402 -13.697 1.00 0.00 O ATOM 1530 CB HIS A 98 6.331 -10.386 -14.857 1.00 0.00 C ATOM 1531 CG HIS A 98 7.118 -9.482 -15.769 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.469 -9.235 -15.578 1.00 0.00 N ATOM 1533 CD2 HIS A 98 6.756 -8.757 -16.876 1.00 0.00 C ATOM 1534 CE1 HIS A 98 8.867 -8.392 -16.549 1.00 0.00 C ATOM 1535 NE2 HIS A 98 7.862 -8.069 -17.367 1.00 0.00 N ATOM 0 H HIS A 98 4.751 -11.270 -13.148 1.00 0.00 H new ATOM 0 HA HIS A 98 7.165 -9.816 -12.951 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.823 -11.355 -14.778 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.340 -10.565 -15.274 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.764 -8.725 -17.302 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.876 -8.022 -16.654 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.897 -7.451 -18.178 1.00 0.00 H new ATOM 1543 N CYS A 99 4.551 -7.980 -13.657 1.00 0.00 N ATOM 1544 CA CYS A 99 4.115 -6.562 -13.805 1.00 0.00 C ATOM 1545 C CYS A 99 4.462 -5.777 -12.537 1.00 0.00 C ATOM 1546 O CYS A 99 4.950 -4.665 -12.600 1.00 0.00 O ATOM 1547 CB CYS A 99 2.602 -6.518 -14.032 1.00 0.00 C ATOM 1548 SG CYS A 99 2.178 -5.032 -14.973 1.00 0.00 S ATOM 0 H CYS A 99 3.796 -8.663 -13.594 1.00 0.00 H new ATOM 0 HA CYS A 99 4.628 -6.114 -14.656 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.278 -7.408 -14.571 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.080 -6.517 -13.075 1.00 0.00 H new ATOM 0 HG CYS A 99 1.013 -5.188 -15.528 1.00 0.00 H new ATOM 1554 N ILE A 100 4.210 -6.340 -11.388 1.00 0.00 N ATOM 1555 CA ILE A 100 4.520 -5.620 -10.120 1.00 0.00 C ATOM 1556 C ILE A 100 6.033 -5.437 -9.982 1.00 0.00 C ATOM 1557 O ILE A 100 6.501 -4.462 -9.428 1.00 0.00 O ATOM 1558 CB ILE A 100 4.000 -6.430 -8.933 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.497 -6.667 -9.096 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.254 -5.657 -7.637 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.032 -7.710 -8.077 1.00 0.00 C ATOM 0 H ILE A 100 3.803 -7.268 -11.272 1.00 0.00 H new ATOM 0 HA ILE A 100 4.038 -4.643 -10.138 1.00 0.00 H new ATOM 0 HB ILE A 100 4.518 -7.388 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.953 -5.734 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.279 -7.009 -10.108 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.883 -6.235 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.324 -5.486 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.736 -4.699 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.961 -7.879 -8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.567 -8.645 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.236 -7.350 -7.069 1.00 0.00 H new ATOM 1573 N ARG A 101 6.804 -6.367 -10.476 1.00 0.00 N ATOM 1574 CA ARG A 101 8.286 -6.241 -10.365 1.00 0.00 C ATOM 1575 C ARG A 101 8.753 -4.991 -11.114 1.00 0.00 C ATOM 1576 O ARG A 101 9.339 -4.095 -10.540 1.00 0.00 O ATOM 1577 CB ARG A 101 8.951 -7.478 -10.972 1.00 0.00 C ATOM 1578 CG ARG A 101 8.905 -8.630 -9.966 1.00 0.00 C ATOM 1579 CD ARG A 101 10.331 -9.037 -9.586 1.00 0.00 C ATOM 1580 NE ARG A 101 10.551 -10.466 -9.947 1.00 0.00 N ATOM 1581 CZ ARG A 101 11.620 -11.087 -9.529 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.772 -10.860 -10.099 1.00 0.00 N ATOM 1583 NH2 ARG A 101 11.537 -11.936 -8.540 1.00 0.00 N ATOM 0 H ARG A 101 6.473 -7.207 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 101 8.564 -6.158 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.440 -7.764 -11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.984 -7.255 -11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.353 -8.327 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.376 -9.480 -10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.052 -8.404 -10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.490 -8.892 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 101 9.866 -10.959 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.837 -10.197 -10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.607 -11.346 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.637 -12.114 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.372 -12.421 -8.213 1.00 0.00 H new ATOM 1597 N ASP A 102 8.503 -4.925 -12.393 1.00 0.00 N ATOM 1598 CA ASP A 102 8.937 -3.733 -13.177 1.00 0.00 C ATOM 1599 C ASP A 102 8.341 -2.466 -12.561 1.00 0.00 C ATOM 1600 O ASP A 102 9.017 -1.472 -12.385 1.00 0.00 O ATOM 1601 CB ASP A 102 8.456 -3.873 -14.623 1.00 0.00 C ATOM 1602 CG ASP A 102 9.605 -3.541 -15.577 1.00 0.00 C ATOM 1603 OD1 ASP A 102 10.590 -4.262 -15.564 1.00 0.00 O ATOM 1604 OD2 ASP A 102 9.481 -2.570 -16.306 1.00 0.00 O ATOM 0 H ASP A 102 8.017 -5.644 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 102 10.025 -3.665 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.101 -4.888 -14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.614 -3.205 -14.804 1.00 0.00 H new ATOM 1609 N ALA A 103 7.077 -2.492 -12.235 1.00 0.00 N ATOM 1610 CA ALA A 103 6.438 -1.287 -11.633 1.00 0.00 C ATOM 1611 C ALA A 103 7.134 -0.940 -10.315 1.00 0.00 C ATOM 1612 O ALA A 103 7.156 0.200 -9.895 1.00 0.00 O ATOM 1613 CB ALA A 103 4.960 -1.577 -11.365 1.00 0.00 C ATOM 0 H ALA A 103 6.460 -3.295 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 103 6.528 -0.447 -12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.491 -0.697 -10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.462 -1.823 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.873 -2.417 -10.676 1.00 0.00 H new ATOM 1619 N LEU A 104 7.702 -1.913 -9.659 1.00 0.00 N ATOM 1620 CA LEU A 104 8.395 -1.636 -8.369 1.00 0.00 C ATOM 1621 C LEU A 104 9.702 -0.894 -8.647 1.00 0.00 C ATOM 1622 O LEU A 104 10.024 0.081 -7.997 1.00 0.00 O ATOM 1623 CB LEU A 104 8.697 -2.957 -7.656 1.00 0.00 C ATOM 1624 CG LEU A 104 8.299 -2.848 -6.183 1.00 0.00 C ATOM 1625 CD1 LEU A 104 6.782 -2.998 -6.050 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.991 -3.956 -5.385 1.00 0.00 C ATOM 0 H LEU A 104 7.717 -2.888 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 104 7.755 -1.022 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.151 -3.772 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.758 -3.193 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 104 8.603 -1.875 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.499 -2.920 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.287 -2.210 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.477 -3.970 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.708 -3.879 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.686 -4.928 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.072 -3.851 -5.478 1.00 0.00 H new ATOM 1638 N GLU A 105 10.458 -1.347 -9.610 1.00 0.00 N ATOM 1639 CA GLU A 105 11.741 -0.664 -9.932 1.00 0.00 C ATOM 1640 C GLU A 105 11.444 0.670 -10.619 1.00 0.00 C ATOM 1641 O GLU A 105 12.285 1.543 -10.691 1.00 0.00 O ATOM 1642 CB GLU A 105 12.570 -1.548 -10.866 1.00 0.00 C ATOM 1643 CG GLU A 105 13.945 -0.911 -11.083 1.00 0.00 C ATOM 1644 CD GLU A 105 15.028 -1.823 -10.504 1.00 0.00 C ATOM 1645 OE1 GLU A 105 14.701 -2.626 -9.646 1.00 0.00 O ATOM 1646 OE2 GLU A 105 16.165 -1.704 -10.929 1.00 0.00 O ATOM 0 H GLU A 105 10.242 -2.160 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 105 12.301 -0.485 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.682 -2.544 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.058 -1.668 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.120 -0.752 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.984 0.067 -10.604 1.00 0.00 H new ATOM 1653 N ASP A 106 10.252 0.833 -11.124 1.00 0.00 N ATOM 1654 CA ASP A 106 9.899 2.109 -11.804 1.00 0.00 C ATOM 1655 C ASP A 106 10.032 3.266 -10.813 1.00 0.00 C ATOM 1656 O ASP A 106 10.447 4.352 -11.166 1.00 0.00 O ATOM 1657 CB ASP A 106 8.457 2.035 -12.313 1.00 0.00 C ATOM 1658 CG ASP A 106 8.082 3.360 -12.977 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.973 4.167 -13.190 1.00 0.00 O ATOM 1660 OD2 ASP A 106 6.910 3.547 -13.261 1.00 0.00 O ATOM 0 H ASP A 106 9.507 0.137 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 106 10.572 2.271 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.353 1.217 -13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.778 1.826 -11.486 1.00 0.00 H new ATOM 1665 N ALA A 107 9.683 3.044 -9.575 1.00 0.00 N ATOM 1666 CA ALA A 107 9.792 4.132 -8.564 1.00 0.00 C ATOM 1667 C ALA A 107 11.257 4.306 -8.164 1.00 0.00 C ATOM 1668 O ALA A 107 11.751 5.409 -8.042 1.00 0.00 O ATOM 1669 CB ALA A 107 8.964 3.768 -7.330 1.00 0.00 C ATOM 0 H ALA A 107 9.327 2.156 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 107 9.417 5.063 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.044 4.565 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.920 3.642 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.337 2.837 -6.903 1.00 0.00 H new ATOM 1675 N LEU A 108 11.958 3.224 -7.959 1.00 0.00 N ATOM 1676 CA LEU A 108 13.393 3.329 -7.571 1.00 0.00 C ATOM 1677 C LEU A 108 14.096 4.316 -8.502 1.00 0.00 C ATOM 1678 O LEU A 108 14.768 5.230 -8.063 1.00 0.00 O ATOM 1679 CB LEU A 108 14.055 1.955 -7.688 1.00 0.00 C ATOM 1680 CG LEU A 108 14.427 1.450 -6.293 1.00 0.00 C ATOM 1681 CD1 LEU A 108 15.443 2.402 -5.660 1.00 0.00 C ATOM 1682 CD2 LEU A 108 13.170 1.396 -5.422 1.00 0.00 C ATOM 0 H LEU A 108 11.599 2.273 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 108 13.469 3.680 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.377 1.252 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.946 2.020 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 108 14.862 0.454 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.708 2.042 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.338 2.445 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.008 3.398 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.432 1.036 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.738 2.394 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.444 0.720 -5.873 1.00 0.00 H new