USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1011 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.688 F(o=-3,f=-0.69) USER MOD Single : A 13 ASN : amide:sc= -3.62! C(o=-3.6!,f=-7.8!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.301 F(o=-1.2,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 28 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.53) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.317) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -3.16! (180deg=-3.95!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.015) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.67 K(o=-3.7,f=-9.1!) USER MOD Single : A 64 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 0.0928 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-3.1!) USER MOD Single : A 81 THR OG1 : rot -158:sc= -1.8! USER MOD Single : A 97 LYS NZ :NH3+ -106:sc= -2.66! (180deg=-5.38!) USER MOD Single : A 100 GLN : amide:sc= -1.89! X(o=-1.9!,f=-1.5) USER MOD Single : A 105 MET CE :methyl -137:sc= -1.4 (180deg=-2.38!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 119 ASN : amide:sc= -5.33! C(o=-5.3!,f=-8.6!) USER MOD Single : A 125 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.286) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.874 11.145 4.277 1.00 0.00 N ATOM 43 CA LYS A 3 13.844 10.697 3.299 1.00 0.00 C ATOM 44 C LYS A 3 13.510 9.227 3.546 1.00 0.00 C ATOM 45 O LYS A 3 14.296 8.485 4.102 1.00 0.00 O ATOM 46 CB LYS A 3 14.384 10.863 1.874 1.00 0.00 C ATOM 47 CG LYS A 3 13.482 10.113 0.888 1.00 0.00 C ATOM 48 CD LYS A 3 13.950 10.387 -0.544 1.00 0.00 C ATOM 49 CE LYS A 3 13.872 9.098 -1.366 1.00 0.00 C ATOM 50 NZ LYS A 3 14.917 9.120 -2.430 1.00 0.00 N ATOM 0 HA LYS A 3 12.944 11.300 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.426 11.920 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.402 10.479 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.512 9.043 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.447 10.432 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.329 11.158 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.973 10.764 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.016 8.233 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.884 9.000 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.863 8.244 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.760 9.938 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.857 9.194 -1.992 1.00 0.00 H new ATOM 64 N LEU A 4 12.356 8.798 3.121 1.00 0.00 N ATOM 65 CA LEU A 4 11.972 7.370 3.310 1.00 0.00 C ATOM 66 C LEU A 4 10.888 7.002 2.301 1.00 0.00 C ATOM 67 O LEU A 4 10.031 7.793 1.967 1.00 0.00 O ATOM 68 CB LEU A 4 11.496 7.120 4.761 1.00 0.00 C ATOM 69 CG LEU A 4 9.979 7.292 4.934 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.480 8.568 4.267 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.250 6.073 4.360 1.00 0.00 C ATOM 0 H LEU A 4 11.659 9.375 2.650 1.00 0.00 H new ATOM 0 HA LEU A 4 12.841 6.735 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.778 6.111 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.013 7.808 5.430 1.00 0.00 H new ATOM 0 HG LEU A 4 9.767 7.373 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.403 8.656 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.977 9.430 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.703 8.532 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.175 6.200 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.483 5.976 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.573 5.175 4.886 1.00 0.00 H new ATOM 83 N GLN A 5 10.920 5.804 1.801 1.00 0.00 N ATOM 84 CA GLN A 5 9.888 5.397 0.819 1.00 0.00 C ATOM 85 C GLN A 5 9.030 4.314 1.447 1.00 0.00 C ATOM 86 O GLN A 5 9.370 3.751 2.467 1.00 0.00 O ATOM 87 CB GLN A 5 10.545 4.864 -0.453 1.00 0.00 C ATOM 88 CG GLN A 5 11.348 5.991 -1.107 1.00 0.00 C ATOM 89 CD GLN A 5 12.842 5.773 -0.857 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.381 6.220 0.245 1.00 0.00 O flip ATOM 91 NE2 GLN A 5 13.528 5.190 -1.673 1.00 0.00 N flip ATOM 0 H GLN A 5 11.614 5.092 2.029 1.00 0.00 H new ATOM 0 HA GLN A 5 9.275 6.258 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.198 4.024 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.786 4.493 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.149 6.018 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.038 6.954 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.109 4.840 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.523 5.051 -1.496 1.00 0.00 H new ATOM 100 N ILE A 6 7.923 4.018 0.852 1.00 0.00 N ATOM 101 CA ILE A 6 7.048 2.971 1.421 1.00 0.00 C ATOM 102 C ILE A 6 6.741 1.952 0.332 1.00 0.00 C ATOM 103 O ILE A 6 6.047 2.236 -0.622 1.00 0.00 O ATOM 104 CB ILE A 6 5.760 3.619 1.950 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.038 4.179 3.359 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.633 2.580 1.993 1.00 0.00 C ATOM 107 CD1 ILE A 6 4.894 3.840 4.332 1.00 0.00 C ATOM 0 H ILE A 6 7.583 4.455 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 6 7.541 2.465 2.251 1.00 0.00 H new ATOM 0 HB ILE A 6 5.447 4.430 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.974 3.768 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.163 5.260 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.722 3.046 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.455 2.194 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.919 1.760 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.121 4.249 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.964 4.273 3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.787 2.758 4.405 1.00 0.00 H new ATOM 119 N ALA A 7 7.266 0.766 0.469 1.00 0.00 N ATOM 120 CA ALA A 7 7.017 -0.286 -0.548 1.00 0.00 C ATOM 121 C ALA A 7 5.664 -0.927 -0.262 1.00 0.00 C ATOM 122 O ALA A 7 5.580 -2.072 0.137 1.00 0.00 O ATOM 123 CB ALA A 7 8.112 -1.346 -0.454 1.00 0.00 C ATOM 0 H ALA A 7 7.860 0.482 1.248 1.00 0.00 H new ATOM 0 HA ALA A 7 7.020 0.148 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.933 -2.121 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.082 -0.884 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.103 -1.791 0.541 1.00 0.00 H new ATOM 129 N VAL A 8 4.603 -0.198 -0.451 1.00 0.00 N ATOM 130 CA VAL A 8 3.264 -0.776 -0.173 1.00 0.00 C ATOM 131 C VAL A 8 2.839 -1.662 -1.343 1.00 0.00 C ATOM 132 O VAL A 8 2.981 -2.866 -1.302 1.00 0.00 O ATOM 133 CB VAL A 8 2.224 0.343 0.053 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.529 1.547 -0.842 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.814 -0.184 -0.259 1.00 0.00 C ATOM 0 H VAL A 8 4.605 0.766 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 8 3.320 -1.377 0.735 1.00 0.00 H new ATOM 0 HB VAL A 8 2.274 0.657 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.786 2.326 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.521 1.933 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.497 1.240 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.085 0.610 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.770 -0.512 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.586 -1.024 0.397 1.00 0.00 H new ATOM 145 N GLY A 9 2.295 -1.088 -2.374 1.00 0.00 N ATOM 146 CA GLY A 9 1.842 -1.922 -3.508 1.00 0.00 C ATOM 147 C GLY A 9 0.553 -2.599 -3.090 1.00 0.00 C ATOM 148 O GLY A 9 0.537 -3.734 -2.656 1.00 0.00 O ATOM 0 H GLY A 9 2.146 -0.084 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.683 -1.309 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.599 -2.663 -3.765 1.00 0.00 H new ATOM 152 N ILE A 10 -0.530 -1.895 -3.207 1.00 0.00 N ATOM 153 CA ILE A 10 -1.834 -2.482 -2.802 1.00 0.00 C ATOM 154 C ILE A 10 -1.937 -3.850 -3.447 1.00 0.00 C ATOM 155 O ILE A 10 -1.275 -4.134 -4.423 1.00 0.00 O ATOM 156 CB ILE A 10 -3.023 -1.607 -3.235 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.544 -0.219 -3.683 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.981 -1.445 -2.047 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.747 0.623 -4.109 1.00 0.00 C ATOM 0 H ILE A 10 -0.572 -0.941 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.875 -2.550 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.528 -2.090 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.012 0.274 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.842 -0.315 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.828 -0.826 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.340 -2.425 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.456 -0.969 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.407 1.609 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.260 0.132 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.433 0.730 -3.268 1.00 0.00 H new ATOM 171 N ILE A 11 -2.733 -4.714 -2.906 1.00 0.00 N ATOM 172 CA ILE A 11 -2.831 -6.066 -3.496 1.00 0.00 C ATOM 173 C ILE A 11 -4.291 -6.381 -3.836 1.00 0.00 C ATOM 174 O ILE A 11 -4.992 -7.009 -3.073 1.00 0.00 O ATOM 175 CB ILE A 11 -2.272 -7.071 -2.486 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.691 -6.652 -1.074 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.743 -7.063 -2.570 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.016 -7.561 -0.044 1.00 0.00 C ATOM 0 H ILE A 11 -3.317 -4.546 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.255 -6.124 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.655 -8.067 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.412 -5.614 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.775 -6.713 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.336 -7.776 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.432 -7.342 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.371 -6.065 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.317 -7.260 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.317 -8.594 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.933 -7.477 -0.139 1.00 0.00 H new ATOM 190 N ARG A 12 -4.736 -5.964 -4.998 1.00 0.00 N ATOM 191 CA ARG A 12 -6.150 -6.248 -5.414 1.00 0.00 C ATOM 192 C ARG A 12 -6.197 -7.699 -5.863 1.00 0.00 C ATOM 193 O ARG A 12 -5.165 -8.322 -6.005 1.00 0.00 O ATOM 194 CB ARG A 12 -6.588 -5.340 -6.576 1.00 0.00 C ATOM 195 CG ARG A 12 -5.532 -4.267 -6.834 1.00 0.00 C ATOM 196 CD ARG A 12 -6.085 -3.174 -7.761 1.00 0.00 C ATOM 197 NE ARG A 12 -5.908 -3.626 -9.173 1.00 0.00 N ATOM 198 CZ ARG A 12 -6.491 -2.991 -10.151 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.719 -3.283 -10.480 1.00 0.00 N ATOM 200 NH2 ARG A 12 -5.840 -2.068 -10.806 1.00 0.00 N ATOM 0 H ARG A 12 -4.183 -5.440 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.825 -6.059 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.739 -5.936 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.543 -4.871 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.217 -3.824 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.648 -4.720 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.139 -2.993 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.560 -2.233 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.326 -4.439 -9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.224 -4.009 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.174 -2.785 -11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.878 -1.845 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.294 -1.570 -11.572 1.00 0.00 H new ATOM 214 N ASN A 13 -7.347 -8.289 -6.053 1.00 0.00 N ATOM 215 CA ASN A 13 -7.287 -9.717 -6.438 1.00 0.00 C ATOM 216 C ASN A 13 -8.578 -10.273 -7.072 1.00 0.00 C ATOM 217 O ASN A 13 -8.516 -11.199 -7.809 1.00 0.00 O ATOM 218 CB ASN A 13 -6.919 -10.497 -5.178 1.00 0.00 C ATOM 219 CG ASN A 13 -8.179 -10.893 -4.402 1.00 0.00 C ATOM 220 OD1 ASN A 13 -9.103 -10.115 -4.283 1.00 0.00 O ATOM 221 ND2 ASN A 13 -8.253 -12.082 -3.869 1.00 0.00 N ATOM 0 H ASN A 13 -8.273 -7.870 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.542 -9.826 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.356 -11.390 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.271 -9.891 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.088 -12.358 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.476 -12.735 -3.969 1.00 0.00 H new ATOM 228 N GLU A 14 -9.738 -9.764 -6.823 1.00 0.00 N ATOM 229 CA GLU A 14 -10.937 -10.404 -7.472 1.00 0.00 C ATOM 230 C GLU A 14 -11.267 -9.657 -8.757 1.00 0.00 C ATOM 231 O GLU A 14 -11.683 -10.214 -9.754 1.00 0.00 O ATOM 232 CB GLU A 14 -12.127 -10.327 -6.512 1.00 0.00 C ATOM 233 CG GLU A 14 -13.386 -10.850 -7.206 1.00 0.00 C ATOM 234 CD GLU A 14 -14.609 -10.101 -6.676 1.00 0.00 C ATOM 235 OE1 GLU A 14 -15.184 -10.559 -5.701 1.00 0.00 O ATOM 236 OE2 GLU A 14 -14.950 -9.082 -7.253 1.00 0.00 O ATOM 0 H GLU A 14 -9.924 -8.961 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.723 -11.447 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.923 -10.915 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.280 -9.297 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.303 -10.715 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.495 -11.920 -7.027 1.00 0.00 H new ATOM 243 N ASN A 15 -11.039 -8.402 -8.714 1.00 0.00 N ATOM 244 CA ASN A 15 -11.259 -7.500 -9.872 1.00 0.00 C ATOM 245 C ASN A 15 -10.458 -6.272 -9.510 1.00 0.00 C ATOM 246 O ASN A 15 -9.666 -5.742 -10.264 1.00 0.00 O ATOM 247 CB ASN A 15 -12.746 -7.156 -9.996 1.00 0.00 C ATOM 248 CG ASN A 15 -12.971 -6.298 -11.244 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.114 -5.005 -11.120 1.00 0.00 O flip ATOM 250 ND2 ASN A 15 -13.020 -6.810 -12.344 1.00 0.00 N flip ATOM 0 H ASN A 15 -10.689 -7.926 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.962 -7.937 -10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.337 -8.070 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.081 -6.620 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.909 -7.819 -12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.173 -6.231 -13.170 1.00 0.00 H new ATOM 257 N ASN A 16 -10.648 -5.889 -8.289 1.00 0.00 N ATOM 258 CA ASN A 16 -9.930 -4.771 -7.683 1.00 0.00 C ATOM 259 C ASN A 16 -10.076 -4.991 -6.182 1.00 0.00 C ATOM 260 O ASN A 16 -10.235 -4.056 -5.422 1.00 0.00 O ATOM 261 CB ASN A 16 -10.569 -3.441 -8.096 1.00 0.00 C ATOM 262 CG ASN A 16 -9.504 -2.341 -8.109 1.00 0.00 C ATOM 263 OD1 ASN A 16 -9.154 -1.831 -9.155 1.00 0.00 O ATOM 264 ND2 ASN A 16 -8.969 -1.953 -6.984 1.00 0.00 N ATOM 0 H ASN A 16 -11.313 -6.339 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.887 -4.727 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.022 -3.535 -9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.368 -3.179 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.258 -1.222 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.262 -2.381 -6.106 1.00 0.00 H new ATOM 271 N GLU A 17 -10.057 -6.241 -5.735 1.00 0.00 N ATOM 272 CA GLU A 17 -10.234 -6.466 -4.272 1.00 0.00 C ATOM 273 C GLU A 17 -8.880 -6.408 -3.590 1.00 0.00 C ATOM 274 O GLU A 17 -8.115 -7.353 -3.606 1.00 0.00 O ATOM 275 CB GLU A 17 -10.916 -7.810 -4.012 1.00 0.00 C ATOM 276 CG GLU A 17 -12.419 -7.701 -4.319 1.00 0.00 C ATOM 277 CD GLU A 17 -12.652 -6.824 -5.553 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.455 -5.624 -5.449 1.00 0.00 O ATOM 279 OE2 GLU A 17 -13.022 -7.367 -6.580 1.00 0.00 O ATOM 0 H GLU A 17 -9.931 -7.077 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.874 -5.685 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.464 -8.583 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.768 -8.108 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.835 -8.694 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.942 -7.278 -3.461 1.00 0.00 H new ATOM 286 N ILE A 18 -8.574 -5.283 -3.012 1.00 0.00 N ATOM 287 CA ILE A 18 -7.261 -5.116 -2.350 1.00 0.00 C ATOM 288 C ILE A 18 -7.338 -5.473 -0.876 1.00 0.00 C ATOM 289 O ILE A 18 -8.347 -5.293 -0.223 1.00 0.00 O ATOM 290 CB ILE A 18 -6.803 -3.662 -2.476 1.00 0.00 C ATOM 291 CG1 ILE A 18 -7.965 -2.720 -2.102 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.326 -3.397 -3.904 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.757 -2.299 -3.347 1.00 0.00 C ATOM 0 H ILE A 18 -9.185 -4.467 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.553 -5.785 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.973 -3.476 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.629 -3.219 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.573 -1.835 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.000 -2.361 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.494 -4.060 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.144 -3.581 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.570 -1.635 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.096 -1.779 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.168 -3.184 -3.833 1.00 0.00 H new ATOM 305 N PHE A 19 -6.246 -5.944 -0.350 1.00 0.00 N ATOM 306 CA PHE A 19 -6.173 -6.283 1.103 1.00 0.00 C ATOM 307 C PHE A 19 -5.898 -4.985 1.877 1.00 0.00 C ATOM 308 O PHE A 19 -5.058 -4.936 2.754 1.00 0.00 O ATOM 309 CB PHE A 19 -5.021 -7.269 1.318 1.00 0.00 C ATOM 310 CG PHE A 19 -5.103 -7.883 2.697 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.293 -8.472 3.139 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.978 -7.871 3.531 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.357 -9.046 4.416 1.00 0.00 C ATOM 314 CE2 PHE A 19 -4.045 -8.447 4.806 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.233 -9.033 5.247 1.00 0.00 C ATOM 0 H PHE A 19 -5.385 -6.113 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.103 -6.734 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.059 -8.053 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.067 -6.755 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.161 -8.484 2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.059 -7.418 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.276 -9.499 4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.177 -8.438 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.284 -9.476 6.230 1.00 0.00 H new ATOM 325 N ILE A 20 -6.577 -3.924 1.524 1.00 0.00 N ATOM 326 CA ILE A 20 -6.350 -2.611 2.184 1.00 0.00 C ATOM 327 C ILE A 20 -7.089 -2.525 3.509 1.00 0.00 C ATOM 328 O ILE A 20 -8.106 -3.152 3.721 1.00 0.00 O ATOM 329 CB ILE A 20 -6.871 -1.494 1.282 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.752 -0.153 2.010 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.343 -1.754 0.962 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.283 0.137 2.315 1.00 0.00 C ATOM 0 H ILE A 20 -7.290 -3.916 0.794 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.280 -2.507 2.361 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.287 -1.467 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.170 0.644 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.328 -0.178 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.721 -0.960 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.441 -2.712 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.918 -1.776 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.201 1.092 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.879 -0.654 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.720 0.180 1.383 1.00 0.00 H new ATOM 344 N THR A 21 -6.598 -1.701 4.379 1.00 0.00 N ATOM 345 CA THR A 21 -7.270 -1.508 5.689 1.00 0.00 C ATOM 346 C THR A 21 -8.624 -0.853 5.425 1.00 0.00 C ATOM 347 O THR A 21 -8.736 0.351 5.309 1.00 0.00 O ATOM 348 CB THR A 21 -6.409 -0.605 6.567 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.161 -0.166 7.689 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.945 0.600 5.754 1.00 0.00 C ATOM 0 H THR A 21 -5.753 -1.147 4.241 1.00 0.00 H new ATOM 0 HA THR A 21 -7.409 -2.460 6.201 1.00 0.00 H new ATOM 0 HB THR A 21 -5.540 -1.163 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.604 0.412 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.330 1.246 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.360 0.259 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.813 1.157 5.401 1.00 0.00 H new ATOM 358 N ARG A 22 -9.643 -1.647 5.302 1.00 0.00 N ATOM 359 CA ARG A 22 -10.994 -1.109 5.012 1.00 0.00 C ATOM 360 C ARG A 22 -11.823 -1.092 6.291 1.00 0.00 C ATOM 361 O ARG A 22 -11.642 -1.922 7.155 1.00 0.00 O ATOM 362 CB ARG A 22 -11.664 -2.025 3.984 1.00 0.00 C ATOM 363 CG ARG A 22 -13.129 -1.624 3.806 1.00 0.00 C ATOM 364 CD ARG A 22 -13.202 -0.405 2.894 1.00 0.00 C ATOM 365 NE ARG A 22 -14.626 -0.044 2.653 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.927 1.114 2.134 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.975 1.923 1.751 1.00 0.00 N ATOM 368 NH2 ARG A 22 -16.176 1.462 1.992 1.00 0.00 N ATOM 0 H ARG A 22 -9.597 -2.662 5.391 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.919 -0.093 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.141 -1.959 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.599 -3.063 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.696 -2.450 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.578 -1.398 4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.676 0.434 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.705 -0.617 1.947 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.367 -0.703 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.999 1.648 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.208 2.829 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.919 0.828 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.410 2.368 1.586 1.00 0.00 H new ATOM 382 N ARG A 23 -12.728 -0.147 6.406 1.00 0.00 N ATOM 383 CA ARG A 23 -13.597 -0.061 7.634 1.00 0.00 C ATOM 384 C ARG A 23 -13.890 -1.477 8.143 1.00 0.00 C ATOM 385 O ARG A 23 -14.818 -2.129 7.706 1.00 0.00 O ATOM 386 CB ARG A 23 -14.931 0.649 7.321 1.00 0.00 C ATOM 387 CG ARG A 23 -15.042 0.966 5.824 1.00 0.00 C ATOM 388 CD ARG A 23 -16.445 1.492 5.503 1.00 0.00 C ATOM 389 NE ARG A 23 -17.209 0.448 4.764 1.00 0.00 N ATOM 390 CZ ARG A 23 -18.504 0.550 4.642 1.00 0.00 C ATOM 391 NH1 ARG A 23 -19.059 1.723 4.506 1.00 0.00 N ATOM 392 NH2 ARG A 23 -19.246 -0.524 4.659 1.00 0.00 N ATOM 0 H ARG A 23 -12.905 0.571 5.704 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.067 0.515 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.765 0.017 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.002 1.571 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.294 1.708 5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.837 0.070 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.966 1.756 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.376 2.400 4.904 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.719 -0.347 4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.480 2.563 4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.072 1.800 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.813 -1.441 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.259 -0.446 4.564 1.00 0.00 H new ATOM 406 N ALA A 24 -13.081 -1.965 9.043 1.00 0.00 N ATOM 407 CA ALA A 24 -13.274 -3.347 9.564 1.00 0.00 C ATOM 408 C ALA A 24 -14.744 -3.583 9.918 1.00 0.00 C ATOM 409 O ALA A 24 -15.358 -4.525 9.457 1.00 0.00 O ATOM 410 CB ALA A 24 -12.412 -3.544 10.814 1.00 0.00 C ATOM 0 H ALA A 24 -12.289 -1.461 9.442 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.978 -4.059 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.552 -4.555 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.363 -3.394 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.707 -2.823 11.577 1.00 0.00 H new ATOM 416 N ALA A 25 -15.316 -2.744 10.737 1.00 0.00 N ATOM 417 CA ALA A 25 -16.742 -2.936 11.117 1.00 0.00 C ATOM 418 C ALA A 25 -17.635 -2.461 9.973 1.00 0.00 C ATOM 419 O ALA A 25 -17.255 -2.501 8.821 1.00 0.00 O ATOM 420 CB ALA A 25 -17.050 -2.121 12.376 1.00 0.00 C ATOM 0 H ALA A 25 -14.858 -1.936 11.158 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.929 -3.991 11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.094 -2.262 12.654 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.409 -2.455 13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -16.866 -1.065 12.180 1.00 0.00 H new ATOM 426 N ASP A 26 -18.817 -2.009 10.280 1.00 0.00 N ATOM 427 CA ASP A 26 -19.724 -1.530 9.203 1.00 0.00 C ATOM 428 C ASP A 26 -19.277 -0.138 8.756 1.00 0.00 C ATOM 429 O ASP A 26 -19.083 0.118 7.584 1.00 0.00 O ATOM 430 CB ASP A 26 -21.158 -1.465 9.732 1.00 0.00 C ATOM 431 CG ASP A 26 -22.055 -2.378 8.893 1.00 0.00 C ATOM 432 OD1 ASP A 26 -21.522 -3.259 8.239 1.00 0.00 O ATOM 433 OD2 ASP A 26 -23.259 -2.181 8.919 1.00 0.00 O ATOM 0 H ASP A 26 -19.193 -1.951 11.226 1.00 0.00 H new ATOM 0 HA ASP A 26 -19.686 -2.216 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -21.185 -1.772 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -21.526 -0.440 9.691 1.00 0.00 H new ATOM 438 N ALA A 27 -19.104 0.761 9.684 1.00 0.00 N ATOM 439 CA ALA A 27 -18.663 2.136 9.319 1.00 0.00 C ATOM 440 C ALA A 27 -19.659 2.751 8.336 1.00 0.00 C ATOM 441 O ALA A 27 -20.736 2.236 8.114 1.00 0.00 O ATOM 442 CB ALA A 27 -17.281 2.076 8.661 1.00 0.00 C ATOM 0 H ALA A 27 -19.249 0.603 10.681 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.613 2.746 10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.961 3.083 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.565 1.640 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.333 1.462 7.762 1.00 0.00 H new ATOM 448 N HIS A 28 -19.294 3.853 7.747 1.00 0.00 N ATOM 449 CA HIS A 28 -20.195 4.526 6.771 1.00 0.00 C ATOM 450 C HIS A 28 -19.370 5.504 5.931 1.00 0.00 C ATOM 451 O HIS A 28 -19.618 5.697 4.758 1.00 0.00 O ATOM 452 CB HIS A 28 -21.285 5.292 7.521 1.00 0.00 C ATOM 453 CG HIS A 28 -22.592 4.557 7.402 1.00 0.00 C ATOM 454 ND1 HIS A 28 -23.093 4.131 6.182 1.00 0.00 N ATOM 455 CD2 HIS A 28 -23.513 4.166 8.342 1.00 0.00 C ATOM 456 CE1 HIS A 28 -24.266 3.516 6.418 1.00 0.00 C ATOM 457 NE2 HIS A 28 -24.569 3.509 7.718 1.00 0.00 N ATOM 0 H HIS A 28 -18.401 4.322 7.901 1.00 0.00 H new ATOM 0 HA HIS A 28 -20.661 3.782 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.011 5.400 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.383 6.298 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.430 4.342 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -24.887 3.081 5.649 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.397 3.108 8.159 1.00 0.00 H new ATOM 465 N MET A 29 -18.386 6.122 6.528 1.00 0.00 N ATOM 466 CA MET A 29 -17.539 7.085 5.777 1.00 0.00 C ATOM 467 C MET A 29 -17.073 6.441 4.473 1.00 0.00 C ATOM 468 O MET A 29 -17.136 7.041 3.418 1.00 0.00 O ATOM 469 CB MET A 29 -16.321 7.460 6.627 1.00 0.00 C ATOM 470 CG MET A 29 -16.705 8.564 7.615 1.00 0.00 C ATOM 471 SD MET A 29 -17.643 7.848 8.990 1.00 0.00 S ATOM 472 CE MET A 29 -17.449 9.224 10.149 1.00 0.00 C ATOM 0 H MET A 29 -18.134 5.998 7.509 1.00 0.00 H new ATOM 0 HA MET A 29 -18.116 7.982 5.553 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.958 6.585 7.167 1.00 0.00 H new ATOM 0 HB3 MET A 29 -15.508 7.799 5.985 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.809 9.058 7.991 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.301 9.325 7.112 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.961 8.989 11.082 1.00 0.00 H new ATOM 0 HE2 MET A 29 -16.390 9.386 10.347 1.00 0.00 H new ATOM 0 HE3 MET A 29 -17.880 10.127 9.717 1.00 0.00 H new ATOM 482 N ALA A 30 -16.604 5.226 4.534 1.00 0.00 N ATOM 483 CA ALA A 30 -16.135 4.549 3.294 1.00 0.00 C ATOM 484 C ALA A 30 -14.814 5.171 2.843 1.00 0.00 C ATOM 485 O ALA A 30 -14.285 4.843 1.800 1.00 0.00 O ATOM 486 CB ALA A 30 -17.187 4.717 2.199 1.00 0.00 C ATOM 0 H ALA A 30 -16.525 4.674 5.388 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.983 3.487 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.847 4.222 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.126 4.271 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.339 5.778 2.000 1.00 0.00 H new ATOM 492 N ASN A 31 -14.271 6.061 3.626 1.00 0.00 N ATOM 493 CA ASN A 31 -12.978 6.691 3.250 1.00 0.00 C ATOM 494 C ASN A 31 -11.847 5.982 3.997 1.00 0.00 C ATOM 495 O ASN A 31 -10.726 6.447 4.035 1.00 0.00 O ATOM 496 CB ASN A 31 -13.001 8.171 3.637 1.00 0.00 C ATOM 497 CG ASN A 31 -13.352 9.017 2.413 1.00 0.00 C ATOM 498 OD1 ASN A 31 -12.606 9.057 1.453 1.00 0.00 O ATOM 499 ND2 ASN A 31 -14.463 9.700 2.407 1.00 0.00 N ATOM 0 H ASN A 31 -14.668 6.379 4.510 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.821 6.604 2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.731 8.339 4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.029 8.469 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.708 10.269 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.087 9.665 3.213 1.00 0.00 H new ATOM 506 N LYS A 32 -12.146 4.862 4.605 1.00 0.00 N ATOM 507 CA LYS A 32 -11.107 4.110 5.363 1.00 0.00 C ATOM 508 C LYS A 32 -10.263 3.255 4.409 1.00 0.00 C ATOM 509 O LYS A 32 -10.145 2.061 4.591 1.00 0.00 O ATOM 510 CB LYS A 32 -11.799 3.189 6.366 1.00 0.00 C ATOM 511 CG LYS A 32 -11.189 3.382 7.753 1.00 0.00 C ATOM 512 CD LYS A 32 -10.512 2.084 8.202 1.00 0.00 C ATOM 513 CE LYS A 32 -9.570 2.381 9.369 1.00 0.00 C ATOM 514 NZ LYS A 32 -10.330 3.045 10.465 1.00 0.00 N ATOM 0 H LYS A 32 -13.073 4.435 4.607 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.457 4.819 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.867 3.405 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.692 2.150 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.463 4.194 7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.964 3.665 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.263 1.354 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.956 1.645 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.121 1.457 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.754 3.023 9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.777 3.004 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.506 4.039 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.238 2.557 10.603 1.00 0.00 H new ATOM 528 N LEU A 33 -9.678 3.834 3.398 1.00 0.00 N ATOM 529 CA LEU A 33 -8.856 3.010 2.465 1.00 0.00 C ATOM 530 C LEU A 33 -7.426 3.563 2.411 1.00 0.00 C ATOM 531 O LEU A 33 -7.088 4.334 1.539 1.00 0.00 O ATOM 532 CB LEU A 33 -9.467 3.066 1.064 1.00 0.00 C ATOM 533 CG LEU A 33 -10.754 2.240 1.016 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.165 2.027 -0.441 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.517 0.881 1.677 1.00 0.00 C ATOM 0 H LEU A 33 -9.731 4.829 3.178 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.836 1.979 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.680 4.100 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.754 2.685 0.333 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.544 2.770 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.082 1.439 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.334 2.993 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.372 1.497 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.435 0.294 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.727 0.351 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.220 1.028 2.715 1.00 0.00 H new ATOM 547 N GLU A 34 -6.583 3.176 3.330 1.00 0.00 N ATOM 548 CA GLU A 34 -5.181 3.693 3.329 1.00 0.00 C ATOM 549 C GLU A 34 -4.323 2.879 2.353 1.00 0.00 C ATOM 550 O GLU A 34 -4.747 2.572 1.258 1.00 0.00 O ATOM 551 CB GLU A 34 -4.612 3.577 4.746 1.00 0.00 C ATOM 552 CG GLU A 34 -3.491 4.600 4.938 1.00 0.00 C ATOM 553 CD GLU A 34 -2.333 3.950 5.697 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.570 3.455 6.788 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.231 3.957 5.176 1.00 0.00 O ATOM 0 H GLU A 34 -6.803 2.524 4.083 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.173 4.736 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.400 3.745 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.231 2.570 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.147 4.964 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.863 5.463 5.490 1.00 0.00 H new ATOM 562 N PHE A 35 -3.123 2.524 2.738 1.00 0.00 N ATOM 563 CA PHE A 35 -2.251 1.726 1.830 1.00 0.00 C ATOM 564 C PHE A 35 -1.292 0.881 2.664 1.00 0.00 C ATOM 565 O PHE A 35 -0.561 1.404 3.480 1.00 0.00 O ATOM 566 CB PHE A 35 -1.422 2.657 0.942 1.00 0.00 C ATOM 567 CG PHE A 35 -2.310 3.320 -0.077 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.689 2.627 -1.231 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.745 4.633 0.128 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.507 3.247 -2.180 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.561 5.252 -0.820 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.943 4.559 -1.974 1.00 0.00 C ATOM 0 H PHE A 35 -2.711 2.753 3.643 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.882 1.090 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.929 3.413 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.637 2.091 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.350 1.614 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.450 5.167 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.802 2.713 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.898 6.266 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.576 5.038 -2.706 1.00 0.00 H new ATOM 582 N PRO A 36 -1.301 -0.404 2.419 1.00 0.00 N ATOM 583 CA PRO A 36 -0.408 -1.329 3.128 1.00 0.00 C ATOM 584 C PRO A 36 1.044 -0.900 2.898 1.00 0.00 C ATOM 585 O PRO A 36 1.668 -1.296 1.939 1.00 0.00 O ATOM 586 CB PRO A 36 -0.689 -2.697 2.492 1.00 0.00 C ATOM 587 CG PRO A 36 -1.702 -2.484 1.340 1.00 0.00 C ATOM 588 CD PRO A 36 -2.188 -1.036 1.423 1.00 0.00 C ATOM 0 HA PRO A 36 -0.569 -1.348 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.233 -3.139 2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.093 -3.387 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.233 -2.677 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.539 -3.176 1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.117 -0.538 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.232 -0.985 1.732 1.00 0.00 H new ATOM 596 N GLY A 37 1.571 -0.071 3.763 1.00 0.00 N ATOM 597 CA GLY A 37 2.974 0.418 3.597 1.00 0.00 C ATOM 598 C GLY A 37 3.959 -0.753 3.513 1.00 0.00 C ATOM 599 O GLY A 37 3.681 -1.782 2.931 1.00 0.00 O ATOM 0 H GLY A 37 1.086 0.291 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.047 1.024 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.240 1.062 4.435 1.00 0.00 H new ATOM 603 N GLY A 38 5.115 -0.593 4.095 1.00 0.00 N ATOM 604 CA GLY A 38 6.136 -1.673 4.063 1.00 0.00 C ATOM 605 C GLY A 38 7.519 -1.052 4.220 1.00 0.00 C ATOM 606 O GLY A 38 8.408 -1.645 4.796 1.00 0.00 O ATOM 0 H GLY A 38 5.397 0.249 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.952 -2.389 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.074 -2.222 3.123 1.00 0.00 H new ATOM 610 N LYS A 39 7.696 0.137 3.701 1.00 0.00 N ATOM 611 CA LYS A 39 9.014 0.828 3.790 1.00 0.00 C ATOM 612 C LYS A 39 10.020 0.113 2.902 1.00 0.00 C ATOM 613 O LYS A 39 10.622 -0.862 3.295 1.00 0.00 O ATOM 614 CB LYS A 39 9.535 0.831 5.226 1.00 0.00 C ATOM 615 CG LYS A 39 10.921 1.486 5.244 1.00 0.00 C ATOM 616 CD LYS A 39 10.763 3.009 5.241 1.00 0.00 C ATOM 617 CE LYS A 39 11.990 3.696 4.612 1.00 0.00 C ATOM 618 NZ LYS A 39 13.020 2.691 4.221 1.00 0.00 N ATOM 0 H LYS A 39 6.971 0.664 3.213 1.00 0.00 H new ATOM 0 HA LYS A 39 8.883 1.859 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.851 1.377 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.593 -0.188 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.474 1.168 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.497 1.167 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.866 3.283 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.627 3.365 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.683 4.267 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.418 4.405 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.905 3.179 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.191 2.042 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.683 2.150 3.399 1.00 0.00 H new ATOM 632 N ILE A 40 10.222 0.597 1.714 1.00 0.00 N ATOM 633 CA ILE A 40 11.211 -0.066 0.818 1.00 0.00 C ATOM 634 C ILE A 40 12.613 0.387 1.213 1.00 0.00 C ATOM 635 O ILE A 40 12.875 1.558 1.399 1.00 0.00 O ATOM 636 CB ILE A 40 10.926 0.261 -0.660 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.242 0.307 -1.465 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.195 1.603 -0.781 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.887 1.691 -1.341 1.00 0.00 C ATOM 0 H ILE A 40 9.753 1.414 1.324 1.00 0.00 H new ATOM 0 HA ILE A 40 11.131 -1.147 0.931 1.00 0.00 H new ATOM 0 HB ILE A 40 10.290 -0.525 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.928 -0.457 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.044 0.082 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.002 1.818 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.250 1.552 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.813 2.394 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.815 1.713 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.204 2.447 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.102 1.900 -0.293 1.00 0.00 H new ATOM 651 N GLU A 41 13.510 -0.543 1.342 1.00 0.00 N ATOM 652 CA GLU A 41 14.900 -0.189 1.726 1.00 0.00 C ATOM 653 C GLU A 41 15.799 -1.421 1.582 1.00 0.00 C ATOM 654 O GLU A 41 16.958 -1.320 1.235 1.00 0.00 O ATOM 655 CB GLU A 41 14.908 0.312 3.177 1.00 0.00 C ATOM 656 CG GLU A 41 14.925 -0.874 4.149 1.00 0.00 C ATOM 657 CD GLU A 41 14.538 -0.393 5.549 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.361 -0.155 5.769 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.423 -0.271 6.378 1.00 0.00 O ATOM 0 H GLU A 41 13.340 -1.538 1.197 1.00 0.00 H new ATOM 0 HA GLU A 41 15.278 0.599 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.781 0.942 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.029 0.929 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.230 -1.643 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.916 -1.327 4.170 1.00 0.00 H new ATOM 666 N MET A 42 15.268 -2.585 1.847 1.00 0.00 N ATOM 667 CA MET A 42 16.085 -3.824 1.728 1.00 0.00 C ATOM 668 C MET A 42 16.831 -3.818 0.395 1.00 0.00 C ATOM 669 O MET A 42 16.350 -3.303 -0.595 1.00 0.00 O ATOM 670 CB MET A 42 15.165 -5.044 1.793 1.00 0.00 C ATOM 671 CG MET A 42 15.540 -5.905 2.999 1.00 0.00 C ATOM 672 SD MET A 42 14.032 -6.491 3.809 1.00 0.00 S ATOM 673 CE MET A 42 14.730 -6.708 5.463 1.00 0.00 C ATOM 0 H MET A 42 14.302 -2.730 2.141 1.00 0.00 H new ATOM 0 HA MET A 42 16.806 -3.866 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.126 -4.725 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.252 -5.627 0.876 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.148 -6.752 2.681 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.142 -5.327 3.700 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.956 -7.071 6.140 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.545 -7.431 5.422 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.110 -5.753 5.826 1.00 0.00 H new ATOM 683 N GLY A 43 18.006 -4.382 0.359 1.00 0.00 N ATOM 684 CA GLY A 43 18.779 -4.403 -0.912 1.00 0.00 C ATOM 685 C GLY A 43 18.886 -2.980 -1.454 1.00 0.00 C ATOM 686 O GLY A 43 19.396 -2.089 -0.806 1.00 0.00 O ATOM 0 H GLY A 43 18.463 -4.828 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.773 -4.816 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.287 -5.047 -1.641 1.00 0.00 H new ATOM 690 N GLU A 44 18.396 -2.767 -2.639 1.00 0.00 N ATOM 691 CA GLU A 44 18.449 -1.406 -3.239 1.00 0.00 C ATOM 692 C GLU A 44 17.555 -1.370 -4.479 1.00 0.00 C ATOM 693 O GLU A 44 17.731 -0.553 -5.360 1.00 0.00 O ATOM 694 CB GLU A 44 19.890 -1.077 -3.636 1.00 0.00 C ATOM 695 CG GLU A 44 20.362 0.155 -2.862 1.00 0.00 C ATOM 696 CD GLU A 44 20.590 1.313 -3.837 1.00 0.00 C ATOM 697 OE1 GLU A 44 19.833 1.420 -4.787 1.00 0.00 O ATOM 698 OE2 GLU A 44 21.518 2.073 -3.615 1.00 0.00 O ATOM 0 H GLU A 44 17.958 -3.480 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 44 18.100 -0.671 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.540 -1.925 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.950 -0.891 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.619 0.435 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.284 -0.070 -2.326 1.00 0.00 H new ATOM 705 N THR A 45 16.596 -2.252 -4.553 1.00 0.00 N ATOM 706 CA THR A 45 15.695 -2.272 -5.730 1.00 0.00 C ATOM 707 C THR A 45 14.273 -2.513 -5.233 1.00 0.00 C ATOM 708 O THR A 45 14.075 -3.310 -4.352 1.00 0.00 O ATOM 709 CB THR A 45 16.132 -3.407 -6.661 1.00 0.00 C ATOM 710 OG1 THR A 45 17.503 -3.236 -6.995 1.00 0.00 O ATOM 711 CG2 THR A 45 15.293 -3.390 -7.940 1.00 0.00 C ATOM 0 H THR A 45 16.401 -2.960 -3.845 1.00 0.00 H new ATOM 0 HA THR A 45 15.737 -1.329 -6.275 1.00 0.00 H new ATOM 0 HB THR A 45 15.989 -4.361 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.788 -3.961 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.612 -4.201 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.241 -3.520 -7.687 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.428 -2.437 -8.451 1.00 0.00 H new ATOM 719 N PRO A 46 13.321 -1.821 -5.803 1.00 0.00 N ATOM 720 CA PRO A 46 11.906 -1.963 -5.407 1.00 0.00 C ATOM 721 C PRO A 46 11.504 -3.439 -5.365 1.00 0.00 C ATOM 722 O PRO A 46 10.518 -3.795 -4.758 1.00 0.00 O ATOM 723 CB PRO A 46 11.131 -1.192 -6.479 1.00 0.00 C ATOM 724 CG PRO A 46 12.164 -0.364 -7.290 1.00 0.00 C ATOM 725 CD PRO A 46 13.567 -0.854 -6.888 1.00 0.00 C ATOM 0 HA PRO A 46 11.705 -1.576 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.592 -1.879 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.389 -0.538 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.004 -0.494 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.054 0.700 -7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.080 -1.322 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.194 -0.029 -6.550 1.00 0.00 H new ATOM 733 N GLU A 47 12.264 -4.306 -5.979 1.00 0.00 N ATOM 734 CA GLU A 47 11.915 -5.749 -5.929 1.00 0.00 C ATOM 735 C GLU A 47 12.337 -6.305 -4.568 1.00 0.00 C ATOM 736 O GLU A 47 11.547 -6.397 -3.665 1.00 0.00 O ATOM 737 CB GLU A 47 12.642 -6.506 -7.042 1.00 0.00 C ATOM 738 CG GLU A 47 11.615 -7.101 -8.007 1.00 0.00 C ATOM 739 CD GLU A 47 12.337 -7.877 -9.109 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.080 -8.787 -8.777 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.135 -7.549 -10.267 1.00 0.00 O ATOM 0 H GLU A 47 13.105 -4.077 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 47 10.841 -5.872 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.312 -5.833 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.258 -7.298 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.935 -7.761 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.009 -6.307 -8.444 1.00 0.00 H new ATOM 748 N GLN A 48 13.575 -6.669 -4.402 1.00 0.00 N ATOM 749 CA GLN A 48 14.002 -7.208 -3.076 1.00 0.00 C ATOM 750 C GLN A 48 13.453 -6.323 -1.966 1.00 0.00 C ATOM 751 O GLN A 48 13.140 -6.780 -0.892 1.00 0.00 O ATOM 752 CB GLN A 48 15.527 -7.214 -2.970 1.00 0.00 C ATOM 753 CG GLN A 48 16.091 -8.390 -3.765 1.00 0.00 C ATOM 754 CD GLN A 48 17.618 -8.380 -3.676 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.296 -8.177 -4.665 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.195 -8.594 -2.523 1.00 0.00 N ATOM 0 H GLN A 48 14.304 -6.620 -5.114 1.00 0.00 H new ATOM 0 HA GLN A 48 13.622 -8.225 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.932 -6.277 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.829 -7.290 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.699 -9.329 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.776 -8.323 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.628 -8.764 -1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.213 -8.591 -2.454 1.00 0.00 H new ATOM 765 N ALA A 49 13.354 -5.057 -2.216 1.00 0.00 N ATOM 766 CA ALA A 49 12.844 -4.130 -1.178 1.00 0.00 C ATOM 767 C ALA A 49 11.381 -4.442 -0.863 1.00 0.00 C ATOM 768 O ALA A 49 11.051 -4.799 0.233 1.00 0.00 O ATOM 769 CB ALA A 49 12.963 -2.691 -1.680 1.00 0.00 C ATOM 0 H ALA A 49 13.606 -4.619 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 49 13.435 -4.253 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.588 -2.008 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.008 -2.464 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.377 -2.574 -2.592 1.00 0.00 H new ATOM 775 N VAL A 50 10.502 -4.295 -1.811 1.00 0.00 N ATOM 776 CA VAL A 50 9.055 -4.566 -1.537 1.00 0.00 C ATOM 777 C VAL A 50 8.821 -6.063 -1.305 1.00 0.00 C ATOM 778 O VAL A 50 8.183 -6.468 -0.357 1.00 0.00 O ATOM 779 CB VAL A 50 8.229 -4.071 -2.729 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.224 -5.111 -3.855 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.794 -3.820 -2.285 1.00 0.00 C ATOM 0 H VAL A 50 10.716 -4.000 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 50 8.749 -4.039 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 50 8.677 -3.149 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.632 -4.739 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.246 -5.293 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.790 -6.042 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.207 -3.468 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.363 -4.746 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.783 -3.066 -1.498 1.00 0.00 H new ATOM 791 N VAL A 51 9.331 -6.869 -2.176 1.00 0.00 N ATOM 792 CA VAL A 51 9.166 -8.345 -2.062 1.00 0.00 C ATOM 793 C VAL A 51 9.651 -8.831 -0.687 1.00 0.00 C ATOM 794 O VAL A 51 9.014 -9.639 -0.041 1.00 0.00 O ATOM 795 CB VAL A 51 9.993 -9.001 -3.170 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.449 -9.105 -2.724 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.456 -10.398 -3.470 1.00 0.00 C ATOM 0 H VAL A 51 9.871 -6.566 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 51 8.114 -8.613 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 51 9.925 -8.391 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.039 -9.572 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.840 -8.108 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.510 -9.709 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.052 -10.855 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.514 -11.011 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.418 -10.327 -3.794 1.00 0.00 H new ATOM 807 N ARG A 52 10.777 -8.345 -0.240 1.00 0.00 N ATOM 808 CA ARG A 52 11.305 -8.773 1.083 1.00 0.00 C ATOM 809 C ARG A 52 10.480 -8.092 2.171 1.00 0.00 C ATOM 810 O ARG A 52 10.204 -8.663 3.206 1.00 0.00 O ATOM 811 CB ARG A 52 12.777 -8.367 1.197 1.00 0.00 C ATOM 812 CG ARG A 52 13.595 -9.102 0.132 1.00 0.00 C ATOM 813 CD ARG A 52 14.041 -10.458 0.681 1.00 0.00 C ATOM 814 NE ARG A 52 14.466 -11.336 -0.445 1.00 0.00 N ATOM 815 CZ ARG A 52 15.144 -12.426 -0.203 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.368 -12.348 0.242 1.00 0.00 N ATOM 817 NH2 ARG A 52 14.598 -13.594 -0.408 1.00 0.00 N ATOM 0 H ARG A 52 11.355 -7.667 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 52 11.234 -9.855 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.879 -7.289 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.155 -8.607 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.998 -9.241 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.464 -8.507 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.864 -10.325 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.225 -10.925 1.232 1.00 0.00 H new ATOM 0 HE ARG A 52 14.228 -11.086 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.796 -11.436 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.897 -13.199 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.642 -13.656 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.128 -14.445 -0.219 1.00 0.00 H new ATOM 831 N GLU A 53 10.048 -6.886 1.918 1.00 0.00 N ATOM 832 CA GLU A 53 9.194 -6.172 2.906 1.00 0.00 C ATOM 833 C GLU A 53 7.828 -6.847 2.907 1.00 0.00 C ATOM 834 O GLU A 53 7.008 -6.642 3.780 1.00 0.00 O ATOM 835 CB GLU A 53 9.041 -4.709 2.500 1.00 0.00 C ATOM 836 CG GLU A 53 10.419 -4.058 2.483 1.00 0.00 C ATOM 837 CD GLU A 53 10.683 -3.369 3.820 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.830 -3.459 4.687 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.740 -2.776 3.959 1.00 0.00 O ATOM 0 H GLU A 53 10.252 -6.364 1.066 1.00 0.00 H new ATOM 0 HA GLU A 53 9.645 -6.210 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.577 -4.637 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.387 -4.189 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.184 -4.811 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.478 -3.332 1.672 1.00 0.00 H new ATOM 846 N LEU A 54 7.598 -7.664 1.917 1.00 0.00 N ATOM 847 CA LEU A 54 6.314 -8.390 1.802 1.00 0.00 C ATOM 848 C LEU A 54 6.341 -9.591 2.752 1.00 0.00 C ATOM 849 O LEU A 54 5.581 -9.672 3.696 1.00 0.00 O ATOM 850 CB LEU A 54 6.183 -8.872 0.351 1.00 0.00 C ATOM 851 CG LEU A 54 5.125 -8.053 -0.390 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.775 -8.204 0.304 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.527 -6.576 -0.389 1.00 0.00 C ATOM 0 H LEU A 54 8.264 -7.859 1.170 1.00 0.00 H new ATOM 0 HA LEU A 54 5.471 -7.750 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.143 -8.782 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.912 -9.928 0.335 1.00 0.00 H new ATOM 0 HG LEU A 54 5.049 -8.414 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.025 -7.619 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.482 -9.254 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.852 -7.848 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.772 -5.993 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.606 -6.221 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.489 -6.461 -0.888 1.00 0.00 H new ATOM 865 N GLN A 55 7.220 -10.520 2.503 1.00 0.00 N ATOM 866 CA GLN A 55 7.318 -11.726 3.383 1.00 0.00 C ATOM 867 C GLN A 55 7.575 -11.303 4.833 1.00 0.00 C ATOM 868 O GLN A 55 6.896 -11.734 5.742 1.00 0.00 O ATOM 869 CB GLN A 55 8.474 -12.629 2.923 1.00 0.00 C ATOM 870 CG GLN A 55 9.531 -11.807 2.174 1.00 0.00 C ATOM 871 CD GLN A 55 10.920 -12.374 2.467 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.428 -12.234 3.561 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.559 -13.013 1.526 1.00 0.00 N ATOM 0 H GLN A 55 7.880 -10.499 1.725 1.00 0.00 H new ATOM 0 HA GLN A 55 6.376 -12.271 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.928 -13.117 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.092 -13.418 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.335 -11.833 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.480 -10.763 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.131 -13.130 0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.487 -13.396 1.709 1.00 0.00 H new ATOM 882 N GLU A 56 8.564 -10.478 5.062 1.00 0.00 N ATOM 883 CA GLU A 56 8.871 -10.054 6.460 1.00 0.00 C ATOM 884 C GLU A 56 7.601 -9.566 7.163 1.00 0.00 C ATOM 885 O GLU A 56 7.532 -9.533 8.375 1.00 0.00 O ATOM 886 CB GLU A 56 9.907 -8.926 6.443 1.00 0.00 C ATOM 887 CG GLU A 56 9.425 -7.787 5.551 1.00 0.00 C ATOM 888 CD GLU A 56 8.545 -6.824 6.354 1.00 0.00 C ATOM 889 OE1 GLU A 56 8.290 -7.111 7.512 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.141 -5.812 5.796 1.00 0.00 O ATOM 0 H GLU A 56 9.170 -10.081 4.344 1.00 0.00 H new ATOM 0 HA GLU A 56 9.270 -10.911 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.074 -8.560 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.862 -9.304 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.280 -7.252 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.863 -8.188 4.708 1.00 0.00 H new ATOM 897 N GLU A 57 6.597 -9.183 6.424 1.00 0.00 N ATOM 898 CA GLU A 57 5.349 -8.697 7.075 1.00 0.00 C ATOM 899 C GLU A 57 4.500 -9.885 7.534 1.00 0.00 C ATOM 900 O GLU A 57 4.652 -10.384 8.630 1.00 0.00 O ATOM 901 CB GLU A 57 4.552 -7.839 6.088 1.00 0.00 C ATOM 902 CG GLU A 57 4.770 -6.363 6.422 1.00 0.00 C ATOM 903 CD GLU A 57 4.729 -5.526 5.142 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.914 -5.824 4.287 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.517 -4.599 5.041 1.00 0.00 O ATOM 0 H GLU A 57 6.586 -9.185 5.404 1.00 0.00 H new ATOM 0 HA GLU A 57 5.612 -8.094 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.872 -8.045 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.492 -8.085 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.001 -6.021 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.730 -6.232 6.921 1.00 0.00 H new ATOM 912 N VAL A 58 3.600 -10.330 6.704 1.00 0.00 N ATOM 913 CA VAL A 58 2.729 -11.470 7.080 1.00 0.00 C ATOM 914 C VAL A 58 3.491 -12.787 6.889 1.00 0.00 C ATOM 915 O VAL A 58 4.002 -13.348 7.838 1.00 0.00 O ATOM 916 CB VAL A 58 1.486 -11.417 6.199 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.454 -12.432 6.673 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.895 -10.009 6.292 1.00 0.00 C ATOM 0 H VAL A 58 3.431 -9.947 5.774 1.00 0.00 H new ATOM 0 HA VAL A 58 2.434 -11.409 8.128 1.00 0.00 H new ATOM 0 HB VAL A 58 1.755 -11.654 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.427 -12.381 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.880 -13.434 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.169 -12.208 7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.003 -9.947 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.630 -9.793 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.630 -9.282 5.947 1.00 0.00 H new ATOM 928 N GLY A 59 3.605 -13.287 5.682 1.00 0.00 N ATOM 929 CA GLY A 59 4.374 -14.557 5.506 1.00 0.00 C ATOM 930 C GLY A 59 3.807 -15.439 4.380 1.00 0.00 C ATOM 931 O GLY A 59 4.048 -16.630 4.357 1.00 0.00 O ATOM 0 H GLY A 59 3.210 -12.883 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.415 -14.320 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.364 -15.117 6.441 1.00 0.00 H new ATOM 935 N ILE A 60 3.089 -14.894 3.435 1.00 0.00 N ATOM 936 CA ILE A 60 2.571 -15.766 2.329 1.00 0.00 C ATOM 937 C ILE A 60 3.688 -15.928 1.289 1.00 0.00 C ATOM 938 O ILE A 60 4.830 -15.610 1.555 1.00 0.00 O ATOM 939 CB ILE A 60 1.329 -15.145 1.677 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.625 -13.703 1.278 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.161 -15.169 2.667 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.759 -13.607 -0.242 1.00 0.00 C ATOM 0 H ILE A 60 2.840 -13.907 3.376 1.00 0.00 H new ATOM 0 HA ILE A 60 2.281 -16.736 2.732 1.00 0.00 H new ATOM 0 HB ILE A 60 1.065 -15.720 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.826 -13.048 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.544 -13.364 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.720 -14.727 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.056 -16.199 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.426 -14.598 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.970 -12.576 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.574 -14.249 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.828 -13.928 -0.710 1.00 0.00 H new ATOM 954 N THR A 61 3.394 -16.421 0.113 1.00 0.00 N ATOM 955 CA THR A 61 4.489 -16.584 -0.890 1.00 0.00 C ATOM 956 C THR A 61 4.158 -15.826 -2.192 1.00 0.00 C ATOM 957 O THR A 61 4.770 -14.811 -2.460 1.00 0.00 O ATOM 958 CB THR A 61 4.733 -18.077 -1.149 1.00 0.00 C ATOM 959 OG1 THR A 61 5.532 -18.600 -0.096 1.00 0.00 O ATOM 960 CG2 THR A 61 5.467 -18.268 -2.480 1.00 0.00 C ATOM 0 H THR A 61 2.465 -16.712 -0.192 1.00 0.00 H new ATOM 0 HA THR A 61 5.407 -16.151 -0.493 1.00 0.00 H new ATOM 0 HB THR A 61 3.776 -18.598 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.693 -19.554 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.635 -19.331 -2.654 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.864 -17.859 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.426 -17.750 -2.444 1.00 0.00 H new ATOM 968 N PRO A 62 3.211 -16.308 -2.972 1.00 0.00 N ATOM 969 CA PRO A 62 2.842 -15.632 -4.224 1.00 0.00 C ATOM 970 C PRO A 62 2.264 -14.261 -3.915 1.00 0.00 C ATOM 971 O PRO A 62 2.311 -13.796 -2.796 1.00 0.00 O ATOM 972 CB PRO A 62 1.770 -16.512 -4.864 1.00 0.00 C ATOM 973 CG PRO A 62 1.399 -17.598 -3.830 1.00 0.00 C ATOM 974 CD PRO A 62 2.436 -17.526 -2.692 1.00 0.00 C ATOM 0 HA PRO A 62 3.701 -15.494 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.895 -15.920 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.142 -16.966 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.393 -17.432 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.404 -18.585 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.951 -17.472 -1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.075 -18.409 -2.682 1.00 0.00 H new ATOM 982 N GLN A 63 1.728 -13.638 -4.924 1.00 0.00 N ATOM 983 CA GLN A 63 1.130 -12.279 -4.806 1.00 0.00 C ATOM 984 C GLN A 63 1.539 -11.523 -6.055 1.00 0.00 C ATOM 985 O GLN A 63 0.909 -10.566 -6.458 1.00 0.00 O ATOM 986 CB GLN A 63 1.670 -11.528 -3.590 1.00 0.00 C ATOM 987 CG GLN A 63 3.197 -11.561 -3.620 1.00 0.00 C ATOM 988 CD GLN A 63 3.742 -10.131 -3.579 1.00 0.00 C ATOM 989 OE1 GLN A 63 2.997 -9.189 -3.392 1.00 0.00 O ATOM 990 NE2 GLN A 63 5.021 -9.930 -3.746 1.00 0.00 N ATOM 0 H GLN A 63 1.678 -14.031 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 63 0.049 -12.361 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.316 -10.497 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.302 -11.985 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.575 -12.130 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.542 -12.067 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.645 -10.721 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.396 -8.982 -3.720 1.00 0.00 H new ATOM 999 N HIS A 64 2.611 -11.953 -6.669 1.00 0.00 N ATOM 1000 CA HIS A 64 3.076 -11.262 -7.886 1.00 0.00 C ATOM 1001 C HIS A 64 3.309 -9.803 -7.522 1.00 0.00 C ATOM 1002 O HIS A 64 3.329 -9.451 -6.359 1.00 0.00 O ATOM 1003 CB HIS A 64 1.999 -11.395 -8.954 1.00 0.00 C ATOM 1004 CG HIS A 64 2.639 -11.674 -10.286 1.00 0.00 C ATOM 1005 ND1 HIS A 64 3.035 -12.948 -10.661 1.00 0.00 N ATOM 1006 CD2 HIS A 64 2.955 -10.856 -11.343 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.561 -12.861 -11.897 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.537 -11.608 -12.359 1.00 0.00 N ATOM 0 H HIS A 64 3.176 -12.750 -6.374 1.00 0.00 H new ATOM 0 HA HIS A 64 4.001 -11.691 -8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.312 -12.200 -8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.410 -10.479 -9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.779 -9.791 -11.380 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.955 -13.702 -12.448 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.873 -11.274 -13.262 1.00 0.00 H new ATOM 1016 N PHE A 65 3.483 -8.943 -8.477 1.00 0.00 N ATOM 1017 CA PHE A 65 3.708 -7.522 -8.115 1.00 0.00 C ATOM 1018 C PHE A 65 3.875 -6.668 -9.366 1.00 0.00 C ATOM 1019 O PHE A 65 4.340 -7.120 -10.393 1.00 0.00 O ATOM 1020 CB PHE A 65 4.966 -7.412 -7.248 1.00 0.00 C ATOM 1021 CG PHE A 65 6.163 -7.938 -8.007 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.365 -9.320 -8.127 1.00 0.00 C ATOM 1023 CD2 PHE A 65 7.073 -7.046 -8.585 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.478 -9.806 -8.822 1.00 0.00 C ATOM 1025 CE2 PHE A 65 8.186 -7.532 -9.282 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.388 -8.912 -9.401 1.00 0.00 C ATOM 0 H PHE A 65 3.480 -9.154 -9.475 1.00 0.00 H new ATOM 0 HA PHE A 65 2.842 -7.160 -7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.133 -6.373 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.833 -7.977 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.662 -10.009 -7.683 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.917 -5.981 -8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.636 -10.871 -8.912 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.888 -6.843 -9.727 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.246 -9.288 -9.939 1.00 0.00 H new ATOM 1036 N SER A 66 3.500 -5.426 -9.269 1.00 0.00 N ATOM 1037 CA SER A 66 3.629 -4.500 -10.421 1.00 0.00 C ATOM 1038 C SER A 66 3.613 -3.074 -9.881 1.00 0.00 C ATOM 1039 O SER A 66 2.899 -2.767 -8.953 1.00 0.00 O ATOM 1040 CB SER A 66 2.456 -4.696 -11.377 1.00 0.00 C ATOM 1041 OG SER A 66 2.950 -4.957 -12.685 1.00 0.00 O ATOM 0 H SER A 66 3.104 -5.008 -8.427 1.00 0.00 H new ATOM 0 HA SER A 66 4.556 -4.695 -10.960 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.833 -5.524 -11.040 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.827 -3.806 -11.385 1.00 0.00 H new ATOM 0 HG SER A 66 2.197 -5.085 -13.299 1.00 0.00 H new ATOM 1047 N LEU A 67 4.397 -2.202 -10.440 1.00 0.00 N ATOM 1048 CA LEU A 67 4.421 -0.799 -9.936 1.00 0.00 C ATOM 1049 C LEU A 67 3.070 -0.143 -10.205 1.00 0.00 C ATOM 1050 O LEU A 67 2.340 0.192 -9.298 1.00 0.00 O ATOM 1051 CB LEU A 67 5.509 -0.008 -10.666 1.00 0.00 C ATOM 1052 CG LEU A 67 6.076 1.106 -9.772 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.500 2.272 -10.659 1.00 0.00 C ATOM 1054 CD2 LEU A 67 5.016 1.599 -8.776 1.00 0.00 C ATOM 0 H LEU A 67 5.022 -2.395 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 67 4.627 -0.805 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.312 -0.681 -10.968 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.098 0.426 -11.577 1.00 0.00 H new ATOM 0 HG LEU A 67 6.925 0.714 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.905 3.072 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.262 1.936 -11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.636 2.642 -11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.440 2.387 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.158 1.990 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.697 0.770 -8.144 1.00 0.00 H new ATOM 1066 N PHE A 68 2.762 0.051 -11.456 1.00 0.00 N ATOM 1067 CA PHE A 68 1.481 0.689 -11.862 1.00 0.00 C ATOM 1068 C PHE A 68 1.667 2.208 -11.836 1.00 0.00 C ATOM 1069 O PHE A 68 1.438 2.888 -12.816 1.00 0.00 O ATOM 1070 CB PHE A 68 0.338 0.236 -10.922 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.307 1.425 -10.239 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -1.181 2.250 -10.956 1.00 0.00 C ATOM 1073 CD2 PHE A 68 -0.017 1.710 -8.898 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.766 3.358 -10.334 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.606 2.817 -8.277 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.479 3.641 -8.994 1.00 0.00 C ATOM 0 H PHE A 68 3.363 -0.214 -12.236 1.00 0.00 H new ATOM 0 HA PHE A 68 1.206 0.384 -12.872 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.412 -0.311 -11.493 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.730 -0.450 -10.172 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.404 2.031 -11.990 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.660 1.076 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.439 3.995 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.386 3.035 -7.242 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.932 4.496 -8.514 1.00 0.00 H new ATOM 1086 N GLU A 69 2.090 2.725 -10.719 1.00 0.00 N ATOM 1087 CA GLU A 69 2.309 4.194 -10.586 1.00 0.00 C ATOM 1088 C GLU A 69 2.548 4.516 -9.112 1.00 0.00 C ATOM 1089 O GLU A 69 2.069 3.827 -8.240 1.00 0.00 O ATOM 1090 CB GLU A 69 1.072 4.965 -11.067 1.00 0.00 C ATOM 1091 CG GLU A 69 1.402 6.455 -11.145 1.00 0.00 C ATOM 1092 CD GLU A 69 2.396 6.696 -12.283 1.00 0.00 C ATOM 1093 OE1 GLU A 69 1.965 6.721 -13.424 1.00 0.00 O ATOM 1094 OE2 GLU A 69 3.571 6.850 -11.993 1.00 0.00 O ATOM 0 H GLU A 69 2.297 2.185 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 69 3.167 4.487 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.759 4.599 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.239 4.801 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.493 7.032 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.825 6.795 -10.200 1.00 0.00 H new ATOM 1101 N LYS A 70 3.278 5.553 -8.818 1.00 0.00 N ATOM 1102 CA LYS A 70 3.526 5.894 -7.387 1.00 0.00 C ATOM 1103 C LYS A 70 3.550 7.412 -7.227 1.00 0.00 C ATOM 1104 O LYS A 70 3.109 8.142 -8.093 1.00 0.00 O ATOM 1105 CB LYS A 70 4.865 5.308 -6.913 1.00 0.00 C ATOM 1106 CG LYS A 70 5.708 4.832 -8.100 1.00 0.00 C ATOM 1107 CD LYS A 70 6.486 6.014 -8.674 1.00 0.00 C ATOM 1108 CE LYS A 70 7.404 6.589 -7.593 1.00 0.00 C ATOM 1109 NZ LYS A 70 8.617 7.175 -8.228 1.00 0.00 N ATOM 0 H LYS A 70 3.712 6.177 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 70 2.726 5.468 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.416 6.061 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.681 4.474 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.396 4.049 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.065 4.398 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.074 5.694 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.797 6.781 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.876 7.352 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.691 5.806 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.937 7.995 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.373 6.461 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.390 7.478 -9.197 1.00 0.00 H new ATOM 1123 N LEU A 71 4.053 7.897 -6.126 1.00 0.00 N ATOM 1124 CA LEU A 71 4.088 9.370 -5.927 1.00 0.00 C ATOM 1125 C LEU A 71 5.264 9.759 -5.036 1.00 0.00 C ATOM 1126 O LEU A 71 6.042 8.931 -4.605 1.00 0.00 O ATOM 1127 CB LEU A 71 2.784 9.826 -5.262 1.00 0.00 C ATOM 1128 CG LEU A 71 2.441 8.920 -4.068 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.575 8.932 -3.031 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.157 9.430 -3.405 1.00 0.00 C ATOM 0 H LEU A 71 4.438 7.341 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 71 4.202 9.852 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.882 10.858 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.972 9.803 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 71 2.306 7.901 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.311 8.284 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.494 8.572 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.726 9.949 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.907 8.792 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.308 10.452 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.341 9.409 -4.128 1.00 0.00 H new ATOM 1142 N GLU A 72 5.371 11.021 -4.738 1.00 0.00 N ATOM 1143 CA GLU A 72 6.459 11.504 -3.851 1.00 0.00 C ATOM 1144 C GLU A 72 5.932 12.725 -3.101 1.00 0.00 C ATOM 1145 O GLU A 72 6.036 13.845 -3.561 1.00 0.00 O ATOM 1146 CB GLU A 72 7.689 11.887 -4.682 1.00 0.00 C ATOM 1147 CG GLU A 72 8.960 11.449 -3.945 1.00 0.00 C ATOM 1148 CD GLU A 72 10.043 11.086 -4.964 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.136 11.770 -5.969 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.761 10.130 -4.722 1.00 0.00 O ATOM 0 H GLU A 72 4.741 11.748 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 72 6.756 10.723 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.642 11.412 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.706 12.964 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.311 12.251 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.745 10.592 -3.306 1.00 0.00 H new ATOM 1157 N TYR A 73 5.353 12.515 -1.951 1.00 0.00 N ATOM 1158 CA TYR A 73 4.803 13.655 -1.176 1.00 0.00 C ATOM 1159 C TYR A 73 5.965 14.357 -0.487 1.00 0.00 C ATOM 1160 O TYR A 73 6.567 13.835 0.430 1.00 0.00 O ATOM 1161 CB TYR A 73 3.804 13.126 -0.141 1.00 0.00 C ATOM 1162 CG TYR A 73 2.632 14.072 -0.029 1.00 0.00 C ATOM 1163 CD1 TYR A 73 1.664 14.103 -1.038 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.511 14.909 1.086 1.00 0.00 C ATOM 1165 CE1 TYR A 73 0.572 14.972 -0.935 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.420 15.779 1.189 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.449 15.811 0.179 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.628 16.668 0.286 1.00 0.00 O ATOM 0 H TYR A 73 5.238 11.599 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 73 4.284 14.357 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.456 12.135 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.292 13.021 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.759 13.456 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.258 14.883 1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.175 14.995 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.326 16.427 2.048 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.559 17.177 1.120 1.00 0.00 H new ATOM 1178 N GLU A 74 6.308 15.525 -0.948 1.00 0.00 N ATOM 1179 CA GLU A 74 7.454 16.247 -0.353 1.00 0.00 C ATOM 1180 C GLU A 74 6.970 17.182 0.753 1.00 0.00 C ATOM 1181 O GLU A 74 6.501 18.274 0.500 1.00 0.00 O ATOM 1182 CB GLU A 74 8.155 17.062 -1.441 1.00 0.00 C ATOM 1183 CG GLU A 74 9.576 17.416 -0.996 1.00 0.00 C ATOM 1184 CD GLU A 74 10.092 18.587 -1.833 1.00 0.00 C ATOM 1185 OE1 GLU A 74 9.364 19.031 -2.706 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.206 19.019 -1.589 1.00 0.00 O ATOM 0 H GLU A 74 5.840 16.009 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 74 8.150 15.525 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.187 16.492 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.591 17.972 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.583 17.679 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.232 16.553 -1.114 1.00 0.00 H new ATOM 1193 N PHE A 75 7.093 16.766 1.980 1.00 0.00 N ATOM 1194 CA PHE A 75 6.656 17.631 3.107 1.00 0.00 C ATOM 1195 C PHE A 75 7.741 18.680 3.364 1.00 0.00 C ATOM 1196 O PHE A 75 8.821 18.593 2.817 1.00 0.00 O ATOM 1197 CB PHE A 75 6.484 16.774 4.368 1.00 0.00 C ATOM 1198 CG PHE A 75 5.022 16.484 4.624 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.046 17.456 4.373 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.649 15.230 5.122 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.697 17.173 4.622 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.301 14.947 5.370 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.326 15.917 5.120 1.00 0.00 C ATOM 0 H PHE A 75 7.478 15.862 2.252 1.00 0.00 H new ATOM 0 HA PHE A 75 5.710 18.114 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.031 15.838 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.913 17.291 5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.333 18.423 3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.402 14.480 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.943 17.922 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.014 13.979 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.286 15.698 5.311 1.00 0.00 H new ATOM 1213 N PRO A 76 7.431 19.634 4.204 1.00 0.00 N ATOM 1214 CA PRO A 76 8.385 20.696 4.560 1.00 0.00 C ATOM 1215 C PRO A 76 9.707 20.070 5.005 1.00 0.00 C ATOM 1216 O PRO A 76 10.758 20.359 4.468 1.00 0.00 O ATOM 1217 CB PRO A 76 7.713 21.445 5.719 1.00 0.00 C ATOM 1218 CG PRO A 76 6.277 20.882 5.871 1.00 0.00 C ATOM 1219 CD PRO A 76 6.119 19.730 4.867 1.00 0.00 C ATOM 0 HA PRO A 76 8.614 21.362 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.277 21.309 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.685 22.516 5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.110 20.528 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.539 21.661 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.860 18.798 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.326 19.936 4.149 1.00 0.00 H new ATOM 1227 N ASP A 77 9.656 19.200 5.973 1.00 0.00 N ATOM 1228 CA ASP A 77 10.896 18.533 6.451 1.00 0.00 C ATOM 1229 C ASP A 77 10.646 17.027 6.494 1.00 0.00 C ATOM 1230 O ASP A 77 11.119 16.328 7.369 1.00 0.00 O ATOM 1231 CB ASP A 77 11.246 19.039 7.852 1.00 0.00 C ATOM 1232 CG ASP A 77 10.821 20.502 7.988 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.653 20.737 8.253 1.00 0.00 O ATOM 1234 OD2 ASP A 77 11.670 21.365 7.827 1.00 0.00 O ATOM 0 H ASP A 77 8.802 18.921 6.456 1.00 0.00 H new ATOM 0 HA ASP A 77 11.725 18.756 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.744 18.432 8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.317 18.943 8.028 1.00 0.00 H new ATOM 1239 N ARG A 78 9.888 16.527 5.556 1.00 0.00 N ATOM 1240 CA ARG A 78 9.580 15.070 5.535 1.00 0.00 C ATOM 1241 C ARG A 78 9.507 14.579 4.086 1.00 0.00 C ATOM 1242 O ARG A 78 8.469 14.613 3.462 1.00 0.00 O ATOM 1243 CB ARG A 78 8.228 14.841 6.215 1.00 0.00 C ATOM 1244 CG ARG A 78 8.445 14.326 7.639 1.00 0.00 C ATOM 1245 CD ARG A 78 9.060 12.922 7.595 1.00 0.00 C ATOM 1246 NE ARG A 78 8.033 11.903 7.966 1.00 0.00 N ATOM 1247 CZ ARG A 78 7.153 12.165 8.893 1.00 0.00 C ATOM 1248 NH1 ARG A 78 7.542 12.408 10.114 1.00 0.00 N ATOM 1249 NH2 ARG A 78 5.883 12.185 8.594 1.00 0.00 N ATOM 0 H ARG A 78 9.467 17.068 4.801 1.00 0.00 H new ATOM 0 HA ARG A 78 10.361 14.522 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.660 15.771 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.640 14.122 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.102 15.004 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.496 14.301 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.445 12.716 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.905 12.865 8.281 1.00 0.00 H new ATOM 0 HE ARG A 78 8.020 10.999 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.535 12.393 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.853 12.613 10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.581 11.996 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.192 12.389 9.316 1.00 0.00 H new ATOM 1263 N HIS A 79 10.596 14.117 3.542 1.00 0.00 N ATOM 1264 CA HIS A 79 10.563 13.623 2.137 1.00 0.00 C ATOM 1265 C HIS A 79 10.037 12.187 2.124 1.00 0.00 C ATOM 1266 O HIS A 79 10.791 11.243 2.247 1.00 0.00 O ATOM 1267 CB HIS A 79 11.977 13.653 1.554 1.00 0.00 C ATOM 1268 CG HIS A 79 11.936 14.237 0.167 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.899 15.121 -0.293 1.00 0.00 N ATOM 1270 CD2 HIS A 79 11.053 14.072 -0.872 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.578 15.449 -1.558 1.00 0.00 C ATOM 1272 NE2 HIS A 79 11.461 14.837 -1.960 1.00 0.00 N ATOM 0 H HIS A 79 11.503 14.060 4.005 1.00 0.00 H new ATOM 0 HA HIS A 79 9.911 14.259 1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.632 14.247 2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.391 12.645 1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.175 13.444 -0.848 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.153 16.125 -2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.005 14.914 -2.869 1.00 0.00 H new ATOM 1280 N ILE A 80 8.750 12.007 1.985 1.00 0.00 N ATOM 1281 CA ILE A 80 8.203 10.621 1.978 1.00 0.00 C ATOM 1282 C ILE A 80 7.965 10.153 0.543 1.00 0.00 C ATOM 1283 O ILE A 80 7.762 10.935 -0.364 1.00 0.00 O ATOM 1284 CB ILE A 80 6.855 10.546 2.712 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.028 10.758 4.226 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.263 9.155 2.472 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.950 11.947 4.492 1.00 0.00 C ATOM 0 H ILE A 80 8.061 12.752 1.877 1.00 0.00 H new ATOM 0 HA ILE A 80 8.935 9.989 2.480 1.00 0.00 H new ATOM 0 HB ILE A 80 6.200 11.330 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.057 10.931 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.442 9.858 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.304 9.075 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.118 9.001 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.945 8.398 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.064 12.086 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.926 11.758 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.519 12.847 4.054 1.00 0.00 H new ATOM 1299 N THR A 81 7.936 8.865 0.361 1.00 0.00 N ATOM 1300 CA THR A 81 7.656 8.285 -0.973 1.00 0.00 C ATOM 1301 C THR A 81 6.680 7.134 -0.750 1.00 0.00 C ATOM 1302 O THR A 81 6.420 6.754 0.374 1.00 0.00 O ATOM 1303 CB THR A 81 8.947 7.761 -1.600 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.017 8.642 -1.285 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.780 7.678 -3.118 1.00 0.00 C ATOM 0 H THR A 81 8.098 8.178 1.098 1.00 0.00 H new ATOM 0 HA THR A 81 7.238 9.033 -1.647 1.00 0.00 H new ATOM 0 HB THR A 81 9.167 6.769 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.738 8.527 -1.938 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.701 7.304 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.960 7.001 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.560 8.669 -3.515 1.00 0.00 H new ATOM 1313 N LEU A 82 6.129 6.572 -1.781 1.00 0.00 N ATOM 1314 CA LEU A 82 5.175 5.455 -1.559 1.00 0.00 C ATOM 1315 C LEU A 82 5.040 4.625 -2.827 1.00 0.00 C ATOM 1316 O LEU A 82 4.153 4.835 -3.627 1.00 0.00 O ATOM 1317 CB LEU A 82 3.809 6.019 -1.168 1.00 0.00 C ATOM 1318 CG LEU A 82 3.151 5.094 -0.143 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.120 5.787 1.221 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.720 4.777 -0.586 1.00 0.00 C ATOM 0 H LEU A 82 6.292 6.830 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 82 5.550 4.820 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.922 7.020 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.175 6.111 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 82 3.722 4.168 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.651 5.129 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.138 6.014 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.548 6.712 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.251 4.118 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.149 5.702 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.741 4.285 -1.558 1.00 0.00 H new ATOM 1332 N TRP A 83 5.911 3.678 -3.015 1.00 0.00 N ATOM 1333 CA TRP A 83 5.821 2.824 -4.240 1.00 0.00 C ATOM 1334 C TRP A 83 4.529 1.993 -4.201 1.00 0.00 C ATOM 1335 O TRP A 83 4.362 1.138 -3.354 1.00 0.00 O ATOM 1336 CB TRP A 83 7.016 1.871 -4.289 1.00 0.00 C ATOM 1337 CG TRP A 83 8.271 2.646 -4.509 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.087 3.086 -3.528 1.00 0.00 C ATOM 1339 CD2 TRP A 83 8.869 3.076 -5.767 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.155 3.757 -4.102 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.063 3.778 -5.480 1.00 0.00 C ATOM 1342 CE3 TRP A 83 8.496 2.925 -7.114 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 10.859 4.314 -6.495 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.294 3.462 -8.138 1.00 0.00 C ATOM 1345 CH2 TRP A 83 10.473 4.154 -7.829 1.00 0.00 C ATOM 0 H TRP A 83 6.679 3.455 -2.382 1.00 0.00 H new ATOM 0 HA TRP A 83 5.820 3.467 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.083 1.309 -3.357 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.881 1.145 -5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.933 2.939 -2.469 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.915 4.183 -3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 83 7.590 2.393 -7.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 11.766 4.848 -6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.997 3.341 -9.169 1.00 0.00 H new ATOM 0 HH2 TRP A 83 11.083 4.563 -8.621 1.00 0.00 H new ATOM 1356 N PHE A 84 3.617 2.224 -5.115 1.00 0.00 N ATOM 1357 CA PHE A 84 2.346 1.430 -5.122 1.00 0.00 C ATOM 1358 C PHE A 84 2.529 0.179 -5.974 1.00 0.00 C ATOM 1359 O PHE A 84 1.970 0.064 -7.043 1.00 0.00 O ATOM 1360 CB PHE A 84 1.207 2.255 -5.726 1.00 0.00 C ATOM 1361 CG PHE A 84 0.885 3.420 -4.829 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.834 4.424 -4.628 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.361 3.495 -4.195 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.541 5.505 -3.792 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.655 4.578 -3.358 1.00 0.00 C ATOM 1366 CZ PHE A 84 0.296 5.583 -3.156 1.00 0.00 C ATOM 0 H PHE A 84 3.696 2.924 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 84 2.103 1.161 -4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.492 2.614 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.323 1.630 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.794 4.365 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.095 2.718 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.276 6.281 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.616 4.637 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.070 6.419 -2.510 1.00 0.00 H new ATOM 1376 N TRP A 85 3.286 -0.769 -5.509 1.00 0.00 N ATOM 1377 CA TRP A 85 3.472 -2.011 -6.303 1.00 0.00 C ATOM 1378 C TRP A 85 2.180 -2.834 -6.259 1.00 0.00 C ATOM 1379 O TRP A 85 2.002 -3.683 -5.411 1.00 0.00 O ATOM 1380 CB TRP A 85 4.626 -2.819 -5.710 1.00 0.00 C ATOM 1381 CG TRP A 85 5.914 -2.169 -6.094 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.635 -1.341 -5.302 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.640 -2.266 -7.352 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.757 -0.925 -5.995 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.804 -1.467 -7.265 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.402 -2.961 -8.550 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.701 -1.364 -8.329 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.302 -2.861 -9.623 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.450 -2.063 -9.512 1.00 0.00 C ATOM 0 H TRP A 85 3.782 -0.739 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 85 3.704 -1.761 -7.338 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.536 -2.866 -4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.597 -3.845 -6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.376 -1.053 -4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.464 -0.295 -5.615 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.520 -3.577 -8.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.583 -0.748 -8.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.109 -3.401 -10.538 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.139 -1.989 -10.340 1.00 0.00 H new ATOM 1400 N LEU A 86 1.265 -2.586 -7.159 1.00 0.00 N ATOM 1401 CA LEU A 86 -0.007 -3.358 -7.139 1.00 0.00 C ATOM 1402 C LEU A 86 0.257 -4.817 -7.515 1.00 0.00 C ATOM 1403 O LEU A 86 0.883 -5.111 -8.514 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.996 -2.757 -8.137 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.838 -1.677 -7.454 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.451 -2.224 -6.161 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.948 -0.475 -7.134 1.00 0.00 C ATOM 0 H LEU A 86 1.344 -1.889 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.426 -3.312 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.457 -2.329 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.644 -3.538 -8.534 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.644 -1.372 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.048 -1.447 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.087 -3.079 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.655 -2.537 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.542 0.298 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.142 -0.786 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.525 -0.080 -8.057 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.238 -5.731 -6.726 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.045 -7.180 -7.031 1.00 0.00 C ATOM 1421 C VAL A 87 -1.433 -7.798 -7.259 1.00 0.00 C ATOM 1422 O VAL A 87 -2.430 -7.118 -7.128 1.00 0.00 O ATOM 1423 CB VAL A 87 0.700 -7.872 -5.863 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.404 -6.820 -4.997 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.272 -8.669 -4.982 1.00 0.00 C ATOM 0 H VAL A 87 -0.771 -5.537 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 87 0.564 -7.314 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 87 1.431 -8.557 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.926 -7.314 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.122 -6.269 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.665 -6.128 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.279 -9.144 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.022 -7.996 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.764 -9.434 -5.583 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.531 -9.060 -7.606 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.897 -9.625 -7.835 1.00 0.00 C ATOM 1437 C GLU A 88 -2.934 -11.163 -7.744 1.00 0.00 C ATOM 1438 O GLU A 88 -3.772 -11.787 -8.365 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.379 -9.210 -9.230 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.716 -7.717 -9.241 1.00 0.00 C ATOM 1441 CD GLU A 88 -4.670 -7.419 -10.399 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -4.207 -7.388 -11.529 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -5.846 -7.227 -10.139 1.00 0.00 O ATOM 0 H GLU A 88 -0.751 -9.704 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.543 -9.232 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.607 -9.423 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.257 -9.792 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.174 -7.430 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.805 -7.128 -9.346 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.080 -11.799 -6.979 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.178 -13.296 -6.905 1.00 0.00 C ATOM 1452 C ARG A 89 -1.494 -13.850 -5.642 1.00 0.00 C ATOM 1453 O ARG A 89 -0.620 -14.683 -5.707 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.590 -13.930 -8.182 1.00 0.00 C ATOM 1455 CG ARG A 89 -0.073 -14.123 -8.071 1.00 0.00 C ATOM 1456 CD ARG A 89 0.241 -15.618 -7.926 1.00 0.00 C ATOM 1457 NE ARG A 89 0.148 -16.268 -9.265 1.00 0.00 N ATOM 1458 CZ ARG A 89 0.639 -17.463 -9.452 1.00 0.00 C ATOM 1459 NH1 ARG A 89 0.417 -18.405 -8.577 1.00 0.00 N ATOM 1460 NH2 ARG A 89 1.346 -17.718 -10.519 1.00 0.00 N ATOM 0 H ARG A 89 -1.343 -11.369 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.233 -13.563 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.067 -14.893 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.815 -13.296 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.422 -13.720 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.313 -13.574 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.239 -15.754 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.459 -16.084 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.301 -15.777 -10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.141 -18.208 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.801 -19.338 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.515 -16.984 -11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.730 -18.652 -10.665 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.911 -13.424 -4.480 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.291 -13.968 -3.233 1.00 0.00 C ATOM 1476 C TRP A 90 -1.890 -15.347 -2.930 1.00 0.00 C ATOM 1477 O TRP A 90 -2.936 -15.699 -3.439 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.564 -13.021 -2.058 1.00 0.00 C ATOM 1479 CG TRP A 90 -3.008 -13.102 -1.656 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.596 -14.187 -1.099 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -4.050 -12.082 -1.751 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.926 -13.905 -0.861 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.255 -12.623 -1.241 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -4.072 -10.756 -2.226 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.435 -11.882 -1.203 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.263 -10.008 -2.187 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.440 -10.570 -1.676 1.00 0.00 C ATOM 0 H TRP A 90 -2.646 -12.731 -4.338 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.214 -14.058 -3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.928 -13.284 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.313 -11.998 -2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.104 -15.122 -0.877 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.586 -14.567 -0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.171 -10.312 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.340 -12.321 -0.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.270 -8.992 -2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.350 -9.988 -1.648 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.246 -16.130 -2.103 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.799 -17.481 -1.775 1.00 0.00 C ATOM 1500 C GLU A 91 -2.662 -17.390 -0.511 1.00 0.00 C ATOM 1501 O GLU A 91 -2.369 -16.637 0.392 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.631 -18.470 -1.568 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.627 -19.061 -0.148 1.00 0.00 C ATOM 1504 CD GLU A 91 0.542 -20.037 -0.004 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.420 -20.007 -0.850 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.539 -20.797 0.950 1.00 0.00 O ATOM 0 H GLU A 91 -0.367 -15.896 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.423 -17.838 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.705 -19.277 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.314 -17.959 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.541 -18.263 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.569 -19.574 0.046 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.709 -18.172 -0.443 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.594 -18.164 0.762 1.00 0.00 C ATOM 1515 C GLY A 92 -4.783 -16.740 1.287 1.00 0.00 C ATOM 1516 O GLY A 92 -5.724 -16.060 0.934 1.00 0.00 O ATOM 0 H GLY A 92 -3.991 -18.822 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.563 -18.595 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.160 -18.789 1.542 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.903 -16.288 2.138 1.00 0.00 N ATOM 1521 CA GLU A 93 -4.036 -14.914 2.691 1.00 0.00 C ATOM 1522 C GLU A 93 -3.003 -13.987 2.038 1.00 0.00 C ATOM 1523 O GLU A 93 -1.997 -14.439 1.531 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.808 -14.951 4.204 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.399 -15.467 4.499 1.00 0.00 C ATOM 1526 CD GLU A 93 -2.434 -16.353 5.745 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -3.334 -17.171 5.842 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -1.561 -16.199 6.582 1.00 0.00 O ATOM 0 H GLU A 93 -3.096 -16.814 2.474 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.037 -14.537 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.937 -13.954 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.549 -15.595 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.021 -16.033 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.718 -14.630 4.653 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.296 -12.712 2.065 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.422 -11.675 1.481 1.00 0.00 C ATOM 1537 C PRO A 94 -1.211 -11.428 2.389 1.00 0.00 C ATOM 1538 O PRO A 94 -0.867 -12.242 3.219 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.298 -10.419 1.452 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.534 -10.700 2.343 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.535 -12.199 2.672 1.00 0.00 C ATOM 0 HA PRO A 94 -2.043 -11.958 0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.745 -9.556 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.604 -10.187 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.491 -10.107 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.451 -10.421 1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.549 -12.369 3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.414 -12.695 2.260 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.581 -10.289 2.252 1.00 0.00 N ATOM 1550 CA TRP A 95 0.585 -9.975 3.120 1.00 0.00 C ATOM 1551 C TRP A 95 1.144 -8.590 2.781 1.00 0.00 C ATOM 1552 O TRP A 95 2.250 -8.465 2.306 1.00 0.00 O ATOM 1553 CB TRP A 95 1.683 -11.028 2.936 1.00 0.00 C ATOM 1554 CG TRP A 95 2.290 -10.925 1.571 1.00 0.00 C ATOM 1555 CD1 TRP A 95 1.740 -10.294 0.508 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.561 -11.467 1.111 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.595 -10.416 -0.575 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.733 -11.132 -0.250 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.568 -12.214 1.743 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.872 -11.523 -0.959 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.712 -12.609 1.034 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.863 -12.265 -0.315 1.00 0.00 C ATOM 0 H TRP A 95 -0.826 -9.566 1.576 1.00 0.00 H new ATOM 0 HA TRP A 95 0.251 -9.982 4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.455 -10.893 3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.266 -12.025 3.080 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.790 -9.780 0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.408 -10.026 -1.499 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.461 -12.486 2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.985 -11.253 -1.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.481 -13.182 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.745 -12.574 -0.856 1.00 0.00 H new ATOM 1573 N GLY A 96 0.398 -7.544 3.026 1.00 0.00 N ATOM 1574 CA GLY A 96 0.919 -6.182 2.706 1.00 0.00 C ATOM 1575 C GLY A 96 0.555 -5.188 3.816 1.00 0.00 C ATOM 1576 O GLY A 96 1.293 -4.264 4.092 1.00 0.00 O ATOM 0 H GLY A 96 -0.539 -7.572 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.002 -6.220 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.505 -5.842 1.757 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.582 -5.354 4.439 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.996 -4.397 5.519 1.00 0.00 C ATOM 1582 C LYS A 97 0.209 -4.007 6.381 1.00 0.00 C ATOM 1583 O LYS A 97 0.688 -4.780 7.188 1.00 0.00 O ATOM 1584 CB LYS A 97 -2.072 -5.013 6.426 1.00 0.00 C ATOM 1585 CG LYS A 97 -2.187 -6.523 6.206 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.828 -7.190 6.429 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.727 -7.668 7.878 1.00 0.00 C ATOM 1588 NZ LYS A 97 -1.325 -9.028 7.995 1.00 0.00 N ATOM 0 H LYS A 97 -1.243 -6.107 4.251 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.404 -3.513 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.829 -4.813 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.033 -4.540 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.924 -6.943 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.539 -6.726 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.708 -8.032 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.025 -6.486 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.316 -7.689 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.245 -6.973 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.247 -8.962 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.454 -9.433 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.692 -9.639 8.549 1.00 0.00 H new ATOM 1602 N GLU A 98 0.691 -2.803 6.227 1.00 0.00 N ATOM 1603 CA GLU A 98 1.851 -2.348 7.043 1.00 0.00 C ATOM 1604 C GLU A 98 1.355 -1.923 8.427 1.00 0.00 C ATOM 1605 O GLU A 98 0.830 -0.841 8.600 1.00 0.00 O ATOM 1606 CB GLU A 98 2.521 -1.160 6.356 1.00 0.00 C ATOM 1607 CG GLU A 98 3.715 -0.685 7.187 1.00 0.00 C ATOM 1608 CD GLU A 98 4.555 -1.890 7.616 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.447 -2.259 6.872 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.291 -2.423 8.682 1.00 0.00 O ATOM 0 H GLU A 98 0.329 -2.113 5.568 1.00 0.00 H new ATOM 0 HA GLU A 98 2.570 -3.161 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.852 -1.445 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.805 -0.347 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.324 0.006 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.366 -0.141 8.065 1.00 0.00 H new ATOM 1617 N GLY A 99 1.506 -2.765 9.411 1.00 0.00 N ATOM 1618 CA GLY A 99 1.030 -2.401 10.774 1.00 0.00 C ATOM 1619 C GLY A 99 -0.444 -1.999 10.696 1.00 0.00 C ATOM 1620 O GLY A 99 -0.957 -1.297 11.545 1.00 0.00 O ATOM 0 H GLY A 99 1.937 -3.686 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.155 -3.244 11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.624 -1.579 11.173 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.124 -2.438 9.672 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.564 -2.088 9.515 1.00 0.00 C ATOM 1626 C GLN A 100 -3.385 -3.386 9.430 1.00 0.00 C ATOM 1627 O GLN A 100 -2.822 -4.458 9.342 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.725 -1.249 8.240 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.807 -2.159 7.013 1.00 0.00 C ATOM 1630 CD GLN A 100 -2.947 -1.300 5.757 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.571 -0.145 5.754 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -3.472 -1.816 4.681 1.00 0.00 N ATOM 0 H GLN A 100 -0.741 -3.028 8.933 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.921 -1.508 10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.625 -0.639 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.883 -0.565 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.913 -2.780 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.658 -2.834 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.788 -2.786 4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.567 -1.250 3.838 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.690 -3.253 9.477 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.597 -4.416 9.425 1.00 0.00 C ATOM 1643 C PRO A 101 -5.458 -5.155 8.089 1.00 0.00 C ATOM 1644 O PRO A 101 -5.369 -6.365 8.048 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.005 -3.822 9.570 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.856 -2.289 9.730 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.364 -1.948 9.589 1.00 0.00 C ATOM 0 HA PRO A 101 -5.374 -5.144 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.611 -4.058 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.513 -4.249 10.435 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.441 -1.767 8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.232 -1.967 10.701 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.180 -1.331 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.003 -1.389 10.452 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.446 -4.440 7.000 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.320 -5.108 5.675 1.00 0.00 C ATOM 1657 C GLY A 102 -6.491 -6.073 5.484 1.00 0.00 C ATOM 1658 O GLY A 102 -6.601 -7.070 6.170 1.00 0.00 O ATOM 0 H GLY A 102 -5.518 -3.423 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.313 -4.364 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.375 -5.648 5.615 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.366 -5.791 4.559 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.525 -6.715 4.338 1.00 0.00 C ATOM 1664 C GLU A 103 -9.011 -6.626 2.896 1.00 0.00 C ATOM 1665 O GLU A 103 -9.138 -5.555 2.338 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.679 -6.349 5.274 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.910 -4.842 5.242 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.679 -4.419 6.496 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.871 -4.671 6.548 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.062 -3.851 7.381 1.00 0.00 O ATOM 0 H GLU A 103 -7.335 -4.973 3.951 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.192 -7.732 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.586 -6.872 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.451 -6.670 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.956 -4.318 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.471 -4.568 4.348 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.307 -7.746 2.291 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.807 -7.709 0.893 1.00 0.00 C ATOM 1679 C TRP A 104 -10.919 -6.668 0.827 1.00 0.00 C ATOM 1680 O TRP A 104 -11.766 -6.600 1.695 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.363 -9.079 0.492 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.477 -10.163 1.020 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.153 -10.282 0.768 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.831 -11.282 1.882 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.672 -11.407 1.419 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.670 -12.055 2.119 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -11.037 -11.697 2.474 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.706 -13.199 2.918 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -11.077 -12.847 3.277 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.914 -13.598 3.498 1.00 0.00 C ATOM 0 H TRP A 104 -9.224 -8.675 2.703 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.996 -7.455 0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.373 -9.200 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.431 -9.150 -0.594 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.567 -9.610 0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.701 -11.718 1.385 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.939 -11.126 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.806 -13.772 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -12.009 -13.155 3.727 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -9.951 -14.483 4.115 1.00 0.00 H new ATOM 1701 N MET A 105 -10.919 -5.847 -0.178 1.00 0.00 N ATOM 1702 CA MET A 105 -11.973 -4.802 -0.271 1.00 0.00 C ATOM 1703 C MET A 105 -12.672 -4.902 -1.623 1.00 0.00 C ATOM 1704 O MET A 105 -12.071 -4.699 -2.652 1.00 0.00 O ATOM 1705 CB MET A 105 -11.317 -3.427 -0.123 1.00 0.00 C ATOM 1706 CG MET A 105 -12.314 -2.439 0.485 1.00 0.00 C ATOM 1707 SD MET A 105 -13.818 -2.394 -0.520 1.00 0.00 S ATOM 1708 CE MET A 105 -14.986 -2.779 0.807 1.00 0.00 C ATOM 0 H MET A 105 -10.239 -5.852 -0.938 1.00 0.00 H new ATOM 0 HA MET A 105 -12.711 -4.943 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.433 -3.502 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.982 -3.067 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.556 -2.734 1.506 1.00 0.00 H new ATOM 0 HG3 MET A 105 -11.870 -1.445 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 105 -15.719 -3.501 0.448 1.00 0.00 H new ATOM 0 HE2 MET A 105 -14.447 -3.200 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.497 -1.868 1.118 1.00 0.00 H new ATOM 1718 N SER A 106 -13.938 -5.220 -1.628 1.00 0.00 N ATOM 1719 CA SER A 106 -14.674 -5.338 -2.919 1.00 0.00 C ATOM 1720 C SER A 106 -15.124 -3.954 -3.394 1.00 0.00 C ATOM 1721 O SER A 106 -16.297 -3.712 -3.606 1.00 0.00 O ATOM 1722 CB SER A 106 -15.900 -6.230 -2.723 1.00 0.00 C ATOM 1723 OG SER A 106 -16.005 -7.130 -3.817 1.00 0.00 O ATOM 0 H SER A 106 -14.495 -5.403 -0.793 1.00 0.00 H new ATOM 0 HA SER A 106 -14.014 -5.776 -3.668 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.815 -6.784 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.800 -5.620 -2.651 1.00 0.00 H new ATOM 0 HG SER A 106 -16.789 -7.705 -3.694 1.00 0.00 H new ATOM 1729 N LEU A 107 -14.204 -3.046 -3.573 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.578 -1.686 -4.046 1.00 0.00 C ATOM 1731 C LEU A 107 -14.767 -1.737 -5.568 1.00 0.00 C ATOM 1732 O LEU A 107 -15.681 -1.150 -6.109 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.465 -0.692 -3.651 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.239 0.344 -4.750 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.767 1.653 -4.114 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -12.169 -0.179 -5.712 1.00 0.00 C ATOM 0 H LEU A 107 -13.207 -3.189 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.509 -1.353 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -13.735 -0.189 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.539 -1.234 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.165 0.521 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.603 2.398 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.526 2.015 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.835 1.481 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.000 0.554 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.240 -0.346 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.504 -1.117 -6.154 1.00 0.00 H new ATOM 1748 N VAL A 108 -13.899 -2.441 -6.249 1.00 0.00 N ATOM 1749 CA VAL A 108 -13.997 -2.558 -7.734 1.00 0.00 C ATOM 1750 C VAL A 108 -13.649 -1.221 -8.386 1.00 0.00 C ATOM 1751 O VAL A 108 -14.217 -0.198 -8.061 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.412 -2.973 -8.141 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -15.516 -2.964 -9.664 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -15.700 -4.382 -7.618 1.00 0.00 C ATOM 0 H VAL A 108 -13.117 -2.946 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.293 -3.319 -8.071 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.136 -2.276 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.522 -3.259 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.306 -1.962 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.794 -3.665 -10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.708 -4.679 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -14.980 -5.082 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -15.617 -4.391 -6.531 1.00 0.00 H new ATOM 1764 N GLY A 109 -12.714 -1.228 -9.304 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.315 0.040 -9.980 1.00 0.00 C ATOM 1766 C GLY A 109 -12.255 1.148 -8.937 1.00 0.00 C ATOM 1767 O GLY A 109 -13.184 1.911 -8.767 1.00 0.00 O ATOM 0 H GLY A 109 -12.211 -2.060 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.345 -0.078 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.031 0.294 -10.761 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.177 1.221 -8.217 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.056 2.255 -7.161 1.00 0.00 C ATOM 1773 C LEU A 110 -11.582 3.602 -7.665 1.00 0.00 C ATOM 1774 O LEU A 110 -11.820 3.786 -8.842 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.600 2.389 -6.755 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.460 2.016 -5.289 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.525 0.814 -5.141 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -8.895 3.210 -4.541 1.00 0.00 C ATOM 0 H LEU A 110 -10.370 0.605 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.651 1.954 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.976 1.740 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.256 3.410 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.433 1.747 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.431 0.554 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.934 -0.035 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.543 1.065 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.787 2.960 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.920 3.470 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.571 4.058 -4.646 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.789 4.539 -6.774 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.334 5.863 -7.199 1.00 0.00 C ATOM 1792 C ASN A 111 -11.729 7.018 -6.386 1.00 0.00 C ATOM 1793 O ASN A 111 -11.994 8.168 -6.667 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.846 5.849 -6.965 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.562 6.428 -8.186 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -15.349 5.753 -8.819 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.322 7.659 -8.545 1.00 0.00 N ATOM 0 H ASN A 111 -11.605 4.445 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.085 6.019 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.186 4.830 -6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.092 6.432 -6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -14.795 8.055 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.661 8.226 -8.013 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.961 6.735 -5.363 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.387 7.832 -4.512 1.00 0.00 C ATOM 1806 C ALA A 112 -11.450 8.295 -3.510 1.00 0.00 C ATOM 1807 O ALA A 112 -11.149 8.700 -2.406 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.958 9.023 -5.375 1.00 0.00 C ATOM 0 H ALA A 112 -10.704 5.790 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.512 7.448 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.546 9.805 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.201 8.701 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.822 9.412 -5.913 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.694 8.225 -3.893 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.796 8.634 -2.993 1.00 0.00 C ATOM 1816 C ASP A 113 -13.733 7.801 -1.716 1.00 0.00 C ATOM 1817 O ASP A 113 -14.336 8.126 -0.712 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.112 8.356 -3.719 1.00 0.00 C ATOM 1819 CG ASP A 113 -15.963 9.626 -3.758 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.645 10.504 -4.544 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.921 9.697 -3.006 1.00 0.00 O ATOM 0 H ASP A 113 -12.994 7.895 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.717 9.690 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.912 8.011 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.656 7.559 -3.212 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.017 6.715 -1.760 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.919 5.829 -0.574 1.00 0.00 C ATOM 1828 C ASP A 114 -11.497 5.876 -0.003 1.00 0.00 C ATOM 1829 O ASP A 114 -11.249 5.428 1.098 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.276 4.414 -1.024 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.800 4.266 -1.039 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.395 4.581 -2.056 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.346 3.847 -0.033 1.00 0.00 O ATOM 0 H ASP A 114 -12.491 6.402 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.602 6.154 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.869 4.221 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.833 3.681 -0.349 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.565 6.428 -0.737 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.163 6.513 -0.230 1.00 0.00 C ATOM 1840 C PHE A 115 -8.887 7.928 0.304 1.00 0.00 C ATOM 1841 O PHE A 115 -9.440 8.891 -0.187 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.190 6.207 -1.369 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.874 4.729 -1.389 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -8.845 3.810 -1.794 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.603 4.284 -1.016 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -8.548 2.440 -1.827 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.303 2.917 -1.048 1.00 0.00 C ATOM 1848 CZ PHE A 115 -7.275 1.995 -1.452 1.00 0.00 C ATOM 0 H PHE A 115 -10.715 6.823 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.029 5.789 0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.625 6.508 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.273 6.783 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.827 4.156 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.852 4.995 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -9.299 1.730 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.320 2.574 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 115 -7.043 0.940 -1.474 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.031 8.001 1.297 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.648 9.281 1.926 1.00 0.00 C ATOM 1860 C PRO A 116 -6.922 10.180 0.918 1.00 0.00 C ATOM 1861 O PRO A 116 -6.143 9.701 0.118 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.690 8.884 3.059 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.559 7.343 3.053 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.380 6.814 1.871 1.00 0.00 C ATOM 0 HA PRO A 116 -8.514 9.838 2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.715 9.350 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.071 9.231 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.514 7.048 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.923 6.924 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.743 6.320 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.116 6.080 2.199 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.191 11.460 0.993 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.559 12.446 0.097 1.00 0.00 C ATOM 1874 C PRO A 117 -5.045 12.468 0.324 1.00 0.00 C ATOM 1875 O PRO A 117 -4.289 12.917 -0.515 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.181 13.792 0.493 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.168 13.531 1.661 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.139 12.026 1.968 1.00 0.00 C ATOM 0 HA PRO A 117 -6.720 12.215 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.407 14.496 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.701 14.237 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.880 14.107 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.175 13.847 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.814 11.837 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.129 11.582 1.861 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.596 11.987 1.453 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.132 11.979 1.730 1.00 0.00 C ATOM 1888 C ALA A 118 -2.389 11.460 0.499 1.00 0.00 C ATOM 1889 O ALA A 118 -1.462 12.076 0.013 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.843 11.062 2.919 1.00 0.00 C ATOM 0 H ALA A 118 -5.180 11.600 2.194 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.799 12.991 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.772 11.056 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.377 11.426 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.174 10.050 2.687 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.801 10.333 -0.012 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.133 9.767 -1.218 1.00 0.00 C ATOM 1898 C ASN A 119 -2.915 10.210 -2.454 1.00 0.00 C ATOM 1899 O ASN A 119 -3.353 9.409 -3.247 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.129 8.238 -1.133 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.878 7.763 -0.387 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.523 6.604 -0.454 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.189 8.615 0.326 1.00 0.00 N ATOM 0 H ASN A 119 -3.574 9.778 0.355 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.104 10.121 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.025 7.891 -0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.151 7.809 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.645 8.306 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.486 9.589 0.384 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.102 11.488 -2.595 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.869 12.035 -3.751 1.00 0.00 C ATOM 1912 C GLU A 120 -3.171 11.773 -5.097 1.00 0.00 C ATOM 1913 O GLU A 120 -3.820 11.411 -6.055 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.001 13.543 -3.565 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.467 13.911 -3.327 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.577 15.414 -3.063 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -4.547 16.069 -3.037 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.688 15.885 -2.888 1.00 0.00 O ATOM 0 H GLU A 120 -2.750 12.193 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.839 11.538 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.393 13.869 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.625 14.061 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.067 13.638 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.861 13.352 -2.478 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.884 12.017 -5.153 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.114 11.865 -6.405 1.00 0.00 C ATOM 1927 C PRO A 121 -1.259 10.472 -7.030 1.00 0.00 C ATOM 1928 O PRO A 121 -1.278 10.339 -8.237 1.00 0.00 O ATOM 1929 CB PRO A 121 0.340 12.152 -6.004 1.00 0.00 C ATOM 1930 CG PRO A 121 0.340 12.618 -4.524 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.089 12.455 -3.987 1.00 0.00 C ATOM 0 HA PRO A 121 -1.478 12.545 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.953 11.258 -6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.769 12.921 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.040 12.025 -3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.661 13.657 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.128 11.720 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.468 13.393 -3.580 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.360 9.439 -6.250 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.498 8.085 -6.858 1.00 0.00 C ATOM 1941 C VAL A 122 -2.974 7.662 -6.822 1.00 0.00 C ATOM 1942 O VAL A 122 -3.447 6.965 -7.698 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.619 7.095 -6.083 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.249 5.698 -6.088 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.771 7.022 -6.732 1.00 0.00 C ATOM 0 H VAL A 122 -1.354 9.467 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.170 8.099 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.532 7.442 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.611 5.009 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.232 5.740 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.352 5.349 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.394 6.318 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.673 6.687 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.234 8.009 -6.713 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.709 8.086 -5.829 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.151 7.715 -5.772 1.00 0.00 C ATOM 1957 C ILE A 123 -5.818 8.302 -7.016 1.00 0.00 C ATOM 1958 O ILE A 123 -6.797 7.786 -7.517 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.790 8.272 -4.483 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.786 7.184 -3.404 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.239 8.706 -4.738 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.957 7.651 -2.208 1.00 0.00 C ATOM 0 H ILE A 123 -3.376 8.669 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.279 6.633 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.211 9.136 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.807 6.966 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.373 6.259 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.670 9.095 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.257 9.482 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.821 7.849 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.955 6.876 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.934 7.846 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.390 8.564 -1.800 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.265 9.365 -7.528 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.826 9.987 -8.754 1.00 0.00 C ATOM 1976 C ALA A 124 -5.881 8.925 -9.845 1.00 0.00 C ATOM 1977 O ALA A 124 -6.794 8.870 -10.645 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.904 11.119 -9.203 1.00 0.00 C ATOM 0 H ALA A 124 -4.443 9.831 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.823 10.382 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.308 11.582 -10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.832 11.865 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.913 10.718 -9.415 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.888 8.089 -9.876 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.824 7.017 -10.906 1.00 0.00 C ATOM 1986 C LYS A 125 -5.757 5.854 -10.543 1.00 0.00 C ATOM 1987 O LYS A 125 -6.363 5.259 -11.411 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.384 6.529 -11.006 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.474 7.713 -11.353 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.845 8.286 -12.726 1.00 0.00 C ATOM 1991 CE LYS A 125 -2.259 9.692 -12.863 1.00 0.00 C ATOM 1992 NZ LYS A 125 -3.226 10.687 -12.317 1.00 0.00 N ATOM 0 H LYS A 125 -4.105 8.101 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 125 -5.151 7.415 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.073 6.080 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.302 5.755 -11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.567 8.487 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.433 7.391 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.462 7.641 -13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.929 8.319 -12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.312 9.757 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.048 9.910 -13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.708 11.519 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.885 10.979 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.760 10.258 -11.534 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.904 5.523 -9.286 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.837 4.406 -8.947 1.00 0.00 C ATOM 2008 C LEU A 126 -8.246 4.871 -9.292 1.00 0.00 C ATOM 2009 O LEU A 126 -9.145 4.091 -9.529 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.763 4.052 -7.459 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.363 3.547 -7.057 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.368 3.635 -8.220 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.845 4.398 -5.904 1.00 0.00 C ATOM 0 H LEU A 126 -5.432 5.964 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.563 3.514 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.017 4.929 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.504 3.286 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.453 2.501 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.394 3.269 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.725 3.026 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.277 4.672 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.855 4.050 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.785 5.440 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.525 4.314 -5.056 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.429 6.152 -9.358 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.756 6.690 -9.740 1.00 0.00 C ATOM 2027 C LYS A 127 -10.088 6.114 -11.102 1.00 0.00 C ATOM 2028 O LYS A 127 -11.219 5.807 -11.423 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.640 8.200 -9.859 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.991 8.739 -8.592 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.756 9.976 -8.108 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.796 11.028 -9.221 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.842 12.389 -8.615 1.00 0.00 N ATOM 0 H LYS A 127 -7.715 6.854 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.522 6.435 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.044 8.466 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.625 8.645 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.991 7.973 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.950 8.996 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.770 9.699 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.275 10.389 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.918 10.932 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.669 10.870 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.869 13.104 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.693 12.477 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.996 12.537 -8.028 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.073 5.961 -11.894 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.238 5.400 -13.253 1.00 0.00 C ATOM 2049 C ARG A 128 -9.275 3.871 -13.145 1.00 0.00 C ATOM 2050 O ARG A 128 -9.798 3.188 -14.003 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.047 5.831 -14.124 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.405 7.109 -13.564 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.457 7.712 -14.603 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.214 8.048 -15.840 1.00 0.00 N ATOM 2055 CZ ARG A 128 -6.677 8.826 -16.740 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.628 10.115 -16.542 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -6.187 8.314 -17.835 1.00 0.00 N ATOM 0 H ARG A 128 -8.114 6.207 -11.650 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.161 5.762 -13.705 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.307 5.031 -14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.381 6.003 -15.147 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.179 7.831 -13.302 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.859 6.881 -12.649 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.984 8.608 -14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -5.659 7.006 -14.834 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.151 7.671 -15.984 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.009 10.514 -15.684 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.208 10.723 -17.245 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.224 7.306 -17.988 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.767 8.921 -18.539 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.720 3.335 -12.088 1.00 0.00 N ATOM 2072 CA LEU A 129 -8.718 1.855 -11.906 1.00 0.00 C ATOM 2073 C LEU A 129 -10.088 1.292 -12.290 1.00 0.00 C ATOM 2074 O LEU A 129 -10.135 0.168 -12.761 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.417 1.511 -10.444 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.274 0.505 -10.394 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -5.996 1.180 -10.890 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.070 0.026 -8.954 1.00 0.00 C ATOM 2079 OXT LEU A 129 -11.068 1.995 -12.104 1.00 0.00 O ATOM 0 H LEU A 129 -8.267 3.862 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.950 1.416 -12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.149 2.412 -9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.304 1.097 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.512 -0.351 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.172 0.467 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.140 1.523 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.763 2.032 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.252 -0.693 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.829 0.878 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.984 -0.448 -8.595 1.00 0.00 H new