USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.454 X(o=-0.91,f=-1.1) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= -0.455 F(o=-2.9,f=-0.91) USER MOD Single : A 2 GLN : amide:sc= -1.99 K(o=-2,f=-5.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -140:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -167:sc= 0.108 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -3.43! (180deg=-4.42!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.175 (180deg=-0.994) USER MOD Single : A 31 GLN :FLIP amide:sc= 0.791 F(o=-0.56,f=0.79) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= -1.55 (180deg=-4.25!) USER MOD Single : A 40 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= -3.13 K(o=-3.1,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 0.236 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00241 K(o=-0.0024,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= -1.4 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 1.11 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.652 3.623 2.255 1.00 0.00 N ATOM 21 CA GLN A 2 -14.746 2.165 2.211 1.00 0.00 C ATOM 22 C GLN A 2 -13.836 1.506 3.249 1.00 0.00 C ATOM 23 O GLN A 2 -14.218 0.515 3.871 1.00 0.00 O ATOM 24 CB GLN A 2 -14.393 1.649 0.813 1.00 0.00 C ATOM 25 CG GLN A 2 -15.397 2.053 -0.255 1.00 0.00 C ATOM 26 CD GLN A 2 -16.809 1.600 0.070 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.017 0.772 0.957 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.793 2.140 -0.647 1.00 0.00 N ATOM 0 HA GLN A 2 -15.776 1.899 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.408 2.023 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.324 0.562 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.384 3.137 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.094 1.628 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.579 2.823 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.761 1.870 -0.469 1.00 0.00 H new ATOM 37 N ILE A 3 -12.632 2.048 3.434 1.00 0.00 N ATOM 38 CA ILE A 3 -11.687 1.486 4.397 1.00 0.00 C ATOM 39 C ILE A 3 -10.974 2.590 5.177 1.00 0.00 C ATOM 40 O ILE A 3 -11.072 3.765 4.829 1.00 0.00 O ATOM 41 CB ILE A 3 -10.629 0.593 3.706 1.00 0.00 C ATOM 42 CG1 ILE A 3 -11.157 0.056 2.371 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.229 -0.557 4.619 1.00 0.00 C ATOM 44 CD1 ILE A 3 -10.161 -0.811 1.633 1.00 0.00 C ATOM 0 H ILE A 3 -12.291 2.869 2.934 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.269 0.873 5.085 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.748 1.202 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.064 -0.521 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.436 0.896 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.484 -1.176 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.809 -0.159 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.107 -1.160 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.602 -1.156 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.263 -0.232 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.900 -1.671 2.250 1.00 0.00 H new ATOM 56 N PHE A 4 -10.258 2.212 6.236 1.00 0.00 N ATOM 57 CA PHE A 4 -9.542 3.185 7.053 1.00 0.00 C ATOM 58 C PHE A 4 -8.039 2.918 7.031 1.00 0.00 C ATOM 59 O PHE A 4 -7.554 1.996 7.687 1.00 0.00 O ATOM 60 CB PHE A 4 -10.060 3.150 8.494 1.00 0.00 C ATOM 61 CG PHE A 4 -11.038 4.246 8.807 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.595 5.484 9.244 1.00 0.00 C ATOM 63 CD2 PHE A 4 -12.401 4.038 8.666 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.493 6.495 9.533 1.00 0.00 C ATOM 65 CE2 PHE A 4 -13.304 5.044 8.954 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.849 6.274 9.389 1.00 0.00 C ATOM 0 H PHE A 4 -10.160 1.245 6.545 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.720 4.175 6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.536 2.187 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.214 3.223 9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.536 5.661 9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.762 3.078 8.327 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.135 7.456 9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -14.364 4.869 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.552 7.061 9.616 1.00 0.00 H new ATOM 76 N VAL A 5 -7.307 3.732 6.272 1.00 0.00 N ATOM 77 CA VAL A 5 -5.861 3.585 6.167 1.00 0.00 C ATOM 78 C VAL A 5 -5.161 4.920 6.417 1.00 0.00 C ATOM 79 O VAL A 5 -5.746 5.982 6.209 1.00 0.00 O ATOM 80 CB VAL A 5 -5.450 3.052 4.781 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.976 2.676 4.766 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.314 1.862 4.390 1.00 0.00 C ATOM 0 H VAL A 5 -7.694 4.499 5.722 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.555 2.866 6.927 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.606 3.844 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.706 2.302 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.374 3.554 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.790 1.902 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.010 1.498 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.192 1.067 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.360 2.167 4.356 1.00 0.00 H new ATOM 92 N LYS A 6 -3.909 4.864 6.869 1.00 0.00 N ATOM 93 CA LYS A 6 -3.147 6.077 7.145 1.00 0.00 C ATOM 94 C LYS A 6 -2.076 6.305 6.081 1.00 0.00 C ATOM 95 O LYS A 6 -1.595 5.356 5.461 1.00 0.00 O ATOM 96 CB LYS A 6 -2.499 5.993 8.529 1.00 0.00 C ATOM 97 CG LYS A 6 -3.407 6.460 9.656 1.00 0.00 C ATOM 98 CD LYS A 6 -2.642 6.608 10.961 1.00 0.00 C ATOM 99 CE LYS A 6 -3.501 6.220 12.155 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.253 7.104 13.328 1.00 0.00 N ATOM 0 H LYS A 6 -3.405 3.996 7.050 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.837 6.921 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.199 4.962 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.590 6.595 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.860 7.414 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.221 5.747 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.750 5.983 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.306 7.639 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.554 6.272 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.295 5.186 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.857 6.807 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.254 7.035 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.474 8.088 13.074 1.00 0.00 H new ATOM 114 N THR A 7 -1.706 7.567 5.873 1.00 0.00 N ATOM 115 CA THR A 7 -0.692 7.909 4.883 1.00 0.00 C ATOM 116 C THR A 7 0.669 8.142 5.560 1.00 0.00 C ATOM 117 O THR A 7 1.000 7.438 6.514 1.00 0.00 O ATOM 118 CB THR A 7 -1.147 9.124 4.063 1.00 0.00 C ATOM 119 OG1 THR A 7 -2.547 9.328 4.197 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.840 8.983 2.585 1.00 0.00 C ATOM 0 H THR A 7 -2.093 8.366 6.376 1.00 0.00 H new ATOM 0 HA THR A 7 -0.566 7.074 4.194 1.00 0.00 H new ATOM 0 HB THR A 7 -0.590 9.973 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.925 9.585 3.330 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.184 9.871 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.235 8.871 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.350 8.105 2.190 1.00 0.00 H new ATOM 128 N LEU A 8 1.474 9.101 5.079 1.00 0.00 N ATOM 129 CA LEU A 8 2.783 9.342 5.685 1.00 0.00 C ATOM 130 C LEU A 8 2.642 9.841 7.123 1.00 0.00 C ATOM 131 O LEU A 8 3.386 9.417 8.007 1.00 0.00 O ATOM 132 CB LEU A 8 3.611 10.319 4.838 1.00 0.00 C ATOM 133 CG LEU A 8 3.269 11.804 5.001 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.465 12.668 4.630 1.00 0.00 C ATOM 135 CD2 LEU A 8 2.062 12.170 4.148 1.00 0.00 C ATOM 0 H LEU A 8 1.246 9.707 4.291 1.00 0.00 H new ATOM 0 HA LEU A 8 3.316 8.392 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.664 10.180 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.490 10.052 3.788 1.00 0.00 H new ATOM 0 HG LEU A 8 3.020 11.988 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.206 13.720 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.305 12.424 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.742 12.480 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.833 13.228 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.284 11.971 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.204 11.573 4.457 1.00 0.00 H new ATOM 147 N THR A 9 1.685 10.737 7.356 1.00 0.00 N ATOM 148 CA THR A 9 1.455 11.276 8.691 1.00 0.00 C ATOM 149 C THR A 9 0.121 10.784 9.248 1.00 0.00 C ATOM 150 O THR A 9 0.083 10.051 10.236 1.00 0.00 O ATOM 151 CB THR A 9 1.485 12.808 8.659 1.00 0.00 C ATOM 152 OG1 THR A 9 2.742 13.280 8.201 1.00 0.00 O ATOM 153 CG2 THR A 9 1.215 13.441 10.009 1.00 0.00 C ATOM 0 H THR A 9 1.059 11.103 6.639 1.00 0.00 H new ATOM 0 HA THR A 9 2.252 10.924 9.346 1.00 0.00 H new ATOM 0 HB THR A 9 0.686 13.097 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.738 14.260 8.187 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.251 14.526 9.916 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.229 13.140 10.361 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.971 13.113 10.722 1.00 0.00 H new ATOM 161 N GLY A 10 -0.975 11.189 8.607 1.00 0.00 N ATOM 162 CA GLY A 10 -2.294 10.773 9.057 1.00 0.00 C ATOM 163 C GLY A 10 -3.416 11.377 8.227 1.00 0.00 C ATOM 164 O GLY A 10 -4.385 11.901 8.776 1.00 0.00 O ATOM 0 H GLY A 10 -0.973 11.796 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.361 9.686 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.425 11.060 10.100 1.00 0.00 H new ATOM 168 N LYS A 11 -3.288 11.307 6.901 1.00 0.00 N ATOM 169 CA LYS A 11 -4.304 11.853 6.007 1.00 0.00 C ATOM 170 C LYS A 11 -5.431 10.848 5.781 1.00 0.00 C ATOM 171 O LYS A 11 -5.407 9.743 6.324 1.00 0.00 O ATOM 172 CB LYS A 11 -3.680 12.249 4.665 1.00 0.00 C ATOM 173 CG LYS A 11 -4.135 13.609 4.159 1.00 0.00 C ATOM 174 CD LYS A 11 -3.042 14.300 3.361 1.00 0.00 C ATOM 175 CE LYS A 11 -3.253 14.132 1.865 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.973 13.883 1.147 1.00 0.00 N ATOM 0 H LYS A 11 -2.493 10.879 6.426 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.723 12.741 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.595 12.253 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.929 11.492 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.021 13.489 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.422 14.235 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.024 15.361 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.071 13.890 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.937 13.302 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.726 15.028 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.161 13.774 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.329 14.686 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.533 13.014 1.513 1.00 0.00 H new ATOM 190 N THR A 12 -6.418 11.234 4.972 1.00 0.00 N ATOM 191 CA THR A 12 -7.546 10.361 4.675 1.00 0.00 C ATOM 192 C THR A 12 -7.401 9.745 3.284 1.00 0.00 C ATOM 193 O THR A 12 -7.435 10.453 2.277 1.00 0.00 O ATOM 194 CB THR A 12 -8.864 11.136 4.777 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.969 10.251 4.732 1.00 0.00 O ATOM 196 CG2 THR A 12 -9.053 12.160 3.677 1.00 0.00 C ATOM 0 H THR A 12 -6.456 12.144 4.513 1.00 0.00 H new ATOM 0 HA THR A 12 -7.556 9.556 5.409 1.00 0.00 H new ATOM 0 HB THR A 12 -8.812 11.662 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.802 10.763 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.007 12.669 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.244 12.889 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.045 11.660 2.709 1.00 0.00 H new ATOM 204 N ILE A 13 -7.236 8.424 3.231 1.00 0.00 N ATOM 205 CA ILE A 13 -7.084 7.726 1.960 1.00 0.00 C ATOM 206 C ILE A 13 -8.137 6.631 1.801 1.00 0.00 C ATOM 207 O ILE A 13 -8.408 5.879 2.737 1.00 0.00 O ATOM 208 CB ILE A 13 -5.680 7.102 1.828 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.503 6.463 0.449 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.449 6.075 2.927 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.139 5.842 0.240 1.00 0.00 C ATOM 0 H ILE A 13 -7.205 7.819 4.052 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.219 8.468 1.173 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.939 7.894 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.267 5.697 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.670 7.220 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.454 5.644 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.532 6.559 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.196 5.285 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.086 5.409 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.371 6.608 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.977 5.061 0.983 1.00 0.00 H new ATOM 223 N THR A 14 -8.729 6.543 0.610 1.00 0.00 N ATOM 224 CA THR A 14 -9.747 5.537 0.336 1.00 0.00 C ATOM 225 C THR A 14 -9.188 4.429 -0.553 1.00 0.00 C ATOM 226 O THR A 14 -8.102 4.564 -1.117 1.00 0.00 O ATOM 227 CB THR A 14 -10.963 6.180 -0.334 1.00 0.00 C ATOM 228 OG1 THR A 14 -11.964 5.212 -0.593 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.633 6.860 -1.645 1.00 0.00 C ATOM 0 H THR A 14 -8.519 7.157 -0.177 1.00 0.00 H new ATOM 0 HA THR A 14 -10.055 5.098 1.285 1.00 0.00 H new ATOM 0 HB THR A 14 -11.316 6.934 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.633 5.588 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.539 7.295 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.899 7.647 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.223 6.128 -2.341 1.00 0.00 H new ATOM 237 N LEU A 15 -9.934 3.331 -0.679 1.00 0.00 N ATOM 238 CA LEU A 15 -9.499 2.208 -1.503 1.00 0.00 C ATOM 239 C LEU A 15 -10.639 1.709 -2.390 1.00 0.00 C ATOM 240 O LEU A 15 -11.373 0.796 -2.015 1.00 0.00 O ATOM 241 CB LEU A 15 -8.985 1.069 -0.620 1.00 0.00 C ATOM 242 CG LEU A 15 -7.705 0.393 -1.116 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.975 -0.386 -2.395 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.610 1.425 -1.340 1.00 0.00 C ATOM 0 H LEU A 15 -10.837 3.198 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.689 2.553 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.807 1.458 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.767 0.314 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.366 -0.307 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.054 -0.860 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.728 -1.151 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.337 0.294 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.707 0.927 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.939 2.149 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.398 1.940 -0.403 1.00 0.00 H new ATOM 256 N GLU A 16 -10.782 2.312 -3.570 1.00 0.00 N ATOM 257 CA GLU A 16 -11.832 1.921 -4.504 1.00 0.00 C ATOM 258 C GLU A 16 -11.270 1.031 -5.610 1.00 0.00 C ATOM 259 O GLU A 16 -10.771 1.525 -6.621 1.00 0.00 O ATOM 260 CB GLU A 16 -12.491 3.161 -5.113 1.00 0.00 C ATOM 261 CG GLU A 16 -13.752 3.599 -4.385 1.00 0.00 C ATOM 262 CD GLU A 16 -13.486 4.685 -3.360 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.014 5.772 -3.756 1.00 0.00 O ATOM 264 OE2 GLU A 16 -13.749 4.449 -2.163 1.00 0.00 O ATOM 0 H GLU A 16 -10.185 3.071 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.583 1.355 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.775 3.982 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.735 2.957 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.480 3.961 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.198 2.737 -3.889 1.00 0.00 H new ATOM 271 N VAL A 17 -11.352 -0.284 -5.415 1.00 0.00 N ATOM 272 CA VAL A 17 -10.850 -1.234 -6.399 1.00 0.00 C ATOM 273 C VAL A 17 -11.882 -2.320 -6.695 1.00 0.00 C ATOM 274 O VAL A 17 -12.932 -2.378 -6.055 1.00 0.00 O ATOM 275 CB VAL A 17 -9.543 -1.896 -5.923 1.00 0.00 C ATOM 276 CG1 VAL A 17 -8.444 -0.858 -5.762 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.768 -2.651 -4.621 1.00 0.00 C ATOM 0 H VAL A 17 -11.761 -0.713 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.652 -0.670 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.225 -2.612 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.529 -1.346 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.263 -0.368 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.751 -0.114 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.833 -3.112 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.112 -1.958 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.520 -3.425 -4.775 1.00 0.00 H new ATOM 287 N GLU A 18 -11.578 -3.182 -7.664 1.00 0.00 N ATOM 288 CA GLU A 18 -12.485 -4.262 -8.035 1.00 0.00 C ATOM 289 C GLU A 18 -12.086 -5.565 -7.345 1.00 0.00 C ATOM 290 O GLU A 18 -10.974 -5.690 -6.832 1.00 0.00 O ATOM 291 CB GLU A 18 -12.493 -4.455 -9.554 1.00 0.00 C ATOM 292 CG GLU A 18 -13.603 -3.691 -10.257 1.00 0.00 C ATOM 293 CD GLU A 18 -13.289 -2.216 -10.408 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.103 -1.878 -10.603 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.231 -1.398 -10.333 1.00 0.00 O ATOM 0 H GLU A 18 -10.713 -3.152 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.488 -3.989 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.532 -4.137 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.596 -5.517 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.771 -4.126 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.530 -3.806 -9.696 1.00 0.00 H new ATOM 302 N PRO A 19 -12.993 -6.557 -7.325 1.00 0.00 N ATOM 303 CA PRO A 19 -12.731 -7.856 -6.696 1.00 0.00 C ATOM 304 C PRO A 19 -11.543 -8.579 -7.329 1.00 0.00 C ATOM 305 O PRO A 19 -10.756 -9.219 -6.634 1.00 0.00 O ATOM 306 CB PRO A 19 -14.026 -8.646 -6.928 1.00 0.00 C ATOM 307 CG PRO A 19 -14.717 -7.942 -8.045 1.00 0.00 C ATOM 308 CD PRO A 19 -14.341 -6.495 -7.914 1.00 0.00 C ATOM 0 HA PRO A 19 -12.472 -7.748 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.814 -9.683 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.644 -8.662 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.405 -8.341 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.797 -8.072 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.337 -5.990 -8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.037 -5.953 -7.274 1.00 0.00 H new ATOM 316 N SER A 20 -11.418 -8.475 -8.652 1.00 0.00 N ATOM 317 CA SER A 20 -10.319 -9.122 -9.367 1.00 0.00 C ATOM 318 C SER A 20 -9.021 -8.322 -9.237 1.00 0.00 C ATOM 319 O SER A 20 -7.931 -8.881 -9.365 1.00 0.00 O ATOM 320 CB SER A 20 -10.673 -9.300 -10.845 1.00 0.00 C ATOM 321 OG SER A 20 -10.454 -8.102 -11.571 1.00 0.00 O ATOM 0 H SER A 20 -12.060 -7.952 -9.247 1.00 0.00 H new ATOM 0 HA SER A 20 -10.163 -10.102 -8.915 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.072 -10.103 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.717 -9.600 -10.938 1.00 0.00 H new ATOM 0 HG SER A 20 -10.686 -8.243 -12.513 1.00 0.00 H new ATOM 327 N ASP A 21 -9.134 -7.016 -8.985 1.00 0.00 N ATOM 328 CA ASP A 21 -7.954 -6.167 -8.847 1.00 0.00 C ATOM 329 C ASP A 21 -7.131 -6.574 -7.625 1.00 0.00 C ATOM 330 O ASP A 21 -7.616 -6.518 -6.495 1.00 0.00 O ATOM 331 CB ASP A 21 -8.359 -4.695 -8.734 1.00 0.00 C ATOM 332 CG ASP A 21 -8.832 -4.124 -10.056 1.00 0.00 C ATOM 333 OD1 ASP A 21 -9.511 -4.854 -10.808 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.524 -2.948 -10.339 1.00 0.00 O ATOM 0 H ASP A 21 -10.023 -6.529 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.342 -6.297 -9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.152 -4.595 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.510 -4.114 -8.373 1.00 0.00 H new ATOM 339 N THR A 22 -5.884 -6.980 -7.858 1.00 0.00 N ATOM 340 CA THR A 22 -5.002 -7.392 -6.770 1.00 0.00 C ATOM 341 C THR A 22 -4.300 -6.184 -6.153 1.00 0.00 C ATOM 342 O THR A 22 -4.572 -5.043 -6.526 1.00 0.00 O ATOM 343 CB THR A 22 -3.961 -8.401 -7.271 1.00 0.00 C ATOM 344 OG1 THR A 22 -2.890 -7.743 -7.931 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.533 -9.430 -8.226 1.00 0.00 C ATOM 0 H THR A 22 -5.464 -7.032 -8.786 1.00 0.00 H new ATOM 0 HA THR A 22 -5.614 -7.868 -6.004 1.00 0.00 H new ATOM 0 HB THR A 22 -3.610 -8.916 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.239 -8.407 -8.240 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.744 -10.112 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.320 -9.993 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.947 -8.926 -9.099 1.00 0.00 H new ATOM 353 N ILE A 23 -3.394 -6.438 -5.209 1.00 0.00 N ATOM 354 CA ILE A 23 -2.661 -5.361 -4.550 1.00 0.00 C ATOM 355 C ILE A 23 -1.795 -4.595 -5.550 1.00 0.00 C ATOM 356 O ILE A 23 -1.702 -3.369 -5.490 1.00 0.00 O ATOM 357 CB ILE A 23 -1.766 -5.892 -3.408 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.588 -6.742 -2.435 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.095 -4.739 -2.673 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.925 -8.052 -2.069 1.00 0.00 C ATOM 0 H ILE A 23 -3.152 -7.375 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.407 -4.689 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.989 -6.520 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.767 -6.168 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.562 -6.948 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.469 -5.133 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.478 -4.173 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.857 -4.085 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.563 -8.602 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.770 -8.646 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.963 -7.853 -1.596 1.00 0.00 H new ATOM 372 N GLU A 24 -1.157 -5.322 -6.470 1.00 0.00 N ATOM 373 CA GLU A 24 -0.300 -4.697 -7.477 1.00 0.00 C ATOM 374 C GLU A 24 -1.038 -3.575 -8.207 1.00 0.00 C ATOM 375 O GLU A 24 -0.486 -2.496 -8.421 1.00 0.00 O ATOM 376 CB GLU A 24 0.192 -5.738 -8.490 1.00 0.00 C ATOM 377 CG GLU A 24 1.396 -6.530 -8.011 1.00 0.00 C ATOM 378 CD GLU A 24 2.701 -6.011 -8.581 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.907 -6.142 -9.806 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.517 -5.472 -7.804 1.00 0.00 O ATOM 0 H GLU A 24 -1.218 -6.338 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 24 0.559 -4.269 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.621 -6.428 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.447 -5.234 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.440 -6.494 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.272 -7.576 -8.291 1.00 0.00 H new ATOM 387 N ASN A 25 -2.291 -3.832 -8.582 1.00 0.00 N ATOM 388 CA ASN A 25 -3.096 -2.832 -9.282 1.00 0.00 C ATOM 389 C ASN A 25 -3.326 -1.603 -8.402 1.00 0.00 C ATOM 390 O ASN A 25 -3.378 -0.477 -8.901 1.00 0.00 O ATOM 391 CB ASN A 25 -4.442 -3.425 -9.710 1.00 0.00 C ATOM 392 CG ASN A 25 -4.883 -2.931 -11.077 1.00 0.00 C ATOM 393 OD1 ASN A 25 -5.762 -2.077 -11.184 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.275 -3.467 -12.133 1.00 0.00 N ATOM 0 H ASN A 25 -2.768 -4.718 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.546 -2.525 -10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.368 -4.512 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.201 -3.168 -8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.533 -3.172 -13.075 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.551 -4.173 -12.001 1.00 0.00 H new ATOM 401 N VAL A 26 -3.463 -1.819 -7.094 1.00 0.00 N ATOM 402 CA VAL A 26 -3.686 -0.719 -6.157 1.00 0.00 C ATOM 403 C VAL A 26 -2.414 0.103 -5.927 1.00 0.00 C ATOM 404 O VAL A 26 -2.475 1.195 -5.361 1.00 0.00 O ATOM 405 CB VAL A 26 -4.201 -1.229 -4.797 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.620 -0.065 -3.912 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.353 -2.201 -4.992 1.00 0.00 C ATOM 0 H VAL A 26 -3.424 -2.742 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.443 -0.081 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.389 -1.759 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.981 -0.446 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.765 0.589 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.415 0.497 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.703 -2.550 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.169 -1.699 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.015 -3.052 -5.583 1.00 0.00 H new ATOM 417 N LYS A 27 -1.261 -0.415 -6.362 1.00 0.00 N ATOM 418 CA LYS A 27 0.007 0.294 -6.185 1.00 0.00 C ATOM 419 C LYS A 27 -0.059 1.697 -6.788 1.00 0.00 C ATOM 420 O LYS A 27 0.476 2.649 -6.219 1.00 0.00 O ATOM 421 CB LYS A 27 1.157 -0.488 -6.825 1.00 0.00 C ATOM 422 CG LYS A 27 1.461 -1.804 -6.126 1.00 0.00 C ATOM 423 CD LYS A 27 2.747 -1.724 -5.316 1.00 0.00 C ATOM 424 CE LYS A 27 2.462 -1.566 -3.831 1.00 0.00 C ATOM 425 NZ LYS A 27 3.714 -1.523 -3.027 1.00 0.00 N ATOM 0 H LYS A 27 -1.181 -1.315 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 27 0.189 0.383 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.913 -0.688 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.054 0.132 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.632 -2.068 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.546 -2.599 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.338 -2.625 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.346 -0.882 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.893 -0.651 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.840 -2.394 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.507 -1.803 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.411 -2.178 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.100 -0.557 -3.037 1.00 0.00 H new ATOM 439 N ALA A 28 -0.714 1.824 -7.942 1.00 0.00 N ATOM 440 CA ALA A 28 -0.838 3.118 -8.608 1.00 0.00 C ATOM 441 C ALA A 28 -1.723 4.072 -7.805 1.00 0.00 C ATOM 442 O ALA A 28 -1.413 5.254 -7.672 1.00 0.00 O ATOM 443 CB ALA A 28 -1.390 2.946 -10.016 1.00 0.00 C ATOM 0 H ALA A 28 -1.164 1.051 -8.432 1.00 0.00 H new ATOM 0 HA ALA A 28 0.159 3.554 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.475 3.921 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.717 2.314 -10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.374 2.479 -9.967 1.00 0.00 H new ATOM 449 N LYS A 29 -2.832 3.555 -7.278 1.00 0.00 N ATOM 450 CA LYS A 29 -3.757 4.373 -6.495 1.00 0.00 C ATOM 451 C LYS A 29 -3.202 4.677 -5.102 1.00 0.00 C ATOM 452 O LYS A 29 -3.363 5.786 -4.593 1.00 0.00 O ATOM 453 CB LYS A 29 -5.116 3.676 -6.371 1.00 0.00 C ATOM 454 CG LYS A 29 -5.773 3.380 -7.709 1.00 0.00 C ATOM 455 CD LYS A 29 -6.584 2.096 -7.658 1.00 0.00 C ATOM 456 CE LYS A 29 -7.609 2.040 -8.780 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.534 3.206 -8.746 1.00 0.00 N ATOM 0 H LYS A 29 -3.111 2.579 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.883 5.318 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.987 2.742 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.783 4.302 -5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.421 4.210 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.008 3.298 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.915 1.239 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.091 2.023 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.095 2.013 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.184 1.118 -8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.411 2.968 -9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.757 3.444 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.081 4.022 -9.205 1.00 0.00 H new ATOM 471 N ILE A 30 -2.564 3.685 -4.481 1.00 0.00 N ATOM 472 CA ILE A 30 -2.009 3.857 -3.138 1.00 0.00 C ATOM 473 C ILE A 30 -0.732 4.707 -3.135 1.00 0.00 C ATOM 474 O ILE A 30 -0.386 5.295 -2.112 1.00 0.00 O ATOM 475 CB ILE A 30 -1.710 2.497 -2.471 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.272 2.701 -1.017 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.647 1.738 -3.252 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.201 1.415 -0.222 1.00 0.00 C ATOM 0 H ILE A 30 -2.419 2.759 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.774 4.382 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.623 1.902 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.294 3.181 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.968 3.383 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.451 0.783 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.999 1.562 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.271 2.325 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.885 1.635 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.184 0.944 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.483 0.739 -0.687 1.00 0.00 H new ATOM 490 N GLN A 31 -0.029 4.768 -4.268 1.00 0.00 N ATOM 491 CA GLN A 31 1.204 5.552 -4.351 1.00 0.00 C ATOM 492 C GLN A 31 0.917 7.043 -4.173 1.00 0.00 C ATOM 493 O GLN A 31 0.931 7.808 -5.137 1.00 0.00 O ATOM 494 CB GLN A 31 1.919 5.308 -5.684 1.00 0.00 C ATOM 495 CG GLN A 31 1.135 5.782 -6.897 1.00 0.00 C ATOM 496 CD GLN A 31 1.909 6.778 -7.742 1.00 0.00 C ATOM 497 OE1 GLN A 31 2.702 6.275 -8.687 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 1.796 7.989 -7.549 1.00 0.00 N flip ATOM 0 H GLN A 31 -0.289 4.290 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 31 1.858 5.227 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.884 5.815 -5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.121 4.242 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.867 4.922 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.203 6.240 -6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.177 8.333 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.321 8.648 -8.124 1.00 0.00 H new ATOM 507 N ASP A 32 0.655 7.450 -2.934 1.00 0.00 N ATOM 508 CA ASP A 32 0.360 8.851 -2.636 1.00 0.00 C ATOM 509 C ASP A 32 1.531 9.756 -3.024 1.00 0.00 C ATOM 510 O ASP A 32 1.420 10.552 -3.956 1.00 0.00 O ATOM 511 CB ASP A 32 0.027 9.029 -1.150 1.00 0.00 C ATOM 512 CG ASP A 32 -0.304 10.467 -0.798 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.299 10.996 -1.335 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.434 11.064 0.015 1.00 0.00 O ATOM 0 H ASP A 32 0.641 6.833 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.508 9.141 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.818 8.391 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.873 8.697 -0.549 1.00 0.00 H new ATOM 519 N LYS A 33 2.651 9.632 -2.312 1.00 0.00 N ATOM 520 CA LYS A 33 3.826 10.453 -2.610 1.00 0.00 C ATOM 521 C LYS A 33 4.680 9.810 -3.708 1.00 0.00 C ATOM 522 O LYS A 33 4.512 10.126 -4.887 1.00 0.00 O ATOM 523 CB LYS A 33 4.673 10.739 -1.352 1.00 0.00 C ATOM 524 CG LYS A 33 4.605 9.677 -0.260 1.00 0.00 C ATOM 525 CD LYS A 33 3.474 9.954 0.718 1.00 0.00 C ATOM 526 CE LYS A 33 2.771 8.671 1.132 1.00 0.00 C ATOM 527 NZ LYS A 33 3.300 8.135 2.417 1.00 0.00 N ATOM 0 H LYS A 33 2.770 8.981 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 33 3.460 11.413 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.713 10.858 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.354 11.691 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.463 8.696 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.553 9.645 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.870 10.455 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.755 10.634 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.702 8.859 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.892 7.922 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.545 7.131 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.149 8.669 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.576 8.230 3.157 1.00 0.00 H new ATOM 541 N GLU A 34 5.591 8.910 -3.330 1.00 0.00 N ATOM 542 CA GLU A 34 6.448 8.245 -4.310 1.00 0.00 C ATOM 543 C GLU A 34 7.379 7.231 -3.640 1.00 0.00 C ATOM 544 O GLU A 34 8.565 7.159 -3.965 1.00 0.00 O ATOM 545 CB GLU A 34 7.273 9.278 -5.080 1.00 0.00 C ATOM 546 CG GLU A 34 8.111 10.177 -4.185 1.00 0.00 C ATOM 547 CD GLU A 34 7.436 11.504 -3.896 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.728 12.017 -4.788 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.615 12.030 -2.777 1.00 0.00 O ATOM 0 H GLU A 34 5.752 8.628 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 34 5.803 7.707 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.931 8.759 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.601 9.896 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.311 9.663 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.075 10.360 -4.660 1.00 0.00 H new ATOM 556 N GLY A 35 6.841 6.447 -2.704 1.00 0.00 N ATOM 557 CA GLY A 35 7.652 5.457 -2.019 1.00 0.00 C ATOM 558 C GLY A 35 6.851 4.251 -1.552 1.00 0.00 C ATOM 559 O GLY A 35 7.181 3.643 -0.533 1.00 0.00 O ATOM 0 H GLY A 35 5.864 6.481 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.447 5.122 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.133 5.922 -1.158 1.00 0.00 H new ATOM 563 N ILE A 36 5.797 3.899 -2.290 1.00 0.00 N ATOM 564 CA ILE A 36 4.964 2.758 -1.927 1.00 0.00 C ATOM 565 C ILE A 36 5.493 1.458 -2.548 1.00 0.00 C ATOM 566 O ILE A 36 5.923 0.559 -1.827 1.00 0.00 O ATOM 567 CB ILE A 36 3.484 2.981 -2.324 1.00 0.00 C ATOM 568 CG1 ILE A 36 2.881 4.114 -1.489 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.674 1.703 -2.143 1.00 0.00 C ATOM 570 CD1 ILE A 36 3.523 5.461 -1.736 1.00 0.00 C ATOM 0 H ILE A 36 5.503 4.386 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 36 5.012 2.664 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 36 3.449 3.259 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.815 4.185 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.976 3.865 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.638 1.885 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.090 0.916 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.713 1.392 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.043 6.213 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.584 5.409 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.405 5.734 -2.785 1.00 0.00 H new ATOM 582 N PRO A 37 5.471 1.331 -3.894 1.00 0.00 N ATOM 583 CA PRO A 37 5.951 0.133 -4.585 1.00 0.00 C ATOM 584 C PRO A 37 7.208 -0.462 -3.946 1.00 0.00 C ATOM 585 O PRO A 37 7.256 -1.659 -3.661 1.00 0.00 O ATOM 586 CB PRO A 37 6.256 0.624 -6.010 1.00 0.00 C ATOM 587 CG PRO A 37 5.815 2.057 -6.074 1.00 0.00 C ATOM 588 CD PRO A 37 4.981 2.323 -4.853 1.00 0.00 C ATOM 0 HA PRO A 37 5.212 -0.667 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.320 0.536 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.726 0.022 -6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.677 2.723 -6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.239 2.242 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.117 3.340 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.918 2.197 -5.056 1.00 0.00 H new ATOM 596 N PRO A 38 8.247 0.365 -3.716 1.00 0.00 N ATOM 597 CA PRO A 38 9.503 -0.090 -3.114 1.00 0.00 C ATOM 598 C PRO A 38 9.296 -1.070 -1.957 1.00 0.00 C ATOM 599 O PRO A 38 8.198 -1.186 -1.415 1.00 0.00 O ATOM 600 CB PRO A 38 10.125 1.210 -2.610 1.00 0.00 C ATOM 601 CG PRO A 38 9.657 2.242 -3.578 1.00 0.00 C ATOM 602 CD PRO A 38 8.285 1.808 -4.032 1.00 0.00 C ATOM 0 HA PRO A 38 10.119 -0.640 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.799 1.440 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.213 1.148 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.618 3.225 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.340 2.319 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.500 2.353 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.141 1.988 -5.097 1.00 0.00 H new ATOM 610 N ASP A 39 10.369 -1.777 -1.590 1.00 0.00 N ATOM 611 CA ASP A 39 10.324 -2.757 -0.500 1.00 0.00 C ATOM 612 C ASP A 39 10.158 -2.112 0.885 1.00 0.00 C ATOM 613 O ASP A 39 10.154 -2.819 1.893 1.00 0.00 O ATOM 614 CB ASP A 39 11.588 -3.622 -0.513 1.00 0.00 C ATOM 615 CG ASP A 39 11.315 -5.051 -0.088 1.00 0.00 C ATOM 616 OD1 ASP A 39 10.794 -5.828 -0.915 1.00 0.00 O ATOM 617 OD2 ASP A 39 11.624 -5.395 1.073 1.00 0.00 O ATOM 0 H ASP A 39 11.283 -1.688 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 39 9.443 -3.374 -0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.016 -3.620 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.332 -3.184 0.153 1.00 0.00 H new ATOM 622 N GLN A 40 10.031 -0.784 0.951 1.00 0.00 N ATOM 623 CA GLN A 40 9.880 -0.107 2.236 1.00 0.00 C ATOM 624 C GLN A 40 8.408 0.019 2.637 1.00 0.00 C ATOM 625 O GLN A 40 8.098 0.177 3.817 1.00 0.00 O ATOM 626 CB GLN A 40 10.523 1.283 2.185 1.00 0.00 C ATOM 627 CG GLN A 40 11.944 1.276 1.644 1.00 0.00 C ATOM 628 CD GLN A 40 12.190 2.383 0.634 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.547 3.432 0.679 1.00 0.00 O ATOM 630 NE2 GLN A 40 13.127 2.158 -0.285 1.00 0.00 N ATOM 0 H GLN A 40 10.030 -0.166 0.140 1.00 0.00 H new ATOM 0 HA GLN A 40 10.386 -0.713 2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.910 1.935 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.527 1.710 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.645 1.383 2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.146 0.312 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.637 1.275 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.334 2.869 -0.986 1.00 0.00 H new ATOM 639 N GLN A 41 7.501 -0.058 1.661 1.00 0.00 N ATOM 640 CA GLN A 41 6.074 0.045 1.951 1.00 0.00 C ATOM 641 C GLN A 41 5.461 -1.340 2.157 1.00 0.00 C ATOM 642 O GLN A 41 5.333 -2.116 1.211 1.00 0.00 O ATOM 643 CB GLN A 41 5.345 0.773 0.821 1.00 0.00 C ATOM 644 CG GLN A 41 4.159 1.599 1.295 1.00 0.00 C ATOM 645 CD GLN A 41 4.531 3.043 1.582 1.00 0.00 C ATOM 646 OE1 GLN A 41 5.696 3.425 1.478 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.541 3.856 1.945 1.00 0.00 N ATOM 0 H GLN A 41 7.728 -0.190 0.675 1.00 0.00 H new ATOM 0 HA GLN A 41 5.960 0.619 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.050 1.426 0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.999 0.040 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.377 1.573 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.744 1.148 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.589 3.498 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.735 4.836 2.149 1.00 0.00 H new ATOM 656 N ARG A 42 5.085 -1.647 3.399 1.00 0.00 N ATOM 657 CA ARG A 42 4.490 -2.942 3.714 1.00 0.00 C ATOM 658 C ARG A 42 3.382 -2.797 4.756 1.00 0.00 C ATOM 659 O ARG A 42 3.319 -1.796 5.471 1.00 0.00 O ATOM 660 CB ARG A 42 5.562 -3.908 4.224 1.00 0.00 C ATOM 661 CG ARG A 42 6.500 -3.290 5.247 1.00 0.00 C ATOM 662 CD ARG A 42 7.320 -4.352 5.964 1.00 0.00 C ATOM 663 NE ARG A 42 8.404 -4.873 5.131 1.00 0.00 N ATOM 664 CZ ARG A 42 9.492 -5.470 5.618 1.00 0.00 C ATOM 665 NH1 ARG A 42 9.642 -5.628 6.927 1.00 0.00 N ATOM 666 NH2 ARG A 42 10.431 -5.913 4.793 1.00 0.00 N ATOM 0 H ARG A 42 5.182 -1.020 4.197 1.00 0.00 H new ATOM 0 HA ARG A 42 4.052 -3.343 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.075 -4.777 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.147 -4.268 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.168 -2.586 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.922 -2.722 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.738 -3.930 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.667 -5.172 6.262 1.00 0.00 H new ATOM 0 HE ARG A 42 8.323 -4.774 4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.922 -5.292 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.477 -6.086 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.321 -5.797 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.263 -6.370 5.166 1.00 0.00 H new ATOM 680 N LEU A 43 2.510 -3.801 4.841 1.00 0.00 N ATOM 681 CA LEU A 43 1.411 -3.778 5.799 1.00 0.00 C ATOM 682 C LEU A 43 1.657 -4.772 6.931 1.00 0.00 C ATOM 683 O LEU A 43 2.457 -5.698 6.792 1.00 0.00 O ATOM 684 CB LEU A 43 0.088 -4.100 5.099 1.00 0.00 C ATOM 685 CG LEU A 43 0.029 -5.472 4.425 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.337 -6.110 4.628 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.349 -5.352 2.942 1.00 0.00 C ATOM 0 H LEU A 43 2.545 -4.638 4.259 1.00 0.00 H new ATOM 0 HA LEU A 43 1.353 -2.776 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.717 -4.037 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.103 -3.334 4.347 1.00 0.00 H new ATOM 0 HG LEU A 43 0.778 -6.114 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.359 -7.085 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.527 -6.232 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.105 -5.470 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.302 -6.338 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.376 -4.692 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.350 -4.940 2.818 1.00 0.00 H new ATOM 699 N ILE A 44 0.966 -4.578 8.054 1.00 0.00 N ATOM 700 CA ILE A 44 1.118 -5.463 9.204 1.00 0.00 C ATOM 701 C ILE A 44 -0.144 -6.294 9.431 1.00 0.00 C ATOM 702 O ILE A 44 -0.865 -6.088 10.407 1.00 0.00 O ATOM 703 CB ILE A 44 1.437 -4.668 10.485 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.576 -3.679 10.229 1.00 0.00 C ATOM 705 CG2 ILE A 44 1.795 -5.615 11.621 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.891 -4.346 9.890 1.00 0.00 C ATOM 0 H ILE A 44 0.299 -3.819 8.190 1.00 0.00 H new ATOM 0 HA ILE A 44 1.951 -6.130 8.983 1.00 0.00 H new ATOM 0 HB ILE A 44 0.550 -4.104 10.774 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.293 -3.015 9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.711 -3.056 11.113 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.018 -5.038 12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.955 -6.282 11.817 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.669 -6.204 11.342 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.652 -3.584 9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.197 -4.988 10.716 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.772 -4.947 8.988 1.00 0.00 H new ATOM 718 N PHE A 45 -0.407 -7.236 8.526 1.00 0.00 N ATOM 719 CA PHE A 45 -1.585 -8.091 8.639 1.00 0.00 C ATOM 720 C PHE A 45 -1.340 -9.457 7.996 1.00 0.00 C ATOM 721 O PHE A 45 -1.023 -9.546 6.810 1.00 0.00 O ATOM 722 CB PHE A 45 -2.796 -7.418 7.988 1.00 0.00 C ATOM 723 CG PHE A 45 -4.060 -7.566 8.786 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.223 -6.885 9.981 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.085 -8.385 8.340 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.383 -7.019 10.719 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.249 -8.522 9.073 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.399 -7.839 10.263 1.00 0.00 C ATOM 0 H PHE A 45 0.177 -7.425 7.711 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.787 -8.243 9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.583 -6.358 7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.949 -7.843 6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.434 -6.241 10.340 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.973 -8.922 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.496 -6.484 11.650 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.041 -9.163 8.715 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.308 -7.945 10.837 1.00 0.00 H new ATOM 738 N ALA A 46 -1.489 -10.521 8.785 1.00 0.00 N ATOM 739 CA ALA A 46 -1.285 -11.876 8.288 1.00 0.00 C ATOM 740 C ALA A 46 0.111 -12.050 7.688 1.00 0.00 C ATOM 741 O ALA A 46 0.295 -12.827 6.751 1.00 0.00 O ATOM 742 CB ALA A 46 -2.349 -12.223 7.257 1.00 0.00 C ATOM 0 H ALA A 46 -1.750 -10.468 9.770 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.370 -12.558 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.186 -13.237 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.336 -12.156 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.289 -11.524 6.423 1.00 0.00 H new ATOM 748 N GLY A 47 1.095 -11.328 8.230 1.00 0.00 N ATOM 749 CA GLY A 47 2.457 -11.429 7.729 1.00 0.00 C ATOM 750 C GLY A 47 2.536 -11.383 6.211 1.00 0.00 C ATOM 751 O GLY A 47 3.349 -12.084 5.609 1.00 0.00 O ATOM 0 H GLY A 47 0.972 -10.677 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.052 -10.615 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.900 -12.360 8.082 1.00 0.00 H new ATOM 755 N LYS A 48 1.692 -10.560 5.589 1.00 0.00 N ATOM 756 CA LYS A 48 1.682 -10.438 4.135 1.00 0.00 C ATOM 757 C LYS A 48 2.222 -9.080 3.695 1.00 0.00 C ATOM 758 O LYS A 48 1.849 -8.046 4.251 1.00 0.00 O ATOM 759 CB LYS A 48 0.264 -10.635 3.596 1.00 0.00 C ATOM 760 CG LYS A 48 0.222 -11.270 2.214 1.00 0.00 C ATOM 761 CD LYS A 48 0.748 -12.696 2.241 1.00 0.00 C ATOM 762 CE LYS A 48 2.191 -12.766 1.768 1.00 0.00 C ATOM 763 NZ LYS A 48 2.444 -13.976 0.937 1.00 0.00 N ATOM 0 H LYS A 48 1.010 -9.971 6.068 1.00 0.00 H new ATOM 0 HA LYS A 48 2.330 -11.214 3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.297 -11.260 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.239 -9.669 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.802 -11.266 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.816 -10.675 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.676 -13.092 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.125 -13.327 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.428 -11.873 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.856 -12.773 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.079 -13.731 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.886 -14.713 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.543 -14.330 0.556 1.00 0.00 H new ATOM 777 N GLN A 49 3.102 -9.085 2.694 1.00 0.00 N ATOM 778 CA GLN A 49 3.685 -7.847 2.187 1.00 0.00 C ATOM 779 C GLN A 49 2.822 -7.256 1.074 1.00 0.00 C ATOM 780 O GLN A 49 1.981 -7.945 0.498 1.00 0.00 O ATOM 781 CB GLN A 49 5.105 -8.095 1.671 1.00 0.00 C ATOM 782 CG GLN A 49 6.180 -7.895 2.728 1.00 0.00 C ATOM 783 CD GLN A 49 7.518 -8.482 2.318 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.675 -8.969 1.197 1.00 0.00 O ATOM 785 NE2 GLN A 49 8.495 -8.439 3.222 1.00 0.00 N ATOM 0 H GLN A 49 3.424 -9.929 2.221 1.00 0.00 H new ATOM 0 HA GLN A 49 3.727 -7.133 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.170 -9.113 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.301 -7.425 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.299 -6.829 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.856 -8.355 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.323 -8.027 4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.415 -8.818 2.997 1.00 0.00 H new ATOM 794 N LEU A 50 3.036 -5.975 0.774 1.00 0.00 N ATOM 795 CA LEU A 50 2.273 -5.302 -0.275 1.00 0.00 C ATOM 796 C LEU A 50 2.803 -5.650 -1.670 1.00 0.00 C ATOM 797 O LEU A 50 2.143 -5.375 -2.673 1.00 0.00 O ATOM 798 CB LEU A 50 2.302 -3.783 -0.069 1.00 0.00 C ATOM 799 CG LEU A 50 0.928 -3.107 -0.034 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.760 -2.296 1.242 1.00 0.00 C ATOM 801 CD2 LEU A 50 0.735 -2.223 -1.257 1.00 0.00 C ATOM 0 H LEU A 50 3.727 -5.386 1.239 1.00 0.00 H new ATOM 0 HA LEU A 50 1.244 -5.654 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.819 -3.568 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.890 -3.334 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 50 0.165 -3.885 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.223 -1.824 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.851 -2.954 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.532 -1.528 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.247 -1.752 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.507 -1.453 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.807 -2.830 -2.160 1.00 0.00 H new ATOM 813 N GLU A 51 3.992 -6.255 -1.737 1.00 0.00 N ATOM 814 CA GLU A 51 4.583 -6.626 -3.021 1.00 0.00 C ATOM 815 C GLU A 51 3.958 -7.911 -3.565 1.00 0.00 C ATOM 816 O GLU A 51 3.735 -8.037 -4.769 1.00 0.00 O ATOM 817 CB GLU A 51 6.099 -6.803 -2.883 1.00 0.00 C ATOM 818 CG GLU A 51 6.874 -6.388 -4.123 1.00 0.00 C ATOM 819 CD GLU A 51 6.860 -4.888 -4.345 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.717 -4.193 -3.759 1.00 0.00 O ATOM 821 OE2 GLU A 51 5.991 -4.409 -5.104 1.00 0.00 O ATOM 0 H GLU A 51 4.558 -6.496 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 51 4.381 -5.819 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.449 -6.218 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.316 -7.848 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.906 -6.729 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.449 -6.885 -4.995 1.00 0.00 H new ATOM 828 N ASP A 52 3.671 -8.865 -2.673 1.00 0.00 N ATOM 829 CA ASP A 52 3.068 -10.125 -3.066 1.00 0.00 C ATOM 830 C ASP A 52 1.884 -9.876 -3.979 1.00 0.00 C ATOM 831 O ASP A 52 0.910 -9.237 -3.583 1.00 0.00 O ATOM 832 CB ASP A 52 2.618 -10.921 -1.836 1.00 0.00 C ATOM 833 CG ASP A 52 3.785 -11.362 -0.975 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.256 -10.548 -0.152 1.00 0.00 O ATOM 835 OD2 ASP A 52 4.229 -12.520 -1.122 1.00 0.00 O ATOM 0 H ASP A 52 3.851 -8.780 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 52 3.817 -10.708 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.940 -10.311 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.057 -11.798 -2.159 1.00 0.00 H new ATOM 840 N GLY A 53 1.971 -10.373 -5.200 1.00 0.00 N ATOM 841 CA GLY A 53 0.892 -10.187 -6.151 1.00 0.00 C ATOM 842 C GLY A 53 -0.366 -10.951 -5.767 1.00 0.00 C ATOM 843 O GLY A 53 -0.891 -11.726 -6.566 1.00 0.00 O ATOM 0 H GLY A 53 2.768 -10.902 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.659 -9.125 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.223 -10.512 -7.138 1.00 0.00 H new ATOM 847 N ARG A 54 -0.857 -10.735 -4.544 1.00 0.00 N ATOM 848 CA ARG A 54 -2.061 -11.414 -4.077 1.00 0.00 C ATOM 849 C ARG A 54 -3.242 -10.446 -4.023 1.00 0.00 C ATOM 850 O ARG A 54 -3.078 -9.245 -4.241 1.00 0.00 O ATOM 851 CB ARG A 54 -1.822 -12.026 -2.695 1.00 0.00 C ATOM 852 CG ARG A 54 -2.533 -13.355 -2.489 1.00 0.00 C ATOM 853 CD ARG A 54 -1.556 -14.465 -2.131 1.00 0.00 C ATOM 854 NE ARG A 54 -2.084 -15.344 -1.090 1.00 0.00 N ATOM 855 CZ ARG A 54 -3.107 -16.178 -1.274 1.00 0.00 C ATOM 856 NH1 ARG A 54 -3.712 -16.248 -2.454 1.00 0.00 N ATOM 857 NH2 ARG A 54 -3.527 -16.944 -0.275 1.00 0.00 N ATOM 0 H ARG A 54 -0.440 -10.098 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.299 -12.211 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.751 -12.169 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.155 -11.322 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.274 -13.252 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.073 -13.624 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.332 -15.052 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.617 -14.027 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.644 -15.318 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.394 -15.661 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.494 -16.888 -2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.067 -16.894 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.310 -17.582 -0.416 1.00 0.00 H new ATOM 871 N THR A 55 -4.432 -10.970 -3.733 1.00 0.00 N ATOM 872 CA THR A 55 -5.627 -10.141 -3.653 1.00 0.00 C ATOM 873 C THR A 55 -5.958 -9.804 -2.201 1.00 0.00 C ATOM 874 O THR A 55 -5.885 -10.667 -1.325 1.00 0.00 O ATOM 875 CB THR A 55 -6.814 -10.851 -4.306 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.511 -11.208 -5.642 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.074 -10.014 -4.327 1.00 0.00 C ATOM 0 H THR A 55 -4.591 -11.961 -3.551 1.00 0.00 H new ATOM 0 HA THR A 55 -5.430 -9.213 -4.189 1.00 0.00 H new ATOM 0 HB THR A 55 -6.995 -11.734 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.282 -11.662 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.877 -10.577 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.362 -9.765 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.892 -9.097 -4.887 1.00 0.00 H new ATOM 885 N LEU A 56 -6.322 -8.548 -1.950 1.00 0.00 N ATOM 886 CA LEU A 56 -6.664 -8.108 -0.597 1.00 0.00 C ATOM 887 C LEU A 56 -7.716 -9.026 0.026 1.00 0.00 C ATOM 888 O LEU A 56 -7.630 -9.370 1.205 1.00 0.00 O ATOM 889 CB LEU A 56 -7.177 -6.664 -0.616 1.00 0.00 C ATOM 890 CG LEU A 56 -6.118 -5.606 -0.932 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.777 -4.295 -1.329 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.197 -5.402 0.262 1.00 0.00 C ATOM 0 H LEU A 56 -6.388 -7.820 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.760 -8.155 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.976 -6.588 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.617 -6.438 0.355 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.519 -5.957 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.009 -3.554 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.395 -4.452 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.400 -3.938 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.450 -4.646 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.782 -5.072 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.699 -6.341 0.502 1.00 0.00 H new ATOM 904 N SER A 57 -8.709 -9.419 -0.771 1.00 0.00 N ATOM 905 CA SER A 57 -9.774 -10.296 -0.288 1.00 0.00 C ATOM 906 C SER A 57 -9.214 -11.628 0.223 1.00 0.00 C ATOM 907 O SER A 57 -9.800 -12.248 1.110 1.00 0.00 O ATOM 908 CB SER A 57 -10.801 -10.554 -1.395 1.00 0.00 C ATOM 909 OG SER A 57 -11.596 -11.692 -1.102 1.00 0.00 O ATOM 0 H SER A 57 -8.798 -9.145 -1.750 1.00 0.00 H new ATOM 0 HA SER A 57 -10.264 -9.790 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.442 -9.680 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.287 -10.701 -2.345 1.00 0.00 H new ATOM 0 HG SER A 57 -12.244 -11.833 -1.824 1.00 0.00 H new ATOM 915 N ASP A 58 -8.086 -12.072 -0.340 1.00 0.00 N ATOM 916 CA ASP A 58 -7.479 -13.336 0.075 1.00 0.00 C ATOM 917 C ASP A 58 -7.253 -13.376 1.587 1.00 0.00 C ATOM 918 O ASP A 58 -7.473 -14.407 2.225 1.00 0.00 O ATOM 919 CB ASP A 58 -6.149 -13.565 -0.651 1.00 0.00 C ATOM 920 CG ASP A 58 -6.300 -13.533 -2.159 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.424 -13.770 -2.649 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.293 -13.272 -2.851 1.00 0.00 O ATOM 0 H ASP A 58 -7.581 -11.579 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.173 -14.132 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.435 -12.801 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.735 -14.528 -0.350 1.00 0.00 H new ATOM 927 N TYR A 59 -6.813 -12.256 2.161 1.00 0.00 N ATOM 928 CA TYR A 59 -6.564 -12.186 3.597 1.00 0.00 C ATOM 929 C TYR A 59 -7.668 -11.410 4.317 1.00 0.00 C ATOM 930 O TYR A 59 -7.403 -10.685 5.276 1.00 0.00 O ATOM 931 CB TYR A 59 -5.207 -11.534 3.869 1.00 0.00 C ATOM 932 CG TYR A 59 -4.032 -12.446 3.597 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.580 -13.334 4.565 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.377 -12.420 2.372 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.506 -14.170 4.319 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.303 -13.252 2.120 1.00 0.00 C ATOM 937 CZ TYR A 59 -1.872 -14.126 3.097 1.00 0.00 C ATOM 938 OH TYR A 59 -0.803 -14.955 2.849 1.00 0.00 O ATOM 0 H TYR A 59 -6.623 -11.391 1.655 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.558 -13.205 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.113 -10.640 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.171 -11.209 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.075 -13.372 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.713 -11.739 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.166 -14.855 5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.803 -13.218 1.163 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.941 -15.420 1.998 1.00 0.00 H new ATOM 948 N ASN A 60 -8.909 -11.564 3.852 1.00 0.00 N ATOM 949 CA ASN A 60 -10.046 -10.879 4.458 1.00 0.00 C ATOM 950 C ASN A 60 -9.838 -9.361 4.507 1.00 0.00 C ATOM 951 O ASN A 60 -10.420 -8.682 5.352 1.00 0.00 O ATOM 952 CB ASN A 60 -10.289 -11.412 5.872 1.00 0.00 C ATOM 953 CG ASN A 60 -11.766 -11.524 6.204 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.596 -10.824 5.624 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.106 -12.406 7.142 1.00 0.00 N ATOM 0 H ASN A 60 -9.150 -12.157 3.058 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.918 -11.078 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.822 -12.392 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.806 -10.753 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.085 -12.520 7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.387 -12.967 7.599 1.00 0.00 H new ATOM 962 N ILE A 61 -9.018 -8.827 3.600 1.00 0.00 N ATOM 963 CA ILE A 61 -8.763 -7.391 3.560 1.00 0.00 C ATOM 964 C ILE A 61 -9.768 -6.682 2.653 1.00 0.00 C ATOM 965 O ILE A 61 -9.395 -6.089 1.641 1.00 0.00 O ATOM 966 CB ILE A 61 -7.332 -7.081 3.078 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.314 -7.901 3.872 1.00 0.00 C ATOM 968 CG2 ILE A 61 -7.038 -5.594 3.207 1.00 0.00 C ATOM 969 CD1 ILE A 61 -4.884 -7.684 3.431 1.00 0.00 C ATOM 0 H ILE A 61 -8.523 -9.365 2.889 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.874 -7.021 4.579 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.252 -7.357 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.402 -7.648 4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.558 -8.959 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.024 -5.392 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.746 -5.029 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.133 -5.293 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.219 -8.298 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.780 -7.964 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.621 -6.633 3.553 1.00 0.00 H new ATOM 981 N GLN A 62 -11.049 -6.750 3.016 1.00 0.00 N ATOM 982 CA GLN A 62 -12.101 -6.118 2.227 1.00 0.00 C ATOM 983 C GLN A 62 -12.552 -4.804 2.866 1.00 0.00 C ATOM 984 O GLN A 62 -11.972 -4.358 3.857 1.00 0.00 O ATOM 985 CB GLN A 62 -13.289 -7.072 2.075 1.00 0.00 C ATOM 986 CG GLN A 62 -14.050 -7.314 3.370 1.00 0.00 C ATOM 987 CD GLN A 62 -14.482 -8.761 3.531 1.00 0.00 C ATOM 988 OE1 GLN A 62 -13.521 -9.682 3.494 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 -15.668 -9.049 3.688 1.00 0.00 N flip ATOM 0 H GLN A 62 -11.380 -7.236 3.850 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.699 -5.892 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.975 -6.667 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.930 -8.027 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.422 -7.030 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.930 -6.671 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.373 -8.312 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.946 -10.024 3.796 1.00 0.00 H new ATOM 998 N LYS A 63 -13.588 -4.183 2.293 1.00 0.00 N ATOM 999 CA LYS A 63 -14.110 -2.916 2.808 1.00 0.00 C ATOM 1000 C LYS A 63 -14.235 -2.941 4.332 1.00 0.00 C ATOM 1001 O LYS A 63 -14.560 -3.971 4.921 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.474 -2.605 2.185 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.383 -1.975 0.804 1.00 0.00 C ATOM 1004 CD LYS A 63 -15.424 -3.027 -0.295 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.502 -2.722 -1.323 1.00 0.00 C ATOM 1006 NZ LYS A 63 -16.042 -3.003 -2.710 1.00 0.00 N ATOM 0 H LYS A 63 -14.080 -4.538 1.473 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.401 -2.135 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.052 -3.527 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.022 -1.933 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.206 -1.274 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.460 -1.401 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.453 -3.076 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.608 -4.007 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.389 -3.318 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.794 -1.675 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.806 -2.782 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.211 -2.416 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.787 -4.008 -2.794 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.969 -1.797 4.964 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.046 -1.682 6.418 1.00 0.00 C ATOM 1022 C GLU A 64 -12.996 -2.556 7.111 1.00 0.00 C ATOM 1023 O GLU A 64 -13.123 -2.859 8.297 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.446 -2.064 6.907 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.380 -0.875 7.066 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.377 -0.316 8.476 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.101 -0.863 9.333 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -15.649 0.669 8.722 1.00 0.00 O ATOM 0 H GLU A 64 -13.698 -0.936 4.489 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.842 -0.643 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.887 -2.771 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.360 -2.578 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.087 -0.091 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.393 -1.176 6.800 1.00 0.00 H new ATOM 1035 N SER A 65 -11.955 -2.956 6.377 1.00 0.00 N ATOM 1036 CA SER A 65 -10.898 -3.784 6.949 1.00 0.00 C ATOM 1037 C SER A 65 -9.973 -2.951 7.834 1.00 0.00 C ATOM 1038 O SER A 65 -10.050 -1.722 7.840 1.00 0.00 O ATOM 1039 CB SER A 65 -10.086 -4.467 5.843 1.00 0.00 C ATOM 1040 OG SER A 65 -9.769 -3.554 4.806 1.00 0.00 O ATOM 0 H SER A 65 -11.824 -2.721 5.393 1.00 0.00 H new ATOM 0 HA SER A 65 -11.371 -4.551 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.168 -4.879 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.653 -5.304 5.435 1.00 0.00 H new ATOM 0 HG SER A 65 -10.350 -3.721 4.034 1.00 0.00 H new ATOM 1046 N THR A 66 -9.093 -3.624 8.573 1.00 0.00 N ATOM 1047 CA THR A 66 -8.152 -2.937 9.448 1.00 0.00 C ATOM 1048 C THR A 66 -6.742 -2.995 8.865 1.00 0.00 C ATOM 1049 O THR A 66 -5.948 -3.865 9.226 1.00 0.00 O ATOM 1050 CB THR A 66 -8.168 -3.561 10.845 1.00 0.00 C ATOM 1051 OG1 THR A 66 -7.241 -2.910 11.695 1.00 0.00 O ATOM 1052 CG2 THR A 66 -7.834 -5.037 10.845 1.00 0.00 C ATOM 0 H THR A 66 -9.014 -4.641 8.582 1.00 0.00 H new ATOM 0 HA THR A 66 -8.456 -1.893 9.527 1.00 0.00 H new ATOM 0 HB THR A 66 -9.189 -3.437 11.206 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.267 -3.322 12.584 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.863 -5.417 11.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.562 -5.575 10.237 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.836 -5.184 10.431 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.436 -2.072 7.953 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.122 -2.035 7.321 1.00 0.00 C ATOM 1062 C LEU A 67 -4.218 -0.996 7.980 1.00 0.00 C ATOM 1063 O LEU A 67 -4.375 0.204 7.761 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.261 -1.732 5.827 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.446 -2.959 4.933 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.857 -2.539 3.530 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.169 -3.784 4.890 1.00 0.00 C ATOM 0 H LEU A 67 -7.078 -1.345 7.638 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.663 -3.015 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.112 -1.066 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.374 -1.191 5.497 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.240 -3.576 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.984 -3.425 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.797 -1.989 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.085 -1.901 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.319 -4.653 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.356 -3.176 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.916 -4.115 5.897 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.264 -1.466 8.784 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.333 -0.575 9.465 1.00 0.00 C ATOM 1081 C HIS A 68 -0.945 -0.661 8.832 1.00 0.00 C ATOM 1082 O HIS A 68 -0.192 -1.598 9.096 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.254 -0.924 10.954 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.563 0.229 11.856 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.613 0.840 12.648 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -3.724 0.887 12.089 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -2.178 1.821 13.330 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -3.456 1.871 13.008 1.00 0.00 N ATOM 0 H HIS A 68 -3.118 -2.457 8.977 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.699 0.446 9.361 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.949 -1.737 11.166 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.254 -1.293 11.180 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.682 0.677 11.636 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.678 2.472 14.032 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.135 2.534 13.381 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.611 0.319 7.993 1.00 0.00 N ATOM 1098 CA LEU A 69 0.688 0.340 7.326 1.00 0.00 C ATOM 1099 C LEU A 69 1.695 1.174 8.114 1.00 0.00 C ATOM 1100 O LEU A 69 1.317 1.962 8.981 1.00 0.00 O ATOM 1101 CB LEU A 69 0.550 0.894 5.907 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.237 0.009 4.939 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.720 0.043 5.273 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -0.003 0.452 3.503 1.00 0.00 C ATOM 0 H LEU A 69 -1.219 1.104 7.761 1.00 0.00 H new ATOM 0 HA LEU A 69 1.055 -0.685 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.065 1.869 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.547 1.056 5.498 1.00 0.00 H new ATOM 0 HG LEU A 69 0.116 -1.017 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.265 -0.592 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.873 -0.321 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.087 1.066 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.570 -0.188 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.329 1.485 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.059 0.377 3.268 1.00 0.00 H new ATOM 1116 N VAL A 70 2.980 0.996 7.810 1.00 0.00 N ATOM 1117 CA VAL A 70 4.034 1.736 8.492 1.00 0.00 C ATOM 1118 C VAL A 70 4.581 2.853 7.607 1.00 0.00 C ATOM 1119 O VAL A 70 5.066 2.600 6.504 1.00 0.00 O ATOM 1120 CB VAL A 70 5.194 0.808 8.905 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.188 1.554 9.782 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.662 -0.426 9.618 1.00 0.00 C ATOM 0 H VAL A 70 3.313 0.347 7.097 1.00 0.00 H new ATOM 0 HA VAL A 70 3.589 2.170 9.388 1.00 0.00 H new ATOM 0 HB VAL A 70 5.714 0.482 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.000 0.883 10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.593 2.403 9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.684 1.911 10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.495 -1.069 9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.116 -0.123 10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.993 -0.971 8.952 1.00 0.00 H new ATOM 1132 N LEU A 71 4.495 4.092 8.091 1.00 0.00 N ATOM 1133 CA LEU A 71 4.978 5.240 7.324 1.00 0.00 C ATOM 1134 C LEU A 71 6.509 5.336 7.365 1.00 0.00 C ATOM 1135 O LEU A 71 7.107 5.571 8.412 1.00 0.00 O ATOM 1136 CB LEU A 71 4.317 6.545 7.813 1.00 0.00 C ATOM 1137 CG LEU A 71 4.911 7.213 9.066 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.185 6.201 10.171 1.00 0.00 C ATOM 1139 CD2 LEU A 71 6.173 7.990 8.715 1.00 0.00 C ATOM 0 H LEU A 71 4.099 4.325 9.002 1.00 0.00 H new ATOM 0 HA LEU A 71 4.691 5.092 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.353 7.267 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.265 6.337 8.009 1.00 0.00 H new ATOM 0 HG LEU A 71 4.169 7.914 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.604 6.713 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.254 5.710 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.894 5.455 9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.577 8.454 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.914 7.310 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.933 8.763 7.984 1.00 0.00 H new