USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 1 MET CE :methyl 170:sc= 0 (180deg=-0.0661) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.449 (180deg=-0.835) USER MOD Single : A 2 GLN : amide:sc= -0.433 K(o=-0.43,f=-4.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 -119:sc= 0.729 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.9!) USER MOD Single : A 41 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 173:sc= -1.46 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -49:sc= -1.12 USER MOD Single : A 60 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= 0.858 K(o=0.86,f=-0.0099) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 34:sc= 0.0123 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.690 -5.654 4.762 1.00 0.00 N ATOM 2 CA MET A 1 -12.731 -5.010 6.063 1.00 0.00 C ATOM 3 C MET A 1 -11.943 -3.698 6.051 1.00 0.00 C ATOM 4 O MET A 1 -11.506 -3.242 4.996 1.00 0.00 O ATOM 5 CB MET A 1 -12.140 -5.950 7.117 1.00 0.00 C ATOM 6 CG MET A 1 -10.684 -6.290 6.794 1.00 0.00 C ATOM 7 SD MET A 1 -10.043 -7.434 8.004 1.00 0.00 S ATOM 8 CE MET A 1 -10.706 -8.964 7.367 1.00 0.00 C ATOM 0 H1 MET A 1 -13.082 -6.614 4.837 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.253 -5.102 4.084 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.705 -5.708 4.432 1.00 0.00 H new ATOM 0 HA MET A 1 -13.770 -4.786 6.304 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.199 -5.483 8.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.729 -6.866 7.164 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.616 -6.726 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.083 -5.381 6.786 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.259 -9.804 7.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.787 -8.979 7.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.478 -9.045 6.304 1.00 0.00 H new ATOM 18 N GLN A 2 -11.786 -3.128 7.237 1.00 0.00 N ATOM 19 CA GLN A 2 -11.060 -1.878 7.377 1.00 0.00 C ATOM 20 C GLN A 2 -9.561 -2.149 7.530 1.00 0.00 C ATOM 21 O GLN A 2 -9.166 -3.194 8.046 1.00 0.00 O ATOM 22 CB GLN A 2 -11.592 -1.062 8.555 1.00 0.00 C ATOM 23 CG GLN A 2 -10.780 0.220 8.746 1.00 0.00 C ATOM 24 CD GLN A 2 -11.345 1.062 9.893 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.922 0.968 11.034 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.322 1.887 9.528 1.00 0.00 N ATOM 0 H GLN A 2 -12.150 -3.510 8.110 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.213 -1.289 6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.639 -0.811 8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.551 -1.661 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.740 -0.032 8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.790 0.802 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.628 1.916 8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.765 2.491 10.221 1.00 0.00 H new ATOM 35 N ILE A 3 -8.769 -1.191 7.073 1.00 0.00 N ATOM 36 CA ILE A 3 -7.323 -1.314 7.154 1.00 0.00 C ATOM 37 C ILE A 3 -6.715 0.059 7.447 1.00 0.00 C ATOM 38 O ILE A 3 -7.361 1.085 7.243 1.00 0.00 O ATOM 39 CB ILE A 3 -6.771 -1.973 5.888 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.982 -1.078 4.666 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.370 -3.366 5.690 1.00 0.00 C ATOM 42 CD1 ILE A 3 -8.347 -1.338 4.025 1.00 0.00 C ATOM 0 H ILE A 3 -9.100 -0.326 6.645 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.041 -1.970 7.977 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.695 -2.100 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.908 -0.031 4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.193 -1.261 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.961 -3.812 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.123 -3.993 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.453 -3.287 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.472 -0.689 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.408 -2.380 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.135 -1.131 4.750 1.00 0.00 H new ATOM 54 N PHE A 4 -5.479 0.034 7.922 1.00 0.00 N ATOM 55 CA PHE A 4 -4.776 1.263 8.246 1.00 0.00 C ATOM 56 C PHE A 4 -3.510 1.411 7.400 1.00 0.00 C ATOM 57 O PHE A 4 -2.477 0.823 7.712 1.00 0.00 O ATOM 58 CB PHE A 4 -4.380 1.178 9.722 1.00 0.00 C ATOM 59 CG PHE A 4 -5.466 1.659 10.687 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.662 1.012 10.741 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.236 2.732 11.489 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.669 1.458 11.637 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.245 3.178 12.385 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.440 2.532 12.440 1.00 0.00 C ATOM 0 H PHE A 4 -4.946 -0.819 8.090 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.418 2.121 8.045 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.128 0.145 9.961 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.479 1.771 9.881 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.845 0.160 10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.287 3.245 11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.618 0.944 11.681 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.062 4.030 13.022 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.207 2.871 13.121 1.00 0.00 H new ATOM 74 N VAL A 5 -3.633 2.202 6.343 1.00 0.00 N ATOM 75 CA VAL A 5 -2.512 2.435 5.448 1.00 0.00 C ATOM 76 C VAL A 5 -1.665 3.590 5.988 1.00 0.00 C ATOM 77 O VAL A 5 -2.204 4.601 6.437 1.00 0.00 O ATOM 78 CB VAL A 5 -3.019 2.679 4.026 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.475 4.129 3.847 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.954 2.308 2.992 1.00 0.00 C ATOM 0 H VAL A 5 -4.492 2.689 6.087 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.870 1.555 5.403 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.882 2.034 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.831 4.275 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.282 4.346 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.638 4.800 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.341 2.491 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.063 2.915 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.698 1.253 3.095 1.00 0.00 H new ATOM 90 N LYS A 6 -0.355 3.401 5.926 1.00 0.00 N ATOM 91 CA LYS A 6 0.570 4.415 6.403 1.00 0.00 C ATOM 92 C LYS A 6 1.240 5.090 5.205 1.00 0.00 C ATOM 93 O LYS A 6 1.499 4.447 4.189 1.00 0.00 O ATOM 94 CB LYS A 6 1.559 3.810 7.401 1.00 0.00 C ATOM 95 CG LYS A 6 1.080 4.011 8.840 1.00 0.00 C ATOM 96 CD LYS A 6 2.043 3.362 9.835 1.00 0.00 C ATOM 97 CE LYS A 6 1.402 3.242 11.220 1.00 0.00 C ATOM 98 NZ LYS A 6 1.728 1.933 11.829 1.00 0.00 N ATOM 0 H LYS A 6 0.088 2.561 5.553 1.00 0.00 H new ATOM 0 HA LYS A 6 0.036 5.192 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.679 2.746 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.538 4.271 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.995 5.077 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.085 3.582 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.330 2.374 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.955 3.954 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.757 4.048 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.321 3.353 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.286 1.867 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.368 1.169 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.760 1.842 11.925 1.00 0.00 H new ATOM 112 N THR A 7 1.502 6.380 5.364 1.00 0.00 N ATOM 113 CA THR A 7 2.137 7.150 4.309 1.00 0.00 C ATOM 114 C THR A 7 3.632 7.310 4.591 1.00 0.00 C ATOM 115 O THR A 7 4.101 6.982 5.680 1.00 0.00 O ATOM 116 CB THR A 7 1.396 8.483 4.185 1.00 0.00 C ATOM 117 OG1 THR A 7 0.019 8.117 4.207 1.00 0.00 O ATOM 118 CG2 THR A 7 1.586 9.133 2.812 1.00 0.00 C ATOM 0 H THR A 7 1.286 6.910 6.208 1.00 0.00 H new ATOM 0 HA THR A 7 2.073 6.635 3.350 1.00 0.00 H new ATOM 0 HB THR A 7 1.743 9.165 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.535 8.922 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.040 10.076 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.646 9.321 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.208 8.465 2.038 1.00 0.00 H new ATOM 126 N LEU A 8 4.341 7.814 3.590 1.00 0.00 N ATOM 127 CA LEU A 8 5.773 8.022 3.717 1.00 0.00 C ATOM 128 C LEU A 8 6.038 9.067 4.802 1.00 0.00 C ATOM 129 O LEU A 8 7.174 9.233 5.245 1.00 0.00 O ATOM 130 CB LEU A 8 6.386 8.374 2.360 1.00 0.00 C ATOM 131 CG LEU A 8 7.885 8.111 2.213 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.163 6.620 2.005 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.485 8.967 1.095 1.00 0.00 C ATOM 0 H LEU A 8 3.949 8.084 2.688 1.00 0.00 H new ATOM 0 HA LEU A 8 6.265 7.102 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.861 7.810 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.202 9.430 2.163 1.00 0.00 H new ATOM 0 HG LEU A 8 8.375 8.404 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.237 6.461 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.792 6.058 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.658 6.278 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.552 8.761 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.994 8.729 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.336 10.022 1.325 1.00 0.00 H new ATOM 145 N THR A 9 4.971 9.746 5.199 1.00 0.00 N ATOM 146 CA THR A 9 5.075 10.770 6.224 1.00 0.00 C ATOM 147 C THR A 9 4.605 10.224 7.573 1.00 0.00 C ATOM 148 O THR A 9 4.114 10.977 8.413 1.00 0.00 O ATOM 149 CB THR A 9 4.283 11.992 5.752 1.00 0.00 C ATOM 150 OG1 THR A 9 5.029 12.483 4.642 1.00 0.00 O ATOM 151 CG2 THR A 9 4.320 13.139 6.763 1.00 0.00 C ATOM 0 H THR A 9 4.031 9.607 4.829 1.00 0.00 H new ATOM 0 HA THR A 9 6.110 11.075 6.376 1.00 0.00 H new ATOM 0 HB THR A 9 3.248 11.704 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.585 13.275 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.743 13.981 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.891 12.805 7.708 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.352 13.450 6.923 1.00 0.00 H new ATOM 159 N GLY A 10 4.770 8.921 7.739 1.00 0.00 N ATOM 160 CA GLY A 10 4.369 8.266 8.972 1.00 0.00 C ATOM 161 C GLY A 10 2.935 8.645 9.353 1.00 0.00 C ATOM 162 O GLY A 10 2.557 8.560 10.520 1.00 0.00 O ATOM 0 H GLY A 10 5.176 8.300 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.444 7.185 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.049 8.548 9.776 1.00 0.00 H new ATOM 166 N LYS A 11 2.178 9.055 8.345 1.00 0.00 N ATOM 167 CA LYS A 11 0.796 9.446 8.560 1.00 0.00 C ATOM 168 C LYS A 11 -0.089 8.198 8.568 1.00 0.00 C ATOM 169 O LYS A 11 0.180 7.238 7.846 1.00 0.00 O ATOM 170 CB LYS A 11 0.371 10.494 7.530 1.00 0.00 C ATOM 171 CG LYS A 11 -1.047 10.996 7.811 1.00 0.00 C ATOM 172 CD LYS A 11 -1.051 12.500 8.093 1.00 0.00 C ATOM 173 CE LYS A 11 -2.377 13.134 7.667 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.527 14.476 8.273 1.00 0.00 N ATOM 0 H LYS A 11 2.496 9.125 7.378 1.00 0.00 H new ATOM 0 HA LYS A 11 0.682 9.923 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.068 11.332 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.417 10.065 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.689 10.781 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.463 10.461 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.885 12.675 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.228 12.976 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.417 13.212 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.207 12.496 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.432 14.893 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.510 14.393 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.745 15.087 7.962 1.00 0.00 H new ATOM 188 N THR A 12 -1.125 8.251 9.391 1.00 0.00 N ATOM 189 CA THR A 12 -2.051 7.136 9.502 1.00 0.00 C ATOM 190 C THR A 12 -3.348 7.443 8.750 1.00 0.00 C ATOM 191 O THR A 12 -4.051 8.396 9.081 1.00 0.00 O ATOM 192 CB THR A 12 -2.264 6.845 10.989 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.008 6.336 11.427 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.239 5.689 11.225 1.00 0.00 C ATOM 0 H THR A 12 -1.344 9.049 9.988 1.00 0.00 H new ATOM 0 HA THR A 12 -1.647 6.238 9.035 1.00 0.00 H new ATOM 0 HB THR A 12 -2.637 7.741 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.057 6.123 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.355 5.524 12.296 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.207 5.935 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.850 4.784 10.758 1.00 0.00 H new ATOM 202 N ILE A 13 -3.625 6.616 7.752 1.00 0.00 N ATOM 203 CA ILE A 13 -4.825 6.787 6.951 1.00 0.00 C ATOM 204 C ILE A 13 -5.632 5.487 6.966 1.00 0.00 C ATOM 205 O ILE A 13 -5.161 4.454 6.493 1.00 0.00 O ATOM 206 CB ILE A 13 -4.466 7.272 5.545 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.787 8.642 5.595 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.696 7.274 4.635 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.337 9.082 4.200 1.00 0.00 C ATOM 0 H ILE A 13 -3.039 5.826 7.480 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.461 7.563 7.378 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.749 6.573 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.476 9.379 6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.926 8.601 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.413 7.623 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.098 6.263 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.455 7.937 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.858 10.059 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.629 8.356 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.203 9.145 3.541 1.00 0.00 H new ATOM 221 N THR A 14 -6.835 5.580 7.514 1.00 0.00 N ATOM 222 CA THR A 14 -7.712 4.426 7.596 1.00 0.00 C ATOM 223 C THR A 14 -8.696 4.417 6.425 1.00 0.00 C ATOM 224 O THR A 14 -9.227 5.461 6.049 1.00 0.00 O ATOM 225 CB THR A 14 -8.396 4.447 8.964 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.375 4.887 9.856 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.750 3.046 9.466 1.00 0.00 C ATOM 0 H THR A 14 -7.223 6.438 7.906 1.00 0.00 H new ATOM 0 HA THR A 14 -7.149 3.497 7.512 1.00 0.00 H new ATOM 0 HB THR A 14 -9.302 5.050 8.906 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.201 4.191 10.524 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.233 3.120 10.440 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.429 2.567 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.841 2.451 9.556 1.00 0.00 H new ATOM 235 N LEU A 15 -8.909 3.229 5.880 1.00 0.00 N ATOM 236 CA LEU A 15 -9.819 3.071 4.760 1.00 0.00 C ATOM 237 C LEU A 15 -10.657 1.808 4.961 1.00 0.00 C ATOM 238 O LEU A 15 -10.127 0.759 5.326 1.00 0.00 O ATOM 239 CB LEU A 15 -9.050 3.094 3.437 1.00 0.00 C ATOM 240 CG LEU A 15 -9.854 3.499 2.199 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.688 4.752 2.474 1.00 0.00 C ATOM 242 CD2 LEU A 15 -8.942 3.672 0.985 1.00 0.00 C ATOM 0 H LEU A 15 -8.466 2.366 6.194 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.513 3.910 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.210 3.780 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.632 2.102 3.266 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.550 2.694 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.250 5.019 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.381 4.556 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.028 5.575 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.539 3.960 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.205 4.448 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.431 2.732 0.777 1.00 0.00 H new ATOM 254 N GLU A 16 -11.951 1.948 4.715 1.00 0.00 N ATOM 255 CA GLU A 16 -12.867 0.830 4.865 1.00 0.00 C ATOM 256 C GLU A 16 -13.125 0.168 3.510 1.00 0.00 C ATOM 257 O GLU A 16 -13.646 0.804 2.595 1.00 0.00 O ATOM 258 CB GLU A 16 -14.178 1.278 5.515 1.00 0.00 C ATOM 259 CG GLU A 16 -14.962 2.204 4.583 1.00 0.00 C ATOM 260 CD GLU A 16 -16.038 2.972 5.353 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.797 3.242 6.550 1.00 0.00 O ATOM 262 OE2 GLU A 16 -17.078 3.273 4.728 1.00 0.00 O ATOM 0 H GLU A 16 -12.387 2.819 4.413 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.406 0.095 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.783 0.405 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.966 1.793 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.280 2.907 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.426 1.619 3.789 1.00 0.00 H new ATOM 269 N VAL A 17 -12.748 -1.099 3.424 1.00 0.00 N ATOM 270 CA VAL A 17 -12.932 -1.852 2.195 1.00 0.00 C ATOM 271 C VAL A 17 -13.415 -3.263 2.536 1.00 0.00 C ATOM 272 O VAL A 17 -13.610 -3.592 3.705 1.00 0.00 O ATOM 273 CB VAL A 17 -11.638 -1.845 1.378 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.138 -0.415 1.159 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.564 -2.706 2.043 1.00 0.00 C ATOM 0 H VAL A 17 -12.316 -1.623 4.185 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.696 -1.387 1.572 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.855 -2.278 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.217 -0.437 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.895 0.157 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.946 0.055 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.655 -2.683 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.350 -2.317 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.920 -3.733 2.124 1.00 0.00 H new ATOM 285 N GLU A 18 -13.595 -4.061 1.493 1.00 0.00 N ATOM 286 CA GLU A 18 -14.051 -5.429 1.666 1.00 0.00 C ATOM 287 C GLU A 18 -12.906 -6.409 1.400 1.00 0.00 C ATOM 288 O GLU A 18 -11.932 -6.064 0.734 1.00 0.00 O ATOM 289 CB GLU A 18 -15.249 -5.727 0.762 1.00 0.00 C ATOM 290 CG GLU A 18 -16.561 -5.643 1.544 1.00 0.00 C ATOM 291 CD GLU A 18 -17.280 -6.994 1.556 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.891 -7.320 0.516 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.200 -7.671 2.604 1.00 0.00 O ATOM 0 H GLU A 18 -13.433 -3.785 0.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.377 -5.554 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.269 -5.018 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.143 -6.721 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.359 -5.325 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.207 -4.887 1.097 1.00 0.00 H new ATOM 300 N PRO A 19 -13.067 -7.643 1.950 1.00 0.00 N ATOM 301 CA PRO A 19 -12.058 -8.675 1.778 1.00 0.00 C ATOM 302 C PRO A 19 -12.107 -9.259 0.366 1.00 0.00 C ATOM 303 O PRO A 19 -11.179 -9.946 -0.058 1.00 0.00 O ATOM 304 CB PRO A 19 -12.360 -9.702 2.857 1.00 0.00 C ATOM 305 CG PRO A 19 -13.794 -9.444 3.290 1.00 0.00 C ATOM 306 CD PRO A 19 -14.207 -8.086 2.746 1.00 0.00 C ATOM 0 HA PRO A 19 -11.042 -8.293 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.244 -10.716 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.674 -9.598 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.454 -10.224 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.874 -9.460 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.109 -8.160 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.423 -7.385 3.553 1.00 0.00 H new ATOM 314 N SER A 20 -13.198 -8.965 -0.325 1.00 0.00 N ATOM 315 CA SER A 20 -13.379 -9.452 -1.681 1.00 0.00 C ATOM 316 C SER A 20 -12.788 -8.455 -2.681 1.00 0.00 C ATOM 317 O SER A 20 -12.437 -8.827 -3.799 1.00 0.00 O ATOM 318 CB SER A 20 -14.859 -9.695 -1.987 1.00 0.00 C ATOM 319 OG SER A 20 -15.054 -10.233 -3.292 1.00 0.00 O ATOM 0 H SER A 20 -13.966 -8.395 0.029 1.00 0.00 H new ATOM 0 HA SER A 20 -12.855 -10.403 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.274 -10.379 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.407 -8.757 -1.896 1.00 0.00 H new ATOM 0 HG SER A 20 -16.011 -10.375 -3.448 1.00 0.00 H new ATOM 325 N ASP A 21 -12.696 -7.210 -2.239 1.00 0.00 N ATOM 326 CA ASP A 21 -12.153 -6.156 -3.080 1.00 0.00 C ATOM 327 C ASP A 21 -10.655 -6.392 -3.281 1.00 0.00 C ATOM 328 O ASP A 21 -9.963 -6.832 -2.364 1.00 0.00 O ATOM 329 CB ASP A 21 -12.333 -4.784 -2.429 1.00 0.00 C ATOM 330 CG ASP A 21 -13.715 -4.531 -1.822 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.630 -5.317 -2.150 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.824 -3.559 -1.045 1.00 0.00 O ATOM 0 H ASP A 21 -12.988 -6.907 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.685 -6.175 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.583 -4.669 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.135 -4.015 -3.176 1.00 0.00 H new ATOM 337 N THR A 22 -10.197 -6.088 -4.488 1.00 0.00 N ATOM 338 CA THR A 22 -8.793 -6.261 -4.820 1.00 0.00 C ATOM 339 C THR A 22 -7.992 -5.024 -4.411 1.00 0.00 C ATOM 340 O THR A 22 -8.567 -3.981 -4.102 1.00 0.00 O ATOM 341 CB THR A 22 -8.698 -6.580 -6.314 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.040 -5.353 -6.953 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.784 -7.555 -6.776 1.00 0.00 C ATOM 0 H THR A 22 -10.773 -5.723 -5.247 1.00 0.00 H new ATOM 0 HA THR A 22 -8.354 -7.091 -4.266 1.00 0.00 H new ATOM 0 HB THR A 22 -7.716 -7.000 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.002 -5.469 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.671 -7.747 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.690 -8.492 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.766 -7.121 -6.588 1.00 0.00 H new ATOM 351 N ILE A 23 -6.676 -5.181 -4.422 1.00 0.00 N ATOM 352 CA ILE A 23 -5.790 -4.090 -4.055 1.00 0.00 C ATOM 353 C ILE A 23 -6.057 -2.892 -4.968 1.00 0.00 C ATOM 354 O ILE A 23 -5.858 -1.746 -4.570 1.00 0.00 O ATOM 355 CB ILE A 23 -4.333 -4.557 -4.064 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.133 -5.747 -3.123 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.384 -3.401 -3.737 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.193 -5.304 -1.660 1.00 0.00 C ATOM 0 H ILE A 23 -6.203 -6.047 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.990 -3.764 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.090 -4.898 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.901 -6.497 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.171 -6.218 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.355 -3.760 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.502 -2.612 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.618 -3.007 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.048 -6.168 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.409 -4.572 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.165 -4.856 -1.455 1.00 0.00 H new ATOM 370 N GLU A 24 -6.505 -3.199 -6.177 1.00 0.00 N ATOM 371 CA GLU A 24 -6.802 -2.162 -7.151 1.00 0.00 C ATOM 372 C GLU A 24 -8.006 -1.336 -6.695 1.00 0.00 C ATOM 373 O GLU A 24 -8.014 -0.113 -6.834 1.00 0.00 O ATOM 374 CB GLU A 24 -7.042 -2.764 -8.536 1.00 0.00 C ATOM 375 CG GLU A 24 -6.971 -1.687 -9.622 1.00 0.00 C ATOM 376 CD GLU A 24 -8.082 -1.879 -10.657 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.229 -1.503 -10.334 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.758 -2.396 -11.747 1.00 0.00 O ATOM 0 H GLU A 24 -6.669 -4.151 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.939 -1.500 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.298 -3.536 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.018 -3.248 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.059 -0.700 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.999 -1.725 -10.115 1.00 0.00 H new ATOM 385 N ASN A 25 -8.996 -2.037 -6.162 1.00 0.00 N ATOM 386 CA ASN A 25 -10.203 -1.383 -5.685 1.00 0.00 C ATOM 387 C ASN A 25 -9.859 -0.496 -4.487 1.00 0.00 C ATOM 388 O ASN A 25 -10.287 0.656 -4.419 1.00 0.00 O ATOM 389 CB ASN A 25 -11.242 -2.409 -5.230 1.00 0.00 C ATOM 390 CG ASN A 25 -12.657 -1.959 -5.600 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.261 -1.124 -4.947 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.150 -2.556 -6.681 1.00 0.00 N ATOM 0 H ASN A 25 -8.987 -3.051 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.613 -0.793 -6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.031 -3.374 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.172 -2.549 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.087 -2.323 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.591 -3.247 -7.182 1.00 0.00 H new ATOM 399 N VAL A 26 -9.089 -1.065 -3.572 1.00 0.00 N ATOM 400 CA VAL A 26 -8.683 -0.341 -2.380 1.00 0.00 C ATOM 401 C VAL A 26 -7.809 0.848 -2.784 1.00 0.00 C ATOM 402 O VAL A 26 -7.952 1.942 -2.240 1.00 0.00 O ATOM 403 CB VAL A 26 -7.985 -1.290 -1.403 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.736 -0.605 -0.057 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.789 -2.578 -1.222 1.00 0.00 C ATOM 0 H VAL A 26 -8.735 -2.020 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.554 0.057 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.017 -1.556 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.239 -1.301 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.104 0.270 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.688 -0.296 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.271 -3.235 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.777 -2.338 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.892 -3.081 -2.184 1.00 0.00 H new ATOM 415 N LYS A 27 -6.924 0.595 -3.737 1.00 0.00 N ATOM 416 CA LYS A 27 -6.028 1.631 -4.221 1.00 0.00 C ATOM 417 C LYS A 27 -6.850 2.756 -4.852 1.00 0.00 C ATOM 418 O LYS A 27 -6.602 3.933 -4.593 1.00 0.00 O ATOM 419 CB LYS A 27 -4.977 1.035 -5.160 1.00 0.00 C ATOM 420 CG LYS A 27 -3.774 0.510 -4.374 1.00 0.00 C ATOM 421 CD LYS A 27 -3.047 -0.588 -5.154 1.00 0.00 C ATOM 422 CE LYS A 27 -2.208 0.007 -6.285 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.179 -0.959 -6.730 1.00 0.00 N ATOM 0 H LYS A 27 -6.808 -0.313 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.470 2.069 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.419 0.224 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.648 1.793 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.086 1.329 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.106 0.119 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.405 -1.154 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.774 -1.289 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.853 0.273 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.730 0.926 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.618 -0.539 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.554 -1.192 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.641 -1.825 -7.072 1.00 0.00 H new ATOM 437 N ALA A 28 -7.813 2.355 -5.669 1.00 0.00 N ATOM 438 CA ALA A 28 -8.673 3.316 -6.340 1.00 0.00 C ATOM 439 C ALA A 28 -9.390 4.170 -5.293 1.00 0.00 C ATOM 440 O ALA A 28 -9.571 5.372 -5.484 1.00 0.00 O ATOM 441 CB ALA A 28 -9.649 2.574 -7.256 1.00 0.00 C ATOM 0 H ALA A 28 -8.017 1.378 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.085 3.987 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.294 3.294 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.090 2.006 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.259 1.893 -6.662 1.00 0.00 H new ATOM 447 N LYS A 29 -9.782 3.515 -4.209 1.00 0.00 N ATOM 448 CA LYS A 29 -10.476 4.200 -3.131 1.00 0.00 C ATOM 449 C LYS A 29 -9.544 5.244 -2.513 1.00 0.00 C ATOM 450 O LYS A 29 -9.966 6.361 -2.220 1.00 0.00 O ATOM 451 CB LYS A 29 -11.024 3.190 -2.121 1.00 0.00 C ATOM 452 CG LYS A 29 -12.426 2.724 -2.518 1.00 0.00 C ATOM 453 CD LYS A 29 -13.003 1.767 -1.472 1.00 0.00 C ATOM 454 CE LYS A 29 -14.489 2.043 -1.236 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.321 1.111 -2.030 1.00 0.00 N ATOM 0 H LYS A 29 -9.632 2.518 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.344 4.735 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.355 2.332 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.054 3.642 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.082 3.587 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.387 2.228 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.869 0.737 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.456 1.874 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.721 1.935 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.722 3.072 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.327 1.312 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.111 1.234 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.110 0.132 -1.749 1.00 0.00 H new ATOM 469 N ILE A 30 -8.294 4.842 -2.332 1.00 0.00 N ATOM 470 CA ILE A 30 -7.299 5.730 -1.753 1.00 0.00 C ATOM 471 C ILE A 30 -7.093 6.931 -2.679 1.00 0.00 C ATOM 472 O ILE A 30 -6.859 8.044 -2.213 1.00 0.00 O ATOM 473 CB ILE A 30 -6.011 4.962 -1.446 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.288 3.774 -0.524 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.941 5.894 -0.875 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.250 2.669 -0.726 1.00 0.00 C ATOM 0 H ILE A 30 -7.948 3.914 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.647 6.121 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.622 4.559 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.275 4.105 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.285 3.381 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.036 5.324 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.717 6.677 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.307 6.346 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.470 1.836 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.282 2.324 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.256 3.058 -0.505 1.00 0.00 H new ATOM 488 N GLN A 31 -7.189 6.664 -3.973 1.00 0.00 N ATOM 489 CA GLN A 31 -7.017 7.708 -4.967 1.00 0.00 C ATOM 490 C GLN A 31 -8.144 8.738 -4.858 1.00 0.00 C ATOM 491 O GLN A 31 -7.891 9.914 -4.599 1.00 0.00 O ATOM 492 CB GLN A 31 -6.949 7.117 -6.377 1.00 0.00 C ATOM 493 CG GLN A 31 -6.696 8.211 -7.418 1.00 0.00 C ATOM 494 CD GLN A 31 -7.460 7.922 -8.713 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.321 8.675 -9.136 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.098 6.793 -9.314 1.00 0.00 N ATOM 0 H GLN A 31 -7.384 5.739 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.071 8.213 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.154 6.373 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.882 6.602 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.004 9.177 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.629 8.278 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.369 6.209 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.549 6.511 -10.184 1.00 0.00 H new ATOM 505 N ASP A 32 -9.362 8.257 -5.059 1.00 0.00 N ATOM 506 CA ASP A 32 -10.528 9.120 -4.984 1.00 0.00 C ATOM 507 C ASP A 32 -10.491 9.911 -3.675 1.00 0.00 C ATOM 508 O ASP A 32 -10.959 11.047 -3.617 1.00 0.00 O ATOM 509 CB ASP A 32 -11.821 8.303 -5.007 1.00 0.00 C ATOM 510 CG ASP A 32 -12.881 8.796 -5.993 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.599 9.750 -5.624 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.950 8.208 -7.095 1.00 0.00 O ATOM 0 H ASP A 32 -9.566 7.281 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.508 9.787 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.575 7.269 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.251 8.303 -4.005 1.00 0.00 H new ATOM 517 N LYS A 33 -9.929 9.277 -2.655 1.00 0.00 N ATOM 518 CA LYS A 33 -9.824 9.907 -1.350 1.00 0.00 C ATOM 519 C LYS A 33 -8.628 10.860 -1.342 1.00 0.00 C ATOM 520 O LYS A 33 -8.798 12.077 -1.399 1.00 0.00 O ATOM 521 CB LYS A 33 -9.774 8.848 -0.247 1.00 0.00 C ATOM 522 CG LYS A 33 -10.695 9.223 0.915 1.00 0.00 C ATOM 523 CD LYS A 33 -9.913 9.907 2.038 1.00 0.00 C ATOM 524 CE LYS A 33 -10.805 10.161 3.254 1.00 0.00 C ATOM 525 NZ LYS A 33 -10.007 10.125 4.500 1.00 0.00 N ATOM 0 H LYS A 33 -9.542 8.335 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.710 10.507 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.070 7.881 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.751 8.742 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.483 9.887 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.183 8.328 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.067 9.284 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.505 10.852 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.295 11.130 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.593 9.409 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.628 10.299 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.560 9.191 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.271 10.859 4.462 1.00 0.00 H new ATOM 539 N GLU A 34 -7.444 10.271 -1.273 1.00 0.00 N ATOM 540 CA GLU A 34 -6.219 11.053 -1.258 1.00 0.00 C ATOM 541 C GLU A 34 -6.031 11.773 -2.595 1.00 0.00 C ATOM 542 O GLU A 34 -6.035 13.002 -2.648 1.00 0.00 O ATOM 543 CB GLU A 34 -5.009 10.171 -0.936 1.00 0.00 C ATOM 544 CG GLU A 34 -4.714 10.174 0.565 1.00 0.00 C ATOM 545 CD GLU A 34 -4.467 8.753 1.078 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.795 7.996 0.345 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.954 8.459 2.190 1.00 0.00 O ATOM 0 H GLU A 34 -7.306 9.261 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.301 11.804 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.198 9.151 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.137 10.530 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.841 10.794 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.551 10.618 1.103 1.00 0.00 H new ATOM 554 N GLY A 35 -5.872 10.977 -3.642 1.00 0.00 N ATOM 555 CA GLY A 35 -5.685 11.523 -4.975 1.00 0.00 C ATOM 556 C GLY A 35 -4.424 10.953 -5.628 1.00 0.00 C ATOM 557 O GLY A 35 -4.052 11.359 -6.729 1.00 0.00 O ATOM 0 H GLY A 35 -5.869 9.958 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.554 11.293 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.612 12.609 -4.920 1.00 0.00 H new ATOM 561 N ILE A 36 -3.800 10.021 -4.923 1.00 0.00 N ATOM 562 CA ILE A 36 -2.589 9.391 -5.419 1.00 0.00 C ATOM 563 C ILE A 36 -2.960 8.335 -6.464 1.00 0.00 C ATOM 564 O ILE A 36 -3.971 7.650 -6.328 1.00 0.00 O ATOM 565 CB ILE A 36 -1.755 8.842 -4.261 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.285 9.970 -3.341 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.588 7.997 -4.775 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.293 9.526 -1.877 1.00 0.00 C ATOM 0 H ILE A 36 -4.111 9.687 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.955 10.125 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.389 8.184 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.279 10.280 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.933 10.838 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.012 7.620 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.974 7.158 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.054 8.610 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.954 10.348 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.305 9.240 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.626 8.673 -1.752 1.00 0.00 H new ATOM 580 N PRO A 37 -2.097 8.236 -7.511 1.00 0.00 N ATOM 581 CA PRO A 37 -2.324 7.277 -8.579 1.00 0.00 C ATOM 582 C PRO A 37 -1.985 5.857 -8.120 1.00 0.00 C ATOM 583 O PRO A 37 -1.117 5.665 -7.270 1.00 0.00 O ATOM 584 CB PRO A 37 -1.451 7.753 -9.728 1.00 0.00 C ATOM 585 CG PRO A 37 -0.421 8.686 -9.111 1.00 0.00 C ATOM 586 CD PRO A 37 -0.889 9.032 -7.707 1.00 0.00 C ATOM 0 HA PRO A 37 -3.369 7.227 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.968 6.912 -10.226 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.045 8.271 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.558 8.207 -9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.315 9.589 -9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.129 8.787 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.097 10.098 -7.611 1.00 0.00 H new ATOM 594 N PRO A 38 -2.708 4.872 -8.718 1.00 0.00 N ATOM 595 CA PRO A 38 -2.493 3.475 -8.380 1.00 0.00 C ATOM 596 C PRO A 38 -1.198 2.953 -9.005 1.00 0.00 C ATOM 597 O PRO A 38 -0.545 2.071 -8.446 1.00 0.00 O ATOM 598 CB PRO A 38 -3.731 2.753 -8.886 1.00 0.00 C ATOM 599 CG PRO A 38 -4.376 3.688 -9.895 1.00 0.00 C ATOM 600 CD PRO A 38 -3.745 5.060 -9.728 1.00 0.00 C ATOM 0 HA PRO A 38 -2.366 3.316 -7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.467 1.802 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.415 2.530 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.224 3.319 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.453 3.741 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.323 5.418 -10.667 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.481 5.798 -9.407 1.00 0.00 H new ATOM 608 N ASP A 39 -0.864 3.517 -10.156 1.00 0.00 N ATOM 609 CA ASP A 39 0.341 3.120 -10.863 1.00 0.00 C ATOM 610 C ASP A 39 1.566 3.565 -10.063 1.00 0.00 C ATOM 611 O ASP A 39 2.565 2.849 -10.000 1.00 0.00 O ATOM 612 CB ASP A 39 0.413 3.777 -12.243 1.00 0.00 C ATOM 613 CG ASP A 39 -0.212 2.964 -13.379 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.182 1.720 -13.270 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.704 3.606 -14.333 1.00 0.00 O ATOM 0 H ASP A 39 -1.408 4.247 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 39 0.321 2.037 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.084 4.746 -12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.459 3.967 -12.485 1.00 0.00 H new ATOM 620 N GLN A 40 1.451 4.746 -9.473 1.00 0.00 N ATOM 621 CA GLN A 40 2.538 5.295 -8.680 1.00 0.00 C ATOM 622 C GLN A 40 2.392 4.875 -7.216 1.00 0.00 C ATOM 623 O GLN A 40 3.074 5.409 -6.342 1.00 0.00 O ATOM 624 CB GLN A 40 2.596 6.818 -8.810 1.00 0.00 C ATOM 625 CG GLN A 40 4.044 7.313 -8.811 1.00 0.00 C ATOM 626 CD GLN A 40 4.601 7.376 -10.235 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.125 6.720 -11.145 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.636 8.201 -10.374 1.00 0.00 N ATOM 0 H GLN A 40 0.622 5.338 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 40 3.478 4.894 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.102 7.127 -9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.051 7.278 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.095 8.301 -8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.660 6.648 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.985 8.721 -9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.080 8.313 -11.285 1.00 0.00 H new ATOM 637 N GLN A 41 1.498 3.923 -6.993 1.00 0.00 N ATOM 638 CA GLN A 41 1.253 3.426 -5.651 1.00 0.00 C ATOM 639 C GLN A 41 2.115 2.192 -5.376 1.00 0.00 C ATOM 640 O GLN A 41 2.278 1.338 -6.246 1.00 0.00 O ATOM 641 CB GLN A 41 -0.230 3.114 -5.442 1.00 0.00 C ATOM 642 CG GLN A 41 -0.905 4.198 -4.599 1.00 0.00 C ATOM 643 CD GLN A 41 -2.333 3.794 -4.227 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.593 3.233 -3.176 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.241 4.110 -5.146 1.00 0.00 N ATOM 0 H GLN A 41 0.934 3.483 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 41 1.530 4.206 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.729 3.037 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.336 2.147 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.325 4.373 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.921 5.137 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.955 4.580 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.223 3.883 -4.992 1.00 0.00 H new ATOM 654 N ARG A 42 2.645 2.137 -4.163 1.00 0.00 N ATOM 655 CA ARG A 42 3.486 1.022 -3.763 1.00 0.00 C ATOM 656 C ARG A 42 3.077 0.519 -2.377 1.00 0.00 C ATOM 657 O ARG A 42 3.608 0.974 -1.365 1.00 0.00 O ATOM 658 CB ARG A 42 4.962 1.428 -3.735 1.00 0.00 C ATOM 659 CG ARG A 42 5.824 0.409 -4.484 1.00 0.00 C ATOM 660 CD ARG A 42 6.799 -0.289 -3.532 1.00 0.00 C ATOM 661 NE ARG A 42 7.534 -1.351 -4.252 1.00 0.00 N ATOM 662 CZ ARG A 42 8.609 -1.985 -3.762 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.078 -1.667 -2.549 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.213 -2.936 -4.487 1.00 0.00 N ATOM 0 H ARG A 42 2.508 2.847 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 42 3.353 0.226 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.081 2.413 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.302 1.508 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.184 -0.332 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.380 0.910 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.501 0.436 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.255 -0.718 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 42 7.203 -1.618 -5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.618 -0.943 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.896 -2.149 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.855 -3.177 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.031 -3.419 -4.115 1.00 0.00 H new ATOM 678 N LEU A 43 2.137 -0.415 -2.377 1.00 0.00 N ATOM 679 CA LEU A 43 1.649 -0.986 -1.131 1.00 0.00 C ATOM 680 C LEU A 43 2.374 -2.307 -0.864 1.00 0.00 C ATOM 681 O LEU A 43 2.317 -3.226 -1.678 1.00 0.00 O ATOM 682 CB LEU A 43 0.126 -1.115 -1.162 1.00 0.00 C ATOM 683 CG LEU A 43 -0.623 -0.045 -1.959 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.137 -0.240 -1.852 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.195 1.359 -1.527 1.00 0.00 C ATOM 0 H LEU A 43 1.700 -0.791 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 43 1.872 -0.324 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.127 -2.091 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.241 -1.098 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.358 -0.154 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.645 0.534 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.406 -1.220 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.440 -0.172 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.742 2.101 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.412 1.496 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.875 1.482 -1.697 1.00 0.00 H new ATOM 697 N ILE A 44 3.039 -2.359 0.282 1.00 0.00 N ATOM 698 CA ILE A 44 3.772 -3.551 0.667 1.00 0.00 C ATOM 699 C ILE A 44 3.078 -4.209 1.861 1.00 0.00 C ATOM 700 O ILE A 44 2.572 -3.521 2.746 1.00 0.00 O ATOM 701 CB ILE A 44 5.244 -3.216 0.920 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.870 -2.538 -0.299 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.024 -4.461 1.348 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.023 -1.621 0.114 1.00 0.00 C ATOM 0 H ILE A 44 3.085 -1.594 0.955 1.00 0.00 H new ATOM 0 HA ILE A 44 3.768 -4.279 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 44 5.295 -2.505 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.234 -3.295 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.112 -1.959 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.067 -4.195 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.594 -4.862 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.967 -5.214 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.450 -1.152 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.651 -0.850 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.791 -2.207 0.620 1.00 0.00 H new ATOM 716 N PHE A 45 3.076 -5.534 1.847 1.00 0.00 N ATOM 717 CA PHE A 45 2.451 -6.293 2.918 1.00 0.00 C ATOM 718 C PHE A 45 3.032 -7.706 2.999 1.00 0.00 C ATOM 719 O PHE A 45 3.057 -8.429 2.004 1.00 0.00 O ATOM 720 CB PHE A 45 0.960 -6.385 2.589 1.00 0.00 C ATOM 721 CG PHE A 45 0.062 -6.556 3.815 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.224 -7.631 4.632 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.899 -5.633 4.089 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.610 -7.790 5.771 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.733 -5.791 5.227 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.570 -6.867 6.045 1.00 0.00 C ATOM 0 H PHE A 45 3.497 -6.102 1.111 1.00 0.00 H new ATOM 0 HA PHE A 45 2.627 -5.801 3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.660 -5.484 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.799 -7.225 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.987 -8.364 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.028 -4.779 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.481 -8.644 6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.496 -5.058 5.444 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.203 -6.987 6.912 1.00 0.00 H new ATOM 736 N ALA A 46 3.485 -8.057 4.193 1.00 0.00 N ATOM 737 CA ALA A 46 4.064 -9.371 4.418 1.00 0.00 C ATOM 738 C ALA A 46 5.352 -9.503 3.601 1.00 0.00 C ATOM 739 O ALA A 46 5.883 -10.601 3.446 1.00 0.00 O ATOM 740 CB ALA A 46 3.037 -10.449 4.066 1.00 0.00 C ATOM 0 H ALA A 46 3.463 -7.454 5.016 1.00 0.00 H new ATOM 0 HA ALA A 46 4.325 -9.500 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.471 -11.434 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.154 -10.329 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.753 -10.352 3.018 1.00 0.00 H new ATOM 746 N GLY A 47 5.815 -8.367 3.100 1.00 0.00 N ATOM 747 CA GLY A 47 7.030 -8.341 2.304 1.00 0.00 C ATOM 748 C GLY A 47 6.721 -8.583 0.825 1.00 0.00 C ATOM 749 O GLY A 47 7.631 -8.661 0.002 1.00 0.00 O ATOM 0 H GLY A 47 5.371 -7.458 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.526 -7.378 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.722 -9.103 2.664 1.00 0.00 H new ATOM 753 N LYS A 48 5.433 -8.695 0.534 1.00 0.00 N ATOM 754 CA LYS A 48 4.993 -8.926 -0.832 1.00 0.00 C ATOM 755 C LYS A 48 4.300 -7.669 -1.359 1.00 0.00 C ATOM 756 O LYS A 48 3.718 -6.906 -0.589 1.00 0.00 O ATOM 757 CB LYS A 48 4.125 -10.184 -0.909 1.00 0.00 C ATOM 758 CG LYS A 48 4.390 -10.955 -2.204 1.00 0.00 C ATOM 759 CD LYS A 48 4.058 -12.439 -2.037 1.00 0.00 C ATOM 760 CE LYS A 48 4.352 -13.214 -3.323 1.00 0.00 C ATOM 761 NZ LYS A 48 3.162 -13.987 -3.745 1.00 0.00 N ATOM 0 H LYS A 48 4.681 -8.630 1.220 1.00 0.00 H new ATOM 0 HA LYS A 48 5.848 -9.115 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.330 -10.825 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.072 -9.907 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.791 -10.533 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.436 -10.843 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.641 -12.856 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.007 -12.553 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.643 -12.522 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.194 -13.888 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.378 -14.507 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.902 -14.661 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.369 -13.337 -3.916 1.00 0.00 H new ATOM 775 N GLN A 49 4.385 -7.490 -2.670 1.00 0.00 N ATOM 776 CA GLN A 49 3.774 -6.337 -3.310 1.00 0.00 C ATOM 777 C GLN A 49 2.294 -6.608 -3.587 1.00 0.00 C ATOM 778 O GLN A 49 1.930 -7.694 -4.034 1.00 0.00 O ATOM 779 CB GLN A 49 4.514 -5.968 -4.597 1.00 0.00 C ATOM 780 CG GLN A 49 4.622 -7.175 -5.533 1.00 0.00 C ATOM 781 CD GLN A 49 5.985 -7.856 -5.393 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.905 -7.341 -4.779 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.063 -9.039 -5.996 1.00 0.00 N ATOM 0 H GLN A 49 4.868 -8.124 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 49 3.848 -5.487 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.990 -5.157 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.511 -5.601 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.830 -7.888 -5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.476 -6.854 -6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.254 -9.412 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.931 -9.573 -5.961 1.00 0.00 H new ATOM 792 N LEU A 50 1.479 -5.600 -3.308 1.00 0.00 N ATOM 793 CA LEU A 50 0.047 -5.715 -3.521 1.00 0.00 C ATOM 794 C LEU A 50 -0.261 -5.519 -5.007 1.00 0.00 C ATOM 795 O LEU A 50 -0.094 -4.423 -5.540 1.00 0.00 O ATOM 796 CB LEU A 50 -0.711 -4.752 -2.605 1.00 0.00 C ATOM 797 CG LEU A 50 -0.367 -4.833 -1.116 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.268 -3.908 -0.295 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.422 -6.278 -0.618 1.00 0.00 C ATOM 0 H LEU A 50 1.784 -4.700 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.298 -6.713 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.524 -3.734 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.779 -4.936 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 50 0.658 -4.486 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.003 -3.984 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.134 -2.879 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.309 -4.201 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.173 -6.307 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.426 -6.676 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.294 -6.882 -1.175 1.00 0.00 H new ATOM 811 N GLU A 51 -0.705 -6.599 -5.635 1.00 0.00 N ATOM 812 CA GLU A 51 -1.037 -6.560 -7.048 1.00 0.00 C ATOM 813 C GLU A 51 -2.504 -6.169 -7.238 1.00 0.00 C ATOM 814 O GLU A 51 -3.379 -6.663 -6.527 1.00 0.00 O ATOM 815 CB GLU A 51 -0.736 -7.901 -7.720 1.00 0.00 C ATOM 816 CG GLU A 51 -0.382 -7.708 -9.195 1.00 0.00 C ATOM 817 CD GLU A 51 -1.174 -8.674 -10.080 1.00 0.00 C ATOM 818 OE1 GLU A 51 -2.415 -8.524 -10.113 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.521 -9.538 -10.703 1.00 0.00 O ATOM 0 H GLU A 51 -0.842 -7.506 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.414 -5.804 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.090 -8.392 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.602 -8.558 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.593 -6.681 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.686 -7.869 -9.340 1.00 0.00 H new ATOM 826 N ASP A 52 -2.729 -5.286 -8.200 1.00 0.00 N ATOM 827 CA ASP A 52 -4.075 -4.823 -8.492 1.00 0.00 C ATOM 828 C ASP A 52 -4.991 -6.031 -8.698 1.00 0.00 C ATOM 829 O ASP A 52 -6.209 -5.919 -8.568 1.00 0.00 O ATOM 830 CB ASP A 52 -4.103 -3.985 -9.771 1.00 0.00 C ATOM 831 CG ASP A 52 -3.796 -2.499 -9.577 1.00 0.00 C ATOM 832 OD1 ASP A 52 -3.976 -2.026 -8.434 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.388 -1.867 -10.576 1.00 0.00 O ATOM 0 H ASP A 52 -2.001 -4.879 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.412 -4.213 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.383 -4.400 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.088 -4.080 -10.229 1.00 0.00 H new ATOM 838 N GLY A 53 -4.370 -7.157 -9.015 1.00 0.00 N ATOM 839 CA GLY A 53 -5.115 -8.385 -9.241 1.00 0.00 C ATOM 840 C GLY A 53 -5.083 -9.280 -8.000 1.00 0.00 C ATOM 841 O GLY A 53 -5.421 -10.461 -8.075 1.00 0.00 O ATOM 0 H GLY A 53 -3.359 -7.246 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.148 -8.147 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.692 -8.920 -10.091 1.00 0.00 H new ATOM 845 N ARG A 54 -4.676 -8.684 -6.889 1.00 0.00 N ATOM 846 CA ARG A 54 -4.596 -9.414 -5.635 1.00 0.00 C ATOM 847 C ARG A 54 -5.717 -8.972 -4.691 1.00 0.00 C ATOM 848 O ARG A 54 -6.065 -7.794 -4.646 1.00 0.00 O ATOM 849 CB ARG A 54 -3.246 -9.188 -4.952 1.00 0.00 C ATOM 850 CG ARG A 54 -2.418 -10.475 -4.935 1.00 0.00 C ATOM 851 CD ARG A 54 -2.766 -11.333 -3.716 1.00 0.00 C ATOM 852 NE ARG A 54 -1.643 -12.245 -3.403 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.303 -13.303 -4.151 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.998 -13.591 -5.259 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.269 -14.075 -3.789 1.00 0.00 N ATOM 0 H ARG A 54 -4.398 -7.704 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.703 -10.475 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.697 -8.405 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.404 -8.840 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.601 -11.042 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.356 -10.229 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.976 -10.694 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.670 -11.910 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.093 -12.056 -2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.786 -13.005 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.739 -14.397 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.259 -13.857 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.010 -14.881 -4.359 1.00 0.00 H new ATOM 869 N THR A 55 -6.251 -9.941 -3.964 1.00 0.00 N ATOM 870 CA THR A 55 -7.325 -9.668 -3.025 1.00 0.00 C ATOM 871 C THR A 55 -6.775 -9.567 -1.600 1.00 0.00 C ATOM 872 O THR A 55 -5.775 -10.203 -1.271 1.00 0.00 O ATOM 873 CB THR A 55 -8.387 -10.756 -3.191 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.639 -11.968 -3.234 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.079 -10.696 -4.554 1.00 0.00 C ATOM 0 H THR A 55 -5.960 -10.918 -4.006 1.00 0.00 H new ATOM 0 HA THR A 55 -7.792 -8.705 -3.228 1.00 0.00 H new ATOM 0 HB THR A 55 -9.132 -10.659 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.253 -12.732 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.823 -11.490 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.568 -9.729 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.339 -10.826 -5.344 1.00 0.00 H new ATOM 883 N LEU A 56 -7.453 -8.764 -0.794 1.00 0.00 N ATOM 884 CA LEU A 56 -7.045 -8.571 0.587 1.00 0.00 C ATOM 885 C LEU A 56 -7.135 -9.906 1.331 1.00 0.00 C ATOM 886 O LEU A 56 -6.278 -10.220 2.157 1.00 0.00 O ATOM 887 CB LEU A 56 -7.860 -7.451 1.236 1.00 0.00 C ATOM 888 CG LEU A 56 -7.830 -6.099 0.520 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.112 -5.309 0.787 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.578 -5.306 0.899 1.00 0.00 C ATOM 0 H LEU A 56 -8.283 -8.239 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.006 -8.246 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.897 -7.778 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.499 -7.309 2.254 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.782 -6.282 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.065 -4.352 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.970 -5.876 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.216 -5.135 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.581 -4.349 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.569 -5.132 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.690 -5.871 0.616 1.00 0.00 H new ATOM 902 N SER A 57 -8.179 -10.656 1.012 1.00 0.00 N ATOM 903 CA SER A 57 -8.390 -11.950 1.639 1.00 0.00 C ATOM 904 C SER A 57 -7.241 -12.897 1.288 1.00 0.00 C ATOM 905 O SER A 57 -6.812 -13.693 2.120 1.00 0.00 O ATOM 906 CB SER A 57 -9.728 -12.557 1.210 1.00 0.00 C ATOM 907 OG SER A 57 -9.884 -13.892 1.684 1.00 0.00 O ATOM 0 H SER A 57 -8.888 -10.393 0.328 1.00 0.00 H new ATOM 0 HA SER A 57 -8.415 -11.806 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.544 -11.940 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.798 -12.548 0.122 1.00 0.00 H new ATOM 0 HG SER A 57 -10.750 -14.244 1.391 1.00 0.00 H new ATOM 913 N ASP A 58 -6.774 -12.778 0.053 1.00 0.00 N ATOM 914 CA ASP A 58 -5.683 -13.613 -0.419 1.00 0.00 C ATOM 915 C ASP A 58 -4.434 -13.334 0.420 1.00 0.00 C ATOM 916 O ASP A 58 -3.474 -14.101 0.384 1.00 0.00 O ATOM 917 CB ASP A 58 -5.349 -13.308 -1.880 1.00 0.00 C ATOM 918 CG ASP A 58 -5.891 -14.321 -2.892 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.124 -14.312 -3.099 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.060 -15.080 -3.436 1.00 0.00 O ATOM 0 H ASP A 58 -7.132 -12.115 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.992 -14.655 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.742 -12.322 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.265 -13.255 -1.986 1.00 0.00 H new ATOM 925 N TYR A 59 -4.488 -12.232 1.156 1.00 0.00 N ATOM 926 CA TYR A 59 -3.374 -11.843 2.002 1.00 0.00 C ATOM 927 C TYR A 59 -3.691 -12.094 3.477 1.00 0.00 C ATOM 928 O TYR A 59 -2.812 -11.990 4.332 1.00 0.00 O ATOM 929 CB TYR A 59 -3.182 -10.341 1.782 1.00 0.00 C ATOM 930 CG TYR A 59 -2.488 -9.988 0.465 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.332 -10.646 0.096 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.018 -9.012 -0.354 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.679 -10.314 -1.144 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.364 -8.680 -1.593 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.227 -9.348 -1.927 1.00 0.00 C ATOM 936 OH TYR A 59 -0.610 -9.035 -3.098 1.00 0.00 O ATOM 0 H TYR A 59 -5.286 -11.597 1.183 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.483 -12.420 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.156 -9.853 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.599 -9.935 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.917 -11.410 0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.923 -8.498 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.226 -10.821 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.767 -7.917 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 59 0.346 -8.891 -2.936 1.00 0.00 H new ATOM 946 N ASN A 60 -4.949 -12.420 3.732 1.00 0.00 N ATOM 947 CA ASN A 60 -5.394 -12.687 5.089 1.00 0.00 C ATOM 948 C ASN A 60 -5.081 -11.476 5.970 1.00 0.00 C ATOM 949 O ASN A 60 -4.397 -11.603 6.985 1.00 0.00 O ATOM 950 CB ASN A 60 -4.670 -13.900 5.677 1.00 0.00 C ATOM 951 CG ASN A 60 -5.406 -14.433 6.909 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.584 -14.191 7.114 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.646 -15.170 7.715 1.00 0.00 N ATOM 0 H ASN A 60 -5.675 -12.505 3.021 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.465 -12.886 5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.597 -14.685 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.651 -13.624 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.043 -15.571 8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.666 -15.334 7.483 1.00 0.00 H new ATOM 960 N ILE A 61 -5.598 -10.331 5.552 1.00 0.00 N ATOM 961 CA ILE A 61 -5.383 -9.098 6.291 1.00 0.00 C ATOM 962 C ILE A 61 -6.314 -9.065 7.503 1.00 0.00 C ATOM 963 O ILE A 61 -7.453 -9.524 7.428 1.00 0.00 O ATOM 964 CB ILE A 61 -5.531 -7.887 5.368 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.215 -7.578 4.651 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.063 -6.675 6.135 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.355 -7.771 3.140 1.00 0.00 C ATOM 0 H ILE A 61 -6.166 -10.230 4.711 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.363 -9.056 6.672 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.266 -8.131 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.913 -6.552 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.428 -8.228 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.159 -5.828 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.039 -6.912 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.371 -6.420 6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.406 -7.545 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.633 -8.804 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.126 -7.102 2.758 1.00 0.00 H new ATOM 979 N GLN A 62 -5.797 -8.519 8.594 1.00 0.00 N ATOM 980 CA GLN A 62 -6.569 -8.420 9.821 1.00 0.00 C ATOM 981 C GLN A 62 -7.241 -7.049 9.916 1.00 0.00 C ATOM 982 O GLN A 62 -6.776 -6.083 9.313 1.00 0.00 O ATOM 983 CB GLN A 62 -5.690 -8.687 11.044 1.00 0.00 C ATOM 984 CG GLN A 62 -4.692 -9.814 10.768 1.00 0.00 C ATOM 985 CD GLN A 62 -5.393 -11.174 10.751 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.899 -11.653 11.753 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.393 -11.768 9.562 1.00 0.00 N ATOM 0 H GLN A 62 -4.852 -8.140 8.654 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.347 -9.183 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.152 -7.778 11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.317 -8.952 11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.200 -9.642 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.914 -9.811 11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.951 -11.312 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.835 -12.680 9.448 1.00 0.00 H new ATOM 996 N LYS A 63 -8.324 -7.009 10.678 1.00 0.00 N ATOM 997 CA LYS A 63 -9.064 -5.772 10.860 1.00 0.00 C ATOM 998 C LYS A 63 -8.096 -4.656 11.256 1.00 0.00 C ATOM 999 O LYS A 63 -7.336 -4.799 12.213 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.209 -5.975 11.855 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.744 -6.782 13.069 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.165 -8.247 12.946 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.102 -8.647 14.088 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.852 -9.874 13.740 1.00 0.00 N ATOM 0 H LYS A 63 -8.707 -7.813 11.176 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.534 -5.468 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.588 -5.006 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.034 -6.492 11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.660 -6.718 13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.166 -6.354 13.978 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.663 -8.407 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.281 -8.885 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.525 -8.813 14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.799 -7.835 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.482 -10.130 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.418 -9.704 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.184 -10.651 13.565 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.154 -3.569 10.500 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.291 -2.429 10.760 1.00 0.00 C ATOM 1020 C GLU A 64 -5.826 -2.866 10.776 1.00 0.00 C ATOM 1021 O GLU A 64 -5.105 -2.601 11.737 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.673 -1.742 12.073 1.00 0.00 C ATOM 1023 CG GLU A 64 -9.170 -1.430 12.115 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.966 -2.637 12.619 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.450 -3.315 13.534 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -11.073 -2.852 12.079 1.00 0.00 O ATOM 0 H GLU A 64 -8.785 -3.454 9.707 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.425 -1.705 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.408 -2.384 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.103 -0.820 12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.349 -0.574 12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.516 -1.151 11.119 1.00 0.00 H new ATOM 1033 N SER A 65 -5.428 -3.529 9.699 1.00 0.00 N ATOM 1034 CA SER A 65 -4.061 -4.006 9.577 1.00 0.00 C ATOM 1035 C SER A 65 -3.128 -2.838 9.250 1.00 0.00 C ATOM 1036 O SER A 65 -3.586 -1.735 8.955 1.00 0.00 O ATOM 1037 CB SER A 65 -3.949 -5.090 8.503 1.00 0.00 C ATOM 1038 OG SER A 65 -4.314 -6.374 9.003 1.00 0.00 O ATOM 0 H SER A 65 -6.028 -3.747 8.904 1.00 0.00 H new ATOM 0 HA SER A 65 -3.765 -4.445 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.590 -4.833 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.926 -5.124 8.127 1.00 0.00 H new ATOM 0 HG SER A 65 -5.025 -6.275 9.670 1.00 0.00 H new ATOM 1044 N THR A 66 -1.834 -3.120 9.313 1.00 0.00 N ATOM 1045 CA THR A 66 -0.832 -2.107 9.028 1.00 0.00 C ATOM 1046 C THR A 66 -0.292 -2.277 7.607 1.00 0.00 C ATOM 1047 O THR A 66 0.418 -3.240 7.319 1.00 0.00 O ATOM 1048 CB THR A 66 0.252 -2.198 10.104 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.295 -1.481 11.208 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.510 -1.410 9.735 1.00 0.00 C ATOM 0 H THR A 66 -1.457 -4.036 9.557 1.00 0.00 H new ATOM 0 HA THR A 66 -1.261 -1.106 9.062 1.00 0.00 H new ATOM 0 HB THR A 66 0.514 -3.243 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.342 -1.491 11.953 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.247 -1.508 10.532 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.925 -1.801 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.255 -0.358 9.604 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.649 -1.327 6.755 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.209 -1.359 5.370 1.00 0.00 C ATOM 1060 C LEU A 67 0.820 -0.251 5.140 1.00 0.00 C ATOM 1061 O LEU A 67 0.732 0.817 5.745 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.411 -1.289 4.425 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.382 -2.469 4.486 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.331 -2.337 5.678 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.138 -2.625 3.165 1.00 0.00 C ATOM 0 H LEU A 67 -1.238 -0.530 6.997 1.00 0.00 H new ATOM 0 HA LEU A 67 0.287 -2.304 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.966 -0.376 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.040 -1.202 3.404 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.803 -3.381 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.011 -3.189 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.753 -2.312 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.906 -1.416 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.822 -3.471 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.704 -1.716 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.427 -2.799 2.357 1.00 0.00 H new ATOM 1077 N HIS A 68 1.771 -0.543 4.266 1.00 0.00 N ATOM 1078 CA HIS A 68 2.817 0.416 3.949 1.00 0.00 C ATOM 1079 C HIS A 68 2.579 0.991 2.551 1.00 0.00 C ATOM 1080 O HIS A 68 2.839 0.326 1.550 1.00 0.00 O ATOM 1081 CB HIS A 68 4.200 -0.218 4.102 1.00 0.00 C ATOM 1082 CG HIS A 68 5.107 0.511 5.064 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.460 0.689 4.830 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.842 1.105 6.262 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.975 1.361 5.849 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.971 1.617 6.737 1.00 0.00 N ATOM 0 H HIS A 68 1.840 -1.430 3.767 1.00 0.00 H new ATOM 0 HA HIS A 68 2.782 1.245 4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.081 -1.247 4.440 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.681 -0.257 3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.876 1.151 6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.009 1.655 5.958 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.071 2.119 7.619 1.00 0.00 H new ATOM 1094 N LEU A 69 2.085 2.221 2.528 1.00 0.00 N ATOM 1095 CA LEU A 69 1.810 2.893 1.270 1.00 0.00 C ATOM 1096 C LEU A 69 2.976 3.821 0.926 1.00 0.00 C ATOM 1097 O LEU A 69 3.103 4.903 1.496 1.00 0.00 O ATOM 1098 CB LEU A 69 0.455 3.603 1.328 1.00 0.00 C ATOM 1099 CG LEU A 69 0.335 4.887 0.503 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.677 4.628 -0.966 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.050 5.516 0.667 1.00 0.00 C ATOM 0 H LEU A 69 1.868 2.769 3.361 1.00 0.00 H new ATOM 0 HA LEU A 69 1.731 2.168 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.313 2.906 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.236 3.842 2.369 1.00 0.00 H new ATOM 0 HG LEU A 69 1.062 5.606 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.584 5.556 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.700 4.258 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.009 3.885 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.109 6.427 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.811 4.812 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.218 5.758 1.716 1.00 0.00 H new ATOM 1113 N VAL A 70 3.800 3.362 -0.006 1.00 0.00 N ATOM 1114 CA VAL A 70 4.953 4.138 -0.433 1.00 0.00 C ATOM 1115 C VAL A 70 4.770 4.553 -1.894 1.00 0.00 C ATOM 1116 O VAL A 70 3.971 3.958 -2.616 1.00 0.00 O ATOM 1117 CB VAL A 70 6.237 3.343 -0.193 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.439 4.033 -0.840 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.473 3.117 1.302 1.00 0.00 C ATOM 0 H VAL A 70 3.692 2.464 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 70 5.038 5.051 0.156 1.00 0.00 H new ATOM 0 HB VAL A 70 6.118 2.367 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.339 3.447 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.276 4.116 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.560 5.029 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.393 2.549 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.560 4.079 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.635 2.561 1.723 1.00 0.00 H new ATOM 1129 N LEU A 71 5.523 5.570 -2.286 1.00 0.00 N ATOM 1130 CA LEU A 71 5.454 6.071 -3.648 1.00 0.00 C ATOM 1131 C LEU A 71 6.349 5.217 -4.547 1.00 0.00 C ATOM 1132 O LEU A 71 7.312 4.612 -4.076 1.00 0.00 O ATOM 1133 CB LEU A 71 5.787 7.563 -3.687 1.00 0.00 C ATOM 1134 CG LEU A 71 4.630 8.518 -3.385 1.00 0.00 C ATOM 1135 CD1 LEU A 71 3.441 8.247 -4.308 1.00 0.00 C ATOM 1136 CD2 LEU A 71 4.237 8.452 -1.908 1.00 0.00 C ATOM 0 H LEU A 71 6.184 6.061 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 71 4.439 5.985 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.586 7.755 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.180 7.801 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 71 4.965 9.536 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.632 8.939 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.747 8.385 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.095 7.223 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.413 9.140 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.927 7.437 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.091 8.732 -1.291 1.00 0.00 H new ATOM 1148 N ARG A 72 6.001 5.193 -5.825 1.00 0.00 N ATOM 1149 CA ARG A 72 6.762 4.423 -6.795 1.00 0.00 C ATOM 1150 C ARG A 72 7.864 5.286 -7.411 1.00 0.00 C ATOM 1151 O ARG A 72 7.722 6.505 -7.509 1.00 0.00 O ATOM 1152 CB ARG A 72 5.856 3.892 -7.908 1.00 0.00 C ATOM 1153 CG ARG A 72 6.672 3.165 -8.978 1.00 0.00 C ATOM 1154 CD ARG A 72 5.760 2.555 -10.044 1.00 0.00 C ATOM 1155 NE ARG A 72 6.320 1.267 -10.513 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.102 0.090 -9.911 1.00 0.00 C ATOM 1157 NH1 ARG A 72 5.337 0.030 -8.813 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.652 -1.027 -10.407 1.00 0.00 N ATOM 0 H ARG A 72 5.202 5.695 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 72 7.209 3.578 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.115 3.213 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.309 4.718 -8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.368 3.862 -9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.270 2.381 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.762 2.399 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.657 3.243 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 72 6.908 1.276 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.920 0.881 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.171 -0.866 -8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.236 -0.981 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.487 -1.923 -9.949 1.00 0.00 H new ATOM 1172 N LEU A 73 8.938 4.621 -7.811 1.00 0.00 N ATOM 1173 CA LEU A 73 10.064 5.312 -8.415 1.00 0.00 C ATOM 1174 C LEU A 73 9.744 5.616 -9.880 1.00 0.00 C ATOM 1175 O LEU A 73 9.911 6.747 -10.334 1.00 0.00 O ATOM 1176 CB LEU A 73 11.352 4.509 -8.220 1.00 0.00 C ATOM 1177 CG LEU A 73 11.226 2.992 -8.368 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.388 2.422 -9.182 1.00 0.00 C ATOM 1179 CD2 LEU A 73 11.098 2.316 -7.001 1.00 0.00 C ATOM 0 H LEU A 73 9.052 3.611 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 73 10.234 6.268 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.090 4.864 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.745 4.726 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 73 10.311 2.778 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.274 1.342 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.391 2.871 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.329 2.647 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.010 1.238 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.982 2.536 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.211 2.692 -6.491 1.00 0.00 H new ATOM 1191 N ARG A 74 9.291 4.585 -10.579 1.00 0.00 N ATOM 1192 CA ARG A 74 8.945 4.728 -11.983 1.00 0.00 C ATOM 1193 C ARG A 74 7.474 5.120 -12.132 1.00 0.00 C ATOM 1194 O ARG A 74 6.906 5.758 -11.247 1.00 0.00 O ATOM 1195 CB ARG A 74 9.200 3.427 -12.748 1.00 0.00 C ATOM 1196 CG ARG A 74 9.821 3.709 -14.117 1.00 0.00 C ATOM 1197 CD ARG A 74 10.818 2.614 -14.503 1.00 0.00 C ATOM 1198 NE ARG A 74 11.368 2.882 -15.851 1.00 0.00 N ATOM 1199 CZ ARG A 74 12.320 3.789 -16.107 1.00 0.00 C ATOM 1200 NH1 ARG A 74 12.834 4.521 -15.109 1.00 0.00 N ATOM 1201 NH2 ARG A 74 12.758 3.964 -17.361 1.00 0.00 N ATOM 0 H ARG A 74 9.156 3.648 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 74 9.576 5.512 -12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.864 2.785 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.262 2.886 -12.874 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.036 3.773 -14.870 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.325 4.675 -14.100 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.626 2.573 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.326 1.641 -14.489 1.00 0.00 H new ATOM 0 HE ARG A 74 10.999 2.342 -16.634 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.500 4.388 -14.154 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.559 5.212 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.367 3.407 -18.120 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.483 4.655 -17.556 1.00 0.00 H new ATOM 1215 N GLY A 75 6.900 4.721 -13.257 1.00 0.00 N ATOM 1216 CA GLY A 75 5.506 5.022 -13.533 1.00 0.00 C ATOM 1217 C GLY A 75 4.784 3.801 -14.107 1.00 0.00 C ATOM 1218 O GLY A 75 3.863 3.271 -13.488 1.00 0.00 O ATOM 0 H GLY A 75 7.375 4.192 -13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.011 5.344 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.442 5.851 -14.238 1.00 0.00 H new ATOM 1222 N GLY A 76 5.230 3.390 -15.286 1.00 0.00 N ATOM 1223 CA GLY A 76 4.639 2.242 -15.951 1.00 0.00 C ATOM 1224 C GLY A 76 5.040 2.197 -17.427 1.00 0.00 C ATOM 1225 O GLY A 76 4.255 1.773 -18.274 1.00 0.00 O ATOM 0 H GLY A 76 5.994 3.832 -15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.959 1.325 -15.455 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.553 2.287 -15.867 1.00 0.00 H new TER 1229 GLY A 76